#DEFINITION	Reference Metabolome for Prunus persica
#IDENTTFIER	RefMeta-Prunus persica.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Prunus persica
#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 Prunus persica 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	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.6424
Annotation	Unknow
Peak:m/z	Relative Intensity
84.80682	0.1
93.83591	0.1
95.55019	0.1
122.17348	0.1
124.88378	0.1
150.65788	0.1
188.28151	0.1
239.81818	0.1
277.21841	0.7
290.18835	0.1
314.72195	0.1
341.68539	0.1
363.26959	0.5
377.28671	0.2
379.30127	1.1
391.30035	0.7
407.29584	0.4
409.31195	2.0
437.30685	3.4
449.30420	0.2
455.31754	51.5
456.32004	1.4
485.32794	100.0
486.33102	2.6
807.96069	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	998.5694
Annotation	Unknow
Peak:m/z	Relative Intensity
73.06870	12.1
80.29073	12.9
84.92139	13.6
98.06854	17.2
115.27875	14.3
127.20553	13.5
144.47495	12.9
277.21722	93.9
278.22079	100.0
279.22385	20.2
865.61774	16.9
1012.98517	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	995.5721
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56796	0.8
78.95897	30.3
80.56771	0.7
96.96938	3.0
106.13173	0.7
152.99603	57.2
171.00639	16.8
191.05658	1.0
227.03300	1.8
245.04330	65.6
253.21770	27.6
409.17404	0.8
471.34985	1.7
481.25775	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	995.596
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03470	0.5
71.01382	12.8
72.99317	0.6
73.02950	2.9
74.07840	0.2
83.00964	0.3
83.01414	1.7
85.02965	3.5
87.00896	3.8
89.02451	11.9
92.10040	0.7
95.01365	0.7
97.02945	2.0
99.00886	0.5
101.02445	10.3
111.12099	0.3
113.02467	5.8
118.51334	0.3
119.03511	3.1
125.02449	4.8
127.03899	0.3
131.03539	0.4
133.05074	0.4
141.13008	0.3
143.03540	1.7
161.04590	2.4
179.05649	3.0
181.37665	0.4
217.07018	0.4
221.06657	1.2
235.08246	4.0
253.09332	0.5
259.20532	0.4
277.21759	100.0
278.22159	1.5
287.07709	0.5
291.23325	0.6
291.28302	0.3
305.08890	0.7
319.22678	0.4
323.09943	0.4
379.12540	6.9
394.68881	0.3
397.13571	27.0
415.14572	5.0
433.43527	0.3
529.13995	0.4
531.97357	0.3
657.35175	1.8
675.36121	3.0
698.30719	0.3
857.48914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33617	0.1
71.01396	0.2
73.72082	0.1
74.74044	0.1
75.00858	0.2
81.03465	0.9
85.02959	0.8
87.00866	0.2
89.02471	0.1
90.72826	0.1
93.03465	0.9
95.01405	0.5
97.02969	0.2
99.00948	0.2
100.11971	0.1
101.02432	0.2
107.05028	0.3
108.02184	100.0
109.02978	16.6
111.00883	0.2
113.02436	0.2
119.05019	0.6
121.02951	7.2
123.00906	0.5
123.04526	1.3
125.02424	0.5
133.02974	1.4
134.03755	1.4
135.00865	0.3
135.02998	0.2
135.04500	2.5
137.02454	0.2
145.02988	0.1
149.06085	0.6
151.04024	2.4
152.01170	69.1
153.01955	20.8
153.02887	0.2
153.03296	0.2
154.02234	0.2
161.02454	0.7
163.03999	2.4
165.01941	1.0
165.05692	0.1
173.04553	0.5
175.04001	0.2
177.05600	0.5
179.03505	0.3
185.06088	0.6
191.03743	0.2
191.05589	0.9
193.05124	0.6
213.05673	0.3
221.04532	1.7
279.08948	0.2
297.06149	0.2
399.12943	0.6
419.09915	84.8
420.10233	3.2
421.10474	0.2
459.12973	0.2
559.14038	0.2
577.15643	2.2
886.05170	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	0.5
69.10842	0.1
97.02932	0.6
107.01368	0.6
125.02444	1.4
135.00867	0.2
151.00375	0.9
205.34062	0.1
241.64757	0.1
242.05977	0.9
268.68314	0.1
406.88297	0.1
469.33286	0.6
487.34387	100.0
488.34702	2.6
509.14517	1.9
538.54498	0.1
951.94159	0.1
997.67645	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	997.6745
Annotation	Unknow
Peak:m/z	Relative Intensity
75.83367	0.7
89.64771	0.6
92.10135	3.3
103.27791	0.7
135.00932	1.0
142.68263	0.8
159.65379	0.8
191.79276	0.8
222.64188	0.7
243.06581	6.3
351.83746	0.7
481.14066	0.8
487.34375	100.0
488.34845	4.3
489.34909	1.5
509.14877	1.0
719.84576	0.8
997.67694	62.4
998.68518	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	997.6762
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38477	0.8
108.67565	0.9
114.83160	0.8
135.50867	0.9
146.19614	0.8
191.05652	1.4
469.33301	8.0
487.34402	100.0
488.34711	1.7
853.03668	1.0
997.67657	73.4
998.69073	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6764
Annotation	Unknow
Peak:m/z	Relative Intensity
87.13560	0.5
94.12511	0.6
96.33803	0.6
99.80308	0.5
108.04597	0.7
148.72238	0.6
171.30133	0.7
315.54980	0.7
487.34396	100.0
488.34778	11.0
489.34964	0.7
781.98450	0.7
846.20557	0.7
997.67670	51.3
998.68439	3.8
1000.32849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.69
Annotation	Unknow
Peak:m/z	Relative Intensity
76.07273	0.7
91.35722	0.7
92.10041	0.9
108.50882	0.7
113.90345	0.8
114.00063	0.7
125.97125	0.7
135.04523	0.6
141.96085	0.6
160.06015	0.7
160.22008	0.8
183.93869	0.7
187.56369	0.7
238.07204	0.7
285.46289	0.7
363.42673	0.7
387.30554	3.3
389.28699	5.6
394.40793	0.8
405.31219	0.8
423.32831	5.7
455.31537	0.8
467.31686	2.8
469.33289	68.3
485.32849	8.7
486.33304	1.5
487.34387	100.0
488.34750	3.9
498.54379	0.8
503.33908	90.5
504.34082	1.5
988.86981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.6923
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72884	0.8
84.71747	0.7
85.99780	0.9
119.34468	0.8
214.01324	1.0
439.28519	1.1
456.30237	1.0
457.29059	1.5
485.32834	7.6
486.26376	1.5
486.33069	14.8
487.34766	100.0
488.34937	1.2
503.33887	45.4
504.34338	5.3
703.92822	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.6741
Annotation	Unknow
Peak:m/z	Relative Intensity
90.36896	0.3
97.21733	0.3
184.22301	0.3
306.25235	0.3
420.10614	0.4
469.33655	3.3
471.31110	6.1
487.34387	100.0
488.34756	4.1
501.32260	14.7
641.74493	0.4
866.07880	0.4
924.14929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.6739
Annotation	Unknow
Peak:m/z	Relative Intensity
88.17536	0.4
92.10099	1.0
99.58030	0.4
100.31371	0.4
129.78352	0.4
181.88654	0.4
191.05481	0.6
275.93567	0.4
278.76483	0.4
453.30252	0.6
485.32819	100.0
486.33200	3.7
487.34476	2.7
488.34875	0.6
501.32495	3.5
503.33939	29.8
578.14301	0.6
812.98730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.7093
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95918	0.3
82.43584	0.2
90.40916	0.2
134.97621	0.2
152.99544	0.2
216.15262	0.2
366.89957	0.3
407.33496	1.8
423.32492	0.2
425.34534	0.7
471.34869	100.0
472.35168	5.3
473.35568	1.8
685.49689	0.2
858.08630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.6879
Annotation	Unknow
Peak:m/z	Relative Intensity
89.33038	0.5
103.27403	0.5
106.46105	0.5
114.48226	0.5
130.08266	0.5
130.96725	0.5
143.45476	0.5
248.30646	0.6
291.62827	0.6
389.28592	0.7
407.29572	0.7
453.30060	1.2
454.30679	2.6
457.32880	0.7
485.32794	1.2
487.34390	100.0
488.34921	6.4
489.34821	0.8
501.32193	4.5
502.32797	5.8
503.33890	94.6
504.34091	2.5
599.30835	0.5
743.75317	0.6
770.30444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.6936
Annotation	Unknow
Peak:m/z	Relative Intensity
76.57620	0.9
77.45956	0.9
79.87829	1.1
86.32912	0.9
86.82002	0.9
91.35503	0.9
92.10825	2.0
97.06653	1.1
116.92878	1.4
215.62830	1.1
389.28784	1.3
391.30225	6.9
405.31866	2.2
407.33325	8.9
451.32086	11.1
453.33853	60.1
471.34918	100.0
472.34616	1.1
825.41650	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
68.75514	1.1
92.55221	1.1
94.15713	1.2
94.55207	1.0
97.93250	1.3
134.99408	7.4
136.97318	2.4
145.77319	1.1
152.05400	1.1
161.06422	9.3
175.65265	1.3
203.05682	2.7
212.78716	1.2
215.05740	2.4
217.07249	100.0
273.04636	1.2
285.13501	51.8
301.16644	47.5
512.13770	1.4
526.14960	7.0
613.19421	2.0
897.47913	2.1
989.40472	42.0
990.41180	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	985.6625
Annotation	Unknow
Peak:m/z	Relative Intensity
94.05736	0.0
100.11506	0.0
163.55157	0.0
189.57813	0.1
232.08405	0.0
277.21655	0.5
284.19162	0.0
395.75409	0.0
397.43375	0.0
469.33432	0.2
470.34183	0.3
471.34857	100.0
472.35187	2.9
472.42014	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.663
Annotation	Unknow
Peak:m/z	Relative Intensity
71.09509	0.0
89.02491	0.0
99.08197	0.0
102.97504	0.0
106.13560	0.0
136.41336	0.0
140.08504	0.0
177.49461	0.0
204.63826	0.0
205.16000	0.2
248.31470	0.0
253.09256	0.3
277.21771	2.3
316.19397	0.0
373.25363	0.1
375.31265	0.0
377.28345	0.1
391.30051	0.1
393.31461	0.3
405.31757	0.2
407.33304	1.7
423.32968	0.3
425.34357	0.4
439.32242	0.2
443.35016	0.0
469.33475	0.1
471.34869	100.0
472.35239	1.4
481.25479	0.0
513.31097	0.1
640.83014	0.0
706.94025	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01401	0.4
72.99307	0.1
77.03986	0.1
83.01375	0.1
85.02946	0.3
92.10734	0.1
93.03441	0.1
99.00898	0.1
101.02409	0.1
108.02153	0.1
113.02472	0.1
117.69635	0.1
119.05028	0.1
121.02954	100.0
122.03254	0.8
125.79903	0.1
131.05054	0.1
135.04564	0.5
149.02429	0.1
151.03926	0.1
159.04503	0.1
163.03995	0.2
181.72862	0.1
189.82980	0.1
191.05602	0.1
205.05084	0.4
229.46233	0.1
368.18073	0.1
373.12744	0.1
417.11972	19.5
418.12241	0.4
442.18445	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	981.5803
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	29.4
73.02954	2.6
85.02973	9.9
87.00873	5.5
89.02442	32.9
92.03022	2.8
95.01393	3.6
97.02972	3.7
101.02466	28.7
113.02449	10.8
125.02460	6.0
161.04578	3.5
235.08293	6.2
236.06084	3.0
263.20209	95.5
277.21747	100.0
379.12405	14.6
397.13675	63.4
415.14560	11.4
420.25482	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	979.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
70.31264	0.6
71.01388	3.2
72.99303	1.0
73.02952	1.4
75.00871	15.1
78.47353	0.7
85.02972	3.1
87.00902	1.5
89.02438	5.1
93.03454	11.1
96.96000	0.6
101.02443	2.8
108.02215	1.1
109.02958	0.9
111.04527	1.0
112.85364	0.7
113.02483	3.1
117.02009	2.3
117.03473	33.6
117.82395	0.7
119.05027	46.4
121.02950	33.7
125.02364	0.9
131.05145	0.7
133.06583	4.3
135.03006	47.9
135.04524	5.9
137.02454	3.8
140.42682	0.7
142.01869	0.7
143.05045	4.0
145.02965	100.0
148.05304	0.7
150.03215	0.7
150.06831	0.9
160.01683	0.7
163.04021	46.9
163.05403	1.5
173.04637	5.2
191.05641	7.9
195.06538	0.9
210.06882	3.3
211.07675	36.1
222.06920	0.9
223.07674	33.4
231.57875	0.7
235.07631	2.7
237.09193	3.7
255.03061	1.4
265.08691	12.4
281.06693	8.9
283.87888	0.7
284.03369	3.0
285.04016	3.4
309.07684	7.3
365.10791	0.7
407.11752	4.0
417.11978	5.5
427.16229	1.1
449.13138	9.2
467.14230	2.9
491.14124	1.2
492.41074	0.8
509.15195	7.8
531.29706	2.9
637.18512	0.9
646.51965	0.9
652.00061	0.9
655.18927	1.4
697.20062	16.8
698.19775	0.8
979.26526	2.8
981.52655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01050	0.4
71.01392	2.7
72.99315	0.9
73.02969	0.5
73.42591	0.3
75.00874	11.7
82.69934	0.4
83.01388	0.6
85.01250	0.4
85.02978	1.8
85.66079	0.4
87.00895	1.6
89.02461	2.0
93.03447	5.7
97.02943	0.5
101.02449	2.0
107.01383	0.4
109.02962	0.6
113.02469	1.5
114.03906	0.4
117.01941	1.8
117.03481	30.2
119.05032	43.7
120.05388	0.4
121.02965	37.4
122.03259	2.0
123.04541	3.9
125.02467	0.9
132.03929	0.4
135.03014	40.7
135.04582	2.5
143.03520	0.9
143.05020	2.5
145.02974	100.0
146.03310	0.7
151.00348	1.0
153.05595	4.8
155.03584	0.5
159.04544	0.6
161.04543	0.4
163.04031	40.9
164.04208	0.5
169.06555	0.4
171.04590	0.9
173.04552	2.4
179.03510	0.5
185.02251	0.4
185.06017	0.6
187.03969	0.6
191.05627	2.5
211.07727	4.8
222.06834	2.0
223.07680	31.7
227.03545	23.4
227.12909	0.5
229.05154	1.7
237.09189	1.7
239.03668	0.5
244.91455	0.4
255.03033	37.7
256.03775	3.4
257.08307	0.4
265.08691	5.7
269.04510	2.0
281.06699	7.5
283.02533	3.0
284.03302	39.4
285.04059	20.0
295.08258	4.6
305.08820	0.8
309.07797	6.9
323.09763	0.5
365.10849	2.0
407.11929	2.5
417.11877	3.8
419.14264	0.5
429.08243	1.9
449.12958	4.7
457.11603	0.6
467.14212	1.7
489.10477	39.5
490.10995	1.9
491.14014	0.4
509.15228	3.5
551.16156	0.8
551.23969	0.8
559.13849	0.4
559.27051	0.5
637.17761	1.6
655.19708	1.8
697.19904	17.9
861.24890	0.5
979.27716	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	979.419
Annotation	Unknow
Peak:m/z	Relative Intensity
68.54530	0.1
71.01389	0.7
72.99315	0.2
75.00869	1.7
85.02959	0.4
87.00850	0.2
89.02473	0.2
93.03453	0.8
101.02427	0.2
107.05042	0.2
117.03461	2.9
119.04238	0.2
119.05034	4.3
121.02957	100.0
122.03280	1.3
132.01970	0.1
133.05092	0.2
135.03000	3.8
135.04536	0.7
143.05028	0.1
145.02969	8.5
149.02419	0.2
159.29962	0.1
161.02440	0.8
163.04015	4.2
170.62956	0.1
179.03528	0.1
191.05592	0.3
193.04944	0.2
205.05151	0.2
211.07690	1.3
222.06992	0.1
223.07677	4.2
235.07845	0.2
237.09312	0.2
265.08737	0.9
281.06677	0.7
296.08777	0.1
309.07715	0.5
417.12000	24.2
418.12411	0.8
427.10330	0.5
449.13043	0.3
499.09396	0.1
509.15274	0.2
697.20270	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03472	0.8
69.36311	0.6
71.01385	20.4
71.05038	1.3
72.99311	1.0
73.02946	3.6
81.03466	0.8
83.01407	3.0
83.05033	1.1
85.02971	5.7
87.00886	5.9
89.02451	16.6
95.01377	0.9
97.02947	7.9
97.06599	1.2
99.00887	14.0
101.02446	16.9
109.06569	0.8
111.04549	0.9
113.02452	10.3
119.03508	5.1
123.08191	1.2
125.02444	10.0
125.09727	15.9
127.03957	0.8
128.38556	0.6
130.72737	0.6
131.03484	0.8
142.02716	1.5
143.03542	1.4
161.04549	3.6
163.11298	9.4
168.33870	0.6
173.69044	0.6
179.05612	2.9
181.12357	24.7
197.56934	0.6
207.10300	57.0
221.06676	1.3
225.11363	90.9
235.08328	6.2
239.12833	1.0
243.12389	18.1
253.55496	0.7
257.14014	14.5
277.21744	77.2
278.21762	0.9
281.87930	0.8
297.19681	0.7
302.06741	0.7
305.08774	0.8
323.09885	0.7
349.45865	0.7
379.12329	4.5
397.13522	21.3
415.14505	3.8
602.59662	0.8
605.24634	21.0
606.24524	1.1
623.25677	11.5
675.35944	1.3
744.73785	0.7
755.75275	0.7
883.47040	100.0
884.47247	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	975.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
68.60820	0.4
69.03459	1.8
71.01380	18.8
71.05029	1.0
72.99295	1.7
73.02953	3.2
75.00864	0.7
81.03475	0.8
83.01414	2.6
85.02953	6.4
87.00872	6.2
89.02437	17.1
92.26133	0.4
95.01366	1.1
95.04994	0.5
97.02945	10.5
97.06610	1.9
99.00879	17.3
101.02437	12.1
109.06585	1.1
110.03762	0.8
110.33896	0.5
111.00923	0.5
111.04520	0.8
111.29461	0.4
113.02453	8.9
119.03515	4.4
123.08170	1.1
125.02445	8.3
125.09721	19.4
135.08148	0.6
136.05315	1.0
139.03996	0.6
142.02747	2.2
143.03537	1.2
153.12956	0.6
154.13049	0.5
156.59119	0.5
160.19380	0.5
161.04576	4.4
163.11279	10.1
172.17741	0.5
179.05620	1.1
181.12349	26.4
181.36176	0.5
197.11844	0.7
199.13463	1.1
207.10295	63.3
221.06718	1.0
225.11351	100.0
235.08136	4.6
239.12851	1.9
242.03474	0.5
243.12392	21.6
253.09331	0.6
257.13980	15.3
263.07751	0.6
277.21756	58.6
287.07562	0.5
299.15201	0.5
317.16141	1.0
379.12515	2.5
397.13550	12.6
415.14682	2.0
605.24719	25.9
623.25732	20.9
675.36108	0.9
883.47119	77.9
884.47101	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	977.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	1.3
71.01379	16.2
72.82697	0.8
73.02961	2.3
79.87469	0.9
81.03469	4.3
83.01386	1.1
83.05008	7.1
85.02966	2.3
87.00883	2.4
89.02451	19.4
92.65626	1.0
95.01428	1.4
97.02976	5.6
98.75438	1.0
101.02464	14.1
111.08180	5.0
111.76055	1.0
113.02467	6.7
119.03510	2.1
125.02450	2.2
137.09766	1.6
143.03535	1.2
159.55217	1.0
161.04608	2.0
163.11281	7.5
165.12862	4.1
166.96941	1.1
171.10323	1.4
179.05615	2.5
179.14273	1.1
181.12285	1.4
191.05661	1.3
191.10837	1.6
197.11888	14.1
209.11870	100.0
211.13469	4.1
227.12877	10.2
235.08237	5.4
247.20741	1.9
287.07867	1.3
291.19659	22.3
305.08759	1.1
309.20779	63.2
379.12631	4.8
397.13580	30.4
415.14569	11.2
447.13403	4.3
461.53613	1.1
607.26270	2.4
649.44391	1.4
671.02747	1.1
707.34955	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	975.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
76.52784	0.2
83.01403	0.5
85.02963	0.4
91.83598	0.2
93.03461	2.6
95.02206	0.2
101.02487	0.4
107.01357	2.1
108.02166	0.4
109.02938	0.3
117.03468	3.5
119.05020	4.4
121.02975	2.5
123.00914	0.3
131.04994	0.3
132.02188	1.1
132.05820	0.5
133.06607	17.3
135.00926	1.0
135.03087	0.4
135.04561	0.6
137.02461	0.4
142.48813	0.2
143.05067	0.4
145.02972	16.9
148.05315	4.0
149.05692	0.5
150.03194	0.3
151.00389	5.1
153.01929	0.4
159.04547	0.6
161.02477	0.3
161.06056	0.5
163.00424	1.4
163.04047	3.5
163.07655	2.6
164.01161	0.6
164.07973	0.3
165.01929	0.3
169.01396	0.3
169.06577	0.4
171.04506	0.6
173.04538	0.9
175.03934	0.3
179.03470	0.3
183.04529	1.1
185.06038	1.8
187.02390	0.2
187.04050	1.6
189.05569	0.5
191.05609	1.5
197.06094	0.5
199.04160	0.6
200.04814	0.4
201.05656	0.3
205.05058	0.3
211.03983	2.7
211.07802	0.4
213.05608	1.5
214.02773	0.3
227.03537	35.9
228.03886	0.4
229.05078	7.6
239.03552	1.7
240.04260	0.4
241.05125	1.3
243.02940	0.3
255.03027	67.7
256.03766	7.8
257.04620	6.3
267.03021	0.5
268.03671	0.3
283.02570	0.6
284.03308	100.0
285.04077	66.5
286.04413	0.6
307.08246	1.0
327.04916	0.4
417.11542	0.4
447.09540	3.0
593.13153	99.1
594.13397	2.2
665.39758	0.3
843.62012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6117
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20096	1.7
71.01379	23.0
72.12800	1.9
73.02934	2.4
74.63136	1.6
74.84639	1.6
82.28127	2.0
83.01389	2.9
85.02962	8.2
87.00859	3.3
88.86172	1.9
89.02441	26.4
92.10786	3.7
101.02441	21.4
113.02458	17.8
119.03517	10.1
125.02468	9.7
161.04657	3.2
183.66782	2.0
235.08197	3.7
246.16605	2.2
255.23309	100.0
277.21759	97.4
344.68759	2.1
379.12482	20.0
397.13504	55.7
415.14624	8.2
635.36908	3.7
653.37762	2.6
660.02057	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	973.6777
Annotation	Unknow
Peak:m/z	Relative Intensity
72.77666	0.1
73.38686	0.1
89.21858	0.1
92.32394	0.1
92.66082	0.1
102.20670	0.1
124.49655	0.1
137.02469	0.1
377.28531	0.1
379.29675	0.3
391.30252	0.3
407.29678	0.8
409.31161	1.3
421.31070	0.2
439.32349	0.2
441.33554	0.2
473.32785	2.0
485.32828	100.0
486.33170	7.5
487.34363	71.4
488.34644	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
73.58195	21.2
81.25033	20.9
277.21799	100.0
289.88617	25.4
331.20761	24.9
929.61383	26.2
971.54651	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
68.49004	0.9
69.03452	7.0
71.01382	20.1
72.99327	1.1
73.02966	4.4
83.01390	2.1
83.05019	1.3
85.02967	5.5
87.00899	5.8
89.02454	17.2
95.01396	1.9
97.02932	10.1
99.00896	1.5
101.02435	18.1
105.50823	0.9
110.75092	1.0
113.02451	7.7
116.08804	1.0
116.92867	4.9
119.03513	4.9
123.08157	4.8
125.02469	6.6
125.09744	2.1
135.11823	1.5
136.05321	1.9
142.02733	1.3
143.03546	1.7
149.06123	2.0
149.09816	1.0
151.11351	1.4
161.04535	2.3
161.09744	5.9
171.74904	0.9
177.09062	1.3
179.05637	0.9
179.10793	37.8
179.20102	1.0
197.11847	21.2
205.08714	5.6
223.09782	48.7
226.43419	1.1
235.08217	5.0
241.10829	7.1
255.12424	3.7
277.21753	74.3
287.07742	1.7
379.12442	1.8
397.13541	24.4
415.14648	4.1
482.71503	1.1
531.34741	1.0
549.62567	1.2
603.22998	12.8
621.23779	6.5
675.35852	4.5
764.98907	1.1
881.45557	100.0
882.45215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03125	0.8
69.03456	8.5
71.01383	21.2
71.05032	3.1
72.99355	0.7
73.02952	4.0
81.03441	0.9
81.80307	0.6
83.01384	1.4
83.05071	0.7
85.02956	5.9
87.00901	4.4
89.02441	17.6
89.02930	0.9
95.01413	1.7
95.05028	1.2
97.02936	9.5
97.06567	1.2
99.00905	1.3
99.92576	1.0
101.02444	16.7
109.02977	1.0
111.04482	0.9
113.02446	9.4
114.39374	0.7
116.92859	6.5
119.03514	4.2
121.03008	0.8
123.04533	1.1
123.08157	8.1
125.02452	5.3
125.09717	4.6
126.40737	0.7
129.81036	0.7
135.11833	1.2
136.05302	3.8
137.09763	1.4
143.03522	1.6
145.64519	0.7
146.97208	0.6
149.06085	4.0
149.09758	1.2
151.11304	1.8
153.12791	1.1
157.81306	0.8
161.04590	1.5
161.09801	6.5
177.09236	1.3
179.05623	1.5
179.10782	45.9
179.12379	1.5
197.11864	38.8
205.08748	10.2
211.13295	0.9
214.41159	0.8
221.06662	1.4
223.09778	57.9
225.11356	0.7
235.08255	4.4
241.08699	1.1
241.10764	8.3
255.12372	4.8
265.10916	0.9
277.21747	55.7
297.13474	0.9
379.12399	2.9
397.13614	12.2
415.14575	3.5
581.37231	0.8
603.23022	22.1
621.23950	18.9
711.45544	0.8
777.42804	0.8
881.45575	100.0
882.45319	1.2
906.06116	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.608
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95907	24.9
96.96989	1.4
114.41038	0.7
120.75047	0.6
152.99599	54.2
171.00662	17.4
227.03305	1.5
245.04340	62.9
253.21758	21.6
471.35071	0.8
481.25781	100.0
482.26266	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.648
Annotation	Unknow
Peak:m/z	Relative Intensity
79.26566	0.9
90.38284	1.0
94.92957	1.0
95.25359	1.0
117.03491	19.8
119.05027	9.4
121.02969	4.4
145.02974	97.6
158.56256	1.0
422.15292	1.3
506.86652	1.3
617.38611	100.0
618.39349	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	1.9
69.03448	0.5
70.11234	0.1
71.01379	1.5
77.03979	0.1
81.03460	0.4
83.05030	0.6
85.02967	0.2
87.00881	0.1
93.03456	15.2
94.03794	0.1
99.00852	0.1
99.04523	0.1
109.02958	0.6
111.00886	0.7
111.04528	3.5
113.02450	0.3
115.04009	0.1
121.02954	21.0
122.03297	0.3
127.04010	0.3
129.01950	0.1
133.03000	0.6
133.25739	0.1
135.04529	0.4
137.02449	4.4
142.20859	0.1
153.61641	0.1
155.03520	4.4
161.02472	0.8
173.04564	100.0
174.04887	0.7
179.03493	0.3
191.05632	0.1
209.11758	0.1
226.64281	0.1
295.08270	40.9
296.08722	0.5
335.07880	0.5
455.09601	0.2
457.11432	2.1
469.63864	0.1
587.05847	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	969.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
68.61685	0.1
70.83092	0.1
71.01401	0.3
78.82955	0.1
81.18681	0.2
85.02971	0.2
88.11262	0.1
93.03468	0.2
100.53358	0.2
108.02174	0.3
109.02962	0.2
111.85265	0.1
121.02957	100.0
122.03293	3.8
123.03451	0.6
135.04538	0.3
137.02484	0.2
149.02429	0.2
151.04149	0.2
152.01198	0.2
163.04036	0.2
183.13640	0.2
191.05568	0.2
205.05086	0.2
213.49612	0.2
250.29709	0.1
256.34955	0.1
281.12790	0.2
417.11993	18.4
418.12207	1.7
419.12735	0.3
424.74155	0.2
551.21698	0.3
808.98499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.686
Annotation	Unknow
Peak:m/z	Relative Intensity
73.51500	0.2
85.62836	0.2
99.39150	0.3
139.04248	0.2
171.10248	0.4
209.11845	0.3
277.21851	0.4
311.16873	0.5
393.31787	0.3
407.33231	2.7
408.90482	0.3
425.34354	0.4
471.34866	100.0
472.35416	1.7
483.59293	0.3
550.21698	0.3
557.03430	0.3
907.72375	0.3
965.68671	65.8
966.69690	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	965.6857
Annotation	Unknow
Peak:m/z	Relative Intensity
68.63991	0.5
69.16781	0.4
78.91872	2.5
92.10070	1.0
98.08142	0.5
103.92842	0.5
214.84518	0.6
217.23967	0.6
394.46945	0.6
435.86737	0.5
471.34854	100.0
472.35272	2.7
487.12231	0.5
517.76385	0.5
529.99213	0.6
965.68671	64.0
966.68878	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	965.6847
Annotation	Unknow
Peak:m/z	Relative Intensity
83.89795	0.3
92.10057	1.1
114.63593	0.3
116.38180	0.3
127.12193	0.3
129.88345	0.3
171.10214	0.7
183.03647	0.3
277.21725	1.5
278.22113	1.3
397.13242	0.5
471.34879	100.0
472.35233	3.3
481.79968	0.3
514.73499	0.4
816.61609	0.4
870.09363	0.4
965.68665	80.3
966.69049	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	1.1
72.16536	0.2
72.69157	0.2
73.02903	0.2
75.00858	0.2
81.03461	0.5
85.02974	0.5
88.68226	0.2
89.02431	0.3
92.10782	0.8
93.03458	2.6
95.01432	0.3
101.02467	0.2
107.05025	0.3
108.02184	70.3
109.02979	11.9
117.01958	0.8
117.03495	0.8
119.05029	100.0
120.05363	0.5
121.02959	7.8
123.04520	1.1
133.02957	0.9
133.06532	0.2
134.03746	0.3
135.03008	0.3
135.04530	1.3
151.00316	0.2
151.04086	1.5
152.01170	48.8
153.01955	13.9
161.02464	0.2
163.04027	65.8
164.04346	0.9
165.01973	0.4
173.04570	0.5
185.06079	0.3
191.05617	1.2
193.05009	0.2
195.03085	0.2
195.08231	1.9
197.06047	0.5
197.09666	0.2
223.07683	17.5
224.07979	0.3
285.04016	0.2
419.09930	37.4
420.10229	1.4
429.11984	38.4
430.12265	1.1
451.31479	0.2
468.54672	0.2
472.33304	0.2
547.14691	21.2
548.15039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6861
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87357	0.4
78.91891	2.7
78.95910	0.5
86.06236	0.4
97.69840	0.4
98.82249	0.4
120.09478	0.4
152.99554	0.6
162.08951	0.4
192.61578	0.6
255.23302	0.6
260.65695	0.4
302.66025	0.5
423.32669	1.9
471.34879	100.0
472.35480	3.0
965.68652	68.9
966.68738	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	963.6881
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01921	0.5
71.01392	2.0
75.00867	0.6
81.03462	6.7
83.05032	19.5
85.02988	1.1
87.00873	1.0
93.03466	5.0
99.00891	0.5
100.07681	0.4
108.02218	0.7
109.02980	0.9
113.02493	0.7
119.03518	0.5
119.05044	2.3
121.02963	4.5
123.04556	0.7
125.07245	0.7
126.54810	0.5
135.04523	2.5
137.02501	2.5
145.02979	0.9
149.06049	0.7
151.04053	0.5
152.01204	0.8
153.01961	0.7
158.71400	0.6
163.04007	2.3
173.04613	3.0
179.03529	0.5
191.05637	9.1
192.05933	0.6
194.05415	0.5
207.15131	0.9
224.17641	4.5
225.16132	16.1
225.18301	0.8
255.03149	1.0
271.02524	0.6
272.64810	0.5
284.03311	1.0
285.04095	3.9
299.01935	0.9
300.02643	0.8
301.03564	0.9
309.21820	1.2
333.23135	0.9
341.29269	1.1
367.27393	0.9
387.01987	0.5
433.31854	2.3
450.34430	2.1
451.32996	13.7
461.28864	0.5
550.43671	0.6
567.45715	0.8
639.76361	0.6
677.49847	3.3
737.26776	0.7
767.58411	0.6
776.61011	0.9
885.66107	0.9
903.66724	100.0
904.67749	3.9
963.31616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01904	0.5
71.01402	2.2
83.01405	0.9
83.05062	0.4
85.02966	9.2
87.00884	2.2
89.02441	0.7
92.10126	0.6
93.03456	8.1
99.00884	0.5
101.02438	1.0
107.01390	5.1
109.02985	3.3
111.04552	1.1
113.02453	1.1
119.05004	1.1
121.02964	6.5
125.02481	0.7
127.04069	1.1
133.02963	3.0
134.03793	0.8
134.77119	0.5
135.03021	0.8
135.04539	17.7
137.02499	0.9
145.03000	2.0
147.04497	1.7
149.02515	0.7
151.00394	20.2
152.20027	0.5
159.04507	1.1
161.02451	9.6
163.00383	2.5
163.04048	0.8
169.01408	1.1
173.04597	4.0
175.04022	0.8
178.99918	10.3
179.03514	16.6
191.05640	100.0
192.05981	1.7
211.03886	1.4
227.03546	11.8
227.07236	2.4
229.05122	0.6
239.03491	0.5
239.07118	0.5
243.02948	3.7
245.04633	0.7
251.07152	0.5
253.08728	0.6
255.03021	21.3
256.03552	1.8
270.99649	0.7
271.02524	18.3
272.03055	1.0
273.03903	0.9
283.02585	1.0
284.03323	13.0
285.03925	3.6
299.02060	1.2
300.02792	41.2
301.03604	43.7
302.03952	0.8
353.08887	16.1
359.88535	0.5
447.09464	15.0
448.09769	0.8
463.09024	6.0
464.09238	0.4
515.11786	0.6
609.12848	2.8
661.18250	2.3
770.51959	0.5
771.14862	0.6
789.17157	0.5
963.21979	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	963.221
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	0.4
70.67972	0.3
71.01400	1.8
81.03486	0.4
83.01414	2.0
85.02948	8.9
85.03376	0.5
87.00858	2.9
89.02456	0.8
93.03458	8.0
95.01398	0.3
97.02940	0.4
97.81979	0.4
99.00837	0.4
101.02470	1.3
107.01400	4.7
108.02230	0.6
109.02968	2.7
111.00923	0.4
111.04543	2.0
113.02457	0.4
117.03507	0.6
119.05023	2.0
121.02950	7.4
125.02451	0.6
127.04018	2.1
133.02979	3.7
134.03726	1.4
135.03041	0.8
135.03526	0.4
135.04532	7.1
137.02440	1.5
143.04990	0.4
145.02954	3.8
146.03661	0.5
147.04514	1.5
148.01634	0.4
149.02441	0.7
151.00389	24.4
152.01173	0.5
153.01941	0.4
155.03554	0.5
161.02441	8.5
163.00404	2.0
163.04033	1.9
164.01135	0.5
165.01840	0.4
169.01440	2.1
171.03151	0.4
171.04543	0.4
173.04604	3.0
173.05888	0.4
174.03360	0.4
175.04016	0.7
178.99878	11.5
179.03464	4.1
179.05055	0.4
185.05931	0.4
191.05640	100.0
192.06003	0.8
193.01274	0.4
198.03069	0.4
199.04178	0.3
201.05637	0.4
203.03416	0.6
211.04079	1.2
214.70525	0.4
216.04326	0.4
226.02788	0.4
227.03577	3.2
227.07138	0.6
229.01396	0.4
229.05089	1.4
239.07179	0.4
243.03001	5.1
245.04579	1.4
251.07167	1.4
253.08624	0.7
254.02187	0.8
255.03026	17.5
255.05760	0.6
255.10243	0.6
265.05051	0.5
270.25906	0.4
271.02533	27.1
272.03171	2.0
273.03970	0.7
279.06619	0.7
280.07278	0.3
281.08249	1.6
283.02545	2.0
284.03372	2.7
285.04105	3.6
299.02066	2.1
300.02811	58.5
301.03586	56.1
302.03830	2.2
323.05670	1.8
325.07181	0.6
353.08813	1.9
379.71283	0.3
413.14490	0.5
459.09784	0.4
463.09000	9.1
464.09308	0.4
549.30750	5.8
550.31134	1.4
593.15234	3.3
594.15344	0.4
609.12817	5.9
625.11945	0.7
637.77167	0.4
661.17633	3.4
733.83496	0.4
771.15436	1.5
789.16632	0.8
963.21936	21.9
964.22870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.6991
Annotation	Unknow
Peak:m/z	Relative Intensity
72.68763	0.5
82.43053	0.5
87.53963	0.5
92.10222	0.8
92.63467	0.5
116.89346	0.6
135.15930	0.5
152.25952	0.6
195.48727	0.6
254.79503	0.7
277.21848	2.1
298.14127	0.6
345.39334	0.6
471.34894	100.0
472.35205	11.4
473.35709	3.5
485.32492	0.9
486.33075	0.9
487.34186	3.3
591.60052	0.8
601.86700	0.7
672.35046	0.8
757.71460	0.7
856.64984	0.9
932.02728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.6994
Annotation	Unknow
Peak:m/z	Relative Intensity
96.05081	0.5
111.66549	0.4
115.13819	0.4
115.15952	0.4
152.35489	0.4
186.31792	0.4
407.33185	0.9
471.34973	24.7
487.34384	100.0
488.34796	3.3
633.54486	0.4
790.83582	0.4
793.54846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57380	0.2
71.01401	0.4
72.00922	1.1
73.02966	0.3
74.02499	1.8
78.98936	0.2
82.06644	0.9
82.49066	0.3
84.04558	0.2
85.02961	0.4
87.00893	0.3
87.05648	8.4
88.04047	0.8
89.02470	0.2
93.03472	4.2
98.01234	0.3
98.06112	0.3
101.02412	0.3
106.04279	0.3
107.05051	0.9
108.02185	0.9
109.02969	0.9
110.02502	1.7
111.02034	0.4
111.05647	1.0
112.02802	0.4
112.04063	1.2
113.07184	0.3
115.08789	19.5
116.07172	0.4
117.03475	0.3
119.05033	9.9
121.02951	1.0
125.03619	0.4
125.07212	1.1
126.05625	1.1
127.04107	0.2
127.05112	0.3
127.08777	1.2
128.07166	0.8
129.06715	7.2
129.10338	2.3
130.05119	0.4
130.08725	0.3
133.05264	0.4
134.03741	0.2
134.06143	3.8
135.04529	0.3
136.07706	1.1
137.02493	0.3
137.07147	0.2
137.09792	0.2
137.10808	0.2
139.08794	0.2
141.05614	0.5
141.06720	14.1
141.10382	0.4
143.08258	0.4
145.02960	2.5
149.00629	0.3
150.05589	0.3
151.00473	0.3
152.01103	0.5
153.01976	0.9
153.06731	0.5
153.10371	1.1
155.08304	2.7
155.11929	7.3
162.05592	0.3
163.04042	6.2
163.08803	0.5
164.07191	0.4
165.13998	2.6
167.08325	1.4
169.09834	0.3
171.11417	0.3
173.04582	0.8
173.09355	3.2
180.06688	23.3
180.11440	0.8
181.07117	0.3
181.09862	0.3
191.05650	6.0
192.53223	0.2
193.13536	0.3
197.12976	1.1
208.14589	0.5
209.13007	7.7
211.07639	0.2
211.14494	0.4
218.06979	0.3
219.15111	2.2
222.12514	1.9
222.16029	0.2
224.10475	0.3
226.15738	0.2
227.03609	1.4
229.05093	0.5
233.13086	1.9
235.14560	13.2
236.17775	0.9
240.13602	0.9
245.09340	0.7
255.02998	2.2
257.04608	0.9
261.12442	1.9
262.15659	0.3
263.13956	0.2
271.02640	0.3
278.18790	1.0
279.10577	0.5
279.13565	12.8
284.03345	2.9
285.04099	7.3
286.04382	0.3
322.17728	0.4
329.18799	1.3
330.14642	5.6
334.30453	0.2
346.21497	3.8
348.22882	0.3
373.20096	1.1
374.13522	0.5
374.24704	0.5
382.20917	0.3
383.22678	0.2
390.20413	2.5
397.20889	0.2
417.19583	0.3
417.25394	0.8
484.19565	0.3
497.53189	0.2
503.25244	100.0
504.25418	3.0
593.12726	0.4
613.18115	0.3
704.20758	0.3
961.23663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.6836
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	0.5
101.02472	0.5
109.70730	0.3
171.10233	0.4
212.48070	0.4
226.76532	0.4
229.13857	0.4
277.21777	2.4
307.74661	0.4
336.13531	0.4
397.13669	0.5
399.06589	0.4
437.30768	0.9
455.31726	19.6
469.33203	0.4
471.34863	100.0
472.35104	3.9
476.00699	0.4
485.32797	57.1
486.33182	1.6
771.69629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	63.4
71.62764	6.4
77.26245	6.0
89.02450	37.1
95.71082	6.0
97.02949	10.9
101.02469	31.5
113.02480	11.7
116.92860	8.2
119.03432	7.4
125.02447	11.8
159.75038	6.7
161.04579	6.3
163.11382	8.6
171.10313	79.5
179.05621	8.3
199.09782	35.6
201.11386	100.0
207.10283	51.7
225.11337	59.4
235.47246	6.7
243.12451	7.0
243.27853	6.1
277.21759	99.9
360.50421	7.3
365.76385	6.5
379.12589	9.1
397.13681	75.0
407.43735	6.1
415.14520	10.2
452.21594	6.2
469.33044	6.9
485.32663	9.8
554.51282	6.8
623.25409	11.9
857.45959	44.1
883.46558	42.7
901.47992	26.1
919.49310	92.9
953.24530	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	955.5496
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03472	1.3
70.37150	1.2
71.01397	13.0
71.04463	0.9
72.92545	1.0
73.02974	1.1
81.03455	1.3
83.01396	2.0
83.05034	2.5
85.02982	2.3
87.00896	1.7
89.02448	19.0
97.02954	1.3
99.00919	1.2
101.02441	15.1
113.02481	9.5
116.92785	1.3
119.03487	4.8
125.02438	5.4
132.98038	1.1
143.03546	1.7
161.04567	4.0
163.11292	2.4
165.12868	2.1
188.73131	1.1
209.11868	100.0
221.06523	1.3
227.12906	10.8
235.08167	4.8
255.23329	63.0
305.09000	1.5
379.12445	15.6
397.13559	37.8
415.14581	6.8
455.35391	5.8
463.17325	1.3
575.18530	1.2
589.25378	4.2
607.26471	2.5
620.55908	1.3
635.36591	5.0
653.37738	7.3
658.30804	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
67.45364	0.1
71.01401	0.6
72.99305	0.1
73.02961	0.1
82.81135	0.1
85.02985	0.5
89.02481	0.1
93.03444	0.6
95.01455	0.1
101.02466	0.4
111.04592	0.1
119.05087	0.1
121.02962	100.0
122.03304	1.2
123.03439	0.1
135.04524	0.6
149.02414	0.1
158.50403	0.1
161.02544	0.1
163.03986	0.1
171.23294	0.1
171.37219	0.1
173.04536	0.5
191.05585	0.2
205.05110	0.4
274.23596	0.1
301.31586	0.1
311.00186	0.1
373.15012	0.1
373.26019	0.3
417.11984	26.7
418.12109	0.7
419.12659	0.3
535.31427	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	11.7
72.32393	5.1
89.02450	6.2
93.03428	6.4
96.18523	5.5
97.02927	6.3
101.02432	8.5
121.02927	8.6
145.43306	5.2
197.11841	8.9
209.11836	93.6
211.13383	6.2
227.12914	34.2
291.19629	25.8
309.20758	96.0
314.93164	6.4
397.13501	54.7
411.27911	6.4
415.14484	8.3
707.34308	7.6
953.45447	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	953.5338
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	1.0
71.01384	21.5
71.05035	1.9
73.02971	4.3
73.27814	1.0
83.01421	1.6
85.02967	5.7
87.00890	4.8
89.02444	22.1
95.01398	1.9
95.87703	1.0
97.02929	11.2
97.06577	1.5
99.00873	17.5
101.02435	18.3
111.04526	1.4
113.02450	8.5
116.92851	2.2
119.03490	5.8
123.08199	1.2
125.02435	6.1
125.09725	16.7
135.08099	1.3
136.45499	1.6
142.02753	1.4
143.03542	2.4
163.11331	8.8
179.05600	2.1
181.12361	18.7
199.13370	1.4
202.65067	1.0
207.10298	50.9
221.06784	1.5
225.11354	86.8
225.59824	1.0
235.08202	4.3
243.12369	15.2
255.23328	89.0
257.13940	14.3
303.32501	1.1
379.12024	3.6
397.13596	18.0
415.14526	2.6
464.04794	1.5
605.24603	21.5
623.25476	9.2
653.37933	1.4
689.55676	1.3
861.48694	100.0
862.49384	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	951.5556
Annotation	Unknow
Peak:m/z	Relative Intensity
68.41347	1.1
71.01387	14.9
73.02969	1.5
81.03475	2.2
83.05046	4.3
83.99688	1.0
84.02199	1.3
85.02970	4.4
87.00893	1.8
89.02433	18.6
92.10744	1.8
97.02953	2.1
101.02464	15.3
101.98255	0.9
107.61221	1.0
110.63907	1.2
113.02464	9.7
113.03131	1.1
119.03513	4.6
125.02473	5.2
134.21161	1.2
143.03465	1.2
161.04626	1.7
163.11365	3.7
165.12846	2.3
179.05688	1.4
199.17229	1.0
209.11877	100.0
227.12929	9.4
235.08215	4.6
250.14995	1.0
255.23315	5.8
274.20731	1.3
283.26474	62.7
301.91718	1.2
304.57199	1.0
305.08606	1.4
374.24625	1.2
377.65436	1.0
379.12518	9.6
397.13599	37.9
397.18893	1.3
409.73422	1.0
415.14438	8.2
422.90320	1.2
589.25037	1.6
607.26105	1.7
663.40021	1.3
681.40967	4.0
859.46838	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	951.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
75.89699	15.0
89.02454	19.1
92.10771	18.3
106.41303	17.0
175.49582	16.4
195.14989	17.9
225.11441	67.1
257.13779	21.6
277.21826	39.7
322.67239	19.1
514.49133	18.8
549.58142	19.0
605.24396	31.3
623.25610	33.7
627.65454	20.4
826.49200	20.0
882.65265	21.5
883.46692	100.0
951.47754	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
70.21605	14.4
71.01379	17.7
89.02459	19.2
118.81584	15.0
166.52675	15.9
207.10204	29.5
225.11363	71.1
257.13736	17.3
277.21744	68.7
393.64172	17.1
397.13605	26.5
474.67084	19.1
883.47186	40.1
951.47034	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	951.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03477	6.5
71.01389	24.8
71.57619	1.6
73.02962	1.8
79.31861	1.4
85.02975	2.6
87.00908	2.5
89.02441	22.7
96.93362	1.5
97.02978	8.8
101.02439	17.7
113.02465	9.7
119.03514	3.3
123.08205	5.9
125.02457	7.0
125.09681	2.6
136.05270	2.3
140.90015	1.5
149.06126	2.5
156.25183	1.6
162.24225	1.6
179.10805	34.2
197.11909	20.8
205.08740	9.2
216.45432	1.9
221.06723	2.7
223.09781	45.6
235.08257	2.8
241.10800	5.7
245.43483	1.7
255.23323	92.6
337.36053	2.1
379.12418	1.9
397.13519	21.0
415.14459	2.3
603.22681	11.6
621.24139	2.5
653.37500	6.9
721.54785	1.9
859.47125	100.0
860.47351	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	949.5394
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	17.3
75.65110	1.1
83.01400	1.5
83.05032	3.3
85.02977	3.2
87.00893	2.8
89.02445	18.6
97.02937	1.9
100.28986	1.3
100.82819	1.4
101.02447	15.7
113.02478	9.5
119.03447	1.8
122.51919	1.5
125.02431	2.8
137.09917	1.3
143.03496	1.4
161.04509	2.1
163.11302	1.7
165.12816	2.0
179.05615	2.0
179.28145	1.4
193.35043	1.4
209.11868	100.0
227.12827	8.2
235.08185	2.5
281.24905	74.0
379.12750	12.7
383.53958	1.3
397.13583	37.2
407.19577	1.5
415.14572	9.1
550.55048	1.5
566.56897	1.4
589.25806	2.7
679.39532	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	948.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15306	6.0
71.01392	14.0
92.10043	15.1
100.83878	6.6
101.02481	13.9
108.57536	8.4
112.52209	8.1
125.09695	7.6
180.01688	7.6
209.11794	76.0
210.12222	40.3
211.12479	8.7
261.18362	7.5
264.91821	7.4
269.63156	9.8
277.21796	33.2
278.22000	10.3
378.87912	8.2
397.13577	10.0
471.34955	43.4
472.35193	83.6
473.35559	100.0
474.35870	86.2
475.36115	18.3
673.84186	8.5
781.42767	9.2
929.23694	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	948.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	7.5
71.10257	4.1
72.53674	4.5
90.12183	4.3
92.10028	11.2
92.66972	5.6
111.95103	4.8
209.11871	59.3
210.12274	31.9
211.12346	7.0
220.55302	4.8
277.21640	9.0
286.42767	5.1
290.57037	6.5
321.17953	5.0
332.20847	5.5
397.13052	6.6
398.13864	7.2
409.33371	5.2
471.34595	45.8
472.35229	81.0
473.35568	100.0
474.36005	58.9
475.36066	28.3
625.51318	6.4
754.02014	6.3
808.37115	5.8
924.17688	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	946.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
66.83330	8.1
71.01389	18.6
75.61865	7.8
80.61378	8.2
89.02442	33.7
97.02949	13.2
101.02448	30.7
109.06606	48.0
110.06939	8.6
113.02449	13.7
116.92835	13.7
145.30916	8.1
152.34497	8.1
156.76817	7.9
163.11366	8.5
164.11717	9.6
207.10332	100.0
208.10690	12.1
225.11389	48.8
226.11641	10.1
227.12808	9.9
228.13162	8.1
277.21750	51.4
278.22021	35.4
397.13562	15.3
398.13864	13.4
399.14429	9.8
461.33817	9.0
506.97638	9.5
528.49823	10.0
574.09943	9.4
781.80530	9.7
788.11719	10.8
885.47333	16.8
886.48083	71.2
952.58228	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	947.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68818	0.3
67.01895	1.4
69.03480	0.5
71.01403	0.9
73.02956	0.3
83.01403	2.4
83.05016	0.4
85.02956	5.6
87.00882	2.4
87.64521	0.3
89.55274	0.3
91.01920	0.4
91.77575	0.3
93.03455	12.2
93.04021	0.6
93.14811	0.4
104.88719	0.3
107.01394	9.2
108.02187	1.7
109.02932	3.3
111.04570	2.0
117.03471	2.1
119.01494	0.5
119.05026	6.8
121.02960	9.0
125.02412	0.3
127.04007	1.5
135.00948	0.4
135.04512	0.6
142.04500	0.3
145.02977	8.5
148.01715	0.8
149.02464	0.8
151.00388	42.0
153.01962	0.5
155.03476	0.5
159.04515	0.8
161.04683	0.4
161.06061	0.5
163.00385	5.2
163.04013	5.3
164.01152	1.7
167.04927	0.3
169.01366	2.5
173.04533	4.1
174.03152	0.4
177.05574	0.4
178.99870	22.0
187.03984	0.7
190.02867	0.4
191.05634	68.9
192.00652	0.6
193.01367	0.5
199.04065	0.8
201.05667	0.8
203.03548	0.5
205.05075	0.4
211.03961	2.4
211.07657	1.5
215.03586	0.6
216.04236	0.5
223.07701	1.9
227.03598	3.7
229.05096	1.9
243.03046	9.4
245.04567	2.8
254.02275	2.0
255.03033	28.4
256.03754	0.4
257.04584	0.9
271.02527	46.1
272.03308	2.7
273.04138	3.2
283.02518	2.5
284.03305	0.8
285.03998	0.8
292.84424	0.4
299.02090	2.4
300.02798	100.0
301.03577	91.6
337.09146	0.5
343.04361	0.4
447.09702	1.7
463.08926	14.8
466.57739	0.4
546.75861	0.4
609.12494	7.0
645.18347	1.7
667.12347	0.4
773.17743	3.9
811.43512	0.4
947.22614	37.8
948.22577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75762	0.6
71.01385	14.4
73.02964	1.7
81.03465	1.5
82.32540	0.7
83.01390	1.1
83.05066	4.3
85.02972	3.5
87.00881	1.6
89.02440	13.8
92.10722	0.8
97.02965	1.9
101.02435	10.7
113.02445	7.1
119.03508	4.0
125.02445	3.7
143.03491	1.4
145.02968	2.8
158.16278	0.8
160.32298	0.7
161.04546	1.8
163.11278	4.1
165.12849	1.6
179.05600	1.5
209.11870	100.0
217.07098	0.9
221.06699	1.4
227.12889	8.8
235.08211	5.7
243.12419	0.8
253.09108	1.0
277.21768	54.1
305.08679	1.0
379.12576	6.9
380.57892	0.9
397.13553	31.0
410.14999	0.8
415.14676	5.3
471.34915	15.4
472.35187	17.9
473.35571	4.5
607.26080	1.2
618.38641	1.0
633.38220	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.7041
Annotation	Unknow
Peak:m/z	Relative Intensity
68.95109	0.1
78.50680	0.1
85.66521	0.1
88.47440	0.1
99.91666	0.1
102.87527	0.1
179.85378	0.1
187.21414	0.1
377.28448	0.2
393.31601	0.5
405.31625	0.2
423.32901	0.8
471.34872	100.0
472.35214	3.2
630.46906	0.1
773.85553	0.1
824.81805	0.1
938.14185	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.7039
Annotation	Unknow
Peak:m/z	Relative Intensity
72.43783	0.1
88.24447	0.1
100.87238	0.1
160.38693	0.1
160.40038	0.1
246.33386	0.1
265.37643	0.1
393.31757	0.3
405.31927	0.1
407.33292	1.3
423.32779	0.2
424.88541	0.1
425.34305	0.3
471.34875	100.0
472.35245	3.3
473.35349	0.3
494.11752	0.1
501.83923	0.1
657.25269	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.704
Annotation	Unknow
Peak:m/z	Relative Intensity
73.69946	0.2
78.44893	0.2
89.38746	0.2
89.73858	0.2
94.67355	0.2
96.20463	0.2
144.12526	0.3
158.65356	0.3
174.69189	0.3
191.74683	0.3
263.61987	0.3
471.34879	100.0
472.35202	3.3
730.07257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.7042
Annotation	Unknow
Peak:m/z	Relative Intensity
72.81337	0.3
78.27377	0.3
82.13325	0.3
100.11978	0.3
113.21080	0.3
145.02925	0.4
157.22311	0.3
173.06940	0.3
207.10280	0.7
225.11415	1.3
471.34869	100.0
472.35217	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	943.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	2.0
71.01385	23.5
72.99321	2.2
73.02953	3.6
74.42580	0.4
75.00876	0.5
80.02681	0.5
80.76295	0.6
81.03476	3.7
83.01420	2.1
83.05048	2.7
85.02950	6.3
87.00429	0.7
87.00871	5.3
89.02447	20.4
90.03416	0.5
92.10092	1.5
93.03491	1.1
93.86625	0.5
95.01409	1.9
95.05046	0.7
97.02951	13.0
99.00902	3.2
101.02451	19.3
106.04297	0.7
107.05040	0.7
109.06598	26.0
110.03761	2.0
111.04552	0.8
113.02452	11.2
117.15834	0.4
117.37122	0.5
119.03533	5.0
121.06596	2.0
123.04537	0.6
125.02449	6.5
125.09704	0.6
129.58403	0.5
131.03493	0.8
135.08157	4.8
136.05310	2.3
139.04037	0.6
141.01884	0.8
142.02705	2.5
143.03529	2.7
151.28430	0.5
161.04559	4.4
161.09689	2.0
163.11305	19.7
179.05630	2.1
179.10851	2.0
181.12407	4.9
189.09273	0.7
207.10304	100.0
209.11877	2.5
221.06677	1.2
225.11354	36.6
235.08231	5.2
243.12379	1.2
255.23343	0.8
263.21713	0.5
277.21762	68.4
281.14078	0.5
287.07693	0.8
299.15012	2.2
305.08707	1.8
323.09628	0.8
379.12531	4.7
397.08246	1.1
397.13541	34.6
415.14673	10.3
587.24036	1.1
605.24683	5.1
623.25641	3.9
675.36322	2.4
865.46179	2.7
883.47101	60.2
884.47150	2.1
939.11420	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.6881
Annotation	Unknow
Peak:m/z	Relative Intensity
133.41675	0.1
141.99274	0.2
142.65804	0.2
393.28030	0.7
407.29352	0.3
409.30991	1.3
423.32782	21.1
424.33173	3.6
425.34241	3.4
469.33319	38.1
470.33652	6.3
471.34860	100.0
472.35034	2.0
772.25879	0.2
883.50293	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.492
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.3
71.01376	13.0
71.05035	1.4
73.02950	2.0
75.00875	0.9
83.01398	1.3
85.02974	3.5
87.00867	6.5
89.02439	10.9
90.48899	1.0
97.02950	10.6
97.06586	1.5
99.00869	18.0
101.02432	12.2
102.23829	0.9
109.06599	1.6
110.03709	1.0
113.02437	7.2
119.03481	1.0
123.08131	0.9
125.02480	7.9
125.09732	7.8
135.08174	1.2
136.05292	1.2
142.02740	3.4
143.03487	1.0
146.62328	1.0
155.14487	1.1
159.03149	0.8
161.04578	1.4
161.09636	1.0
163.11308	10.8
179.05614	1.0
181.12379	22.2
194.94101	0.9
199.13403	5.3
207.10310	69.9
221.06630	1.1
225.11368	100.0
235.08220	1.4
243.10017	1.8
243.12411	33.9
263.07834	1.8
277.21750	48.7
325.18481	3.8
332.90451	0.9
361.06369	1.3
397.08688	1.0
397.13608	5.7
605.24640	20.6
621.48138	1.1
623.25696	22.5
762.45520	1.0
783.95117	1.1
883.47064	95.2
884.47656	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
65.30064	5.9
66.28934	6.9
71.01376	9.6
78.95912	7.3
87.00869	7.5
87.36210	6.4
89.02459	14.3
100.01614	6.6
101.02461	13.2
176.46260	6.8
201.11301	97.3
209.11876	100.0
277.21713	79.7
317.82666	7.5
379.12360	13.3
397.13562	82.2
400.41025	7.6
415.14536	11.1
581.24805	10.9
589.25153	15.1
607.26257	8.3
707.50195	8.6
939.47559	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03474	3.7
71.01381	26.1
72.14520	2.1
73.02953	3.1
87.00891	4.9
89.02421	27.4
92.65792	2.5
97.02981	3.9
101.02451	21.7
113.02458	11.6
116.92868	35.7
119.03487	4.6
130.26587	2.9
130.36481	2.5
179.05562	5.8
179.20132	2.6
195.13925	17.6
205.00906	2.4
205.12396	15.6
223.13422	100.0
235.08252	3.5
277.21744	67.7
378.75546	3.2
379.12689	5.4
397.13565	40.6
415.14587	5.1
471.11340	2.7
603.26971	16.0
621.28076	19.2
881.48474	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.688
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45985	0.1
79.94889	0.1
81.40018	0.2
136.71191	0.1
204.23280	0.1
239.46738	0.1
289.21826	0.3
355.08240	0.1
393.27991	0.7
407.29037	0.3
407.33829	0.3
408.30194	0.2
409.31018	1.1
409.36319	0.2
423.32767	20.3
424.33029	3.2
425.34100	3.2
462.89395	0.2
469.33313	37.6
470.33652	5.5
471.34848	100.0
472.35022	1.5
907.58746	0.2
978.82727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03974	2.3
67.01896	1.0
69.03474	2.6
71.01382	44.0
71.22089	0.4
71.70924	0.4
72.99321	1.9
73.02945	69.0
75.00875	0.9
81.03450	0.4
83.01389	15.1
85.02962	6.1
87.00904	1.1
89.02449	12.7
91.01897	16.8
91.30455	0.5
93.03499	0.7
93.25359	0.4
93.93871	0.4
95.01395	2.6
97.02954	1.0
101.02443	52.8
101.86758	0.4
108.02191	0.8
109.02964	27.8
113.02454	21.4
117.03452	1.7
119.03503	6.4
119.05028	2.8
121.02950	3.4
123.04549	0.6
124.04737	0.4
125.02440	2.6
131.03499	3.9
135.00885	71.4
135.03006	2.0
135.04526	1.1
137.02441	0.6
143.03493	4.2
145.02988	4.6
149.04581	9.0
153.01949	100.0
154.72751	0.4
155.03534	2.0
161.04567	17.4
163.04036	2.1
179.05632	0.7
191.05626	1.9
203.05643	2.4
211.07700	0.9
211.51868	0.5
221.06703	7.7
223.07787	0.8
227.03404	0.7
243.06604	3.1
284.03210	0.8
307.46567	0.5
323.10068	3.2
389.92654	0.6
402.36349	0.5
415.79401	0.5
459.11511	20.1
654.83612	0.6
910.91425	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	0.6
73.02952	0.2
77.03960	0.1
85.02956	0.4
87.56782	0.1
89.02425	0.1
93.03451	0.6
100.04919	0.1
101.02465	0.2
103.74670	0.1
108.02185	2.0
108.83904	0.1
109.02958	1.5
119.05028	0.1
121.02957	100.0
122.03288	1.9
129.19743	0.1
133.91824	0.1
135.04518	0.7
149.02390	0.2
151.03978	0.2
152.01152	2.3
153.01930	1.2
159.04581	0.1
163.04097	0.3
173.04585	1.3
174.05028	0.1
179.50197	0.1
183.13994	0.1
191.05659	0.3
191.19397	0.1
205.04990	0.2
211.17995	0.1
276.25354	0.1
284.03268	0.2
285.04065	0.5
291.05319	0.2
349.40857	0.1
359.16943	0.3
417.11996	21.3
418.12408	0.9
521.16620	2.2
751.64801	0.1
956.32074	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	935.357
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	2.1
67.02226	0.1
69.03472	0.4
71.01388	1.8
81.03461	0.6
83.05024	0.6
85.02950	0.1
87.00890	0.2
87.60791	0.1
88.10930	0.1
93.03457	14.7
94.03776	0.1
99.04541	0.1
109.02936	0.6
111.00880	0.7
111.04524	3.4
113.02451	0.2
115.03999	0.1
121.02956	19.5
122.03280	0.3
127.04020	0.1
133.02974	0.4
135.04536	0.4
137.02455	4.6
155.03523	4.5
155.04868	0.1
161.02451	0.6
173.04564	100.0
174.04936	0.9
179.03474	0.1
191.05736	0.1
243.65839	0.1
271.02545	0.1
295.08273	42.2
296.08545	0.6
299.02005	0.1
314.04404	0.2
326.39383	0.1
335.07828	0.3
418.35434	0.1
457.11490	2.5
457.17947	0.1
474.27026	0.1
477.10263	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
66.19282	0.5
71.01381	5.7
72.99327	1.1
73.02963	3.4
75.00874	14.1
75.25212	0.5
83.01427	2.1
85.02993	3.0
87.00869	4.0
89.02431	5.2
93.03463	8.1
95.01366	0.7
99.00905	0.9
101.02443	3.9
108.02190	2.6
109.02969	7.0
111.00903	0.5
113.02473	4.2
115.00390	0.9
117.02023	1.0
117.03468	28.4
119.05028	44.7
121.02985	2.9
123.04591	0.9
125.02396	1.0
131.05023	0.9
135.03006	41.6
135.04611	1.8
137.02483	0.7
141.01990	0.7
143.03546	2.2
143.05042	6.0
145.02968	100.0
151.00380	0.8
152.01178	3.8
153.01952	6.1
153.38766	0.5
155.03560	0.7
161.02441	0.9
163.04021	44.6
173.04572	2.3
177.05589	0.6
179.03519	0.9
191.05586	5.5
210.06911	7.6
210.08755	0.7
210.64879	0.6
211.07683	71.5
212.07959	1.0
222.06897	1.1
223.07686	30.5
227.03485	2.5
235.07703	2.5
237.09253	4.3
247.07753	0.6
255.02959	5.0
265.08743	14.9
269.90814	0.6
281.06625	5.9
284.03311	4.5
285.03970	2.5
305.08743	1.2
309.07715	9.9
323.09793	3.1
327.08908	2.0
342.38226	0.6
365.11087	2.4
383.12479	0.8
407.11984	7.5
419.10089	4.5
425.13089	4.7
449.13254	4.1
467.14120	10.7
489.10361	3.8
509.15207	3.6
595.16974	0.8
655.18878	12.8
787.85034	0.7
819.24176	5.0
859.66827	0.6
937.25922	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	933.6973
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93611	0.8
81.55896	0.7
124.11458	0.7
191.27467	0.8
209.11877	1.2
219.98453	0.9
227.44666	0.7
255.23312	1.3
403.02734	0.8
455.35397	100.0
456.35593	2.8
647.87384	1.0
933.69672	76.1
934.70361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86426	5.8
67.64420	5.1
71.01397	59.3
83.05024	10.5
85.02940	7.9
87.00888	6.8
89.02451	14.0
92.10802	13.3
97.02967	6.7
98.08060	5.1
101.02478	23.1
113.02522	8.3
125.02393	6.3
128.22633	6.5
144.77669	5.8
145.27962	6.0
149.25935	6.2
163.11343	7.5
171.10295	25.7
176.87061	5.5
191.05615	9.1
200.94794	5.8
201.11314	20.9
207.10289	34.6
209.11884	100.0
225.11348	51.6
227.12886	13.1
250.82100	6.6
275.27835	6.1
289.18140	21.3
291.19730	25.6
307.19171	8.9
309.20688	30.1
333.30469	6.7
397.13461	13.0
415.14487	8.7
503.33972	9.2
629.33118	6.8
755.80103	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	933.695
Annotation	Unknow
Peak:m/z	Relative Intensity
82.38876	0.5
92.10203	0.6
101.09779	0.5
140.06352	0.4
161.73941	0.4
179.19342	0.5
223.08998	0.5
407.33066	2.1
455.35385	100.0
456.35629	2.5
647.69922	0.5
914.22278	0.5
933.69751	65.4
934.69476	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	931.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
68.76816	46.3
75.80827	45.3
77.15461	52.4
113.73918	45.3
157.39958	54.3
176.22333	47.9
176.73372	57.3
209.11720	66.6
255.23340	90.9
397.13385	56.9
410.34525	59.6
455.35413	100.0
899.25781	76.7
931.50006	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01401	19.6
77.23246	13.3
78.93602	12.6
80.51768	12.1
114.13121	15.6
145.72337	14.5
209.11888	100.0
255.23326	34.7
264.76712	17.0
333.67392	14.6
397.13455	53.6
523.37451	15.9
800.40607	16.9
931.50391	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.231
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03970	0.2
67.01919	1.5
69.03455	0.3
71.01405	1.5
81.03465	0.4
83.01420	1.0
85.02953	2.1
87.00874	2.3
91.01919	0.3
93.03458	12.6
95.01385	0.5
97.02966	0.2
107.01399	3.2
108.02198	1.3
109.02953	3.3
109.09857	0.2
111.04526	1.8
113.02530	0.5
115.00388	1.4
117.03488	1.5
119.05038	1.2
121.02986	1.6
123.00851	0.2
125.02417	0.2
127.04020	0.9
129.01945	0.3
130.04265	0.4
133.02965	0.4
135.00925	1.2
135.03076	0.3
135.04567	1.0
137.02451	1.2
142.71764	0.2
143.05031	4.1
145.02975	1.3
145.06596	0.3
151.00383	3.6
152.01198	1.3
153.01952	2.8
155.03503	0.5
155.05067	0.3
157.01459	0.4
157.06619	1.7
158.03813	0.3
159.04500	2.1
161.02484	0.5
163.00400	3.1
163.04074	0.9
164.01151	0.3
165.01955	1.0
167.04971	0.8
169.01553	0.8
169.06645	1.5
171.04506	1.3
173.02441	0.3
173.04597	3.5
173.06006	0.5
181.69580	0.2
183.04582	0.5
185.06075	3.3
187.04001	3.6
189.05573	1.7
191.05649	15.7
195.04489	0.9
197.06143	1.6
198.03244	0.3
199.04031	1.1
201.05656	0.9
210.06953	0.5
211.04211	2.5
211.07692	10.8
212.04781	0.4
213.05650	2.5
214.02798	0.4
215.03526	0.4
223.07657	0.4
227.03546	9.6
228.04099	0.3
229.05096	15.6
235.07664	1.2
237.09367	2.0
239.03543	1.4
240.04242	0.5
241.05133	2.6
243.03075	0.4
255.03035	12.8
256.03766	2.6
257.04590	9.9
265.08731	4.4
267.03101	1.0
283.02481	0.9
284.03314	16.4
285.04102	100.0
286.04343	2.3
309.07785	0.9
327.08777	3.8
419.09891	1.5
447.09445	2.4
481.17233	0.4
489.10303	1.3
501.14777	0.3
556.86731	0.3
645.18341	2.9
713.19513	1.7
757.18121	5.7
931.22986	11.8
932.23883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00351	0.3
67.01904	1.3
68.62653	0.2
69.03474	0.3
71.01378	1.9
81.03477	0.4
83.01408	1.0
83.05026	0.3
84.79417	0.2
85.02957	3.4
87.00874	2.8
91.01890	0.3
92.18643	0.3
93.03458	14.8
95.01398	0.4
99.00907	0.3
101.02447	0.3
107.01398	2.9
109.02977	1.6
111.04517	1.9
117.03443	2.2
119.05030	10.5
119.05889	0.3
121.02927	0.4
123.00970	0.2
125.02448	0.3
127.04005	1.3
129.01910	0.4
131.05029	0.5
133.06621	0.4
135.00891	1.0
135.04536	1.4
137.02469	1.3
143.05028	2.6
145.02963	8.2
145.06651	0.3
149.00705	0.5
151.00371	4.4
153.01964	1.0
155.03520	1.0
155.78430	0.2
157.06586	1.1
159.04520	2.1
161.06128	1.5
163.00392	3.0
163.04018	8.2
164.01186	0.6
165.02023	0.3
167.05049	0.5
167.73151	0.2
169.01422	1.1
169.06595	1.5
171.04529	1.2
173.04568	6.3
175.58150	0.2
183.04517	0.3
185.06100	4.4
187.04028	3.5
189.05667	1.9
191.05640	41.0
192.99649	0.3
195.04539	0.6
197.06099	1.2
199.04059	1.3
201.05641	0.5
205.05090	0.9
211.04129	2.5
211.07655	2.5
212.08543	0.3
213.05640	2.9
214.02762	0.6
215.03563	0.6
223.07787	1.8
223.09621	0.2
227.03535	12.1
229.05099	15.4
237.09383	0.9
239.03545	2.3
240.04324	0.5
241.05132	2.6
243.03096	0.4
255.03032	18.2
256.03860	3.0
257.04596	9.6
265.08768	1.1
267.02994	0.9
284.03299	24.5
285.04089	100.0
286.04559	1.8
296.08368	0.3
307.08359	0.5
327.08813	2.2
337.09311	0.4
374.32175	0.3
379.10385	0.4
447.09546	1.0
501.13736	0.4
530.91498	0.3
593.13153	4.0
608.16223	0.3
645.18481	3.0
713.18921	0.9
757.17767	4.4
757.30670	0.4
807.74768	0.3
931.23273	16.7
932.23236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00337	0.4
65.03973	0.2
66.67390	0.2
67.01916	1.7
69.03456	0.5
71.01383	2.5
73.02967	0.5
75.00865	0.2
81.03471	0.5
83.01395	0.9
83.05038	0.8
85.02954	8.8
85.03460	0.3
87.00873	3.8
89.02460	0.6
91.01887	0.3
93.02860	0.5
93.03453	14.8
95.01425	0.4
99.00929	0.3
99.04520	0.3
101.02477	0.4
107.01408	3.9
108.02188	1.1
109.02961	2.3
111.00935	0.2
111.04517	2.4
113.02483	0.8
117.03484	3.3
119.05035	11.4
121.02962	1.8
123.00887	0.2
125.02444	0.4
127.04035	2.1
129.01894	0.4
130.04279	0.4
131.05014	0.4
131.06496	0.2
132.02202	0.4
133.02934	0.4
134.03729	0.2
135.00922	1.7
135.04517	1.0
137.02457	1.2
143.05052	1.6
143.46329	0.3
145.02980	16.2
151.00389	6.9
152.01181	1.2
153.01949	1.1
154.04297	0.4
155.03502	0.6
157.06613	1.3
159.04579	1.6
160.01677	0.3
161.02467	0.5
161.06052	0.5
163.00378	3.1
163.04036	8.2
163.05383	0.3
164.01131	1.2
165.02022	0.4
167.05013	0.4
169.01454	1.6
169.06601	1.4
171.02963	0.9
171.04536	0.9
173.02402	0.3
173.04576	4.6
173.06020	0.5
173.82785	0.2
175.04007	0.4
179.03459	0.3
183.04552	0.9
185.06099	3.3
187.04034	4.0
187.07663	0.4
189.05568	2.1
191.05637	82.4
192.05931	1.0
195.04585	0.4
197.06125	1.3
198.03239	0.4
199.04024	1.4
201.05609	0.5
205.05092	1.1
211.04070	3.3
211.07629	2.3
212.04729	0.3
213.05615	3.0
214.02606	0.3
215.03581	0.4
217.05014	0.3
223.04149	0.4
223.07689	1.3
227.03540	22.0
228.04150	0.5
229.05087	15.0
237.09169	0.3
239.03603	2.2
240.04317	1.2
241.05089	1.9
247.07819	0.3
255.03020	38.9
256.03763	5.3
257.04617	9.7
257.07565	0.3
257.08472	0.3
265.08890	0.4
267.02945	1.5
269.04626	0.4
278.62463	0.2
283.02588	0.5
284.03302	52.7
285.04083	100.0
286.04462	1.4
307.08264	1.2
309.07758	0.4
337.09189	1.2
447.09305	3.2
449.14377	1.0
491.11984	0.5
593.13098	9.7
594.14301	0.3
645.18286	1.1
713.18945	1.2
727.22491	0.2
739.16779	0.4
757.17926	5.5
931.23102	19.3
932.22919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.232
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00341	0.5
67.01902	1.5
69.03432	0.3
71.01392	1.3
83.01418	0.8
83.04985	0.3
85.02951	3.6
87.00899	2.3
90.54604	0.3
93.03458	11.9
107.01365	3.6
108.02216	0.6
108.02959	0.3
109.02975	1.6
111.04533	1.4
113.02479	0.3
117.03458	2.4
118.24429	0.4
119.05034	8.7
121.02960	1.3
127.04018	0.6
129.01945	0.5
133.03011	0.4
135.00926	0.8
135.04483	0.5
137.02466	1.7
143.05031	2.3
145.02974	7.7
145.06586	0.4
150.99280	0.5
151.00385	4.1
153.01988	0.4
155.03470	0.7
157.06653	0.4
158.03781	0.3
159.04535	2.0
161.02496	0.8
161.06122	0.6
163.00374	2.9
163.04030	6.2
165.01894	0.6
167.05025	0.4
169.01491	0.8
169.06610	0.8
171.04514	0.6
173.04558	4.2
183.04556	0.5
184.05249	0.4
185.06058	3.3
187.04015	3.6
189.05640	1.3
191.05638	38.9
195.04546	0.5
197.06116	1.4
199.04092	0.7
201.05563	0.5
205.09657	0.3
210.06960	0.4
211.04065	2.4
211.07678	9.4
213.05617	2.7
214.02628	0.3
215.03596	0.5
223.07747	1.4
227.01320	0.5
227.03548	12.2
229.05090	13.5
237.09117	0.7
239.03575	1.7
240.04214	0.4
241.05064	2.3
241.53722	0.3
255.03032	20.0
256.03745	2.7
257.04593	8.2
265.08792	0.6
267.03064	0.7
284.03308	28.6
285.04099	100.0
286.04453	0.8
307.08273	0.4
309.07837	0.6
329.61160	0.4
337.09351	0.6
379.10126	0.5
425.15350	0.4
447.09521	2.3
494.83325	0.5
593.13110	5.5
618.74713	0.4
645.18323	4.7
713.18768	1.4
757.17896	6.1
931.23102	10.9
931.40784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01411	12.7
92.45408	9.0
101.02460	9.3
115.45152	8.6
119.52393	8.0
209.11891	100.0
227.12933	14.6
283.26376	76.7
397.13644	65.8
580.65167	8.8
603.85095	10.3
927.49774	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	1.9
71.01374	2.7
81.03473	0.4
83.05032	0.6
85.02946	0.5
87.00878	0.5
89.22262	0.3
92.10721	0.4
93.03461	53.0
94.03788	0.7
105.03523	0.6
107.05042	0.7
109.02976	1.7
111.00887	0.6
111.04537	4.5
121.02964	63.2
122.03328	1.6
129.01949	0.5
133.02977	10.6
135.04527	2.9
137.02458	100.0
138.02768	0.7
149.02415	0.5
155.03540	8.3
161.02440	2.8
173.04575	96.3
174.04892	3.2
175.05099	0.5
177.01971	3.5
179.03516	1.6
191.05637	2.0
197.04567	1.4
202.65038	0.4
260.73062	0.4
267.06796	0.4
280.13272	0.4
285.04160	0.9
295.08286	30.6
296.08600	2.2
297.08890	0.5
311.07822	14.4
319.08450	0.6
333.06433	0.5
335.07916	4.5
351.07288	0.8
373.44315	0.4
395.49191	0.4
455.10297	2.4
457.11783	1.5
473.10950	14.9
481.57217	0.4
883.34399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01426	34.1
77.96188	20.7
80.83575	19.3
81.12141	22.5
81.54965	17.2
90.91013	26.5
101.02491	30.2
112.44599	19.1
113.02465	32.3
191.05701	26.6
196.93599	19.3
305.77664	23.2
745.46045	29.4
805.47980	100.0
865.50232	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55199	6.5
71.01373	9.4
87.67736	5.6
89.02443	12.9
92.10790	12.1
101.02444	28.1
141.88399	7.0
144.76370	6.5
169.79553	6.6
209.11862	100.0
210.12219	55.5
211.12538	29.9
227.12898	12.7
245.92476	7.4
255.23399	63.1
256.23669	56.2
277.22141	7.4
398.13968	16.0
399.14380	15.8
469.33041	8.0
498.44598	7.8
731.82019	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	923.5525
Annotation	Unknow
Peak:m/z	Relative Intensity
68.96754	0.7
75.75351	0.7
78.95900	31.3
89.02484	1.0
92.10798	0.9
96.13060	0.8
96.96962	1.7
119.75470	0.9
152.99602	57.6
171.00647	21.4
175.02510	0.8
209.11870	8.3
210.12181	0.9
227.03337	1.7
245.04335	69.6
246.04778	1.0
253.21742	24.8
255.23204	0.9
277.21860	1.4
397.13519	4.2
414.65195	0.8
471.34665	0.9
481.25821	100.0
482.26083	1.2
483.26471	1.2
589.26788	0.9
634.36163	0.9
923.46191	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	3.5
73.02950	2.2
85.02942	3.3
88.76462	2.5
89.02431	2.7
89.41132	2.1
91.38477	2.6
92.10854	6.3
93.03465	5.6
95.61876	2.2
96.96003	10.5
98.19176	2.2
99.69253	2.4
117.03465	29.3
121.02967	10.1
134.14584	2.4
135.04494	2.7
145.02982	100.0
165.12834	3.1
173.04620	3.7
183.13893	40.8
191.05637	9.5
209.11813	12.3
225.11273	6.1
227.12936	25.6
486.34637	2.6
697.19910	6.4
784.66681	3.0
856.87555	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	925.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	13.9
71.47490	11.9
91.82778	11.3
92.10165	27.7
108.94729	11.5
137.27451	12.7
187.28642	11.1
198.17473	17.8
209.11797	100.0
281.24893	75.3
309.05411	14.1
397.13501	94.1
419.63519	14.1
600.95703	12.6
916.34613	13.0
925.49622	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	50.8
73.02954	16.4
83.01441	5.0
83.84477	4.2
85.02971	19.4
89.02454	31.2
92.10768	9.1
95.22946	4.5
101.02440	32.8
113.02452	68.4
119.03503	6.1
146.79826	4.5
161.04558	27.5
179.05597	10.1
745.45221	49.7
763.46185	34.0
805.47333	100.0
823.48846	22.5
865.49933	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	5.5
78.95923	20.3
87.92696	3.8
89.02453	10.7
100.13864	4.4
101.02489	5.7
152.99599	50.9
168.29092	4.5
171.00598	5.8
176.98872	4.8
209.11887	100.0
227.12956	9.3
233.50890	4.5
245.04338	53.0
253.21690	25.2
277.21844	38.5
329.26236	5.2
379.12503	10.1
397.13507	40.3
456.61554	5.1
471.34729	6.0
481.25848	82.9
607.26422	9.1
631.88678	4.7
646.24139	5.3
863.15723	5.9
921.45941	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
76.65770	12.8
92.10869	27.8
92.22677	15.4
97.23929	13.9
116.92886	30.3
133.13651	12.8
134.23895	13.6
209.11824	100.0
213.09277	17.2
221.66951	15.5
277.21863	21.5
397.13626	57.7
950.96661	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	921.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65379	2.3
66.50072	2.4
71.01396	16.2
72.19419	2.5
73.02961	4.1
78.40016	2.6
83.01392	2.7
85.02977	4.9
87.00913	5.0
89.02474	14.9
97.02962	12.4
97.57555	2.3
99.00888	24.3
101.02444	13.6
109.06642	3.7
110.60645	2.1
113.02472	5.7
116.92914	3.2
119.03513	2.8
125.02435	3.4
125.09741	9.6
163.11311	14.9
181.12383	26.0
188.96133	2.6
207.10272	79.1
209.11894	9.1
225.11382	94.4
235.08249	3.0
243.12350	30.0
255.23331	87.2
280.01111	3.1
281.24924	5.5
292.05188	2.4
397.13583	15.2
605.24884	14.5
623.26086	4.4
824.74005	2.9
861.48816	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	921.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	1.4
68.28387	0.2
71.01372	1.4
82.46178	0.2
83.05035	0.2
85.02954	5.7
85.41010	0.2
87.00883	1.7
89.02447	0.4
92.10071	0.4
93.03461	7.8
93.04021	0.4
96.26274	0.2
101.02430	0.4
105.03485	0.2
109.02975	1.4
111.00892	0.3
111.04536	2.0
113.02487	0.3
114.45818	0.2
121.02999	1.7
121.03751	0.2
121.06433	0.2
122.88045	0.2
127.04037	1.5
133.02959	2.0
134.03687	0.3
135.04535	16.2
137.02455	1.2
149.00702	0.3
155.03493	1.9
161.02466	2.4
171.02946	0.3
173.04564	22.9
174.04903	0.5
177.01837	0.2
179.01868	0.3
179.03513	15.2
191.05640	100.0
192.06010	0.4
192.99643	0.4
351.07236	0.4
352.07654	0.3
353.08853	28.4
615.90918	0.2
648.68958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
65.61918	13.4
67.71960	12.4
69.59825	13.2
84.75596	12.2
89.02444	13.8
92.10033	30.4
107.45113	13.3
181.12308	14.1
207.10313	32.5
225.11375	53.6
228.69766	13.6
277.21674	27.1
279.51349	16.3
883.46924	100.0
919.44763	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
65.95603	3.4
71.01385	100.0
79.82833	4.1
86.00588	3.8
86.95822	4.7
89.02457	22.1
89.37043	3.8
92.10128	6.1
97.02934	8.1
99.00901	3.7
101.02442	23.9
109.06615	4.9
113.02478	10.5
155.94724	4.4
163.11284	5.3
171.10283	99.3
199.09782	19.4
201.11327	10.0
207.10251	23.0
225.11345	9.7
277.21793	71.1
367.59070	5.6
397.13614	34.9
415.14676	9.9
650.40057	4.5
840.62268	5.1
883.46857	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	919.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
65.13089	7.1
71.01391	80.3
73.02960	7.7
89.02435	19.2
92.10097	7.8
97.02937	9.5
99.08173	7.6
106.16808	8.1
111.70673	7.6
111.74793	7.3
116.92863	8.3
127.11274	7.6
127.49571	7.6
171.10252	100.0
186.71892	7.6
192.82338	9.2
199.09790	8.7
201.11365	12.5
207.10359	34.0
225.11371	29.2
277.21786	64.7
345.08282	8.7
397.13687	34.8
712.41827	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	919.448
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	14.3
73.84528	5.1
79.84238	5.0
81.37585	6.0
85.02992	8.2
89.02476	12.1
90.77770	5.8
92.10757	14.7
101.02478	26.8
107.82638	6.9
109.06596	10.9
113.02482	12.8
123.76237	5.0
125.02468	8.3
126.96048	5.5
163.11325	12.8
189.95174	5.5
207.10298	100.0
225.11368	36.9
227.16122	5.5
277.21704	76.2
379.12509	6.2
397.13635	73.9
415.14752	12.4
445.57846	7.0
707.67432	7.2
883.46790	96.9
919.45001	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03474	1.1
71.01384	16.0
73.02972	2.3
81.03466	1.8
83.01385	1.5
83.05061	5.3
85.02973	4.7
87.00899	3.8
89.02454	17.6
92.10804	4.7
95.01402	1.8
95.04309	0.9
97.02979	3.8
97.47701	0.9
99.00910	1.1
101.02451	12.1
113.02450	9.1
116.92875	1.8
119.03504	5.5
123.58677	1.1
125.02457	4.2
126.15855	0.8
127.37292	1.0
137.56192	0.9
143.03500	0.9
146.79477	0.9
161.04613	3.8
163.11293	4.9
165.12833	1.8
201.11333	1.2
204.22820	1.1
209.11870	100.0
227.12915	8.9
227.64124	1.2
235.08218	6.5
253.09209	1.1
277.21765	61.4
279.92416	0.9
305.08643	1.1
379.12460	8.6
397.13535	39.4
415.14648	8.6
439.07993	1.0
675.36334	1.8
725.15808	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	13.3
73.02943	1.0
74.85378	0.6
81.03461	1.2
83.01395	1.0
83.05038	4.3
84.02181	1.1
85.02974	2.7
87.00883	3.1
89.02453	11.8
95.05021	0.7
97.02973	1.4
101.02447	8.9
113.02503	6.7
116.77570	0.7
119.03514	1.2
125.02442	3.6
137.77608	0.7
143.03493	0.8
161.04573	1.5
163.11282	5.3
165.12859	2.8
179.05629	2.5
179.84311	0.7
187.27138	0.7
209.11867	100.0
227.12927	6.6
230.65518	0.8
235.08212	3.6
277.21786	39.0
278.21945	0.8
287.07697	0.9
337.37891	0.7
379.12427	6.1
397.13565	23.6
415.14542	6.1
552.10901	0.8
607.25934	1.6
734.43384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34740	1.4
67.39400	1.4
69.03488	1.5
71.01376	17.0
72.99325	1.6
73.02962	2.5
83.01423	1.7
85.02952	2.6
87.00876	5.8
89.02454	19.2
95.01411	1.4
95.36174	1.5
97.02947	2.2
101.02447	11.4
104.48485	1.3
113.02468	7.7
116.92875	2.2
119.03520	3.5
125.02444	6.8
143.03476	2.0
161.04613	1.6
169.12344	6.7
179.84721	1.7
197.11871	100.0
207.10170	1.6
235.08064	1.9
255.23280	1.8
277.21750	53.1
305.08908	1.9
379.12567	7.5
397.13647	29.7
415.14487	6.9
577.25427	2.8
595.26105	3.4
675.36639	2.0
835.37738	1.8
883.46069	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37125	1.2
71.01378	15.6
73.32645	1.2
81.03442	2.3
82.97081	1.4
83.05050	7.9
85.02968	5.7
89.02438	15.1
97.02979	7.2
101.02433	14.5
111.08170	2.9
113.02461	7.9
119.03527	2.7
119.37439	1.4
125.02463	2.6
125.09730	1.6
136.16389	1.5
138.50758	1.3
150.67024	1.5
163.11302	8.7
165.12881	7.1
171.10315	2.6
181.12343	1.5
197.11833	18.3
209.09848	3.3
209.11855	100.0
211.13501	1.8
227.12909	11.8
247.20662	1.7
253.09142	1.5
291.19678	20.7
309.20792	56.0
379.12643	2.4
385.70840	1.7
397.13583	30.8
415.14682	8.9
750.13892	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	915.426
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36424	0.2
65.00336	0.3
71.01395	0.6
71.89603	0.2
73.02952	0.3
74.54710	0.2
78.95947	0.2
85.02973	0.7
87.00893	0.4
89.02451	0.4
92.10803	0.3
93.03473	2.0
99.44862	0.3
107.01416	2.1
108.02226	1.2
109.02962	5.0
109.03601	0.4
110.03320	0.5
111.00887	0.3
112.22136	0.4
119.05022	0.3
121.02940	2.3
124.31767	0.3
125.02437	0.3
135.00887	0.5
135.02972	2.4
135.04550	0.5
137.02457	0.5
143.05038	2.2
144.05391	0.4
145.02975	1.1
146.03638	0.5
151.00385	8.2
152.01170	0.4
153.02040	1.0
159.04570	0.5
163.00351	2.4
163.03993	0.5
166.96727	0.3
169.01550	0.4
173.04526	0.6
178.99835	4.3
187.04050	0.3
188.04692	0.5
190.02640	0.5
190.99728	0.3
191.03653	0.4
191.05626	14.2
191.07358	0.5
192.06024	0.4
211.04138	0.4
214.02663	0.3
216.04411	0.4
226.02740	4.7
227.03398	2.7
227.91721	0.4
235.07828	0.5
243.03004	14.1
244.03793	0.4
251.07146	0.4
253.08694	4.7
254.02226	5.0
254.09117	2.2
254.47133	0.4
255.03000	12.9
255.09180	0.7
271.02524	62.7
272.03174	3.7
283.02448	0.3
297.07709	1.9
298.08249	0.4
300.02795	95.3
301.03558	23.7
302.03568	0.7
303.75055	0.4
343.04517	0.6
449.14597	0.5
463.08902	100.0
464.09042	3.0
465.09717	0.4
481.17157	1.2
486.37094	0.4
526.50873	0.3
547.90247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	1.4
73.31508	0.2
75.00876	0.2
81.03461	0.6
85.02956	1.2
89.02416	0.3
93.03446	2.2
95.01433	0.4
99.00888	0.2
101.02424	0.4
108.02183	100.0
109.02981	17.2
113.02450	0.3
119.05029	0.4
120.32247	0.2
121.02954	7.3
123.00851	0.5
123.04562	1.7
133.02969	2.0
134.03741	0.4
135.00961	0.3
135.04532	3.9
137.02443	0.6
145.02968	0.3
148.03870	0.2
151.04042	2.3
152.01170	64.5
153.01956	20.0
161.02434	0.4
163.04047	2.8
165.01923	1.0
165.42340	0.2
173.04555	3.3
177.01874	0.3
179.03539	2.0
185.06027	0.4
191.05649	4.3
197.31232	0.2
241.35155	0.2
297.06137	0.3
353.08774	1.6
419.09915	77.5
420.10333	2.2
421.87424	0.3
515.12177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	0.1
71.01382	0.1
77.03979	0.1
81.03480	0.1
82.84624	0.1
83.05039	0.3
85.02953	0.1
87.00891	0.1
88.34693	0.1
93.03447	2.0
99.04466	0.1
105.03438	0.1
109.02973	0.3
111.04529	1.5
120.03018	0.1
121.02958	100.0
122.03274	1.8
123.03440	0.1
127.03975	0.2
129.01959	0.3
133.02969	1.1
135.04535	1.4
137.02467	0.8
149.06049	0.1
153.05705	0.1
155.03516	2.3
161.02451	2.2
173.04558	6.0
179.03510	1.0
187.16068	0.1
191.05600	0.6
229.01375	0.1
295.08267	31.4
296.08551	0.4
333.06354	0.1
335.07803	2.4
335.94458	0.1
456.10669	0.1
457.11444	2.1
458.12006	0.1
752.76361	0.1
915.24658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	4.9
68.99082	0.6
69.46981	0.7
71.01392	6.5
72.13312	0.6
75.00871	1.1
81.03462	0.9
83.05048	0.8
85.02974	3.7
87.00896	4.0
93.03458	49.4
108.02204	1.6
109.02948	9.1
111.04534	8.6
113.02452	1.1
115.00383	1.1
119.05040	1.7
121.02959	48.9
133.02971	1.7
134.03693	1.6
135.04518	6.3
137.02455	21.3
145.03003	1.4
147.04515	1.1
155.03523	7.8
161.02402	1.0
161.06020	1.1
173.04561	86.6
175.03981	0.9
177.01953	1.4
179.03487	1.7
187.03999	3.2
187.07558	1.2
191.05685	9.1
196.05305	0.8
197.06030	1.3
209.11806	3.9
213.05548	1.6
214.02776	1.4
214.15215	1.0
220.32555	0.8
225.05611	3.6
226.06374	7.4
241.04977	1.9
242.05904	15.0
243.06647	100.0
244.07173	1.0
259.19806	0.9
269.08224	1.1
271.09650	3.3
295.08420	10.5
297.07648	3.8
323.05270	1.3
391.15155	0.8
449.14630	3.9
467.15552	7.5
703.35754	0.9
793.20203	6.8
915.23492	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	911.7149
Annotation	Unknow
Peak:m/z	Relative Intensity
71.74955	0.1
76.39359	0.1
82.37245	0.1
109.75641	0.1
118.54545	0.1
173.96056	0.1
205.01479	0.1
297.78369	0.1
315.77805	0.1
407.33215	0.4
455.35410	100.0
456.35684	1.7
529.12390	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	913.6425
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25786	0.1
66.84954	0.1
67.02458	0.1
70.45100	0.1
71.01394	0.2
81.01015	0.1
101.02467	0.6
125.36117	0.1
163.06126	1.1
172.48090	0.1
181.07175	0.3
209.12030	0.9
239.25418	0.1
277.21765	29.2
278.22128	0.6
358.91071	0.2
377.28259	0.2
393.31625	0.9
405.31808	0.2
423.32907	1.1
441.28641	1.1
471.34875	100.0
472.35172	4.2
473.35361	0.6
503.12375	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	911.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	47.6
71.01782	1.5
72.00937	1.2
72.99311	1.5
73.02950	15.1
76.58665	0.9
83.01398	10.0
83.05061	1.3
83.98920	0.8
85.02957	24.5
87.00870	1.0
89.02444	16.2
92.10168	1.1
93.03476	7.8
95.01394	5.3
97.02963	1.0
97.79169	0.8
99.00900	9.0
100.00433	1.2
101.02451	49.4
104.66941	0.8
105.09812	1.0
108.02172	1.3
109.68452	0.8
113.02462	24.9
115.71072	0.7
117.03484	1.2
119.03489	6.9
119.05019	10.8
121.02959	100.0
124.01694	4.2
125.02425	2.0
130.82030	1.0
133.02942	1.1
135.04544	8.6
137.02452	5.9
142.06622	3.5
143.03424	1.4
145.02994	7.1
159.03032	1.0
161.04576	11.6
163.04008	4.2
173.04543	12.1
173.93869	0.9
177.01939	6.3
186.05531	3.3
190.99098	0.8
191.05701	7.7
195.13951	7.2
198.01312	0.9
201.11406	1.6
209.11888	3.3
213.15031	4.7
229.06241	5.3
234.48062	1.0
285.03784	1.0
287.05600	1.8
288.06439	1.1
289.07236	1.8
289.16608	42.0
289.19849	1.3
295.08234	1.0
311.05530	1.0
317.10413	0.9
331.17761	11.9
347.07681	1.4
349.11993	5.5
375.20340	56.1
375.27435	8.0
413.14893	1.0
443.09958	0.9
449.14673	1.0
535.18542	3.0
535.31006	1.2
615.86395	0.9
745.44092	1.0
782.08563	1.1
911.25806	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	47.6
71.01782	1.5
72.00937	1.2
72.99311	1.5
73.02950	15.1
76.58665	0.9
83.01398	10.0
83.05061	1.3
83.98920	0.8
85.02957	24.5
87.00870	1.0
89.02444	16.2
92.10168	1.1
93.03476	7.8
95.01394	5.3
97.02963	1.0
97.79169	0.8
99.00900	9.0
100.00433	1.2
101.02451	49.4
104.66941	0.8
105.09812	1.0
108.02172	1.3
109.68452	0.8
113.02462	24.9
115.71072	0.7
117.03484	1.2
119.03489	6.9
119.05019	10.8
121.02959	100.0
124.01694	4.2
125.02425	2.0
130.82030	1.0
133.02942	1.1
135.04544	8.6
137.02452	5.9
142.06622	3.5
143.03424	1.4
145.02994	7.1
159.03032	1.0
161.04576	11.6
163.04008	4.2
173.04543	12.1
173.93869	0.9
177.01939	6.3
186.05531	3.3
190.99098	0.8
191.05701	7.7
195.13951	7.2
198.01312	0.9
201.11406	1.6
209.11888	3.3
213.15031	4.7
229.06241	5.3
234.48062	1.0
285.03784	1.0
287.05600	1.8
288.06439	1.1
289.07236	1.8
289.16608	42.0
289.19849	1.3
295.08234	1.0
311.05530	1.0
317.10413	0.9
331.17761	11.9
347.07681	1.4
349.11993	5.5
375.20340	56.1
375.27435	8.0
413.14893	1.0
443.09958	0.9
449.14673	1.0
535.18542	3.0
535.31006	1.2
615.86395	0.9
745.44092	1.0
782.08563	1.1
911.25806	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34875	0.4
71.01392	1.3
89.02443	0.5
93.03471	3.6
101.02529	0.5
108.02173	0.5
109.02950	0.5
121.02958	51.4
122.03001	0.5
122.03765	8.4
123.04509	0.3
133.02966	0.8
135.04509	2.3
136.01674	1.5
137.02440	0.7
149.02467	15.6
150.03242	90.6
151.00420	0.4
151.03912	0.6
152.02251	0.3
164.04825	4.2
165.05585	100.0
166.06024	0.7
173.04521	1.5
177.01955	0.4
180.04301	8.6
191.05649	2.2
195.06656	47.4
196.06805	0.4
209.11906	1.5
219.91873	0.4
242.09593	0.5
257.11926	0.5
269.08374	0.5
270.09134	2.2
285.11273	3.3
286.08429	0.7
298.08658	1.4
299.09235	2.6
310.08514	0.4
311.09470	0.5
313.10886	1.5
314.08017	2.3
325.10983	1.5
326.08026	0.9
326.11478	0.7
329.10306	6.3
341.10336	10.3
341.13943	0.6
344.12723	11.0
356.12717	5.6
359.15079	20.3
364.98111	0.4
371.15012	14.3
449.14438	0.4
463.17972	1.6
475.17694	0.9
507.20746	0.6
537.21252	1.3
585.14233	0.8
585.23535	25.4
586.24738	0.6
689.26447	2.0
747.42438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.336
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10841	0.5
71.01395	2.3
76.57894	0.5
85.02994	0.6
88.67670	0.5
92.10137	1.6
92.66465	0.6
93.03474	3.5
104.60624	0.5
105.20555	0.5
121.02958	51.6
122.03735	10.0
133.02946	2.0
133.61118	0.5
135.00948	0.6
135.04608	0.6
136.01711	1.9
137.02438	2.0
145.02988	0.7
149.02457	14.9
150.03236	96.0
151.03894	0.7
160.01662	0.6
163.03986	0.7
164.04869	4.0
165.05574	100.0
166.05959	0.9
173.04529	1.2
180.04301	7.7
181.12204	0.6
191.05583	2.5
195.06644	48.2
207.10245	1.2
209.11801	3.7
225.11349	0.8
246.08923	0.6
253.11537	0.5
270.09009	2.1
285.04126	2.6
285.11166	1.9
298.08398	0.7
299.09222	1.2
301.10925	0.7
310.08508	0.6
313.10944	0.7
314.07861	1.9
324.09991	0.7
325.10788	1.1
326.11493	0.6
327.12396	0.8
329.10333	5.7
341.10339	10.4
344.12714	11.8
356.12643	5.3
359.15085	20.7
371.10867	0.8
371.15085	14.4
397.13651	0.8
463.17908	1.0
475.17923	0.8
537.21558	1.3
585.23547	30.4
666.40808	0.8
689.26355	1.2
744.46387	0.6
788.87708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.523
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19243	7.6
71.01401	35.6
73.02976	14.1
78.84718	8.7
89.02471	36.2
101.02475	20.0
113.02438	23.2
119.03517	16.8
129.57208	9.0
161.04512	9.4
179.05623	9.4
419.87271	11.1
482.71616	10.1
729.45660	50.7
747.46893	53.0
782.98840	12.5
789.48145	100.0
803.54999	10.1
807.48773	21.7
849.49744	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60896	0.3
68.04649	0.4
71.01393	0.5
72.37180	0.2
76.36895	0.3
87.09461	0.3
92.10139	0.5
93.03456	4.6
109.03010	0.3
113.02377	0.3
119.05043	0.5
121.02963	35.2
122.03752	9.2
122.04612	0.3
123.04550	0.6
132.02190	0.5
133.02922	2.2
134.03778	0.3
135.04578	1.2
136.01698	1.2
137.02481	2.4
144.98837	0.3
145.03006	0.3
148.01636	0.6
149.02460	37.6
150.03242	90.3
151.04034	1.2
153.05579	0.6
160.01680	1.2
163.04028	0.6
164.04805	11.7
165.05582	100.0
166.05981	0.4
173.04510	2.0
175.04002	0.3
179.07159	1.6
180.04326	7.3
191.05629	1.2
195.06650	32.8
196.07022	0.3
209.11844	1.0
222.09097	0.3
226.08336	0.4
242.09581	0.6
269.07916	0.4
270.08969	2.4
283.09790	2.6
285.11316	3.5
286.08499	0.6
296.10687	0.3
297.07889	0.4
297.11279	0.5
298.08487	2.1
298.12012	0.4
299.09290	3.0
299.12918	2.1
301.10773	1.1
309.07550	0.5
311.09290	1.2
313.10864	1.6
314.08240	2.6
314.11270	0.4
324.10236	0.5
325.10870	1.8
326.08017	1.3
326.11734	1.3
327.12448	6.2
328.13217	10.4
329.10345	7.3
330.11130	1.8
341.10382	11.0
341.13724	0.5
342.10703	0.4
343.11835	0.5
343.15506	4.6
344.12692	11.8
344.16644	0.6
345.13379	0.5
355.11957	1.2
356.12671	6.9
359.15070	20.5
371.15042	14.8
386.75653	0.3
429.26389	0.3
460.14819	0.4
461.16068	2.1
463.17947	2.4
475.18027	0.4
492.18015	3.8
493.18259	0.5
507.20377	8.3
519.20380	1.4
522.19061	0.7
537.21399	33.6
538.21704	1.5
567.22339	1.7
585.23523	57.0
586.24048	0.7
641.24097	1.3
689.25983	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	909.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43180	0.4
64.35319	0.5
65.44812	0.5
67.01905	0.7
71.01398	0.6
85.02975	0.5
93.03465	1.2
95.05067	0.5
106.98686	0.5
108.02187	0.7
109.02964	4.8
121.02953	4.8
123.00895	0.9
123.04501	0.9
125.02437	0.6
135.04535	2.4
136.01662	1.2
137.02449	26.0
139.03983	0.7
148.01646	0.7
149.02480	2.5
150.03220	3.3
151.00375	11.6
151.04013	5.0
151.05099	0.5
152.01137	0.9
152.04829	3.5
161.02519	1.0
163.04062	2.2
164.01178	2.9
164.04878	1.1
165.01938	100.0
165.05583	6.6
166.02725	38.8
166.86142	0.5
167.03491	4.6
173.04619	1.0
175.04030	2.6
176.04753	0.9
177.01947	3.0
177.05562	2.7
178.02681	0.8
179.03496	24.2
179.07089	0.9
180.04295	61.3
181.05070	42.1
184.03801	2.7
187.04041	3.9
190.06367	1.2
191.03697	0.9
191.05624	3.0
192.04286	0.8
193.05000	2.5
194.05911	4.7
195.02982	3.2
195.06641	68.2
202.06401	0.6
203.03465	0.8
205.05080	7.5
205.08710	0.9
207.06660	2.0
210.05365	13.7
217.05019	0.6
220.07381	4.9
225.07706	34.1
297.04190	0.6
339.08939	0.6
344.08871	0.6
345.09830	0.9
359.11429	2.6
366.03488	0.6
371.11331	1.1
372.12033	0.9
386.13754	1.1
387.10242	6.6
387.15427	4.6
402.13354	5.3
403.14127	1.1
413.11740	0.6
416.14877	2.6
417.15628	43.8
448.08862	0.6
535.16296	1.0
565.16595	3.9
580.19525	2.8
595.21960	47.3
596.22864	0.8
605.92273	0.7
625.22852	0.9
643.24048	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	909.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
68.34283	0.2
68.99844	0.2
71.01391	0.8
73.02972	0.3
75.00891	1.1
81.03475	0.4
83.01404	0.2
85.02981	0.9
87.00909	0.2
88.14378	0.2
91.01917	0.4
93.03481	0.9
93.32593	0.2
95.01394	0.3
96.01085	0.2
107.01431	0.4
107.86993	0.2
108.01097	0.2
108.02192	17.2
109.02969	100.0
109.53335	0.2
110.03338	0.2
121.02960	10.7
123.00877	2.7
123.04523	1.1
135.03040	2.1
135.04564	0.4
137.02504	0.3
148.01714	0.2
151.00388	3.2
151.03976	1.5
152.01173	22.8
153.01958	82.6
154.02356	0.3
163.00349	0.3
163.04095	0.2
167.03479	0.3
169.01402	0.3
178.99878	1.5
191.05666	1.5
195.02980	0.5
197.09808	0.2
211.04236	0.3
227.03589	1.8
237.04236	0.3
241.08813	0.3
243.02956	0.3
245.04543	0.3
255.03062	3.5
262.08722	0.2
271.02527	3.7
284.03363	1.8
285.03931	1.0
297.06189	1.9
300.02838	7.7
301.03598	7.6
342.65970	0.2
348.58124	0.2
348.62634	0.2
383.44543	0.2
399.56488	0.2
419.09909	80.7
420.10162	1.2
463.08807	1.8
484.79565	0.2
489.10593	1.3
490.10678	0.3
773.17322	1.0
791.18274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01892	4.7
69.03466	1.4
71.01389	3.3
73.49525	0.2
75.33765	0.2
78.84682	0.2
80.22105	0.2
81.03477	0.8
83.05048	0.9
84.25932	0.2
85.02956	2.8
87.00872	4.2
92.10681	0.3
93.03456	39.5
94.03809	0.3
99.00881	0.3
99.04533	0.5
105.03510	0.4
108.02177	0.4
109.02966	1.3
111.00896	0.3
111.04526	7.2
113.02481	0.3
115.04031	0.3
121.02955	18.8
124.01676	1.8
125.02452	0.5
127.04029	1.2
129.01935	0.9
132.02170	1.0
133.02934	3.1
134.03737	3.7
134.27271	0.2
135.04530	16.0
136.05299	0.2
137.02448	5.1
139.04036	0.3
139.78053	0.2
143.03526	0.2
150.03242	0.9
151.04012	2.0
153.01988	0.4
155.03528	4.9
160.01682	6.8
161.02507	1.5
162.03288	0.4
163.04037	0.2
173.04561	100.0
174.04953	1.5
174.06262	0.3
177.01945	1.8
178.02774	1.4
179.03519	5.3
191.05635	43.6
192.05894	0.3
231.10286	1.4
257.08331	1.9
275.09317	1.5
293.77362	0.2
295.08273	34.3
296.08655	1.0
297.08655	0.2
307.08148	0.4
308.09131	0.4
335.07745	0.2
351.07370	1.1
352.07935	1.1
449.14624	43.9
450.15143	1.0
457.11478	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	902.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	1.6
72.99313	2.7
75.00871	30.1
87.00894	0.2
89.02445	5.5
93.03461	1.9
96.99261	0.1
106.04269	0.2
111.04469	0.1
117.01937	2.4
119.05027	12.9
121.02975	0.8
131.05014	0.3
132.05795	0.2
133.02946	0.2
135.03008	100.0
136.03352	0.2
143.05023	1.2
145.03008	0.2
145.06563	0.2
161.00888	0.2
163.04028	9.8
191.05609	0.6
211.07683	0.6
221.09787	0.2
237.09280	0.9
239.10895	0.3
265.08731	1.7
283.09845	1.6
309.07822	0.6
327.08783	8.2
445.11496	4.2
471.94394	0.2
881.39368	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	901.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34319	11.1
65.16747	9.9
71.01402	46.8
76.57566	12.8
80.78619	10.6
89.02449	43.0
94.86008	10.7
96.37547	12.2
101.02475	17.2
111.16873	11.8
143.16026	11.4
171.10339	71.0
207.10457	20.4
225.11366	51.2
277.21844	91.5
321.80243	11.2
338.49927	11.4
397.13617	47.2
471.34958	19.4
492.44751	12.2
665.65924	13.5
699.02704	12.0
749.54578	14.3
883.47400	14.9
901.47363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99020	1.6
71.01389	20.5
73.02937	3.3
79.70563	1.7
85.02966	7.9
86.35262	1.8
87.00910	3.5
89.02436	24.1
94.79031	2.4
97.02951	3.4
99.00895	2.2
101.02450	20.3
109.06587	2.4
111.69408	1.8
113.02470	11.1
116.92857	12.4
119.03515	2.8
125.02456	7.6
127.11335	2.6
143.03503	2.5
150.89848	1.8
161.04590	2.1
162.00542	1.8
163.11244	3.1
171.10286	100.0
179.05559	2.9
181.12305	2.2
189.66722	2.4
207.10281	15.3
221.06686	3.4
225.11386	46.0
235.08203	4.5
253.30550	1.9
277.21738	66.4
280.32779	2.0
297.15472	3.9
353.40112	1.8
379.12537	14.4
397.13632	41.7
415.14664	8.3
551.24316	2.7
572.38141	2.1
623.25818	7.0
883.46967	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	897.508
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	100.0
73.02943	7.0
75.49994	3.5
85.02965	4.5
89.02457	25.1
97.02962	5.4
98.54986	3.6
101.02465	22.4
108.91097	4.1
111.92512	4.3
113.02416	5.0
125.02391	5.4
171.10265	65.6
199.09828	9.3
201.11391	5.9
207.10266	22.9
225.11343	14.4
235.08145	5.3
255.23340	90.5
314.88892	4.8
397.13608	38.0
415.14401	4.9
546.97723	3.9
835.47626	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	899.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01904	2.1
69.03480	1.7
71.01384	42.9
71.01777	1.5
73.02948	12.1
74.17931	0.9
81.03463	2.1
82.14016	0.8
83.01411	5.3
83.05066	4.1
85.02956	19.2
85.03395	1.2
87.00901	4.3
89.02438	11.9
93.03456	49.3
95.01421	1.9
97.02981	1.3
99.00904	6.3
101.02450	31.7
102.44901	1.2
109.02972	4.4
111.00875	1.2
111.04517	7.9
113.02467	16.6
114.39106	1.0
115.00379	1.2
119.03526	4.3
119.05006	1.9
121.02955	39.3
124.01747	1.0
125.02486	3.9
134.03725	1.8
134.60338	1.0
135.04501	6.4
137.02470	16.3
139.03987	1.0
143.03499	1.7
145.03021	1.7
149.06094	1.3
149.25703	0.9
150.03220	1.1
153.23604	1.0
155.03539	10.1
159.03180	1.1
161.02495	1.4
161.04616	9.3
163.04073	1.1
165.01929	1.3
165.60901	1.0
173.04564	71.7
179.03601	1.5
185.06133	1.4
187.07675	1.2
190.94954	1.8
191.05620	22.2
206.23508	0.9
209.11819	2.3
210.07024	1.4
215.07167	4.3
226.06377	6.5
227.07191	100.0
228.07533	5.3
255.10400	3.4
271.04556	1.1
281.08215	2.0
285.03802	1.3
295.08325	5.1
323.09854	2.1
361.34311	1.0
432.58835	1.1
449.14536	6.4
515.30334	6.2
677.35742	6.9
777.20636	3.7
839.40784	52.5
840.41022	1.7
899.23151	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	899.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	5.4
71.01384	14.3
71.05051	1.6
72.13640	0.4
72.99305	0.5
73.02956	2.9
81.03454	0.6
83.01414	2.3
83.05045	0.7
85.02947	4.5
85.86387	0.4
87.00877	2.8
89.02445	14.1
91.45514	0.3
92.10139	0.8
95.01394	1.8
97.02962	2.3
97.06607	0.7
97.12849	0.3
99.00906	1.9
101.02447	14.5
103.03985	0.4
106.90742	0.4
113.02454	6.3
119.03488	3.5
123.08186	0.7
125.02492	2.9
125.09720	3.1
142.69185	0.4
143.03531	0.9
151.11308	3.3
153.12877	2.3
161.04570	1.8
161.09747	2.8
179.05539	0.8
179.10797	6.8
197.11864	96.5
198.12189	0.5
211.13403	0.7
221.06664	4.4
223.09836	2.3
230.26036	0.4
235.08261	1.5
241.10849	6.4
276.26196	0.4
277.21756	35.8
278.22125	0.6
343.58588	0.4
397.13565	2.0
452.10098	0.4
563.85468	0.5
760.42163	0.4
827.17603	0.4
899.46619	100.0
900.47272	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	899.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	5.5
69.92737	0.6
71.01388	12.2
71.05010	0.9
72.99312	0.6
73.02947	2.8
83.01418	1.1
83.05051	0.8
85.02953	4.1
87.00891	2.4
89.02446	16.8
97.02953	2.6
97.06576	0.8
99.00887	1.2
99.90145	0.6
101.02460	11.8
113.02463	6.2
114.87354	0.6
119.03506	3.4
123.08172	1.4
125.02435	2.4
125.09742	3.5
141.48862	0.7
143.03474	1.0
151.11293	3.9
153.12863	1.2
153.25821	0.7
161.04585	1.3
161.09767	4.2
169.12317	0.7
179.10771	7.7
197.11858	58.9
212.79561	0.6
220.73868	0.6
221.06689	2.5
230.14029	2.7
235.08322	0.9
241.10760	3.0
277.21759	52.4
397.13620	1.2
471.35156	0.9
726.30579	0.8
899.46643	100.0
900.46643	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	897.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54998	6.5
67.72137	7.2
71.01388	8.5
71.86649	6.7
74.50916	6.8
75.30989	8.2
78.93525	7.1
89.02449	8.3
99.66811	5.9
109.06641	9.6
112.40658	7.0
114.39495	7.0
126.33849	8.7
163.11293	11.1
207.10342	74.3
207.88765	7.1
225.11313	31.2
241.01767	7.0
255.23280	53.8
397.13458	38.7
653.37665	10.2
861.48499	100.0
897.45886	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26846	0.2
64.34200	0.2
66.14801	0.2
69.03471	0.3
71.01383	11.0
72.99302	0.5
73.02943	2.6
73.72982	0.2
74.51420	0.2
75.00874	0.3
76.11955	0.2
78.13618	0.2
83.01405	1.0
84.51337	0.2
85.02953	4.7
87.00876	1.1
89.02448	5.8
89.02980	0.2
93.03426	0.4
95.01379	0.5
97.02961	1.2
99.00874	0.3
101.02441	7.0
101.79142	0.2
112.15752	0.2
113.02451	5.5
115.04015	1.2
119.03497	2.0
119.04973	0.7
121.02959	100.0
122.03252	1.4
125.02489	0.3
127.03989	0.3
131.03491	0.3
133.81830	0.2
135.04533	61.4
136.04872	1.1
143.03485	0.5
145.02995	0.2
145.05150	0.3
147.04536	1.0
161.04590	2.9
163.04027	7.5
163.06136	4.3
165.05559	0.4
177.05615	0.4
179.05626	0.3
181.07201	8.0
191.05675	1.2
193.05077	0.8
205.07204	2.1
211.06111	0.5
217.05168	0.3
223.06197	2.4
247.08403	1.1
265.07254	0.3
283.08362	1.8
303.92206	0.3
325.11487	21.7
343.12772	0.2
359.21118	0.2
447.15173	23.6
448.15671	0.5
449.15833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	2.0
71.01398	8.0
82.39131	1.7
83.05015	2.1
85.02977	2.5
87.00861	1.7
93.03461	10.2
95.01404	3.6
97.02975	2.5
101.02438	2.6
109.02965	2.9
113.02427	2.4
118.96828	1.6
119.05032	7.0
121.02962	22.8
122.03733	7.5
123.00877	10.9
124.01643	3.0
125.02483	3.1
127.00350	2.2
133.02921	2.2
135.04543	8.7
136.01654	2.0
137.02470	10.7
137.06107	2.2
137.99600	2.6
138.03229	3.7
139.00385	17.9
139.04045	7.3
145.02950	7.9
147.04550	8.6
149.02464	19.6
150.03246	58.6
151.00388	12.6
151.04019	8.8
152.01218	3.4
153.01949	6.5
153.05551	3.8
155.03476	2.0
159.04515	3.5
161.02431	10.0
162.03265	7.7
163.04007	8.3
163.11275	1.8
165.01842	2.1
165.05586	64.6
166.02737	37.9
167.03531	2.8
173.02428	2.2
173.04553	6.8
175.04007	12.2
176.01146	2.6
176.04781	1.9
177.01945	7.1
177.05592	11.2
178.02863	2.1
179.03487	1.9
180.04276	7.7
181.05090	41.5
181.42020	1.5
189.01964	3.5
189.05746	2.3
190.02649	1.8
191.03600	17.9
191.05557	12.9
192.04257	7.5
192.07979	1.7
193.05014	6.7
195.06647	10.6
201.01888	1.7
203.03555	28.1
204.04268	3.2
205.05112	2.5
207.06731	6.3
209.11862	42.3
218.05884	23.7
219.06529	3.2
221.04559	7.1
227.12897	3.4
233.04514	2.0
233.08142	13.1
235.06183	4.0
236.06967	22.5
251.09323	25.0
268.89694	1.6
269.04642	1.7
285.03992	2.1
343.08136	1.8
355.08209	6.0
357.09943	4.1
358.10593	20.8
373.13007	44.2
385.12949	7.7
403.09976	4.8
417.11938	7.3
418.12790	7.3
431.13812	3.7
432.13751	2.6
433.15082	33.1
551.15137	3.0
566.18408	2.6
581.20428	3.8
629.22546	100.0
895.30066	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72375	0.3
69.03468	1.4
71.01391	2.0
75.00882	1.6
85.02975	0.4
87.00880	0.4
89.02441	0.5
92.10839	0.6
92.66612	0.3
93.03452	10.1
96.99319	0.5
99.00889	0.4
100.29179	0.4
101.02436	0.5
106.04255	1.5
107.05017	0.5
108.02197	0.6
109.03030	0.4
117.03458	1.9
119.05025	95.8
120.05389	0.5
121.02946	3.0
123.04493	0.4
131.05008	1.7
132.05804	2.5
133.02924	0.5
135.03014	2.3
135.04529	0.7
137.02422	0.8
143.05035	4.9
144.06567	0.3
145.02966	4.1
145.06615	2.2
161.02347	0.5
163.04019	89.8
164.04329	0.6
171.04514	0.4
173.04509	0.4
191.05566	3.3
211.07622	4.7
221.09805	1.3
223.07732	3.1
235.07718	0.7
237.09259	4.7
239.10773	4.4
253.08731	0.6
265.08746	6.4
283.09775	16.3
309.07733	1.6
324.89594	0.4
327.08792	100.0
328.08926	0.8
333.44681	0.4
391.99487	0.3
396.65088	0.3
613.18591	0.6
751.90204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93431	2.6
71.01402	15.9
74.40202	2.4
75.00893	3.5
79.48156	2.6
83.05055	3.6
85.02964	6.1
89.02470	12.7
93.03479	15.4
95.01404	4.6
100.14338	2.6
101.02457	4.2
106.43949	2.7
107.05061	3.1
111.00925	3.6
113.02468	10.8
119.05069	5.0
121.02949	33.5
122.03761	10.7
123.00926	11.9
124.01715	3.5
129.24831	3.1
133.02959	3.6
135.04532	20.0
136.98808	2.8
137.02475	19.9
138.03201	6.7
139.00389	6.2
139.03992	5.7
145.02925	19.8
147.04590	4.7
149.02426	21.8
150.03230	83.1
151.00363	24.9
151.03972	3.5
153.01961	12.6
159.04529	5.5
161.02446	6.0
162.03183	4.5
163.04024	6.8
164.04803	3.8
165.01949	4.8
165.05576	100.0
165.06870	5.3
165.50249	2.6
166.02739	53.9
173.04549	4.0
175.04012	10.5
176.95311	3.1
177.05638	5.1
178.02541	3.1
179.03508	3.6
180.04295	12.3
181.05066	58.2
183.99763	2.8
191.03670	21.5
191.05536	23.1
191.07137	3.2
192.04268	14.2
193.05052	6.8
195.06599	19.6
203.03555	31.8
204.04231	3.8
205.05128	4.9
207.06656	15.1
209.11870	81.3
218.05853	36.9
219.06544	4.2
221.04558	6.3
227.12886	16.4
233.08246	16.8
235.06096	3.7
236.06915	27.5
249.07788	3.7
251.09256	39.8
284.03134	3.9
285.04016	3.0
339.08899	2.9
355.08215	4.3
357.09879	5.1
358.10779	12.7
373.12976	30.1
397.13391	5.1
433.14969	11.8
435.42010	3.0
504.65738	3.3
582.07422	3.1
629.22559	79.0
895.29810	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
65.13372	0.7
65.13774	0.8
67.01912	0.8
68.99830	1.0
69.03455	1.0
71.01384	6.1
75.30113	0.7
81.03482	0.8
83.01397	2.1
83.05044	5.3
85.02972	1.3
87.00903	1.5
89.02448	4.5
93.03460	35.6
95.01394	5.1
97.02940	1.4
101.02446	4.6
105.03477	0.9
108.02206	1.1
109.02957	3.2
111.00906	4.8
113.02416	2.0
117.03492	0.9
119.03520	0.9
119.05045	4.0
121.02963	16.0
121.06613	1.1
122.03781	6.0
122.11024	0.9
123.00906	12.9
123.04535	1.3
124.01661	4.6
125.02431	5.1
127.00360	4.2
131.18745	1.0
133.02962	3.6
135.04521	5.2
136.98849	1.2
137.02464	56.9
137.03511	2.1
137.99608	0.8
138.03198	5.4
139.00391	14.2
139.04015	7.2
143.04941	1.0
145.02982	4.8
147.04541	9.7
149.02466	16.5
149.06158	1.0
150.03255	59.3
151.00398	25.1
151.04005	5.7
152.01089	1.1
153.01964	6.9
153.05600	6.8
154.02803	1.4
155.03519	3.5
158.44940	0.8
159.04518	5.2
161.02495	6.6
161.06003	1.1
162.03223	5.5
163.04080	7.4
163.11320	1.3
164.04834	1.9
165.01941	1.7
165.05597	60.1
166.02739	66.0
167.03436	1.5
173.02495	1.2
173.04559	6.4
174.03214	1.8
175.04012	9.9
176.01082	2.1
176.04779	1.9
177.01967	8.0
177.05605	8.3
178.02681	3.3
179.03546	2.1
180.04312	6.7
181.05093	70.2
187.03986	1.7
189.01851	3.7
189.05560	1.3
190.02766	4.3
191.03555	21.9
191.05420	2.8
191.07130	1.4
192.04343	17.7
192.08038	1.2
193.05052	7.3
195.03084	1.1
195.06679	9.5
203.03552	34.9
204.04227	3.8
205.05054	8.0
205.08681	1.9
206.05948	1.8
207.06668	11.0
209.11891	55.0
217.05132	1.1
218.05901	34.1
219.06746	7.0
220.03696	1.4
221.04591	11.7
223.06105	1.3
225.17738	0.8
227.12973	7.7
233.04463	1.4
233.08214	24.0
234.05286	1.2
235.06133	6.4
236.04745	1.6
236.06952	44.6
245.37828	1.1
249.07701	4.5
251.09314	49.6
271.06149	1.3
285.03995	1.4
295.08368	1.2
339.08682	3.7
342.07321	1.6
343.08179	4.0
354.07593	1.1
355.08221	2.1
357.09814	3.5
358.10693	10.7
369.10129	0.9
370.10602	3.6
373.13089	17.8
385.13171	7.1
387.10886	1.7
397.13611	7.8
403.10239	5.2
403.14636	1.9
415.14462	2.1
417.11865	5.0
418.12634	6.0
431.13577	4.1
432.14029	1.3
433.09738	0.9
433.15231	20.3
581.20288	3.7
611.20856	1.3
629.22559	100.0
630.22833	3.6
670.24634	1.5
773.26001	1.5
891.10132	1.2
895.30457	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01405	3.7
72.99327	0.7
73.02977	0.9
73.50171	0.5
75.00893	2.5
76.16596	0.6
83.01424	0.8
85.02976	2.8
87.00888	1.2
89.02465	2.6
90.78281	0.6
93.03463	6.7
95.05997	0.7
101.02460	2.7
107.01413	2.7
107.05049	0.9
108.02213	2.5
109.02975	1.5
111.04536	0.7
113.02435	0.8
117.03478	3.5
119.05048	5.7
121.02956	19.2
125.02407	0.8
133.02846	0.7
134.03734	0.7
135.03029	3.1
135.04543	9.0
137.02466	3.6
143.05069	1.2
145.02956	9.1
149.02461	1.1
151.00381	7.8
152.01170	3.6
153.01939	1.5
161.02458	1.2
163.00368	2.7
163.04060	4.6
169.01358	0.7
173.04584	6.9
177.01976	3.8
178.99870	4.2
179.03514	1.2
187.04095	0.9
191.05629	11.3
192.04279	0.8
210.06670	0.8
211.03981	1.0
211.07686	13.9
213.05579	0.7
215.03400	0.7
223.07764	4.7
227.03520	39.0
229.05049	1.0
237.09309	1.5
239.03603	0.8
243.02989	2.8
254.01813	0.8
255.03015	61.5
256.03720	5.2
265.08685	4.7
266.92523	0.6
271.02548	17.0
272.03189	1.1
284.03308	54.9
285.04065	16.0
300.02808	31.1
300.06332	0.8
301.03561	20.8
309.07886	1.2
365.10687	0.7
383.12671	0.7
407.11810	0.7
425.13086	1.4
447.09424	100.0
448.09460	0.8
467.15079	0.9
777.21948	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75154	0.2
67.01529	0.3
67.01897	9.7
69.03457	3.3
71.01385	4.3
81.03455	2.3
83.05037	1.6
85.02966	1.5
87.00880	14.6
93.03458	91.1
94.03813	1.4
96.62646	0.2
97.02955	0.3
99.00901	1.7
99.04527	1.4
100.04068	0.2
101.02452	0.4
109.02945	0.5
111.04534	11.6
113.02457	1.1
115.04014	0.6
121.02960	100.0
122.03293	3.6
125.02500	0.4
127.04037	0.5
129.01941	2.2
133.02971	1.5
133.06615	0.5
134.03743	1.9
135.02960	0.3
135.04544	1.2
137.02449	15.0
137.03505	0.6
138.02779	2.4
145.03015	0.2
146.33365	0.2
151.04033	0.2
153.16621	0.2
155.03539	2.7
160.01718	0.9
166.05083	0.3
173.04564	33.4
174.05037	0.3
175.04034	1.5
178.02611	0.3
191.05629	5.8
194.05626	0.2
197.83830	0.2
205.05199	0.4
231.10271	3.3
275.09271	4.8
284.03098	0.3
285.04089	1.5
286.04477	0.4
288.68689	0.3
305.96317	0.3
378.83948	0.2
397.33603	0.2
417.12009	16.8
418.12152	2.1
449.14633	23.3
450.14755	0.3
476.15747	46.5
477.16287	0.4
838.91254	0.3
849.80652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02388	0.8
65.00348	0.4
71.01395	2.4
72.99306	1.0
73.02932	0.6
75.00884	14.7
77.03838	0.5
77.42236	0.5
83.01414	2.8
85.02980	1.1
89.02477	4.0
93.03461	7.2
101.02448	2.0
107.01402	4.7
109.03005	2.1
111.00906	2.3
113.02466	1.0
114.38337	0.5
117.01882	0.4
117.03458	1.1
119.05049	3.5
121.02950	11.8
123.00874	0.5
123.04445	0.6
125.02454	2.2
133.06625	2.8
135.00908	1.8
135.01973	1.1
135.03011	29.2
135.04594	2.2
137.02438	1.1
143.05020	2.9
145.02962	2.8
145.06647	1.2
148.04085	0.5
151.00383	5.3
153.01924	0.8
157.06635	0.5
159.04503	2.0
161.02466	0.6
161.04507	0.6
163.00388	4.4
163.04037	0.9
165.01970	0.6
166.05127	0.7
167.05069	0.6
169.01436	3.0
169.06566	1.0
171.04573	0.7
171.08167	0.9
173.04572	2.1
183.08138	0.6
185.06094	4.3
187.04033	4.2
189.05647	1.0
191.05646	5.1
195.04645	0.7
195.08195	3.0
197.06160	1.2
197.09784	3.5
197.11501	0.5
199.03926	0.6
210.03966	0.6
211.04066	2.9
211.07584	0.9
213.05638	3.1
223.04103	0.6
223.07697	7.5
227.03532	12.2
229.05078	14.1
237.09216	0.9
239.03546	1.9
239.10847	4.0
240.04291	2.0
241.05136	2.5
241.08784	2.1
241.10889	0.6
253.12259	0.5
255.03038	18.3
256.03638	3.0
257.04611	7.7
265.08780	1.1
267.03076	0.8
283.09741	4.2
284.03311	24.0
285.04089	100.0
286.04550	1.8
295.08487	0.6
300.02573	0.6
301.03354	0.5
327.08893	0.6
435.09366	0.7
445.11075	0.7
447.09271	4.9
471.12967	1.8
607.17432	1.1
671.17657	1.0
713.18726	7.1
731.19965	4.4
757.17999	8.2
775.18695	2.0
893.21979	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	893.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99341	0.9
75.00875	13.9
83.01391	0.8
85.02980	1.0
89.02465	3.4
91.01965	0.6
93.03471	5.5
95.01406	0.6
101.02420	1.2
107.01383	4.3
108.02209	3.2
109.02988	6.7
111.00903	1.1
116.92893	3.2
119.05035	2.4
121.02937	5.0
135.00871	1.0
135.03008	20.6
135.04550	1.2
137.02470	0.9
143.05029	0.8
145.03000	2.8
151.00348	4.8
151.04071	0.7
152.01135	3.6
153.01945	6.7
159.04544	1.3
163.00377	2.3
163.04037	1.2
165.02055	0.8
167.03676	0.6
167.04979	0.8
169.01469	1.1
169.06641	1.0
171.04556	1.2
171.08183	1.1
173.04575	3.4
175.04041	1.0
183.04573	0.6
185.06085	2.2
187.04027	3.4
191.03566	0.6
191.05670	5.0
195.08195	1.5
197.06044	0.9
197.09747	4.3
199.03995	0.9
211.03987	2.4
211.07661	1.3
213.05779	1.8
222.41814	0.6
223.07666	5.0
227.03546	21.9
227.07106	0.7
229.05089	10.9
239.03563	1.2
239.10861	3.1
241.04990	1.0
241.08676	1.1
253.44882	0.7
255.03030	29.9
256.03653	4.2
257.04578	8.5
265.08575	0.8
270.23190	0.6
283.09775	3.1
284.03308	37.1
285.04095	100.0
286.04285	1.4
300.02679	0.7
301.03281	0.8
301.30652	0.7
419.09976	4.7
447.09351	5.1
471.13284	0.8
481.17419	1.2
489.10428	10.6
538.39252	0.6
552.41772	0.8
651.28583	0.7
671.18005	0.9
713.18994	6.7
731.20032	6.3
743.81927	0.8
757.17682	5.0
772.20642	0.7
775.18793	2.3
878.42200	0.7
893.21136	3.4
893.36591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02421	1.8
65.00346	2.6
68.52095	0.4
72.99325	0.4
73.00966	0.4
80.25607	0.4
83.01409	2.4
87.00902	0.5
88.49125	0.4
89.02451	0.5
90.69729	0.4
93.03476	2.4
107.01395	7.8
108.02200	1.9
109.02962	2.7
117.03460	1.4
119.01358	0.5
119.05035	17.4
121.02947	6.3
133.06544	0.4
135.03021	6.9
135.04526	0.9
137.02451	0.9
145.02969	6.9
147.00758	0.4
148.01636	1.5
149.02458	1.6
151.00391	26.9
152.01053	0.5
159.04517	0.5
161.02440	1.5
161.06117	0.6
161.09805	0.5
163.00400	4.4
163.04024	10.4
164.01176	0.9
164.51419	0.4
169.01465	0.7
169.87358	0.4
175.04042	0.5
178.99878	13.1
187.03905	0.5
190.99873	1.5
191.05626	1.6
192.00691	0.7
199.04065	0.6
205.08719	0.9
211.04102	1.6
211.07747	0.7
215.03589	0.7
216.04419	0.5
222.06931	0.5
223.07701	2.4
226.02774	1.6
227.03595	4.2
229.05035	1.6
243.03032	6.7
245.04549	2.4
254.02176	0.7
255.00943	0.5
255.03018	24.7
271.02527	48.1
272.03116	2.5
273.04095	2.5
283.02405	1.6
284.03311	0.7
285.04041	1.8
299.01962	1.8
300.02792	100.0
301.03580	66.0
301.07120	0.8
302.03821	1.8
463.08975	11.2
463.28784	0.5
507.20657	0.5
609.12592	9.1
729.17841	3.0
772.17218	0.4
773.17334	17.3
774.18427	0.5
865.89893	0.5
891.20087	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	889.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	21.7
73.02952	3.2
87.00890	3.8
89.02465	17.3
101.02462	18.6
102.84137	2.6
113.02480	5.8
116.92879	2.9
119.03479	2.3
125.02440	4.0
171.10281	100.0
184.77495	2.7
235.08443	4.9
277.21756	85.6
370.08850	3.0
379.12564	13.4
397.13602	37.4
415.14612	5.0
551.24487	2.8
889.49518	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	889.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	17.8
73.02975	1.9
76.57984	1.1
81.03450	1.3
83.01437	1.1
85.02977	5.6
87.00884	4.8
89.02455	18.2
97.02928	2.1
101.02451	12.7
111.04529	1.2
113.02431	8.6
119.03550	2.3
119.30738	0.9
125.02447	5.1
125.09706	1.6
127.11300	1.1
143.03493	2.0
152.99593	1.1
153.09216	0.9
161.04581	2.1
171.10292	100.0
179.05688	1.2
179.76207	1.0
212.80365	1.1
221.06660	1.9
235.08237	4.6
277.21759	61.2
297.50821	1.0
323.10004	1.1
379.12442	14.2
397.13550	32.8
413.13541	1.0
415.14941	7.1
551.23944	2.2
555.03534	1.1
569.24597	4.0
657.35828	1.1
829.46362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	1.4
67.01912	0.8
71.01400	6.1
73.16648	0.7
81.03422	0.9
82.70625	0.9
83.01398	0.8
83.05031	1.4
85.02993	1.6
87.00894	1.0
89.02480	1.1
92.10876	1.1
93.03461	59.9
96.96018	1.5
101.02461	1.3
109.02982	3.5
111.04525	7.2
117.03473	0.9
117.69379	1.0
119.05042	0.9
121.02960	80.2
124.04925	0.9
127.04050	0.8
133.02989	1.8
134.03752	20.3
135.04578	1.9
137.02461	67.0
145.02960	1.3
146.35689	0.9
149.06088	3.8
150.03220	1.2
150.94414	0.9
151.04013	1.6
152.01144	1.4
155.03532	12.5
160.01700	12.1
165.01956	2.0
173.04567	100.0
175.04019	14.6
179.03514	12.3
191.05672	1.9
193.05070	21.7
194.05934	13.7
195.06639	1.8
207.10394	1.7
209.08199	10.4
209.11838	7.3
221.82442	1.1
225.07610	1.8
285.04089	1.8
287.54681	0.9
295.08276	56.1
334.06967	1.3
349.09354	35.7
376.25159	1.0
397.13480	1.1
451.15915	1.2
471.12991	29.0
705.32880	1.0
792.10162	1.3
825.33179	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5442
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67236	1.5
64.35551	2.3
67.03946	1.5
71.01400	3.5
85.02970	9.2
89.02466	2.8
92.10130	7.7
97.06577	2.9
101.02451	8.9
103.69627	1.6
113.02495	1.7
114.58012	1.7
161.04556	3.1
171.10272	3.6
183.13898	18.6
211.13409	7.0
229.14476	1.7
235.08221	14.5
251.16429	3.5
253.09271	24.4
277.21747	100.0
287.47797	1.7
291.19684	3.1
309.20724	8.3
327.21829	67.3
409.41855	2.0
513.31256	2.1
545.29926	7.0
587.43597	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	886.518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	100.0
73.71897	0.7
75.64579	0.8
78.95914	0.9
80.00639	0.7
84.81645	0.8
97.70366	0.8
125.98933	0.8
135.68756	0.9
135.93945	0.9
143.28723	0.9
273.58435	1.1
277.21701	0.9
278.22330	1.3
366.52664	0.9
477.04117	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	3.8
62.94889	2.8
71.01382	66.3
72.99334	3.3
73.02939	24.0
83.01414	6.8
85.02964	32.4
89.02456	40.8
95.01379	5.8
96.96011	5.2
101.02454	41.0
113.02464	74.8
119.03507	14.9
143.03546	5.5
161.04561	31.3
176.08746	2.9
179.05566	16.0
191.43817	3.1
220.93341	3.3
316.02527	3.1
575.26068	3.6
601.41553	7.3
763.46448	90.8
763.58887	3.5
781.47339	7.3
817.66705	3.8
823.48395	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	883.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01405	16.8
71.09177	3.5
73.02896	4.1
78.95934	3.6
85.02985	5.9
89.02453	22.8
91.58063	3.9
97.02951	6.8
99.43130	4.3
101.02458	24.7
109.06610	24.0
111.74006	4.1
113.02451	4.5
123.84612	4.4
125.02378	5.5
150.78903	3.7
163.02278	4.1
163.11324	20.2
201.11363	9.7
207.08548	6.8
207.10303	100.0
209.11778	10.2
210.12138	5.5
225.11375	49.6
228.82018	4.0
248.19640	3.9
276.31885	4.3
277.21695	61.4
303.22076	4.4
397.13647	27.8
415.14728	9.3
772.05292	4.9
858.11603	4.6
883.46808	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01405	16.8
71.09177	3.5
73.02896	4.1
78.95934	3.6
85.02985	5.9
89.02453	22.8
91.58063	3.9
97.02951	6.8
99.43130	4.3
101.02458	24.7
109.06610	24.0
111.74006	4.1
113.02451	4.5
123.84612	4.4
125.02378	5.5
150.78903	3.7
163.02278	4.1
163.11324	20.2
201.11363	9.7
207.08548	6.8
207.10303	100.0
209.11778	10.2
210.12138	5.5
225.11375	49.6
228.82018	4.0
248.19640	3.9
276.31885	4.3
277.21695	61.4
303.22076	4.4
397.13647	27.8
415.14728	9.3
772.05292	4.9
858.11603	4.6
883.46808	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01929	1.6
69.47124	1.2
71.01395	13.2
73.02941	1.8
83.05072	1.3
85.02962	7.5
87.00900	4.9
89.02454	2.2
93.03458	78.6
97.02940	2.0
99.00861	1.9
101.02470	2.4
108.02167	2.1
109.02977	3.3
110.17783	1.4
111.04533	7.2
113.02508	1.4
115.00363	6.5
117.03486	6.6
119.03529	1.4
119.05023	23.0
121.02962	100.0
125.02473	2.0
127.04105	1.4
133.02939	2.1
135.04556	9.6
137.02455	63.0
143.05067	9.5
145.02954	22.6
147.04594	1.7
155.03526	17.8
157.17537	1.4
161.05994	1.7
163.04019	19.3
165.01906	3.2
166.02782	1.4
171.10265	1.7
173.04550	47.5
180.04031	1.5
191.05615	36.3
209.11824	10.7
211.07663	39.4
215.07257	3.2
221.09811	1.7
223.07658	8.1
225.11394	2.4
237.09259	6.2
265.08853	14.1
271.04611	5.0
283.09726	2.5
285.04144	2.1
295.08368	1.8
301.07187	2.1
309.07758	3.1
319.08328	18.5
327.08780	19.3
339.90869	1.3
397.13507	2.2
427.08902	8.4
449.14737	3.3
483.13190	12.4
485.36270	1.5
551.36053	1.8
605.16760	3.3
639.16931	5.1
761.20660	17.2
883.24603	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98860	0.5
64.31171	0.4
67.01901	2.5
69.03475	0.8
69.78273	0.4
71.01376	4.2
81.03452	0.9
82.43639	0.5
83.05036	1.1
85.02953	0.9
87.00889	2.1
89.02448	2.6
93.03461	42.4
94.03811	0.4
95.01373	0.5
98.68563	0.4
99.00906	0.5
101.02497	0.8
109.02970	1.1
111.00909	0.8
111.04528	5.1
113.02507	0.6
117.03482	3.4
119.03604	0.5
119.05035	14.9
121.02962	56.5
125.09729	0.6
127.04074	0.5
135.04547	1.1
136.88806	0.5
137.02460	38.8
145.02975	21.1
150.03236	0.6
155.03552	9.4
163.04039	12.4
165.05469	0.6
173.04575	100.0
191.05618	7.5
197.11856	4.4
198.12180	0.9
201.11435	0.6
207.10249	0.5
209.11830	6.7
210.12175	0.8
211.07613	0.6
215.07170	0.8
223.76772	0.4
225.11372	2.1
243.12451	0.5
293.40222	0.5
295.08289	57.7
296.08957	0.7
319.08276	19.1
441.11981	14.8
449.14526	1.0
579.10175	0.5
850.38849	0.7
851.39008	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	879.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
64.03838	2.5
71.01397	17.3
72.65764	2.5
89.02477	19.5
90.16573	2.8
99.00879	21.1
101.02465	14.5
113.02452	3.0
116.92793	2.8
123.08094	3.0
125.09726	5.3
147.29860	2.7
163.11279	10.5
171.10326	5.0
181.12376	18.8
197.11880	5.1
199.13461	6.9
207.10268	30.5
210.13727	2.8
221.06752	3.5
225.11356	45.8
243.12329	27.7
255.23302	62.8
288.51236	2.8
291.05716	3.1
291.19647	3.2
397.13614	10.7
437.79160	3.1
861.47638	5.6
879.49786	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	881.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03474	8.3
71.01379	23.0
71.05070	1.2
73.02942	3.4
81.03471	2.3
83.01433	1.7
83.05034	6.1
85.02964	8.2
87.00906	7.0
89.02435	18.7
93.03460	24.7
97.02976	1.6
99.00896	1.8
101.02454	16.4
111.04514	2.1
113.02459	6.4
119.03506	5.3
119.05031	3.2
121.02949	10.0
123.08183	1.6
124.81767	1.4
125.02445	2.2
125.09737	2.4
135.04527	5.4
137.02426	15.1
137.29248	1.4
145.03009	5.5
150.03186	1.5
151.11349	2.0
161.04512	1.7
161.09750	6.3
162.03203	1.9
163.03995	2.4
163.11296	3.1
165.05640	1.6
165.12912	2.1
165.36824	1.5
173.04599	17.5
179.10802	10.9
181.12329	1.7
191.05574	5.5
197.11861	100.0
209.11865	84.9
221.06583	5.0
225.11363	1.8
227.12994	2.4
241.10884	10.9
295.08279	1.7
397.13107	1.8
408.79636	1.4
429.10248	1.6
449.14679	8.4
507.85150	1.7
849.37817	66.2
849.54224	2.4
881.40643	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02928	0.4
93.03458	3.0
99.48933	0.4
105.03512	0.4
105.73198	0.4
109.02955	1.5
117.03482	0.5
119.05013	0.5
121.02957	6.7
122.03735	11.4
123.00896	0.6
124.01675	0.9
133.02945	2.4
134.03706	0.4
135.04573	0.7
136.01648	0.7
137.02440	3.8
137.43004	0.4
139.04016	0.6
145.02966	2.0
149.02448	16.8
149.03606	0.8
150.03236	100.0
151.00359	7.0
151.03983	2.0
152.01135	0.6
152.04874	0.5
162.03149	0.5
164.04829	3.5
165.05576	94.6
165.12843	3.3
166.02719	23.7
166.13155	0.6
167.03368	0.8
168.55951	0.4
173.04587	0.4
175.04021	0.8
176.04730	0.4
177.01906	0.9
177.05545	0.5
178.02769	0.4
179.03549	0.4
180.04269	6.6
181.05070	20.7
183.13922	17.3
183.15555	0.6
184.14218	4.1
185.14496	0.4
187.03998	0.6
191.05600	2.0
195.06645	50.3
195.91232	0.4
203.03607	0.5
205.05035	1.8
207.06699	0.5
209.11777	0.6
219.06747	0.6
220.07422	1.6
221.08195	0.7
227.12938	11.2
228.13232	2.9
229.13524	0.4
356.12341	0.5
359.11453	0.8
387.10220	4.9
387.15231	5.2
402.13284	2.5
417.15622	23.8
524.89661	0.4
565.20789	3.2
583.22009	1.4
613.23102	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	879.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
76.30633	0.6
92.10891	1.2
93.03471	2.9
95.05006	0.6
103.94048	0.6
107.05090	0.8
109.02959	4.3
112.47771	0.5
121.02969	8.7
122.03735	10.5
123.00910	1.1
123.04474	0.9
125.02387	0.6
133.02963	1.1
135.04552	1.2
136.01701	1.1
137.02463	20.6
139.00325	0.7
139.04025	1.4
140.48532	0.6
145.02988	1.0
147.04506	0.8
149.02473	29.7
149.06099	1.4
150.03247	100.0
151.00406	10.3
151.04088	4.5
152.01196	0.8
152.04823	6.0
153.05649	0.7
159.04572	1.1
161.02325	0.7
162.03252	0.9
163.04030	0.8
164.04837	6.2
165.05585	91.2
166.02731	41.2
166.03806	0.8
166.04176	0.8
167.03448	3.6
173.04660	0.8
175.03989	2.8
177.01947	1.1
177.05547	3.1
178.02733	0.8
179.03430	2.3
179.07167	0.8
180.04312	8.1
181.05093	47.7
182.05328	0.7
184.03735	1.5
187.03973	3.9
187.34976	0.6
190.06407	0.9
191.03487	1.2
192.04333	1.3
193.05066	3.2
195.02893	0.8
195.06633	32.5
204.04297	0.8
205.05070	10.7
206.05865	1.0
207.06693	1.3
209.11778	0.6
219.06613	1.2
220.07446	6.8
221.08232	1.2
235.09850	0.8
274.46426	0.7
282.05408	0.6
297.07736	0.6
315.08765	2.3
329.10333	2.6
341.09906	0.8
355.12003	1.2
359.11234	0.7
372.12460	1.1
386.13757	0.9
387.10318	8.0
387.15240	6.0
402.13342	5.1
416.14545	1.2
417.15628	43.9
505.15244	0.7
535.16461	3.5
550.18549	1.1
565.20898	49.0
566.21088	1.2
583.21515	2.3
595.21747	2.6
613.23029	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.481
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	1.2
65.99688	0.9
69.03488	4.1
69.29446	1.0
71.01394	10.7
73.02968	1.5
82.82732	1.0
85.02959	2.2
89.02459	12.0
93.03466	1.3
99.00875	1.2
101.02451	9.9
113.02466	4.6
119.03521	2.3
125.02422	1.9
136.89229	1.4
153.12819	1.1
161.09755	1.7
179.10796	5.6
197.11853	74.7
221.06598	2.5
235.08127	1.4
241.10847	2.6
255.23338	48.1
614.95160	1.3
877.48114	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	877.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	0.9
69.03468	4.7
71.01385	14.8
71.05029	0.5
72.99313	0.8
73.02943	1.0
73.14394	0.5
75.85999	0.5
83.01398	2.1
85.02934	3.9
87.00871	1.3
89.02447	13.0
97.02955	3.3
99.00874	1.3
101.02461	11.2
111.00977	0.7
113.02451	4.3
113.48668	0.5
119.03502	2.9
123.08147	0.7
125.02422	2.2
125.09687	2.8
137.09631	0.6
143.03409	0.7
149.09698	0.6
151.11282	2.5
161.09747	4.4
178.27321	0.6
179.10750	8.1
197.11858	57.3
221.06808	1.2
223.09769	0.8
235.08340	0.8
238.18973	0.5
241.10866	3.1
255.23340	71.0
256.23590	1.1
370.56790	0.7
397.13388	1.4
563.27301	0.6
585.28296	0.6
753.63934	0.6
877.48145	100.0
878.48700	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	875.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	0.1
69.03471	0.1
71.01392	0.3
73.02943	0.2
75.00887	0.0
77.03987	0.2
81.03497	0.1
83.05061	0.2
85.02972	0.3
87.00888	0.1
91.51971	0.1
93.03464	1.2
97.03014	0.1
101.02451	0.1
103.65852	0.1
105.03429	0.1
107.05061	0.1
109.02962	0.1
111.00938	0.1
111.04524	1.3
117.03468	0.1
119.05044	0.2
121.02966	100.0
122.03298	1.7
123.04521	0.5
127.03957	0.1
129.01938	0.2
133.02969	1.0
133.06569	0.1
135.04539	1.1
137.02469	0.4
139.76625	0.1
145.02968	0.1
149.02435	0.1
153.05614	0.7
155.03540	1.6
161.02461	1.5
163.04019	0.1
173.04579	3.4
179.03534	0.3
185.06047	0.1
191.05670	0.4
211.07689	0.3
227.03528	0.3
229.05028	0.3
255.02942	0.4
257.04620	0.1
284.03317	0.6
285.04074	1.5
295.08276	24.6
296.08646	0.7
333.06274	0.1
335.07852	1.3
346.89911	0.1
359.42981	0.1
417.12003	3.0
419.13821	0.2
447.09497	0.2
455.10059	0.1
457.11429	1.3
539.10352	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	877.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70977	0.2
68.19460	0.2
71.01383	1.2
81.03477	0.4
83.01395	0.4
85.02962	0.5
93.03466	2.5
95.01392	0.3
101.02455	0.3
107.01398	0.5
107.05008	0.2
108.02184	100.0
109.02968	18.3
119.05010	1.8
121.02957	6.7
123.00891	0.4
123.04527	1.4
125.02428	0.4
133.03003	0.8
134.03758	0.3
135.00899	0.5
135.04494	0.9
137.02452	0.3
137.41084	0.2
143.05043	0.6
145.02933	1.2
147.04549	0.4
151.00430	1.0
151.04018	2.2
152.01170	64.8
153.01958	21.8
153.02945	0.3
157.62169	0.2
159.04512	0.4
161.02441	0.2
163.04044	2.7
164.04265	0.4
165.01907	0.6
173.04565	0.5
185.06175	1.6
186.30771	0.3
187.04012	1.1
188.04411	0.4
189.05585	0.3
191.05638	1.3
211.04292	0.3
211.07686	6.3
212.04587	0.3
212.07999	3.7
213.05560	1.0
213.08232	0.4
227.03546	2.7
228.03903	1.3
229.05305	2.1
230.05452	1.1
239.03548	0.3
240.03922	0.3
241.05008	0.5
255.03041	4.6
256.03351	2.9
257.04425	2.3
258.04941	0.4
259.05179	0.3
261.44818	0.3
265.08563	0.3
283.02554	0.3
284.03293	7.7
285.04007	20.2
286.04333	11.8
287.04611	4.0
399.13071	0.3
419.09918	78.9
420.10242	1.3
447.09421	2.6
448.10022	2.5
449.09689	2.0
752.88806	0.3
758.17725	0.5
759.18176	2.3
877.20123	0.3
879.57288	0.3
894.20605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	11.4
73.02956	2.1
83.01416	1.5
85.02977	1.5
87.00900	1.3
89.02431	14.0
97.02968	1.6
97.06621	1.7
101.02428	9.9
113.02457	7.1
119.03514	1.7
121.03022	1.0
125.02472	1.4
136.07925	1.1
151.11292	12.3
161.04561	1.8
169.12360	78.1
179.05554	1.7
213.11360	11.2
221.06665	4.4
275.20160	1.1
277.21722	26.0
314.10098	1.2
611.25189	1.4
871.47180	100.0
872.47626	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.396
Annotation	Unknow
Peak:m/z	Relative Intensity
63.60566	0.2
73.02962	0.5
99.92592	7.8
114.93439	0.5
116.92867	100.0
116.97248	2.6
117.01962	0.4
117.92919	0.9
121.09840	0.2
121.10966	0.2
892.16382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02409	1.2
65.00328	0.7
68.05824	0.2
75.00869	2.8
79.64645	0.3
83.01389	0.5
87.00878	0.4
89.02470	0.6
91.01954	0.3
92.10781	0.3
93.03463	3.6
107.01398	3.5
109.02963	1.3
115.00449	0.3
117.01976	0.5
117.03445	2.4
119.05028	17.0
121.02945	1.3
123.04536	0.4
131.05045	0.4
132.02158	0.5
133.02971	0.4
133.06607	0.5
135.00909	1.1
135.02998	5.2
135.04604	0.3
137.02527	0.4
141.07114	0.3
143.05072	1.9
145.02966	8.6
145.06639	0.4
151.00371	5.7
153.01987	0.6
154.04269	0.4
157.06613	1.0
157.69971	0.3
159.04517	1.3
161.06068	0.4
163.00336	2.9
163.04027	8.5
164.01140	0.4
167.05042	0.6
169.01434	0.5
169.06602	0.7
171.04543	1.6
175.03989	0.3
183.04485	0.5
185.06084	2.9
187.04012	3.6
189.05597	1.5
190.99873	0.3
191.05702	1.0
195.04471	0.5
196.05405	0.3
197.06113	1.4
199.04031	1.3
200.04898	0.3
201.05588	0.6
211.04132	2.0
211.07632	4.5
213.05595	2.3
214.02757	0.4
223.07765	2.2
226.02870	0.3
227.01271	0.6
227.03545	19.4
228.04149	0.4
229.05083	12.6
235.07838	0.4
237.09248	1.5
239.03526	2.1
240.04282	1.5
241.05048	2.1
243.03064	0.4
255.03023	35.0
256.03754	4.0
257.04599	9.6
265.08740	2.0
267.03079	1.3
283.02457	0.5
284.03296	50.2
285.04080	100.0
286.04428	1.1
307.08188	0.6
309.07547	0.4
327.05179	0.3
327.08749	1.1
447.09244	4.2
471.13315	0.4
545.09607	0.7
589.15210	0.5
593.13123	15.8
713.18951	4.5
757.17902	20.1
774.96674	0.3
823.33276	0.3
875.20459	4.0
875.40131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
108.95508	0.7
115.22740	0.6
116.92757	0.7
167.39212	0.7
267.00308	0.7
277.21777	1.6
278.22076	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18285	0.2
70.02994	8.2
71.01386	1.0
72.00925	3.0
72.04565	1.8
73.03020	0.2
74.02484	45.9
75.00906	0.6
85.02972	1.0
88.45774	0.2
89.02481	0.6
92.10183	0.5
93.03472	1.3
98.02483	11.7
101.02482	1.0
105.03672	0.2
108.02201	4.5
109.02974	1.8
110.96788	0.2
111.00922	0.4
113.02487	0.3
116.02702	0.4
116.03552	17.9
116.05067	21.4
119.05053	0.4
121.02969	0.6
130.06639	2.4
135.03046	1.2
135.04530	0.4
142.06641	4.9
152.01175	4.0
153.01935	0.6
156.08214	0.3
159.09308	5.3
161.04729	0.3
163.04033	0.3
165.05618	0.3
165.93983	0.3
173.04549	1.0
183.09308	1.5
186.05618	1.4
191.05595	3.7
201.10364	5.5
203.08307	61.5
204.08629	0.4
245.09344	100.0
246.09679	1.2
271.02560	0.4
289.08270	0.5
300.02734	1.1
301.03513	0.5
409.07898	3.8
463.08939	1.3
871.25732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.5128
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98847	4.7
70.03109	2.9
71.01380	37.5
73.02946	6.5
73.70653	3.1
83.01425	4.2
85.02960	12.8
89.02454	31.7
101.02452	24.8
113.02463	26.4
119.03507	7.4
137.69327	3.1
161.04602	7.9
179.05624	8.3
235.87468	3.3
305.34509	3.5
421.65170	3.9
453.34247	3.8
506.19568	4.1
747.47131	100.0
765.48413	27.9
807.49811	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.425
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	6.5
64.34781	1.5
71.01384	20.4
73.02965	6.6
80.02681	1.4
81.03446	2.6
83.01397	2.4
83.05046	7.8
83.42484	1.6
83.89021	1.4
85.02986	3.9
87.00877	2.5
89.02461	21.9
93.03471	2.6
101.02450	18.5
106.01163	1.6
106.74696	1.6
113.02443	6.6
119.03495	7.2
121.02976	8.6
125.02501	2.2
135.04506	3.3
137.02475	2.2
139.48796	1.6
151.71733	1.7
161.04529	1.8
163.11194	1.6
165.12843	13.4
173.04579	3.5
179.05553	2.0
183.13910	96.8
186.16641	1.5
191.05595	7.6
209.11873	78.3
227.12964	14.5
235.08307	2.1
329.23273	1.9
415.13937	1.8
678.42114	2.1
835.39923	100.0
836.40942	2.2
855.00476	2.2
867.42865	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	867.425
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	0.3
62.87836	0.2
63.19237	0.2
66.74647	0.2
70.73615	0.2
71.01386	8.1
71.05036	0.3
72.99318	0.3
73.02970	1.4
80.02702	1.3
81.03470	1.9
83.01419	1.3
83.05029	4.7
84.02202	1.1
84.05897	0.2
85.02973	2.3
87.00881	1.7
89.02452	8.4
93.03457	1.5
95.01425	1.2
95.05038	0.4
97.02979	1.3
99.00888	0.4
101.02456	5.7
109.02952	1.0
109.06607	0.5
111.04508	0.3
113.02457	3.8
117.03471	1.2
119.03518	1.9
119.05022	0.4
121.02979	1.2
123.04486	0.5
125.02433	2.7
125.06093	1.0
125.09742	0.4
135.04556	1.0
135.08148	0.6
137.02480	0.3
143.03534	0.5
145.02979	1.3
147.11743	0.3
149.02446	0.3
152.01038	0.3
154.32356	0.2
161.02499	0.3
161.04576	1.6
163.03911	0.3
163.11301	4.9
165.02019	0.4
165.12828	3.6
171.10251	0.5
173.04585	1.5
179.03458	0.3
179.05663	1.7
181.12306	0.5
186.88641	0.2
191.05624	1.4
191.10832	1.3
207.10359	0.4
209.11874	100.0
210.12190	1.3
211.07657	0.3
212.11247	0.3
215.89359	0.2
221.06689	0.5
225.11223	0.3
227.12949	12.0
235.08290	1.9
245.11920	0.3
251.12944	0.3
263.07861	0.3
284.03262	0.3
285.04111	1.0
287.07632	0.3
305.08743	1.0
323.09708	0.4
326.16522	0.3
358.40643	0.3
379.12497	3.0
385.13129	0.4
397.13589	17.6
398.14148	0.4
415.14496	4.0
419.71863	0.2
471.34961	1.6
489.01205	0.3
559.91797	0.3
589.25201	1.3
607.26312	2.8
718.10754	0.3
799.37891	0.9
867.38916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99805	1.8
77.65825	1.9
92.10807	4.7
96.99315	19.4
97.91761	2.0
103.05560	2.3
141.01720	100.0
153.35303	1.9
191.93073	2.0
195.80693	1.8
209.11877	37.1
217.81090	1.8
227.12814	3.7
231.10017	8.4
249.09795	2.8
275.06268	2.9
277.21851	19.9
283.51273	1.8
309.70114	2.3
359.21890	2.4
445.20486	2.1
862.71423	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	865.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27053	1.8
65.44109	1.9
68.99833	2.1
96.99309	21.7
112.32059	2.1
132.02924	2.1
141.01711	100.0
166.14635	2.1
166.92467	1.9
194.93323	2.3
209.11844	19.6
219.77545	2.2
227.29201	2.5
231.10023	3.7
277.21829	28.9
352.37558	2.6
359.22174	3.0
374.50424	2.3
375.85770	2.2
610.42096	2.2
663.73096	2.3
707.44232	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.533
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79897	0.5
61.98832	4.0
63.76278	0.4
65.31278	0.4
71.01384	3.6
73.02942	0.5
83.69951	0.5
85.02945	0.9
89.02444	2.7
92.65380	0.5
98.32597	0.5
101.02430	4.2
111.08161	3.2
113.02460	1.2
122.59400	0.5
140.26836	0.5
141.77637	0.5
161.04546	1.0
169.12349	1.8
171.10123	0.6
197.11848	18.1
199.13429	0.7
199.20947	0.5
209.15460	2.8
211.13446	2.5
223.17096	0.7
225.15036	5.0
235.08299	5.9
251.16541	2.0
253.09367	10.2
263.19934	0.7
273.18619	1.9
275.20163	0.6
277.21753	100.0
278.22214	0.9
291.19708	14.1
291.22928	0.8
309.17139	1.0
309.20767	29.1
513.30859	0.8
527.29102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99316	2.8
67.01894	9.3
69.03460	3.3
71.01388	3.8
72.99303	0.3
73.02944	0.6
74.92707	0.2
77.04000	0.3
78.53447	0.2
81.03472	1.8
83.01421	0.3
83.05049	1.5
85.02959	6.4
87.00875	13.2
88.99592	0.3
89.02470	0.2
93.03458	65.4
97.02948	0.4
97.06647	0.3
99.00902	2.0
99.04529	1.7
101.02465	0.5
105.03461	1.7
108.02159	0.4
109.02985	1.5
111.04531	9.8
113.02467	1.3
117.03490	1.1
121.02957	100.0
122.03280	0.4
124.01662	1.2
125.02410	1.0
127.04044	2.4
129.01938	1.9
131.42081	0.3
132.02197	2.5
133.02956	6.1
134.03745	9.2
135.04530	18.6
136.96193	0.3
137.02467	2.8
139.04028	0.5
143.03479	0.5
149.02489	0.3
150.03279	0.5
151.04016	2.5
155.03545	3.2
160.01669	12.1
161.02460	1.8
162.03271	3.8
163.04092	0.5
167.42490	0.3
171.03008	0.3
172.05202	0.3
173.04561	29.8
177.01933	2.8
177.05624	0.3
178.02728	3.3
179.03502	4.7
180.04167	0.3
187.07626	0.4
191.05638	87.7
197.11818	1.1
201.11424	0.4
209.11989	0.4
229.08679	0.5
231.10291	5.0
257.08258	5.5
266.10754	0.3
275.09286	8.1
307.08145	0.6
308.09030	1.4
351.07236	2.8
352.07895	2.3
417.11978	20.7
418.12234	0.5
449.14621	84.4
450.15015	1.0
770.64929	0.4
867.39905	0.4
884.82574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
62.43760	0.2
68.70929	0.2
71.01389	9.3
72.91647	0.3
72.99332	0.3
73.02945	2.6
75.00882	1.6
77.01340	0.2
80.55716	0.2
83.01407	0.5
85.02953	4.4
87.00884	0.6
89.02448	6.8
92.10854	0.6
93.03469	0.4
97.02927	0.6
99.00884	0.5
101.02449	11.0
113.02464	4.3
114.39495	0.3
115.04018	0.3
119.03513	1.7
119.05002	0.6
121.02961	100.0
122.03294	1.7
130.18858	0.2
131.03502	0.6
135.03078	3.3
135.04538	40.3
136.03339	0.5
136.04854	0.6
137.02444	0.4
143.03432	0.3
145.05060	1.2
151.06134	1.5
161.04547	1.6
163.04039	4.1
163.06131	6.1
164.04405	0.3
175.06197	0.3
179.05675	0.4
181.07188	7.2
191.05655	0.5
193.05038	0.3
205.07225	2.1
223.06087	0.6
248.08086	0.3
283.08163	0.3
295.10275	3.8
325.11481	33.8
326.11908	0.3
417.14240	3.6
447.15250	20.2
448.15176	0.3
499.18011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40685	0.2
61.13334	0.2
71.01382	9.7
72.99316	0.5
73.02949	2.9
75.00892	0.2
83.01418	0.4
85.02954	5.0
87.00874	1.3
87.04550	0.2
87.67730	0.2
89.02445	6.7
93.03461	0.4
95.01395	0.3
97.02966	1.2
99.00874	0.8
99.55318	0.2
101.02446	10.3
103.04004	0.2
113.02455	3.3
115.04020	0.8
119.03496	2.0
119.05010	0.2
121.02959	100.0
122.03294	1.3
125.02470	0.3
127.04000	0.3
131.03500	0.9
133.06659	0.2
135.04532	44.0
136.04869	0.4
137.02467	1.2
143.03505	0.4
144.08511	0.2
145.05112	1.2
147.04544	0.3
151.06125	1.4
152.68521	0.2
157.05110	0.3
161.04582	1.4
163.04037	4.6
163.06125	6.0
165.32828	0.2
179.05664	0.2
181.07210	7.9
191.05614	1.2
193.05069	0.2
205.07185	2.5
223.06157	0.7
250.36400	0.2
279.09454	0.2
283.08292	0.3
295.10413	0.8
325.11472	38.6
326.11777	0.8
328.98865	0.2
369.21075	0.2
417.14020	3.2
447.15182	22.0
448.15286	0.8
472.59732	0.2
484.65649	0.2
774.92578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05420	0.4
60.30183	0.4
61.28920	0.3
69.03463	0.9
71.01382	19.0
72.99319	1.7
73.02956	2.9
74.89054	0.4
80.02711	1.0
81.03477	1.0
83.01405	2.2
83.05027	5.6
84.02171	1.7
85.02945	4.6
85.13959	0.4
85.21069	0.4
87.00882	4.5
87.17642	0.5
89.02446	16.6
93.03455	0.4
95.01376	0.9
95.05058	0.6
97.02940	3.4
99.00881	1.0
101.02451	13.1
101.03102	0.7
103.16212	0.5
113.02454	7.4
116.04881	0.4
116.92906	0.5
119.03500	3.9
125.02464	6.0
131.03506	0.7
135.08179	0.8
139.03941	0.4
141.01746	0.7
143.03540	1.7
161.04562	3.2
163.11298	4.9
165.12880	2.5
179.05608	2.6
191.10823	1.7
209.11876	100.0
210.12259	0.5
217.07162	0.6
221.06662	0.8
227.12956	11.7
235.08270	5.0
255.23337	65.0
256.23746	0.5
287.07834	1.0
297.24554	0.5
305.08688	0.9
323.09961	0.6
379.12543	6.8
397.13571	38.9
415.14648	9.0
589.24890	0.5
607.26483	0.8
635.36981	0.5
653.38031	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	863.501
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	13.0
81.03519	3.1
83.05015	4.3
85.02986	3.1
89.02454	12.5
97.02947	4.7
101.02451	15.6
113.02474	9.8
116.92854	21.7
119.03506	3.9
130.86736	2.3
148.07486	2.4
150.38254	2.3
152.99492	2.6
163.11275	5.8
165.12798	2.7
183.38286	2.6
209.09863	3.7
209.11853	100.0
218.94370	2.3
227.12881	5.8
235.08202	4.0
255.23309	67.8
265.03702	2.5
291.37320	2.6
379.12491	4.4
397.13565	43.9
402.94943	2.9
405.25601	2.5
415.14709	5.4
614.76422	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	865.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66084	0.2
65.00350	0.6
70.70898	0.2
71.01398	1.0
71.93006	0.2
82.55262	0.2
83.01414	0.6
85.02976	1.1
89.02466	1.3
91.01917	0.3
93.03465	1.6
95.01391	0.3
96.95994	0.3
101.02452	0.6
107.01391	2.2
108.02207	1.4
109.02961	2.3
113.02443	0.4
119.03457	0.3
121.02956	6.3
122.03326	0.4
123.04552	0.6
124.01654	1.3
125.02435	1.2
135.00883	0.4
135.03003	0.4
135.04555	1.8
137.02470	1.1
138.27908	0.3
145.03024	0.3
148.01671	1.1
149.02434	0.4
149.99567	0.4
151.00383	9.8
151.03990	2.8
152.00975	0.3
153.01967	0.6
155.10753	1.1
161.02551	0.3
162.03310	0.4
163.00330	2.2
163.03976	0.5
166.99866	0.3
168.00656	1.7
169.01265	0.4
173.04657	0.5
175.04063	0.6
178.99884	4.9
182.15416	0.3
187.04152	0.4
191.05615	4.0
201.05576	0.4
211.04008	0.6
215.03487	1.2
226.02806	1.2
227.03537	2.1
229.05171	0.4
241.01497	0.4
243.03003	8.3
244.03549	0.5
245.04564	0.5
253.08745	0.4
254.02307	1.9
255.03024	21.4
256.03439	2.3
257.03680	0.3
271.02521	50.2
272.02945	4.3
273.03360	1.7
283.02478	1.3
291.83932	0.3
292.03604	0.3
299.02124	1.1
300.02802	100.0
301.03503	37.7
302.03604	4.7
303.04065	0.5
313.46600	0.3
349.42816	0.3
355.10437	1.5
461.06711	0.4
463.08923	76.1
464.09076	6.6
465.09268	4.4
465.19815	0.5
643.20819	0.3
715.10535	0.3
823.24530	0.4
865.24200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	19.0
71.21083	2.0
76.81817	2.4
85.02975	3.6
87.00882	3.0
88.13390	1.9
89.02463	12.9
97.03001	3.7
101.02454	15.7
113.02477	8.8
116.92901	3.9
119.03501	3.0
119.36642	2.2
120.68006	2.2
125.02446	5.0
130.58675	2.0
165.12823	9.4
179.05565	3.1
183.13910	73.7
221.06819	2.4
227.12895	9.9
255.23351	54.4
261.74335	2.2
273.93198	2.7
279.65030	2.0
397.13641	4.2
531.43872	2.2
545.70880	2.4
755.84326	2.3
863.50189	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	863.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
68.77992	17.3
74.67491	18.0
95.47263	17.3
183.13896	47.7
255.23347	100.0
805.45575	22.6
863.50531	97.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15359	0.6
71.01381	12.2
71.01749	0.7
71.01940	0.6
71.68085	0.6
73.02966	1.2
80.02673	1.2
82.27712	0.7
83.01421	3.2
83.05020	5.3
84.02177	0.8
85.02960	2.5
87.00898	1.5
89.02453	12.0
89.52787	0.7
92.10770	3.1
97.02956	1.2
101.02438	8.7
113.02480	6.5
116.92868	0.9
119.03534	1.6
125.02493	3.2
143.03545	1.0
161.04626	0.8
163.11322	4.8
165.12880	3.7
179.05655	3.0
183.54628	0.7
191.10869	0.8
209.11862	100.0
221.06625	1.1
227.12877	9.2
235.08217	4.7
255.23334	43.2
287.07678	0.8
379.12503	5.9
397.13586	25.4
415.14679	5.8
589.25220	1.4
607.26465	0.8
740.57428	0.8
863.49915	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01187	0.2
61.77438	0.2
63.02400	0.3
65.00329	0.4
70.37817	0.2
70.45766	0.2
70.51196	0.2
71.01388	0.3
83.01422	1.0
85.02960	0.8
89.02489	0.3
93.03465	1.5
101.02475	0.3
107.01371	1.8
108.02197	1.0
109.02936	1.7
115.40113	0.2
119.05085	0.3
121.02954	4.0
125.02451	0.8
135.00867	0.3
135.03006	0.4
135.04527	1.4
137.02440	0.5
148.01672	1.2
149.02454	0.4
151.00383	9.9
153.01956	0.5
160.92950	0.2
161.02484	0.4
161.95346	0.3
163.00392	1.9
163.04041	0.3
164.01201	0.4
169.01454	0.4
173.04527	0.5
175.04039	0.4
178.99873	4.7
179.03551	0.3
183.04507	0.3
187.04057	0.5
190.99916	0.2
191.05630	4.7
192.05943	0.3
197.04584	0.4
199.04050	0.8
201.05562	0.4
203.03424	0.2
210.03282	0.3
211.04071	1.4
215.03583	0.3
216.04399	0.3
226.02809	1.5
227.03555	1.9
229.04979	0.4
239.03551	0.3
242.02014	0.4
243.03008	8.8
244.03754	0.3
245.04535	1.6
253.08733	0.4
254.02298	2.1
255.03029	23.1
270.01694	0.9
271.02524	52.4
272.03082	2.8
273.03983	0.9
283.02582	1.1
291.61362	0.3
299.02036	1.2
300.02798	100.0
301.03571	37.8
301.07217	0.5
302.03699	0.3
461.07495	0.2
463.08932	80.6
464.09470	1.8
475.12097	0.2
667.07703	0.2
863.30341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.406
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98852	9.6
62.05468	5.6
67.11609	5.5
71.01407	10.3
72.92955	5.8
97.02952	12.6
99.00937	7.2
100.66521	5.3
116.92850	10.9
125.09766	7.9
138.34808	7.2
148.46004	6.0
157.24954	6.4
163.11267	13.3
179.10822	33.5
181.12401	25.7
191.10793	13.6
197.11859	11.2
207.10294	48.6
209.11829	33.3
223.09749	48.1
225.11293	46.8
277.21738	100.0
453.88342	7.2
476.50009	6.4
713.40546	6.5
719.40070	61.8
731.40472	27.4
747.39691	32.0
749.40948	7.9
775.38855	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	861.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61098	1.6
61.98845	3.0
69.03480	2.1
71.01400	2.8
83.05000	1.7
92.10777	6.7
97.02978	2.9
97.69678	1.9
101.02477	2.7
113.02460	1.8
125.09717	3.4
136.05351	2.0
147.55777	1.9
163.11285	3.8
179.10854	4.3
181.12440	3.6
191.10760	4.3
197.11844	3.2
205.06761	1.9
205.08739	3.8
207.10321	20.1
209.11925	17.2
223.09918	16.9
225.11400	9.4
229.65697	2.0
235.09869	3.4
251.09633	2.1
277.21793	100.0
331.31583	2.0
397.13507	2.4
447.03650	2.2
587.35986	2.7
719.40417	26.8
731.40271	10.8
747.39282	17.4
749.42346	6.6
775.39301	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	861.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48573	0.2
62.23262	0.2
71.01387	10.1
72.99344	0.5
73.02966	1.1
74.11927	0.2
76.39250	0.3
83.01403	1.1
85.02952	3.3
85.06596	8.7
85.07109	0.4
87.00894	0.9
88.98793	0.3
89.02445	14.1
92.10020	0.2
93.03459	0.3
95.01408	0.9
96.96002	0.9
99.00856	0.4
101.02443	9.6
109.29841	0.2
112.73214	0.2
113.02462	5.6
113.06102	2.2
115.07660	1.8
119.03495	5.9
119.04973	0.3
121.02953	1.7
127.07644	1.1
131.07143	47.6
133.02953	0.4
135.04535	0.9
137.02496	0.2
142.49619	0.2
143.03467	0.6
161.02440	1.8
162.02792	0.5
163.04039	0.3
165.05579	0.3
173.04561	0.4
173.08195	1.6
179.03537	0.4
179.05589	0.5
191.05644	2.2
192.06157	0.2
248.74847	0.2
256.40674	0.2
264.39560	0.3
293.12469	100.0
294.12808	1.1
529.16821	0.3
640.25055	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.99535	0.3
63.17544	0.2
65.00341	0.6
68.87082	0.2
71.01405	0.6
74.02480	0.6
82.67574	0.3
83.01393	0.4
85.02955	0.6
93.03481	2.3
95.78478	0.3
100.19755	0.2
101.02453	0.4
107.01405	2.7
108.02233	1.2
109.02969	1.6
114.82711	0.3
121.02970	3.5
123.04561	0.3
125.02378	0.3
135.00911	0.4
135.04541	1.9
137.02461	1.4
145.02934	0.3
147.04541	4.5
148.01689	1.1
149.02473	0.4
150.99181	0.4
151.00391	11.6
152.01160	0.4
153.01874	0.3
160.64709	0.3
161.02473	0.5
162.59000	0.3
163.00414	2.5
163.03975	0.4
164.01163	0.4
165.01950	0.4
165.05586	3.5
166.27188	0.3
169.01466	0.7
173.04584	1.6
178.99886	5.2
179.03627	0.4
188.42010	0.3
191.05589	3.6
193.01422	0.3
201.05640	0.4
203.08284	1.4
207.06708	0.5
211.04051	1.2
211.07826	0.3
226.02733	1.1
227.03482	2.4
229.05043	1.1
243.03030	9.6
244.03700	0.4
245.04616	1.1
245.09325	2.1
254.02104	2.4
255.03018	24.9
271.02533	48.3
272.03101	1.9
273.04083	1.2
283.02463	1.2
292.95325	0.3
298.71494	0.3
299.01941	1.4
300.02805	100.0
301.03586	33.9
301.07166	0.5
302.04105	0.3
343.04498	0.3
353.09012	0.4
392.59378	0.3
475.12250	0.3
517.81085	0.4
609.14771	71.9
610.14813	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	859.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	9.8
71.52171	9.4
83.13111	10.5
86.81180	9.8
105.01868	11.3
118.34077	10.9
150.99619	11.5
174.00362	11.5
211.13353	11.4
235.08246	28.8
253.09395	23.0
266.46707	13.1
277.21750	100.0
327.21881	86.4
563.29730	12.8
859.49957	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	41.0
62.77683	21.6
62.78245	24.1
81.49667	21.5
82.27880	22.4
104.93303	25.8
116.92931	28.0
210.07896	24.6
278.07571	29.6
379.16077	29.0
482.74615	30.1
859.46460	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	851.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	28.8
61.98831	5.6
69.03487	1.5
71.01384	80.5
71.01778	2.7
72.99321	1.7
73.02956	3.1
80.02706	1.4
81.03478	2.2
83.01429	1.3
83.05041	7.5
85.02969	6.5
87.00882	6.3
89.02434	17.9
92.10064	1.5
93.03460	2.9
95.05045	1.5
96.96059	1.3
97.02970	9.1
97.06602	1.4
97.67884	1.4
99.00880	2.8
101.02438	15.8
103.58227	1.4
109.02973	1.8
109.06606	12.8
113.02471	8.4
119.03504	3.0
121.02953	11.1
123.04588	1.3
125.02431	5.3
125.09703	2.7
135.04521	6.7
135.08197	1.6
137.02521	1.7
150.03235	2.9
161.04628	1.8
161.09691	1.7
163.11314	18.6
165.05536	5.1
165.12860	2.3
171.10283	18.6
173.04559	5.0
179.05550	2.1
181.12318	5.7
185.11913	2.1
191.05635	7.5
195.06648	2.2
201.11362	14.5
202.48384	1.4
207.10287	39.1
209.11855	100.0
225.11371	38.3
227.12895	9.3
235.08128	5.4
243.12381	4.7
257.53964	1.4
282.26459	1.8
285.04016	1.7
397.13498	21.8
415.14590	8.1
623.25653	5.9
815.37457	2.4
833.38287	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	853.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	0.4
71.01385	10.5
72.99281	0.3
73.02946	3.1
75.00864	0.3
76.82405	0.2
83.01389	1.1
85.02956	4.3
87.00885	0.5
88.25368	0.2
89.02444	5.5
93.03442	0.2
93.74979	0.2
95.01400	0.6
97.02966	1.2
101.02445	7.3
103.04025	0.3
108.02188	0.3
113.02460	4.6
115.04008	0.6
119.03505	1.6
119.05039	0.4
121.02962	100.0
122.03313	0.4
125.02431	0.5
131.03491	0.4
135.04536	62.8
136.04898	0.3
143.03511	0.4
145.03026	0.5
147.04594	0.3
150.77858	0.2
161.04585	2.6
163.04028	5.9
163.06091	3.6
175.05934	0.3
179.05655	0.5
181.07208	7.2
191.05644	1.8
193.05084	0.6
205.07213	0.5
211.06203	0.5
223.06187	1.5
247.08307	0.6
283.08286	1.9
325.07559	0.5
325.11465	18.2
447.15158	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.3
63.72746	0.2
71.10988	0.2
73.02941	1.8
87.00900	0.3
93.03481	0.3
99.00892	1.3
99.92585	11.5
114.93448	0.3
116.92865	100.0
117.01943	2.5
117.03452	0.9
117.92884	0.5
121.02944	0.5
145.02966	2.5
145.22188	0.3
146.73579	0.2
161.41454	0.2
273.14514	0.3
357.71677	0.3
399.87241	0.3
439.35779	0.3
581.07410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.5389
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21596	7.3
65.29572	8.4
69.57622	8.2
77.08975	8.9
82.95427	13.4
84.00928	100.0
92.66035	7.9
97.45063	7.4
106.18415	9.0
206.56012	9.4
211.44229	9.7
277.21771	94.5
316.09930	8.1
328.28802	8.1
344.65921	8.3
399.58432	9.4
538.52295	10.9
774.49628	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	859.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
71.38896	0.6
86.65948	0.6
95.46810	0.6
97.43171	0.7
99.92592	2.3
116.92860	2.6
117.92939	0.7
134.89493	100.0
139.01152	0.7
140.96661	0.6
172.32309	0.8
174.45363	0.7
325.89688	0.7
430.89740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	17.6
69.28637	2.8
71.01387	6.3
89.02451	16.1
95.43297	3.0
101.02450	17.7
104.78436	3.0
125.02281	2.9
151.11307	13.4
169.12352	56.5
169.80434	3.4
203.37424	3.2
213.11282	4.7
255.23354	64.4
300.70044	3.7
428.98862	3.8
849.48767	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	849.5383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.6
59.09412	1.3
59.74946	1.3
60.76041	1.5
61.36514	1.5
62.30998	1.4
71.01399	1.7
92.10801	1.7
98.36617	1.9
101.02467	1.8
102.19566	1.6
113.02473	1.8
127.90884	1.7
145.82152	1.6
195.13884	9.8
223.13351	3.0
235.08214	1.7
253.09286	12.2
256.87808	1.7
257.38040	1.6
275.20230	17.2
277.21750	100.0
293.21274	82.4
403.83630	1.8
730.70203	1.9
839.04211	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	851.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01409	0.2
78.91420	0.2
81.03455	0.4
83.68904	0.2
85.02962	0.3
90.89433	0.2
93.03443	0.5
95.01397	0.3
97.72219	0.2
107.05026	0.3
108.02184	100.0
109.02975	17.6
121.02954	5.5
122.73715	0.2
123.04534	1.2
131.30830	0.2
133.02969	1.4
135.00894	0.4
135.04512	0.8
151.04036	2.0
152.01170	61.9
153.01956	18.5
153.02969	0.2
153.03276	0.2
163.03999	1.8
165.01993	0.3
181.05122	0.3
185.06108	0.3
227.03551	1.3
251.22064	0.2
255.03123	1.7
284.03265	1.7
285.04178	1.6
297.06238	0.3
395.91257	0.2
419.09927	69.6
420.10455	1.6
431.09796	1.4
579.50250	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	21.6
59.63470	0.4
66.52177	0.4
67.01914	2.1
69.03463	7.7
71.01387	16.9
71.05031	2.5
72.99335	0.6
73.02938	3.3
75.00873	0.7
80.02695	2.2
81.03471	2.1
83.01416	2.4
83.05025	7.9
83.05402	0.4
84.02175	1.1
85.02963	5.6
87.00860	4.9
88.98793	0.7
89.02448	14.9
92.10123	1.4
93.03452	7.7
95.01395	0.8
95.05038	1.1
97.02956	2.2
97.06604	1.0
99.00905	1.2
101.02446	13.4
109.02995	0.6
111.04552	1.9
113.02449	5.9
119.03541	3.3
119.05051	0.5
121.02974	2.7
123.08217	1.0
125.02459	2.9
125.09702	5.0
133.02997	0.6
134.03732	0.6
135.04529	0.6
135.08180	1.2
143.03549	0.9
145.02953	3.7
151.11293	3.8
153.12863	0.8
161.04588	1.9
161.09764	5.3
163.11325	4.9
165.12874	4.5
171.07417	0.5
171.10254	0.5
173.04529	4.4
179.03532	0.5
179.05663	1.0
179.10834	9.3
181.12352	2.1
191.05630	2.9
191.10840	1.1
197.11871	70.8
207.10291	0.6
209.11877	100.0
210.12239	0.5
210.99019	0.6
221.06674	4.1
223.09789	1.0
225.11391	0.9
227.12936	3.2
235.08376	0.5
239.84131	0.6
241.10834	4.4
242.92809	0.7
263.71173	0.7
302.08218	0.5
397.13290	1.1
449.14743	5.4
540.33124	0.6
849.37726	88.6
850.37939	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	849.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	0.4
59.01394	9.1
71.01389	9.4
72.20694	0.3
72.99291	0.4
73.02954	5.6
74.03416	0.3
75.00876	7.7
81.40737	0.2
83.01389	0.5
85.02972	3.8
87.00918	1.1
89.02444	5.7
93.03464	0.5
97.02964	0.5
99.00915	0.7
101.02442	8.8
107.50397	0.3
113.02453	3.8
114.24941	0.3
115.03996	0.6
119.03503	1.6
121.02956	100.0
122.03294	1.4
131.03514	0.5
135.04530	63.5
136.04848	0.7
137.02449	0.5
143.03615	0.6
147.04526	0.4
149.94661	0.3
154.33456	0.3
161.04567	1.2
163.04010	7.3
163.06090	2.6
181.07205	13.0
191.05673	0.5
193.05110	0.5
205.14331	0.4
223.06197	1.5
283.08334	0.7
325.11435	9.3
401.10922	27.2
447.15155	36.0
448.15701	0.4
516.41541	0.3
636.76337	0.3
772.18439	0.4
878.11884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.3
61.98835	4.9
62.52600	0.4
69.11240	0.4
71.01388	2.1
72.95213	0.4
73.02936	0.4
85.02922	0.4
89.02432	0.4
93.03452	5.3
95.01382	0.6
95.05028	0.5
101.02463	0.6
108.02184	0.9
109.03008	0.8
110.50815	0.4
121.02961	22.0
122.03749	17.1
123.00880	1.4
123.04520	1.7
124.01679	1.0
125.02458	0.7
132.02136	0.8
133.02983	2.0
134.03758	0.6
135.04533	13.0
136.01665	24.9
137.02466	4.8
139.03972	0.7
147.04561	2.2
149.02460	35.7
149.06099	2.1
150.03242	100.0
151.00414	4.6
151.04027	28.1
152.01187	1.8
153.01970	0.6
154.02794	0.6
159.04530	0.5
160.05296	1.0
161.02463	0.7
161.06119	0.8
162.03201	0.8
163.03989	3.7
164.04800	7.0
165.05583	85.2
166.02740	19.1
166.05841	0.6
167.03506	4.5
172.05328	2.0
174.03166	0.4
175.04015	5.8
175.07596	0.7
176.04868	0.5
177.01964	0.8
177.05591	0.9
179.07207	0.5
180.04344	6.9
181.05084	22.0
187.07674	0.6
189.05598	4.4
190.06390	9.7
191.03638	0.7
191.05624	0.8
195.06650	35.0
196.07045	0.6
201.11298	0.4
205.05133	1.6
205.08772	2.3
206.05968	0.6
207.06424	0.4
207.10367	0.7
209.11858	3.6
221.08266	0.9
223.09807	0.5
225.11304	0.5
249.11076	0.5
266.05865	0.7
279.07001	0.4
282.05505	1.8
297.07852	0.5
309.07721	0.8
314.08038	0.7
315.08759	2.9
324.10059	0.6
325.07477	0.5
326.11691	0.6
329.10333	3.3
340.13300	0.6
342.11169	1.8
351.91318	0.4
355.12094	0.6
356.12753	2.3
357.09796	5.0
357.13632	8.5
372.12292	5.3
373.13022	0.7
386.13983	2.4
387.14542	37.7
388.14832	0.8
490.16101	1.5
505.18878	2.1
535.19849	47.2
536.20264	1.4
553.21075	0.9
565.21051	2.2
583.21979	26.7
598.07306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.8
60.15105	0.6
61.98843	1.2
71.01390	2.8
83.01395	0.6
85.02934	0.9
89.02493	1.0
93.03436	4.5
95.01392	0.7
101.02460	1.0
109.02984	0.9
116.92840	1.1
121.02974	9.8
122.03749	10.5
123.04601	0.7
124.72730	0.7
133.02965	0.9
135.04555	3.3
136.01665	12.8
137.02438	3.4
149.02457	18.9
150.03239	100.0
151.00395	2.8
151.04030	16.1
152.09834	0.7
164.04829	5.1
165.05582	97.6
166.02742	10.4
171.10284	1.5
173.04509	1.4
175.04089	0.9
180.04292	5.6
181.05083	11.6
189.05457	0.7
190.06415	1.4
191.05598	1.2
195.06651	50.2
201.11389	1.1
204.86458	0.7
205.05095	0.9
209.11894	5.9
211.13358	2.6
223.09853	0.9
225.11288	1.0
229.14537	0.7
233.08334	0.7
329.23270	7.0
342.11096	1.0
357.09784	3.7
357.13672	5.4
372.12198	1.6
387.14563	23.0
535.19623	5.3
553.20642	1.1
583.21783	10.8
876.40955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.6
62.21740	0.3
65.90950	0.3
66.22167	0.3
71.01383	5.3
71.81155	0.3
72.99316	0.8
73.02943	2.3
75.00874	20.0
75.01307	0.7
77.27285	0.3
85.02969	0.6
87.00880	8.7
89.02432	2.9
90.70651	0.3
93.03474	1.3
99.00871	3.8
101.02460	1.4
108.02135	0.4
109.02987	0.5
113.02461	0.7
115.00407	0.4
117.01941	10.4
118.26167	0.3
119.03465	0.4
121.02959	100.0
122.03293	0.6
135.03021	4.3
135.04532	8.6
137.02457	0.3
141.42657	0.3
142.84837	0.3
149.00688	2.7
152.01178	0.4
163.04056	1.2
173.04532	0.3
181.07201	0.6
183.35164	0.3
191.05634	4.5
192.99625	1.6
219.05099	2.0
279.07483	0.6
287.06799	1.4
309.08267	0.6
325.11395	0.4
341.08862	6.8
394.12500	0.3
401.10956	76.0
402.11417	0.8
431.11908	3.4
532.96179	0.3
698.48340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.9
61.25817	0.3
62.65128	0.3
69.46815	0.3
71.01383	7.4
72.99310	2.3
73.02946	0.5
75.00875	75.2
83.01416	0.5
85.02953	1.7
87.00892	0.4
87.39828	0.3
89.02440	3.8
92.88557	0.4
93.03497	0.4
99.00892	0.7
101.02433	3.1
113.02455	1.6
117.01913	0.5
117.03461	0.5
119.04988	0.4
121.02958	69.1
122.03224	0.3
125.02473	0.5
129.01944	8.2
135.04532	52.5
137.02394	0.6
145.02972	3.0
146.03296	0.8
147.03011	2.8
151.06119	0.5
158.74438	0.3
163.04031	6.7
165.04147	0.4
191.05705	2.4
195.06659	1.5
199.59700	0.3
295.10403	1.7
417.14102	1.3
430.14392	0.7
431.11990	100.0
432.12521	1.4
499.67691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.9
61.25817	0.3
62.65128	0.3
69.46815	0.3
71.01383	7.4
72.99310	2.3
73.02946	0.5
75.00875	75.2
83.01416	0.5
85.02953	1.7
87.00892	0.4
87.39828	0.3
89.02440	3.8
92.88557	0.4
93.03497	0.4
99.00892	0.7
101.02433	3.1
113.02455	1.6
117.01913	0.5
117.03461	0.5
119.04988	0.4
121.02958	69.1
122.03224	0.3
125.02473	0.5
129.01944	8.2
135.04532	52.5
137.02394	0.6
145.02972	3.0
146.03296	0.8
147.03011	2.8
151.06119	0.5
158.74438	0.3
163.04031	6.7
165.04147	0.4
191.05705	2.4
195.06659	1.5
199.59700	0.3
295.10403	1.7
417.14102	1.3
430.14392	0.7
431.11990	100.0
432.12521	1.4
499.67691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.2
72.99272	0.6
82.82809	0.6
87.48409	0.6
89.02451	1.1
107.05031	0.6
112.79967	0.6
113.01204	0.7
119.05037	1.3
121.02956	0.7
130.81195	0.6
149.00726	0.6
154.23055	0.6
162.33824	0.7
163.04033	1.2
180.04370	0.7
191.05649	0.8
221.76620	0.7
225.90738	0.6
398.19193	0.7
441.19052	100.0
442.19409	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	5.7
69.03491	0.8
71.01402	4.9
83.05061	2.9
85.02995	0.9
85.22477	0.7
89.02464	3.2
97.02953	0.9
101.02457	3.5
102.71597	0.7
111.08176	3.3
113.02454	1.4
119.03616	0.7
125.93793	0.9
161.04631	1.1
163.11314	4.2
165.12851	5.4
171.10287	1.5
175.55898	0.8
181.12372	1.4
197.11880	17.6
209.11885	100.0
211.13441	4.2
227.12959	10.6
235.08327	3.6
247.20837	1.1
253.09343	8.8
291.19754	15.0
309.20792	36.4
345.52084	0.9
435.93460	1.2
445.20929	3.4
527.28571	1.1
545.29785	2.0
771.72058	1.1
776.87292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
64.34566	0.8
65.29433	0.7
71.01399	1.3
73.49697	0.8
79.09121	0.7
92.65673	0.9
110.19382	0.8
150.28693	0.9
168.26450	0.9
191.05537	1.1
207.10281	1.0
209.11914	1.4
210.12241	1.2
513.68884	0.9
546.09454	0.9
644.19067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.8
61.98838	5.3
66.95539	3.7
71.01369	6.3
77.20612	4.1
89.02451	4.9
93.09554	3.9
97.06613	9.0
123.08155	4.3
125.09711	100.0
151.92932	4.3
187.09805	72.1
262.13956	4.0
277.21680	9.6
329.10175	4.3
471.34848	90.6
472.35379	6.4
480.33978	5.3
648.37567	4.4
845.45691	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58873	0.1
67.88441	0.1
71.01389	16.5
75.00888	0.5
93.03482	0.2
114.99561	0.2
115.00390	9.0
121.02971	100.0
122.03304	0.7
126.50199	0.1
128.58115	0.1
135.03009	1.4
163.04115	0.1
164.52286	0.1
191.05611	0.8
227.03387	0.2
237.04094	11.1
255.03076	2.0
283.02539	3.9
284.03351	0.4
285.04166	0.5
446.08835	0.6
609.14648	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	847.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01113	0.6
59.01386	11.3
62.24847	0.4
71.01388	9.7
73.02933	1.0
73.69499	0.5
74.57173	0.4
75.00861	0.6
78.15637	0.4
83.01389	0.8
83.87736	0.6
85.02931	1.8
89.02449	2.2
93.03448	1.1
99.00916	0.5
101.02453	3.2
107.01408	0.5
108.02190	3.0
109.02979	1.8
113.02459	1.0
117.03564	0.5
119.03483	0.6
121.02963	96.3
121.38428	0.4
125.02422	0.5
135.04538	100.0
145.02963	4.4
151.00427	2.0
152.01170	6.6
153.01968	3.0
156.84129	0.6
161.04576	0.7
163.00426	0.8
163.04022	10.4
165.02087	0.4
172.98125	0.5
175.03987	0.6
177.21686	0.5
191.05650	3.9
193.05144	0.7
211.03941	1.8
223.06120	1.8
227.03540	48.4
228.03893	0.8
229.05063	2.1
233.02272	0.5
239.03474	0.5
255.03030	66.9
256.03735	6.4
257.04608	1.0
271.02722	0.8
276.79379	0.5
284.03308	69.9
285.04074	23.8
315.07407	0.9
327.05365	1.0
399.13028	74.2
400.13550	1.9
427.16605	0.6
447.09402	74.5
448.10172	2.1
461.10956	3.8
477.10864	0.9
632.45837	0.4
770.01514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.8
60.99322	0.2
62.98091	0.1
67.01898	2.0
69.03474	0.3
71.01385	2.8
81.03490	0.3
83.05050	0.3
85.02968	0.4
88.60814	0.2
89.02461	0.3
93.03458	15.5
99.00887	0.2
101.02434	0.2
109.02953	0.6
111.00919	0.6
111.04524	4.2
111.08195	0.3
113.02459	0.8
114.39731	0.2
121.02957	20.5
127.04091	0.2
131.51273	0.2
132.94638	0.2
133.02986	0.3
133.41339	0.2
135.04518	0.3
137.02467	4.0
140.49294	0.2
155.03517	4.5
161.02454	0.9
165.12856	5.1
173.04565	100.0
174.04898	0.7
183.13924	18.8
184.14328	0.2
209.11858	0.3
225.14952	0.2
227.12943	22.4
251.12920	0.7
276.75366	0.2
277.76706	0.2
295.08282	35.4
296.08737	0.2
335.07782	0.3
389.18274	6.2
457.11594	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	841.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.2
60.95123	0.1
61.87828	0.1
68.16275	0.1
73.02952	0.7
82.55263	0.1
99.00890	0.4
99.92586	6.5
114.93423	0.8
116.92864	100.0
116.97197	1.4
117.01947	1.4
117.92871	1.0
206.13000	0.2
206.85475	0.2
233.43001	0.2
352.19849	0.2
373.55374	0.2
374.24713	0.2
459.43396	0.2
594.71454	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40672	37.0
65.88396	36.7
66.45016	37.0
121.34969	48.8
177.57704	42.0
205.26569	48.3
277.21820	100.0
654.09912	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.489
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92365	16.6
92.10799	100.0
101.31198	18.8
124.25214	18.2
143.00566	16.3
150.03494	17.9
153.78481	16.5
298.60110	20.6
422.35516	26.1
438.59827	20.3
694.06042	23.3
817.25555	22.5
841.48486	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	841.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
61.98831	0.4
62.91898	0.3
71.01391	20.8
72.99319	2.2
73.02959	0.4
74.19239	0.3
78.14732	0.3
83.01425	0.8
85.02966	5.3
87.00896	0.8
89.02454	26.8
92.10132	0.6
95.01401	2.1
95.96809	0.3
99.00919	0.4
101.02452	11.8
113.02453	9.6
119.03506	11.5
131.03516	1.7
133.02931	0.4
134.03708	0.5
135.04529	0.7
143.03455	3.0
144.39066	0.3
149.04573	0.5
160.01657	0.4
161.02487	0.5
161.04613	3.4
175.04018	0.6
179.05621	13.7
198.79675	0.3
207.10254	0.3
209.11830	0.4
366.46112	0.3
391.27466	0.3
593.48590	0.5
601.41357	0.8
663.18152	0.4
679.38617	2.3
781.47662	20.7
782.48578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	3.9
61.46352	0.4
62.39440	0.3
66.35840	0.4
66.61630	0.3
71.01379	2.0
73.02944	0.7
75.00873	0.5
75.47537	0.4
81.04777	0.3
83.01390	0.4
85.02956	0.3
93.03464	3.3
101.02422	0.5
106.04250	5.9
107.05037	98.2
108.02182	1.7
108.05374	0.7
119.05027	1.7
121.02956	100.0
123.04549	0.9
124.08820	0.4
135.04527	6.9
137.02464	0.4
138.03210	0.6
145.02931	0.5
147.04610	0.4
149.06082	0.9
151.03896	0.5
152.62524	0.4
157.12346	0.9
160.04089	0.4
161.06059	3.4
173.04581	1.5
179.03607	0.5
183.08095	0.4
183.81384	0.4
185.11943	0.6
191.05678	2.3
203.12935	6.9
204.13246	1.8
211.07680	8.4
245.13991	2.5
246.14352	0.6
255.03009	1.7
256.03479	0.4
271.02545	0.5
284.03461	0.7
285.04001	1.6
286.04630	0.4
300.02713	0.8
301.03378	0.8
316.99524	0.4
445.11481	70.2
446.12015	1.9
472.12540	0.9
476.78360	0.4
844.90173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.4
61.98842	100.0
63.09155	0.2
75.39112	0.3
81.23980	0.3
82.67463	0.3
101.67649	0.2
117.03450	2.1
123.98972	0.3
144.79228	0.3
145.02994	3.5
150.60201	0.3
172.63757	0.3
191.95860	0.3
252.39357	0.3
471.25662	0.3
503.33780	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01133	0.4
59.01397	2.6
59.37653	0.4
61.98834	0.7
65.03980	0.5
67.01899	2.9
71.01384	3.2
81.03445	0.5
87.00877	0.9
88.98744	0.4
92.40555	0.5
93.03458	62.9
101.02453	0.5
109.02955	0.9
111.00935	0.7
111.04535	4.7
115.10830	0.5
117.03454	3.2
119.05030	14.0
121.02959	59.5
122.03295	0.7
125.02521	0.4
127.04046	0.4
134.03773	0.7
135.04530	2.3
137.02451	72.4
145.02977	17.9
155.03526	11.8
161.02512	0.6
162.92973	0.4
163.04016	12.5
173.04562	100.0
174.04837	0.9
184.44853	0.4
191.05659	2.4
216.54817	0.4
241.08740	2.0
256.25479	0.5
295.08279	63.3
296.08621	0.7
319.08267	22.5
403.10257	0.6
441.11984	15.3
441.17795	0.7
491.60172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.4
61.98839	10.4
65.40104	6.5
71.01396	7.2
81.65649	6.8
96.85728	6.5
99.00922	9.1
101.02422	7.2
111.08170	8.0
125.09737	10.4
163.11273	10.6
181.12401	26.6
196.35056	6.2
197.11880	38.2
207.10391	49.5
209.11865	97.2
211.13353	9.1
225.11404	100.0
243.12360	11.0
253.09233	9.0
289.18268	14.3
291.19806	27.0
300.66354	6.8
307.19226	25.5
309.20862	55.4
356.86600	7.6
376.27258	7.2
461.20428	10.6
753.40796	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	839.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	19.0
71.01395	1.4
71.01760	0.3
73.02930	0.3
75.00877	0.3
85.02956	0.6
87.00889	0.3
93.03448	1.8
101.02447	0.6
111.04527	1.6
113.02491	0.4
121.02960	100.0
122.03288	3.9
123.03571	0.4
123.04520	6.2
131.05067	0.4
132.05710	0.3
133.03018	0.4
133.06602	27.2
134.03793	0.3
135.04509	1.3
137.02484	0.3
152.01122	0.6
153.05592	7.9
153.06734	0.5
154.05931	0.5
155.03511	1.7
157.56372	0.2
161.02512	1.7
161.04596	0.4
173.04532	4.2
191.05629	1.7
203.05693	0.5
232.71638	0.3
274.23090	0.2
285.50037	0.3
295.08282	27.9
296.08557	0.5
335.07755	1.7
337.12888	1.3
417.11850	0.9
418.12451	0.4
419.13461	1.0
424.07431	0.3
457.11401	2.0
477.31070	0.3
498.16180	0.3
578.15363	0.3
776.60590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.8
62.06128	1.3
67.01894	1.8
71.01411	6.3
87.49234	1.4
89.02454	2.9
93.03472	23.7
96.96030	3.1
107.04975	1.5
109.02959	5.9
111.04518	1.7
116.92860	2.5
117.03495	3.6
119.05070	7.0
119.11850	1.5
121.02956	26.6
122.03746	13.0
123.00882	2.2
132.52794	1.6
133.02956	3.1
134.03842	2.1
135.04565	3.5
136.01669	7.5
137.02451	38.0
145.02997	13.9
149.02472	33.3
150.03250	100.0
151.00403	10.7
151.04037	18.6
153.01959	1.9
158.70638	1.5
161.02531	1.8
163.04082	5.8
164.04828	10.4
165.01956	98.4
165.05583	86.1
166.02734	39.5
167.03525	2.1
173.04561	29.8
175.03981	3.1
177.01955	2.9
177.05542	2.6
179.03517	23.2
179.07191	7.8
180.04305	66.0
181.05078	40.0
191.03526	2.9
191.05623	3.3
194.05779	2.9
194.64746	1.4
195.06660	93.7
205.05109	9.8
209.08231	2.7
209.11887	3.7
210.05400	8.7
211.07722	3.8
220.07439	1.9
225.07706	27.6
275.45853	1.6
285.04178	2.7
295.08408	14.9
319.08246	3.3
373.13251	11.7
387.10342	2.8
387.14767	8.7
397.13333	1.8
402.12988	2.0
403.14240	5.9
417.15619	24.6
421.14972	2.9
565.20972	13.6
594.21051	2.0
595.21930	15.4
613.23004	2.4
639.18042	1.8
643.24487	3.7
743.27643	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	839.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
68.76038	0.2
70.95558	0.2
73.02953	0.4
73.38133	0.3
77.06506	0.3
88.90281	0.2
90.19769	0.2
91.50920	0.3
96.52280	0.3
98.91624	0.3
99.92592	7.6
102.78405	0.2
114.93400	0.4
116.92866	100.0
117.01963	0.3
117.92876	0.6
272.31973	0.3
315.48679	0.3
364.51184	0.3
372.11359	0.3
849.22559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
65.48280	0.6
68.83507	0.7
73.02976	0.8
76.57505	0.7
99.92598	7.3
111.31033	0.7
116.92870	100.0
116.97302	1.0
117.92906	0.9
271.59732	0.7
308.09106	0.8
359.42297	0.7
452.91910	0.9
469.34375	0.8
774.43579	0.9
819.38379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
62.81974	0.3
66.12711	0.3
71.01406	0.4
73.02960	1.3
92.10149	0.5
96.07227	0.3
99.00890	0.7
99.92590	7.5
99.95058	0.3
116.92867	100.0
116.97272	2.8
117.01941	2.3
117.92878	0.6
123.46954	0.4
175.05379	0.3
222.01941	0.3
252.70256	0.4
382.46841	0.4
404.67276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.2
69.03452	0.3
71.01403	0.6
73.02975	0.3
81.03481	1.4
85.02958	0.6
89.02452	0.3
93.03477	1.7
95.01395	0.5
98.81416	0.3
102.89825	0.3
106.69828	0.3
107.01334	0.3
107.05022	0.3
108.02184	100.0
109.02966	25.5
113.02429	0.3
121.02965	7.5
122.02496	10.1
122.03308	1.7
123.00890	0.4
123.03600	0.3
123.04535	1.8
125.02463	0.5
133.02971	1.5
134.03711	0.3
135.00882	0.4
135.04535	2.6
135.68719	0.3
136.04845	0.4
137.02444	0.5
142.05045	0.4
151.04033	2.5
151.06126	0.6
152.01170	72.3
153.01953	25.9
153.03271	0.3
163.04057	2.4
165.01991	1.3
173.04567	0.3
185.04709	0.4
186.05627	3.5
189.10313	0.3
191.05638	1.8
195.03072	0.4
213.04544	0.3
214.05148	1.7
225.04179	0.6
267.30203	0.3
297.06201	1.5
320.39893	0.3
371.82513	0.3
418.14664	0.4
419.15164	0.4
420.09454	89.8
421.09738	2.1
471.83850	0.3
501.38409	0.3
656.66138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37332	0.3
59.01397	2.5
66.66888	0.3
67.59199	0.2
71.01379	0.5
75.00886	1.4
78.06029	0.3
81.03481	1.2
85.02946	1.1
93.03467	2.2
95.01391	0.4
101.02499	0.5
107.05063	0.4
108.02187	100.0
109.02976	17.0
113.02496	0.5
119.05059	1.2
121.02950	5.5
123.04517	1.4
133.02969	0.7
135.00880	0.5
135.04530	1.3
151.04015	2.1
152.01170	59.7
153.01956	19.6
153.02887	0.3
163.04012	2.3
165.01939	0.6
165.05597	0.4
173.04565	0.3
177.04057	0.5
179.03510	0.3
191.05659	1.7
209.99248	0.3
419.09909	76.2
420.10220	2.2
593.16577	0.3
837.37634	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	837.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	0.6
59.01384	8.1
59.20329	0.3
59.47883	0.2
70.56248	0.3
71.01382	11.0
72.99329	0.5
73.02945	9.8
75.00885	0.6
83.01402	1.3
85.02974	2.0
87.00877	57.5
89.02439	3.1
93.03452	6.7
94.03806	1.8
97.01241	0.3
98.19816	0.3
99.00879	0.8
101.02438	3.6
103.04028	0.5
109.02976	0.5
113.02463	1.2
113.99361	0.3
119.03562	0.3
121.02953	75.7
122.03294	0.7
125.02456	0.5
129.01936	0.7
135.04529	70.4
136.04900	0.5
137.02446	15.6
138.02771	4.3
147.03078	0.4
147.04587	0.5
151.04065	0.4
159.04466	0.4
161.04601	0.3
163.04022	6.9
173.04564	0.7
175.02422	0.3
175.04012	0.5
182.40178	0.3
191.05611	4.1
192.06000	0.4
193.05014	0.4
217.05028	0.4
223.06230	0.7
287.06003	0.4
337.09271	1.2
337.59515	1.5
371.09894	0.5
431.12012	100.0
432.12433	1.9
470.77090	0.4
503.73285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01139	0.1
59.01392	0.9
59.02079	0.1
59.39371	0.1
66.07959	0.1
69.31302	0.1
71.01379	1.2
72.50852	0.1
73.02950	3.0
74.27888	0.1
85.02964	0.2
87.00880	0.6
89.02470	0.6
90.88319	0.1
92.10741	0.2
93.03459	0.2
98.34241	0.1
98.85497	0.1
101.02457	0.6
103.04031	0.5
109.03022	0.1
113.02440	0.1
119.03506	0.4
119.05058	0.2
121.02963	100.0
122.03288	1.1
132.98782	0.1
135.04507	0.2
137.02455	0.2
147.03011	0.2
160.58119	0.1
163.04054	0.2
165.05565	0.2
173.04546	0.1
179.03577	0.1
191.05669	1.1
228.58344	0.1
233.94254	0.1
253.24609	0.1
269.06720	16.3
270.07022	0.2
273.83444	0.1
431.12039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50397	7.3
59.01392	31.8
68.99841	11.6
71.01404	34.6
73.65973	6.7
78.11591	7.2
80.62709	8.7
81.03481	7.9
89.02471	9.8
93.03473	16.4
108.02174	11.8
109.02962	16.2
121.02975	39.1
122.03757	10.7
123.00858	17.1
125.02448	14.1
135.04506	9.3
135.36865	7.9
137.02496	17.2
138.03276	40.7
139.03972	13.8
150.03265	69.4
152.01279	9.2
153.05576	55.5
162.03358	7.8
163.00336	8.1
165.01962	17.7
165.05614	46.1
168.04236	11.2
173.04597	13.3
175.00467	13.5
176.01147	55.1
177.01932	32.7
178.02731	10.1
179.07220	8.3
181.05040	10.4
191.03580	36.2
191.05606	16.7
192.04308	64.6
193.01379	36.8
193.05017	9.4
195.06709	18.0
207.06654	92.0
208.03787	60.8
209.11903	48.6
211.13414	11.6
214.50490	8.5
223.06186	100.0
229.87967	9.9
317.19968	8.2
318.86914	8.6
640.21777	12.4
641.23438	8.8
837.30182	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.3
61.98836	100.0
68.40350	0.2
90.82117	0.2
116.97773	0.2
241.13060	0.2
277.21768	1.4
278.22055	1.7
279.22379	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.6
65.94756	1.3
78.95908	9.7
84.42179	1.3
87.50105	1.3
119.75765	1.4
148.51828	1.5
168.04295	2.1
213.93669	1.4
277.21753	100.0
285.61414	1.4
293.90179	1.5
316.31812	1.4
412.88138	1.4
434.49243	1.7
469.00586	1.5
502.29419	3.2
599.89642	1.4
762.51202	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00614	0.2
59.01396	10.1
59.65797	0.1
68.99850	0.1
69.03477	0.7
71.01391	8.3
71.01778	0.3
71.05047	0.2
72.99335	0.3
73.02949	1.5
78.79952	0.2
80.02682	1.7
81.03464	2.2
83.01392	1.6
83.05039	6.5
84.02182	1.5
85.02968	2.3
87.00877	2.2
89.02451	8.2
92.10045	0.3
93.03459	1.0
95.01389	0.3
95.05046	0.8
97.02948	1.5
99.00890	0.6
101.02449	6.3
101.03093	0.2
109.02977	0.2
109.06593	0.2
111.00877	0.2
111.04546	0.2
113.02460	3.6
119.03509	1.9
121.02974	0.9
125.02466	2.0
125.06100	0.7
125.09740	0.3
131.03516	0.2
133.05061	0.2
135.04510	0.2
135.08153	1.0
137.02449	0.2
139.04073	0.2
143.03511	0.9
147.11819	0.2
155.03419	0.2
161.04575	1.2
163.11308	6.2
165.12866	3.5
171.10300	0.3
173.04601	0.6
179.04178	0.1
179.05652	1.6
181.12373	1.1
182.00316	0.1
191.05690	0.2
191.10863	1.6
209.11871	100.0
210.12236	1.4
221.06700	0.7
227.12924	11.1
235.08238	1.7
247.13327	0.2
251.13037	0.2
253.09341	0.3
287.07727	0.3
305.08813	0.6
323.09863	0.3
379.12497	1.7
397.13586	14.4
415.14606	3.7
538.76318	0.2
589.25031	0.2
607.26416	0.6
799.38000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	32.5
69.03440	2.4
71.01382	21.4
71.43941	2.7
72.32430	2.9
73.02976	3.4
79.95792	2.5
83.05003	9.1
84.02206	3.0
85.02953	4.4
89.02453	26.0
93.03468	18.8
96.96012	27.0
97.02949	3.9
101.02451	20.3
102.95279	3.2
111.04484	2.8
113.02449	10.6
115.65793	2.8
117.44740	2.4
119.49596	2.9
121.02969	14.3
125.02467	3.7
135.04517	3.1
136.89201	3.0
137.02454	12.6
137.09901	3.8
140.87921	2.6
150.68707	2.3
165.12828	17.8
173.04561	9.3
183.13939	77.2
191.05594	3.9
209.11884	100.0
226.06482	2.9
227.12862	19.5
235.08369	3.5
238.55319	3.3
304.13953	2.7
324.95853	2.8
397.13348	3.3
453.46918	2.7
615.70703	2.8
835.24994	4.6
835.39771	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.29881	0.7
63.89909	0.7
72.35600	0.8
109.47703	0.9
131.77318	0.8
201.59827	0.9
202.61150	1.1
209.11867	1.0
229.18767	0.9
335.22720	0.9
487.34363	1.8
582.53821	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	0.3
67.16335	0.2
69.03458	0.3
71.01388	0.2
78.61356	0.2
81.03484	1.0
85.02948	0.3
89.02464	0.2
93.03461	0.4
94.14346	0.2
95.01380	0.3
100.66808	0.2
108.02185	100.0
109.02978	18.3
113.02486	0.2
121.02963	5.4
123.00868	0.2
123.04535	1.3
123.19263	0.2
133.03004	1.4
135.04520	0.5
151.04022	1.9
152.01170	61.0
153.01955	18.0
154.02246	0.3
163.03998	1.7
165.01959	0.5
185.06032	0.3
191.05591	0.2
195.02968	0.2
281.11453	0.2
415.20120	0.3
419.09915	66.3
420.10367	2.1
644.32983	0.2
760.90088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	17.6
60.78838	0.2
69.47051	0.2
71.01396	1.4
85.02960	0.2
87.00912	0.2
89.02457	0.5
101.02444	1.9
113.02485	1.0
130.20688	0.2
161.04494	0.4
185.03008	0.2
230.13747	0.2
233.22668	0.4
235.08116	0.3
253.09299	3.2
259.20789	0.5
275.20129	0.2
277.21759	100.0
278.22076	1.4
513.31000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	41.0
59.29147	1.9
61.98836	2.5
69.03479	2.5
71.01387	29.0
73.02965	2.9
75.00880	2.4
81.03469	5.2
83.01402	4.6
83.05025	12.2
85.02965	13.7
87.00920	2.5
88.07471	2.7
89.02444	22.2
92.10069	4.8
93.03480	10.2
97.02961	14.4
99.00871	9.3
101.02455	12.0
109.02978	3.1
109.06602	37.5
110.03732	2.4
111.04540	3.0
113.02466	9.7
119.03509	3.8
121.02930	11.7
124.87997	2.5
125.09687	2.5
126.90426	9.1
134.89487	5.8
135.01781	2.7
135.04538	2.9
137.02420	3.9
144.77838	2.2
150.07008	3.2
161.04578	2.9
161.09717	3.5
163.11334	24.3
165.12840	3.1
171.10194	3.0
173.04565	5.5
177.01889	5.5
179.05605	3.9
181.12375	5.8
191.05615	9.0
207.10301	100.0
209.11870	97.6
217.12378	2.7
225.11354	61.2
227.12941	12.2
345.61469	2.4
397.13431	22.6
399.21924	3.2
415.14590	11.9
417.22769	4.3
480.88971	2.7
623.25690	9.5
674.51837	3.0
797.36224	11.9
815.37238	17.1
833.37903	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	833.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01125	0.1
59.01389	0.7
71.01401	0.7
72.99317	0.1
73.02956	0.1
74.28380	0.1
77.03968	0.1
85.02962	0.5
87.00894	0.4
89.02464	0.1
93.03440	0.4
99.00870	0.1
101.02457	0.2
107.05049	0.1
107.67033	0.1
108.02200	0.5
109.02973	0.5
110.65083	0.1
113.02444	0.1
115.00423	0.4
116.17487	0.1
119.05032	0.4
120.15710	0.1
121.02961	100.0
122.03279	0.6
123.04504	0.1
129.97890	0.1
131.04985	0.1
133.06619	0.1
133.54561	0.1
135.04544	0.7
137.02496	0.1
145.02971	0.5
147.04518	0.1
149.02452	0.1
151.03970	0.1
152.01208	0.7
153.01941	0.3
159.04497	0.1
163.03996	0.4
173.04594	0.1
175.02524	0.8
182.84297	0.1
191.05597	0.3
205.05132	0.3
231.06694	0.1
235.86763	0.1
249.07523	0.1
269.06705	0.1
285.03967	0.1
417.11987	18.0
418.12161	0.3
449.14679	0.1
534.18835	0.1
537.53796	0.1
654.55975	0.1
676.53583	0.1
833.38507	0.3
865.35974	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	833.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.2
71.01389	10.2
73.02939	4.4
83.01371	0.8
84.28127	0.5
85.02961	4.4
85.26954	0.5
87.00903	2.4
89.02444	6.9
93.03467	0.8
93.44851	0.5
94.44228	0.5
95.01402	0.6
95.36288	0.5
97.02972	0.6
100.71324	0.5
101.02436	9.5
113.02436	4.3
115.04028	0.8
119.03495	1.1
121.02959	100.0
127.01389	0.6
131.03528	0.8
134.03822	0.5
135.03029	1.5
135.04532	51.1
137.02463	0.9
138.38521	0.5
149.02464	37.1
152.01169	9.7
161.02458	3.7
161.04495	1.3
161.54805	0.6
163.04028	12.6
163.06155	3.1
164.04813	36.2
165.01936	1.1
167.03539	0.7
169.05081	4.0
173.71861	0.6
179.05696	1.1
179.07166	13.2
181.07188	16.3
191.05594	1.3
193.01445	18.6
193.05099	1.1
208.03815	51.8
221.68793	0.6
223.06154	82.8
223.31459	0.5
224.06503	1.0
246.31581	0.5
249.92142	0.6
325.11447	13.7
379.82291	0.6
385.11496	19.3
447.15167	57.5
448.15463	1.0
550.72058	0.6
628.53577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	0.3
59.01387	11.9
63.98153	0.2
69.03463	0.4
71.01382	11.7
72.99306	0.5
73.02946	3.1
75.00893	0.9
81.03445	0.3
83.01409	0.9
85.02959	2.3
87.00892	0.9
89.02444	12.5
93.03445	2.5
95.01372	0.3
97.02952	1.2
99.00890	1.1
101.02439	6.5
113.02450	2.8
115.04027	0.3
119.03501	1.0
119.05025	0.8
120.28486	0.2
121.02959	100.0
122.03288	0.9
125.02454	2.1
131.03497	2.0
133.05113	0.4
135.03078	1.8
135.04533	27.8
137.02452	1.4
143.03487	0.8
147.04510	0.3
149.04561	4.7
151.06129	11.8
161.04567	1.6
163.04030	4.2
173.04564	5.3
175.06172	0.3
191.05646	2.4
193.05072	0.3
223.06161	1.1
233.06770	0.4
237.09233	0.3
265.08899	0.3
275.07843	0.3
283.08380	0.5
293.08868	2.8
295.10559	4.9
311.09830	0.3
327.08817	1.7
415.12479	0.9
417.14114	23.0
418.14502	0.3
445.12387	0.5
468.97607	0.2
762.49225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84871	3.2
78.95911	71.3
86.41344	3.7
96.96986	18.7
110.66624	3.5
152.99599	20.5
173.28488	4.0
223.00140	7.3
241.01241	38.0
248.59395	4.3
255.23306	100.0
263.39984	3.8
272.79022	4.0
277.21725	48.5
513.53357	3.8
831.50549	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.5
68.18697	4.0
71.01385	3.7
75.15797	3.7
85.94553	3.6
91.01893	5.2
105.50189	3.7
121.02984	18.6
135.00948	6.7
167.03525	22.3
173.04491	5.2
191.05582	5.0
209.11812	8.5
240.86659	4.6
268.15356	3.7
434.10129	100.0
739.38959	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	831.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.9
71.01384	4.3
72.99311	3.2
73.02961	0.3
75.00873	34.6
76.65178	0.2
85.02937	1.3
87.00881	0.8
89.02445	7.3
93.03472	1.4
96.96011	0.8
101.02470	0.4
115.00376	1.0
117.01960	2.8
118.92376	0.2
119.05025	12.8
121.02950	14.5
124.04226	0.2
127.04136	0.2
131.03491	0.2
132.05804	0.3
133.44479	0.2
135.03004	100.0
136.03339	0.3
137.02487	0.3
143.05013	0.2
145.06589	0.3
146.80322	0.2
155.23853	0.2
163.04012	10.0
171.75308	0.2
179.05673	0.3
187.07561	0.2
191.05634	19.1
192.05986	0.2
211.07607	0.7
237.04111	1.4
237.09264	0.8
239.10919	0.3
248.18117	0.2
283.09793	2.5
293.08826	0.4
327.08749	5.4
337.09360	3.1
361.90384	0.2
369.70926	0.2
388.35712	0.2
400.65991	0.2
440.67139	0.2
445.11542	2.4
624.17218	0.2
658.01801	0.2
857.28101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.2
60.99311	20.0
67.65071	0.6
71.01396	1.0
88.98804	100.0
117.03480	1.8
117.75439	0.8
121.02944	1.4
123.70334	0.7
126.90503	0.9
141.96921	0.7
145.02945	6.6
148.16196	0.7
181.57561	0.7
239.81943	0.7
331.43405	0.8
363.73981	0.7
419.21976	0.9
461.20724	0.9
559.88782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87918	0.1
59.01389	1.4
61.58342	0.1
71.01381	0.5
72.20471	0.1
72.99320	0.2
77.03962	0.1
85.02969	0.4
92.10088	0.2
92.48534	0.1
93.03480	0.1
95.39655	0.1
99.30917	0.1
101.02427	0.2
107.05050	0.1
121.02962	100.0
122.03288	0.9
133.06592	0.1
134.54149	0.1
135.04536	0.7
141.49178	0.1
143.05070	0.1
147.04564	0.2
148.05327	38.6
149.02393	0.1
149.05661	0.4
163.07672	23.3
164.07967	0.3
205.05109	0.4
358.51645	0.1
367.14371	0.2
367.20041	0.1
417.12012	14.5
418.12610	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.7
60.99308	0.7
65.75384	0.2
67.01916	4.2
69.03461	0.5
71.01397	4.1
73.03005	0.3
73.74485	0.3
76.76083	0.3
81.03476	0.5
83.05049	0.4
85.02969	6.6
87.00890	6.3
89.02454	1.8
93.03465	27.3
99.00916	0.5
99.04529	0.6
101.02460	1.6
109.02955	1.6
111.04533	4.8
111.96141	0.4
113.02470	0.6
115.02910	0.3
117.03457	3.2
119.05032	17.0
121.02942	2.1
125.19746	0.3
127.04029	1.8
129.01944	0.7
133.02940	1.5
133.06618	0.4
134.74193	0.3
135.04561	1.6
137.02493	0.6
145.02971	22.0
146.18417	0.3
155.03537	1.4
161.02486	0.6
161.06120	1.5
163.04022	15.9
171.03061	0.4
173.04567	23.0
177.05644	0.7
179.03462	0.5
181.07222	1.3
191.05643	100.0
192.05969	0.6
197.04565	0.6
205.05106	1.4
211.07603	0.5
265.07141	0.8
337.09372	26.4
353.08945	0.6
408.14615	0.3
489.16238	22.4
521.85699	0.3
613.11255	0.3
738.88135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53121	0.2
59.01388	3.5
61.02650	0.2
61.39814	0.2
68.30846	0.2
71.01384	17.3
73.02953	1.0
75.00858	0.4
83.01395	0.8
85.02966	0.4
87.00877	1.3
89.02431	0.9
93.03447	0.4
96.96033	0.2
101.02428	1.0
108.90989	0.2
113.02499	1.5
115.00378	8.7
117.03458	0.3
117.86119	0.2
119.05075	0.2
121.02959	100.0
122.03269	0.9
125.02442	0.2
129.01974	0.2
132.02159	0.3
133.02965	15.5
135.03033	1.5
135.04547	2.0
156.60258	0.2
161.02458	53.3
163.04085	0.4
175.03952	0.2
179.03525	0.8
191.05684	2.0
222.19255	0.2
237.04079	11.5
238.85860	0.2
271.19879	0.2
323.07535	0.3
325.12845	0.3
341.11005	0.5
358.63062	0.2
510.37921	0.3
587.16290	15.8
754.02661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38967	70.3
60.25444	84.0
61.47783	67.4
70.16150	76.3
77.55175	75.3
102.99300	77.4
152.35114	82.4
180.65846	92.5
197.50320	99.7
240.74158	82.2
711.13483	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	827.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98440	1.8
59.01397	9.3
60.14781	1.5
61.98838	2.7
67.86324	1.7
81.22926	1.9
83.01412	3.4
91.90707	1.9
93.03463	7.5
93.08977	1.9
96.60143	1.8
101.99123	1.8
103.24614	1.9
109.02952	2.6
119.04977	1.9
121.02953	97.3
128.33521	1.9
133.02966	7.4
133.12672	2.0
135.04520	36.3
137.02478	3.8
161.02429	23.5
179.03517	31.1
201.11259	2.4
235.72641	2.1
241.05106	4.0
277.07233	23.0
285.08887	1.8
317.06802	2.3
399.11093	11.1
439.10501	32.6
445.11594	3.1
447.38593	2.2
541.93866	2.8
605.40723	100.0
705.18298	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	823.389
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98850	12.5
66.36716	9.5
92.10709	10.9
108.02270	11.4
129.29591	11.1
129.38051	11.4
133.76828	10.8
171.10298	14.4
196.98003	12.1
199.09668	11.9
207.10184	14.4
209.11893	100.0
243.68217	13.6
368.38431	10.9
372.51886	14.0
450.76959	13.9
458.11447	12.5
510.06866	14.4
629.77844	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	821.595
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98848	0.8
66.45729	0.1
71.01344	0.1
74.21931	0.1
95.21289	0.1
111.57784	0.1
131.61942	0.1
188.28029	0.1
377.28589	0.7
393.31784	0.7
407.29449	0.3
423.32843	0.8
465.73428	0.2
469.33319	100.0
470.33685	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	823.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01682	4.4
67.30101	3.4
71.01413	5.8
92.93923	3.7
99.92589	55.8
115.92094	63.2
116.92865	100.0
147.48590	3.9
196.46008	4.6
217.45320	4.6
277.21857	16.1
281.24789	9.1
318.00357	5.3
438.80890	4.5
787.34167	8.6
823.35547	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	823.361
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68135	2.4
61.98850	2.8
78.95905	15.1
99.92573	52.9
100.93359	6.6
115.92081	67.0
116.92866	100.0
119.64922	3.4
126.94916	3.4
132.11674	2.8
152.99684	4.8
179.89195	5.0
209.11807	7.2
277.21823	7.0
303.32513	2.8
309.64413	3.3
439.01904	3.7
462.40836	3.1
497.11163	5.6
559.08704	3.2
752.61102	3.5
787.33789	17.8
823.35095	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
63.20239	0.4
71.01383	0.9
78.38715	0.4
79.00594	0.4
168.70580	0.4
172.25169	0.4
277.21628	0.6
278.22021	0.6
344.77292	0.5
678.28021	0.6
727.27759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.6
69.71943	0.3
69.73534	0.3
70.28589	0.4
80.91690	2.8
91.21015	0.4
116.92853	1.6
117.03470	35.0
117.92890	0.5
121.02970	0.4
145.02969	100.0
191.05463	0.5
292.56839	0.4
559.28705	0.4
739.20648	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	821.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	24.5
61.98838	100.0
77.91250	14.9
81.91035	15.7
101.77869	17.0
183.39015	21.0
211.10512	19.6
241.31161	17.9
708.63611	20.3
806.43121	22.9
821.38660	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	821.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	12.3
61.98837	100.0
83.05062	6.5
91.20515	6.1
143.99146	8.1
152.99756	8.0
158.91725	7.4
190.82384	5.9
278.98199	7.3
317.14151	6.9
438.24118	6.6
712.55182	7.2
821.41357	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	819.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86812	3.1
59.01378	41.7
60.75948	3.6
62.02392	3.5
66.72901	3.6
70.84393	3.2
83.78819	3.5
85.38079	3.7
92.10069	8.8
99.11359	3.9
126.87720	4.2
132.20926	4.0
158.00760	3.6
158.23781	4.1
168.78854	4.2
253.09247	7.5
263.20200	100.0
277.21741	83.5
294.34592	4.2
407.74957	4.7
450.49167	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	819.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55860	59.1
62.78431	53.5
64.35144	60.1
76.58074	56.8
87.91206	54.5
95.42018	58.0
103.96450	58.3
155.59999	69.3
179.84322	69.0
212.04721	57.5
223.19971	69.8
223.64557	67.1
396.47235	67.1
411.19934	63.6
421.09357	71.9
719.39709	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	819.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.8
71.01385	4.1
72.99297	0.2
73.02946	0.3
75.86699	0.2
81.03043	0.2
81.03474	0.8
83.01376	0.2
85.02943	0.4
89.02457	1.1
93.03464	0.4
101.02456	1.1
104.35138	0.2
107.05062	0.2
108.02186	100.0
109.02975	17.1
113.02444	0.4
121.02962	49.3
123.04531	1.4
125.02368	0.3
133.02968	0.9
134.03754	0.4
135.04538	41.7
136.04854	0.3
147.04527	0.2
151.04042	2.1
152.01176	57.7
153.01964	15.8
163.04027	5.7
165.01932	0.7
185.06029	0.3
191.05643	0.2
217.05046	0.2
223.06157	0.8
275.38910	0.2
399.13028	41.0
400.13260	0.8
419.09909	55.1
420.10159	1.5
808.34485	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	6.4
58.85563	5.5
59.01390	100.0
61.98845	8.6
71.01384	54.0
73.02959	9.7
75.00872	15.2
76.28209	6.4
83.01440	7.2
85.02978	25.5
87.00877	11.7
89.02469	39.1
93.03471	26.1
96.96021	9.2
97.03066	5.9
101.02464	39.5
101.08251	6.5
108.02152	8.5
113.02454	12.7
116.92901	12.7
119.03496	7.4
121.02952	56.4
131.69914	7.2
134.06134	82.1
137.02484	23.8
145.03032	8.7
149.02417	6.1
152.07182	12.2
155.10756	6.6
173.04567	10.6
173.98257	6.5
179.03493	8.3
191.05676	30.3
198.93834	6.9
213.10342	10.9
267.85410	7.0
285.04068	75.5
285.12418	9.0
370.15729	12.8
371.24994	6.8
382.11710	10.1
383.12939	7.9
398.15155	74.5
401.39755	7.3
410.15219	34.8
410.39297	6.9
452.41537	8.3
533.76367	7.9
545.21729	9.7
589.20068	7.5
725.28424	56.1
757.30322	11.3
769.27631	76.0
787.28357	80.9
801.30176	37.0
819.41541	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	818.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
61.98837	100.0
71.01412	0.2
83.05024	0.3
86.00134	0.2
112.01923	0.3
120.76037	0.2
163.11343	0.2
197.11766	0.5
209.11874	2.7
210.12115	1.2
227.73389	0.2
302.54309	0.3
566.08563	0.3
615.77881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
62.70131	0.4
63.90564	0.5
72.57555	0.4
78.95918	0.4
83.05081	0.4
87.87997	0.4
92.10141	2.1
122.11727	0.4
201.25655	0.4
209.11836	2.6
210.12189	2.0
211.12418	0.6
277.21744	1.9
278.22070	2.5
279.22360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	11.0
59.03428	0.1
61.98842	19.5
65.84557	0.1
71.01392	0.3
80.58440	0.1
89.02435	0.2
92.10169	0.4
94.90651	0.1
101.02488	0.2
105.03483	0.6
113.02457	0.2
115.01884	0.2
117.03471	0.9
121.03016	0.1
123.04536	0.6
132.02162	3.0
133.02965	42.2
134.03333	0.2
135.04539	0.6
145.54979	0.1
160.01669	0.2
161.02461	100.0
162.02840	0.7
163.70558	0.1
165.76520	0.1
173.04520	0.2
179.03499	0.2
179.25403	0.1
191.05644	0.2
365.10840	0.1
404.53067	0.1
407.12204	0.3
509.15405	0.5
551.16278	0.2
695.18781	0.6
713.19965	0.3
755.20587	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	817.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	7.5
61.98840	2.4
68.25077	1.2
71.01381	86.4
73.02960	1.3
76.43607	0.9
78.95903	2.0
89.02448	2.6
91.18359	1.0
92.10782	3.1
92.65669	1.0
97.15299	1.0
101.02441	2.4
109.06612	4.3
113.02404	1.1
116.92878	1.0
125.09753	1.1
127.11292	2.1
130.53677	1.0
137.09822	1.3
163.11293	1.6
171.10278	85.5
183.47983	1.3
199.09760	8.6
201.11362	6.9
207.10258	12.2
225.11421	5.3
227.16182	1.1
235.08142	2.1
253.09300	7.2
277.21750	100.0
278.22018	1.5
354.83710	1.1
407.49268	1.2
664.79504	1.5
721.42444	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	817.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98760	1.7
58.44675	1.6
59.01389	2.8
61.98833	3.6
65.52592	1.7
67.13841	1.7
67.47795	1.6
71.01385	75.5
72.33495	1.7
75.00887	4.0
89.02463	2.9
91.60390	1.6
97.02965	2.2
101.02461	4.1
109.06580	2.2
113.02493	1.8
125.09731	2.8
129.66014	1.9
145.02975	1.9
151.09912	1.8
171.10281	100.0
198.56093	1.8
199.09819	7.9
201.11372	2.6
207.10312	16.4
225.11382	9.1
253.09227	7.2
277.21765	68.4
351.21341	1.9
363.25385	2.1
506.57468	2.1
608.57080	1.8
613.67145	1.9
721.42426	3.8
722.41309	2.1
735.78638	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	817.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25697	1.0
59.01389	100.0
61.98835	15.2
71.01402	2.4
74.37133	1.1
75.70412	1.3
87.00932	1.2
89.02452	1.3
92.10867	2.0
96.23771	1.0
101.02411	1.3
107.90031	1.0
113.02518	1.1
125.02417	1.2
141.01723	41.1
142.12955	1.2
197.11871	7.6
209.11856	1.6
235.46562	1.3
277.21698	7.4
309.21002	1.1
320.90677	1.0
359.22092	5.4
397.13623	9.9
415.14603	1.4
419.11526	2.2
437.12799	1.8
487.34610	1.7
543.36658	1.1
697.33630	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	817.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52736	3.8
61.98840	51.4
71.01426	7.0
118.32024	4.2
119.36157	4.8
137.02556	5.6
192.11572	4.4
211.50633	4.8
218.55211	5.4
323.87222	5.1
373.60803	4.6
465.75375	5.6
817.45374	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	817.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98838	51.9
71.01400	5.7
74.99377	1.7
78.17885	0.6
78.60983	0.6
89.02451	1.8
96.99303	9.4
97.02949	1.0
101.00971	1.7
101.02511	0.9
102.98882	1.5
113.00942	1.7
130.98424	0.8
141.00594	1.5
141.01720	36.4
142.14885	0.7
143.99153	1.2
166.52710	1.0
197.11867	0.8
201.02643	1.0
201.11258	0.9
205.45088	0.8
240.67709	0.7
257.05511	1.0
275.06219	1.3
277.21768	9.3
345.06940	1.1
359.22110	3.6
387.66946	0.9
397.13525	8.7
415.14490	1.3
419.11478	3.7
437.12387	5.9
697.33234	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	817.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
59.01386	12.5
67.38799	0.3
69.03461	3.8
71.01006	0.4
71.01386	10.0
71.01777	0.4
72.97854	0.2
72.99321	0.3
73.02971	2.0
73.78387	0.3
83.01404	0.3
85.02951	2.6
89.02443	8.4
92.66123	0.2
93.03464	0.4
98.89491	0.3
99.00894	1.9
101.02451	4.3
103.04035	0.3
113.02443	2.2
119.03474	1.0
121.02958	100.0
122.03270	0.4
123.28482	0.3
125.02464	0.4
129.18030	0.3
131.03513	1.5
135.04533	72.0
147.04555	0.6
149.04593	2.3
163.04005	6.6
189.05698	0.3
191.05605	2.5
201.88934	0.3
204.74364	0.3
223.06181	1.3
279.10898	0.6
283.08325	0.4
283.99179	0.3
338.40298	0.3
401.14554	4.2
415.12433	47.9
416.12921	0.6
442.40109	0.4
467.37039	0.3
489.38016	0.4
716.52203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05336	0.5
59.01385	0.6
61.17589	0.5
61.98836	100.0
62.85992	0.5
79.35822	0.5
91.44613	0.6
141.36270	0.5
207.10159	0.6
220.26427	0.6
225.11314	1.1
226.11578	0.6
274.73984	0.7
277.21695	1.0
278.22116	1.3
279.23071	0.8
286.77097	0.6
463.21426	0.7
644.81036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.9
63.02420	0.1
65.00341	0.2
72.26669	0.2
73.02943	4.6
75.00855	0.2
83.01386	1.5
85.02957	0.6
86.28178	0.2
89.02447	0.7
93.03448	0.7
95.01416	0.2
101.02431	3.8
107.01419	1.1
108.02066	0.1
109.02908	0.2
113.02457	1.3
119.03508	0.4
121.02930	0.2
125.02455	0.7
131.03516	0.2
132.02208	0.2
135.00961	0.3
137.02451	0.2
149.02467	0.2
149.04564	0.3
151.00380	2.7
152.01190	0.2
153.01936	0.3
159.04486	0.2
161.04562	0.9
163.00394	1.0
164.01180	0.2
169.01433	0.3
169.06577	0.2
171.04539	0.4
174.03247	0.8
175.03960	0.3
178.99904	1.0
183.04518	0.7
185.06128	0.9
187.03992	0.9
191.05656	0.8
193.01387	0.2
197.06163	0.2
199.04100	0.2
203.03651	0.2
211.03987	1.5
212.04945	0.2
213.05540	0.6
214.02664	0.2
221.06653	0.2
227.03526	70.2
228.03935	1.2
229.05096	3.1
239.03503	0.8
241.05038	0.3
255.03014	91.0
256.03738	7.2
257.04657	1.3
269.04733	0.2
284.03293	86.5
285.04068	26.3
285.07361	0.3
286.04358	0.3
327.05197	1.6
447.09399	100.0
448.09851	1.7
585.27240	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.4
61.98837	100.0
62.08272	0.4
97.37241	0.4
146.83531	0.3
209.11850	1.5
318.98538	0.4
321.75446	0.4
347.40369	0.4
373.29489	0.5
703.67816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.44
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06607	0.6
61.98836	100.0
64.76808	0.6
92.10088	1.2
116.12484	0.7
234.72165	0.7
277.21802	1.4
278.22113	1.6
438.85657	0.8
452.42722	0.7
460.19666	0.9
470.03799	0.7
796.66046	0.7
846.21930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.7
68.68836	0.2
71.00188	0.2
71.01389	2.8
73.02963	0.2
76.42263	0.2
78.95943	0.3
79.09870	0.2
80.02693	1.3
81.03461	0.6
83.01393	0.3
83.05037	4.7
83.05494	0.4
83.37389	0.2
84.02195	0.5
85.02936	0.4
86.07202	0.2
87.00886	0.6
89.02453	2.4
92.10912	0.3
95.05038	0.5
95.05654	0.2
101.02447	3.0
109.06633	0.3
113.02464	2.3
116.01441	0.2
119.03521	0.4
120.79906	0.2
125.06108	0.4
127.07647	0.3
135.08195	0.3
150.15250	0.2
151.18462	0.2
161.04591	1.2
163.11288	4.0
165.12871	2.7
167.67542	0.3
181.12418	0.4
191.10780	0.9
209.11876	100.0
210.12140	0.4
227.12936	9.1
233.98547	0.3
235.08179	2.2
246.85606	0.3
253.06789	0.3
253.09291	5.9
277.21771	83.6
278.22116	1.1
437.21875	0.2
445.21030	2.4
513.30762	1.2
549.75214	0.3
554.48779	0.2
753.45581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.1
58.85605	0.2
59.01392	2.8
60.05688	0.2
60.99323	1.5
65.94140	0.2
67.01904	4.5
67.56002	0.2
69.03474	1.4
71.01385	2.0
72.99332	0.2
73.02982	0.5
76.58108	0.2
81.03479	1.0
81.43245	0.2
83.05060	0.9
84.41153	0.2
85.02968	5.6
87.00890	7.6
87.14803	0.2
92.10124	0.9
93.03469	30.8
99.00928	0.5
99.04525	0.5
101.02477	0.4
105.74008	0.2
108.02202	1.4
109.02970	1.2
109.61360	0.2
111.04530	5.1
113.02465	0.5
117.03480	1.3
121.02956	1.2
121.06546	0.3
127.04037	1.9
127.89594	0.3
129.01955	1.0
130.82303	0.3
134.03751	12.3
135.04591	0.3
137.02469	0.6
146.03592	0.2
149.06088	1.0
152.01164	0.4
153.01939	0.4
155.03532	1.3
156.32338	0.3
160.01620	1.0
163.04010	0.4
165.05595	1.6
165.70370	0.3
173.04567	13.6
174.24088	0.3
175.04034	0.6
178.02785	0.5
179.07137	1.1
191.05641	100.0
192.05923	0.5
193.05090	6.9
211.06189	0.2
295.08258	0.3
367.10391	32.7
368.10797	0.6
413.10913	1.0
742.90497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33274	1.3
59.01395	10.5
70.36743	1.2
71.01387	8.3
71.58830	1.2
85.02970	14.8
87.00916	3.0
89.02476	6.1
89.20594	1.5
93.03481	13.5
96.70739	1.6
96.96032	2.8
101.02435	1.8
109.02978	3.5
113.02495	3.1
116.18024	1.9
117.03504	1.9
119.05045	3.2
121.02971	27.0
131.05026	15.0
135.03033	2.2
135.04543	3.4
137.02448	1.6
145.02948	12.0
148.01660	2.9
149.02481	1.7
149.06093	10.2
163.04051	6.1
173.04492	2.0
175.03996	2.1
179.03545	1.8
179.79170	1.7
191.05632	56.3
193.04994	1.6
211.03963	2.7
213.05629	2.2
222.03235	1.8
223.04095	25.8
223.06160	3.0
235.04004	5.8
238.02719	2.2
239.03545	21.3
240.04141	2.5
241.05037	2.5
251.03360	2.2
252.04311	2.3
255.10213	1.7
266.02267	10.8
267.03027	43.6
279.03079	12.6
280.04022	2.9
285.03934	1.8
295.02481	9.8
315.06616	2.2
317.08478	1.9
331.06448	2.9
341.04965	2.2
343.06308	6.1
359.05527	14.1
371.05600	9.5
387.05106	9.4
388.05847	6.4
416.05463	100.0
417.06180	38.3
429.13931	6.4
434.06308	1.9
460.04697	3.1
506.59784	1.7
579.11536	77.2
597.12134	3.7
623.10468	8.9
815.16864	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	815.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	3.2
61.98833	2.4
67.68754	0.3
71.01390	2.3
73.02956	3.2
76.57707	0.3
85.02975	0.4
87.00871	2.8
88.73457	0.3
88.98832	0.3
89.02480	0.4
92.21470	0.3
93.03488	0.6
99.00878	1.4
99.92587	11.3
114.93437	0.4
115.00371	3.9
116.92865	100.0
117.01962	2.8
117.03477	0.7
117.92912	0.5
119.05034	0.7
121.02968	1.7
122.06086	0.4
123.04527	0.4
125.37561	0.4
145.02979	2.9
147.33943	0.3
152.07166	0.5
163.04010	0.5
172.00740	0.3
173.04509	0.5
175.02480	4.4
187.91306	0.3
191.05583	0.5
192.61293	0.3
238.47266	0.3
573.32068	0.3
747.77948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.9
59.48241	0.1
62.62525	0.1
65.14644	0.1
69.84921	0.1
71.01381	0.3
71.23766	0.1
73.02943	2.5
75.00869	0.3
86.48242	0.1
87.00888	0.2
96.95978	0.2
99.00880	1.4
99.92588	11.0
101.02442	0.1
111.00895	0.1
114.93422	0.7
115.00381	0.2
116.92867	100.0
117.01942	3.7
117.03468	0.7
117.92871	0.6
119.05067	0.1
121.02925	1.0
137.02463	0.1
145.02983	2.4
150.06876	0.2
173.04526	0.2
175.02414	0.3
177.04068	0.2
200.49509	0.1
471.53842	0.1
815.35620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40592	1.0
61.87698	1.1
61.98837	100.0
78.15511	1.0
92.10832	1.2
155.95607	1.4
160.36371	1.1
307.41193	1.2
344.40903	1.2
407.53998	1.2
805.27338	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	814.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
65.34389	0.6
66.40893	0.6
67.78762	0.7
75.57779	0.6
92.01637	0.7
93.71375	0.6
116.92907	0.9
249.44751	0.7
270.27362	0.8
740.47565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96500	0.5
59.01384	21.7
60.52829	0.4
71.01399	3.2
71.05025	0.7
73.02969	0.7
78.95903	1.0
85.02977	0.8
88.98820	0.6
89.02454	2.9
92.16228	0.5
97.02934	2.1
97.06616	0.6
99.00887	5.0
101.02440	1.2
113.02467	0.6
125.09731	6.6
126.14125	0.6
135.08302	0.6
136.05220	0.6
142.02699	0.8
161.04607	1.1
163.11288	3.6
181.12344	8.2
200.35518	0.6
207.10295	26.5
225.11353	46.0
235.08200	1.0
243.12511	3.8
253.09448	3.8
255.23184	0.6
257.13953	4.5
277.21756	100.0
443.19415	3.8
461.14951	0.6
461.20483	5.1
513.30402	1.8
721.41797	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	813.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20807	1.1
59.01395	3.2
61.94828	1.1
61.98842	1.3
69.03469	1.7
76.78436	1.2
80.43270	1.1
85.02960	1.9
92.10044	3.8
96.04922	1.2
97.02946	37.3
111.08194	1.8
119.08708	2.3
125.09747	1.6
137.09674	10.9
171.10309	26.3
185.11954	1.7
211.13426	1.9
239.12930	3.1
291.19687	14.5
295.28867	1.4
309.20779	100.0
312.60025	1.3
503.33875	21.0
504.34320	1.6
555.77985	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.6
57.08543	0.5
59.01388	30.9
60.99324	1.2
64.24388	0.5
64.32249	0.5
69.25706	0.6
71.01385	3.5
80.68078	0.6
85.02965	0.7
87.00913	0.8
88.98798	7.6
89.02478	2.9
90.58764	0.6
91.53115	0.6
97.02948	6.0
97.06614	1.1
99.00878	8.9
101.02442	2.6
104.73944	0.6
104.85744	0.6
110.03750	1.5
113.02470	1.3
116.92830	0.8
125.09717	12.0
135.08138	0.9
142.02715	1.4
163.11295	8.6
181.12364	20.8
197.11852	0.8
199.13354	1.4
207.10291	58.4
225.11360	100.0
231.84500	0.7
243.12332	9.1
253.09335	3.1
257.13962	9.2
277.21759	83.7
278.22125	1.0
309.79605	0.7
385.02112	0.7
443.19293	3.0
461.20386	31.0
542.93567	0.7
721.41809	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	813.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
74.77160	0.5
78.95905	1.1
92.10786	1.2
101.65431	0.5
107.31757	0.5
120.37076	0.5
126.51946	0.5
209.11891	1.1
219.45406	0.5
255.23146	0.6
277.21686	0.6
375.62778	0.6
769.85925	0.7
795.39990	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
74.77160	0.5
78.95905	1.1
92.10786	1.2
101.65431	0.5
107.31757	0.5
120.37076	0.5
126.51946	0.5
209.11891	1.1
219.45406	0.5
255.23146	0.6
277.21686	0.6
375.62778	0.6
769.85925	0.7
795.39990	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12057	0.6
59.01389	6.5
61.36535	0.6
61.84018	0.6
62.50325	0.8
70.25777	0.7
71.01397	2.6
72.97692	0.6
73.02952	0.9
80.02684	1.1
81.03445	1.2
83.01348	1.0
83.05019	5.2
84.02152	0.9
89.02452	1.4
95.05030	0.9
97.02952	0.8
97.06561	0.9
101.02424	1.2
109.06592	1.7
113.02430	0.9
117.40652	0.6
125.09721	1.3
135.08141	0.8
137.09692	1.3
161.04597	0.8
163.11317	8.3
165.12904	1.7
181.12407	1.6
185.11830	1.0
191.14392	1.3
194.45203	0.7
197.11839	1.7
200.58536	0.8
207.10307	7.0
209.11862	100.0
211.13503	0.8
225.11316	3.9
227.12929	9.7
235.08247	1.7
244.59515	0.8
245.19127	5.0
253.09372	6.7
271.17300	0.7
289.18112	16.2
307.19244	14.2
309.20645	3.2
735.40503	1.0
753.40155	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.6
57.68060	0.3
59.01389	7.2
59.01657	0.4
59.50680	0.3
60.99319	1.2
61.07223	0.2
67.01905	6.1
69.03477	1.8
71.01386	3.1
73.02962	0.6
75.00890	0.6
81.03477	1.4
83.05043	1.1
85.02958	6.9
85.94421	0.3
87.00882	7.1
89.02448	0.5
89.03976	0.3
92.65369	0.3
93.03459	35.8
96.96010	0.4
99.00884	0.5
101.02451	0.4
101.56380	0.3
102.99276	0.3
108.02199	0.5
109.02970	1.6
111.04527	6.5
113.02462	0.6
113.99628	0.3
114.39201	0.3
115.03993	0.3
117.01962	0.4
117.03472	1.3
119.05010	2.7
121.02939	4.2
127.04029	1.5
129.01936	0.6
131.44957	0.3
134.02710	0.6
134.03738	15.2
135.02995	1.4
135.04576	1.1
137.02449	2.4
145.02972	1.1
146.03722	0.5
149.06100	1.2
152.01120	0.6
155.03517	1.2
160.01662	0.5
161.04552	0.3
163.04056	3.0
171.03159	0.3
173.04558	26.0
174.01729	0.4
175.04037	1.3
177.04031	1.8
178.02731	0.3
179.07175	0.5
191.05638	100.0
192.05933	0.5
193.05078	9.1
197.90355	0.3
211.47141	0.3
217.64969	0.3
221.23676	0.3
263.05609	0.4
281.06671	0.3
323.07867	0.5
327.08759	0.4
367.10400	35.7
441.10583	3.4
456.64441	0.3
459.03278	0.3
460.31528	0.3
716.23608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.5
61.98848	2.6
71.01403	1.6
72.97266	1.4
79.89709	1.3
79.90186	1.3
88.98820	6.7
92.10063	3.3
93.03448	2.0
116.92889	1.6
121.02960	100.0
135.04575	2.3
158.14891	1.5
166.19302	1.6
191.05742	2.0
192.65327	1.8
209.11891	3.3
231.72224	1.5
301.04852	2.1
423.08594	19.2
511.16730	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	811.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	8.2
58.00602	2.8
59.01386	100.0
71.01383	56.6
72.05360	0.4
72.99310	4.5
73.02950	2.1
73.35125	0.5
82.98096	0.5
83.01392	2.1
85.02953	12.4
87.00880	1.9
89.02443	66.3
95.01376	4.4
99.00877	0.5
101.02441	25.4
105.63564	0.5
113.02450	23.1
119.03508	27.8
123.08192	0.8
125.06031	0.8
131.03508	2.6
143.03500	4.4
149.04514	2.1
161.04565	8.3
167.10838	4.1
167.55185	0.5
179.05630	22.2
191.05574	0.7
307.50870	0.6
363.16827	0.6
405.21362	34.7
448.53769	0.6
449.20129	2.7
623.82965	0.6
781.69171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
68.19431	69.0
115.73364	74.1
143.03972	68.1
156.81677	76.4
222.45332	74.7
287.52139	89.4
305.95813	76.6
395.31836	75.0
427.89255	79.0
663.48560	100.0
694.76575	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.6318
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03799	0.2
64.31660	0.2
69.03442	0.2
78.95909	0.5
84.67081	0.3
86.38830	0.3
94.48324	0.2
111.60708	0.3
114.93390	0.4
116.92802	0.3
161.85898	0.3
202.44284	0.3
259.04669	0.4
288.65176	0.3
407.32990	0.5
455.35425	100.0
456.35928	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	809.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	25.1
59.20268	1.1
61.68238	0.9
61.98834	1.4
63.89208	0.9
69.62274	0.9
71.01392	1.6
74.55698	0.9
78.94221	1.2
78.96410	0.9
83.18835	1.1
93.43275	1.3
98.05568	1.0
102.98197	1.0
108.61417	1.1
116.92892	2.1
121.02946	6.2
130.77094	1.1
191.05666	1.1
196.01137	1.3
209.11795	1.7
217.45039	1.3
341.79950	1.4
392.70963	1.2
587.39673	100.0
588.40216	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	809.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
60.63073	0.4
61.98810	0.5
63.92444	0.5
71.02430	0.4
78.50503	0.4
92.10150	0.6
99.92586	10.1
116.92868	100.0
116.97260	1.2
117.92871	1.0
135.27426	0.5
246.67166	0.5
300.78638	0.5
341.53638	0.5
355.97165	0.5
401.76880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.4
60.07845	0.3
61.98851	0.5
71.01414	0.7
85.02980	0.5
89.02456	0.5
93.03455	5.1
95.01407	0.6
101.02424	0.4
105.03478	0.4
108.02191	1.6
109.02968	3.0
116.92857	0.6
119.04995	0.4
121.02960	8.4
122.03748	15.1
123.00901	0.5
123.04523	2.0
124.01692	0.5
132.02209	0.4
133.02977	2.9
134.03783	3.7
135.04509	2.2
136.01669	5.9
137.02466	8.1
138.03249	0.5
139.04033	0.4
145.02995	0.8
146.03752	1.7
147.04550	0.7
149.02455	33.5
149.06041	3.3
150.03241	100.0
151.00375	2.1
151.04045	11.2
152.01166	1.3
152.04785	0.8
153.01965	0.8
153.05598	0.6
161.02510	0.5
161.06038	0.6
162.03267	0.8
163.04054	1.3
164.04816	7.8
164.07384	0.3
165.05580	81.1
166.02721	6.2
167.03477	0.8
173.04541	0.8
175.04015	0.7
177.01912	0.4
177.05569	1.4
179.03456	1.4
179.07179	4.3
180.04317	6.5
181.05090	7.0
184.03729	0.4
187.04063	0.6
189.05641	0.3
191.05609	1.7
192.04359	0.5
193.05072	1.5
195.06653	29.6
205.05054	2.6
207.06657	0.8
209.11855	0.6
219.06631	0.7
220.07553	2.5
251.57480	0.4
282.51770	0.4
283.06262	0.4
314.08017	0.5
315.08765	0.5
318.61945	0.4
329.10434	1.4
329.27780	0.4
373.12784	0.4
387.10602	0.6
387.14774	1.5
402.13171	0.5
416.15244	0.4
417.15594	5.0
535.16254	1.2
550.18396	0.5
564.20007	0.7
565.20850	14.8
577.19171	0.4
595.22046	2.2
613.23157	3.5
619.22424	0.8
713.26276	7.0
743.27576	2.6
761.28430	1.9
791.28931	0.5
809.30426	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	808.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01406	4.1
61.98839	6.2
64.09910	3.7
70.38712	3.9
78.95944	4.9
82.95422	100.0
84.00917	34.4
84.95148	9.4
92.10120	9.5
120.83355	3.9
131.77509	4.1
209.11893	75.1
215.12460	5.0
241.15012	4.0
277.21762	34.8
513.20209	4.9
551.10168	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48945	11.0
59.01389	11.2
101.02544	11.6
130.26866	10.5
209.11845	100.0
213.01085	11.2
289.18188	23.4
307.19296	24.3
387.74899	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	807.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94458	44.7
75.27377	43.3
79.73302	45.0
82.05883	48.7
98.11168	43.5
126.81494	44.9
157.28499	46.2
193.03049	56.6
234.90181	50.1
487.34167	100.0
488.34796	56.8
513.20355	54.6
807.42914	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	3.8
66.70354	4.2
75.49313	4.5
82.95428	100.0
84.00925	49.1
84.95181	7.9
92.10674	8.2
120.19238	4.7
209.11856	41.2
273.55646	4.6
277.21823	62.0
289.31622	4.5
450.77823	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	805.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
61.64967	0.4
62.83664	0.4
67.01898	1.6
71.01385	1.7
71.81346	0.3
81.03489	0.4
83.01383	0.4
84.34781	0.4
85.02959	2.1
87.00911	0.4
92.10119	1.3
92.65733	0.5
93.03471	2.4
96.96021	0.5
101.05412	0.4
108.02197	1.8
109.02956	5.7
119.05020	0.5
120.21999	0.4
121.02937	2.8
123.00893	2.5
123.04521	1.6
123.11642	0.4
124.01653	0.5
125.02449	0.6
128.35028	0.4
130.22356	0.4
135.04501	3.0
136.01704	1.7
137.02441	30.1
139.00313	0.6
139.04030	0.8
140.58049	0.4
145.02960	0.4
149.02448	2.5
150.03267	2.8
151.00368	11.2
151.04022	6.3
152.01169	3.5
152.04799	2.8
153.01956	1.6
159.04489	0.6
160.01579	0.4
161.02467	1.6
162.03209	0.9
163.03958	0.9
164.01137	2.7
164.04832	0.8
165.01935	100.0
165.05553	5.8
166.02719	41.5
167.03523	4.6
172.28580	0.4
175.04015	2.5
176.04803	0.5
177.01924	2.4
177.05597	1.6
178.02704	1.6
179.03511	24.7
179.07106	0.8
180.04292	59.1
181.05075	42.3
184.03693	0.7
187.03998	2.4
188.04758	0.4
189.05527	0.6
190.06349	0.8
191.03749	0.7
191.05635	10.1
191.07295	0.6
192.04332	0.9
193.05075	2.4
194.05902	5.0
195.03069	3.0
195.06647	69.4
202.06421	0.5
204.04463	0.5
205.05061	7.6
206.05728	0.4
207.06657	2.7
210.05391	10.9
211.05881	0.4
217.08722	0.4
219.06662	1.0
220.07419	5.9
225.07704	37.2
355.08170	0.6
359.11526	2.2
371.11243	0.8
372.12204	0.9
387.10507	7.7
387.14737	2.6
388.11758	0.5
402.13351	3.9
403.13828	1.0
416.14679	2.1
417.15631	37.6
418.15863	0.5
550.18030	0.5
565.16974	3.9
580.19647	0.7
595.21924	36.6
613.23431	0.6
643.24060	21.6
787.24927	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	805.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89725	0.3
58.24865	0.3
59.01388	1.6
67.01907	0.5
71.01378	0.8
75.07860	0.3
76.08465	0.3
81.54465	0.3
85.02965	1.5
89.02483	0.4
92.10784	1.2
93.03465	0.8
102.04301	0.3
107.34123	0.3
108.02169	0.4
109.02980	2.8
113.02448	0.5
121.02958	2.7
122.49611	0.4
123.00867	1.3
133.02966	0.5
135.04555	1.4
136.01630	0.5
137.02460	17.1
139.00381	0.4
139.03993	0.6
142.97858	0.4
145.02905	0.5
147.04642	0.4
148.01649	0.5
149.02470	0.8
149.06110	0.4
151.00398	5.8
151.04005	1.9
152.01237	0.6
153.02011	0.5
159.04439	0.4
163.04051	1.5
164.01155	0.7
165.01942	100.0
166.02721	18.8
167.03427	1.5
173.04509	1.4
175.04008	0.5
177.01938	1.7
177.05606	0.4
179.03516	14.4
180.04300	60.5
181.05083	21.8
190.02608	0.4
190.06322	0.3
191.03813	0.7
191.05609	6.7
192.04315	0.8
193.05112	0.5
194.05945	3.5
195.03073	2.6
195.06650	75.0
203.03618	0.7
205.05080	1.8
205.08730	0.4
207.06705	1.5
210.05365	15.0
220.07437	0.6
222.96034	0.4
225.07722	58.3
226.08099	0.4
251.09048	0.5
359.11478	0.4
372.12256	0.7
373.13159	0.4
387.10211	3.3
387.15295	4.0
402.13303	1.9
417.15622	17.4
441.65524	0.4
595.21991	3.5
643.24182	15.6
805.29498	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
58.00583	0.4
58.36228	0.2
59.01387	34.0
60.01741	0.3
67.45367	0.3
71.01385	19.0
71.01779	0.6
72.99310	0.6
73.02954	1.7
73.06409	0.3
83.01383	1.3
85.02957	6.0
87.00861	1.3
89.02443	17.3
92.10130	0.9
95.01382	1.1
96.11149	0.3
99.00906	0.5
101.02439	10.8
107.05049	2.6
108.02184	1.7
109.02952	0.6
113.02469	7.0
119.03496	6.8
119.04902	0.3
121.02956	28.8
131.03513	0.5
133.02998	0.3
134.03731	0.7
135.04536	19.0
143.03516	0.6
147.99988	0.3
149.00661	3.7
151.03999	1.4
152.01172	1.6
153.01952	0.5
161.02444	1.3
161.04570	1.6
162.03241	77.2
163.04019	4.3
163.06123	1.0
173.04668	0.4
175.11328	0.3
177.05591	100.0
178.05914	1.5
179.05630	2.5
181.07230	3.0
182.96335	0.3
191.05627	3.3
192.99728	1.0
193.05090	0.6
195.06662	1.8
205.07214	0.5
209.04564	0.4
223.06105	0.7
276.23111	0.2
283.08331	0.7
315.07431	1.0
325.08038	0.5
325.11530	8.1
357.08237	0.5
357.12012	9.4
398.98822	0.3
399.03976	1.2
399.09024	0.4
414.09247	0.3
447.15128	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	805.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.6
63.02417	0.3
65.00335	1.7
71.01398	0.5
77.96864	0.2
83.01408	0.5
85.02976	0.4
88.06073	0.3
88.73781	0.3
89.32919	0.3
91.01891	4.4
92.10828	0.5
93.03461	3.7
101.02450	0.3
107.01381	2.4
108.02181	1.8
109.02962	20.4
119.05022	0.7
121.02964	4.6
131.04997	1.3
135.04504	0.6
137.02440	1.5
141.10027	0.3
143.05045	15.0
145.02951	0.7
146.03770	3.7
147.04526	4.1
148.01671	1.4
151.00394	10.1
153.01952	0.4
159.04507	1.8
163.00359	3.3
165.02066	0.3
169.01350	0.3
178.99870	4.5
187.04041	0.4
191.05600	3.4
193.01369	0.3
196.05217	0.4
209.06155	0.6
211.04123	0.5
211.07693	0.7
215.03571	0.4
216.04324	0.5
220.61493	0.3
226.02704	1.3
227.03595	1.9
229.05101	0.4
235.07692	7.1
236.08435	0.5
238.06447	0.4
243.03033	7.5
245.04607	1.4
251.07199	3.7
252.07854	1.3
253.08728	39.0
254.02220	2.5
254.09009	0.4
255.03023	24.7
256.03540	0.6
271.02527	54.0
272.03003	2.2
273.03839	0.4
283.02512	0.6
297.07730	12.3
299.01993	1.5
300.02802	100.0
301.03577	29.7
302.03848	0.4
335.02063	0.6
390.81271	0.3
463.08948	72.3
464.09024	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	12.0
62.18445	0.4
62.51466	0.4
67.01904	0.6
69.03461	1.8
71.01382	11.3
72.99348	0.4
73.02952	6.6
75.00897	2.4
76.57758	0.4
82.89444	0.4
83.01410	0.6
83.05039	0.5
85.02968	5.1
87.00875	2.0
88.90526	0.5
89.02446	20.3
92.10928	0.6
93.03465	8.5
99.00879	0.7
101.02450	2.2
103.04011	0.9
105.01951	1.0
113.02456	2.0
115.00382	0.9
119.05047	4.4
121.02959	100.0
122.03252	0.7
131.03517	3.1
135.03067	4.2
135.04538	61.8
137.02434	2.1
147.04507	0.7
163.04010	10.4
173.04533	3.1
187.07788	0.6
191.05632	20.4
234.93571	0.5
237.04054	0.6
283.09750	0.6
289.05899	1.0
295.09790	0.8
298.40167	0.6
327.08905	3.5
382.69989	0.5
384.69003	0.5
401.14697	2.8
415.12534	72.3
416.06729	0.5
416.12411	1.1
433.92200	0.5
463.10718	1.0
586.97430	0.6
734.51935	0.7
803.23840	4.6
804.23480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	12.0
62.18445	0.4
62.51466	0.4
67.01904	0.6
69.03461	1.8
71.01382	11.3
72.99348	0.4
73.02952	6.6
75.00897	2.4
76.57758	0.4
82.89444	0.4
83.01410	0.6
83.05039	0.5
85.02968	5.1
87.00875	2.0
88.90526	0.5
89.02446	20.3
92.10928	0.6
93.03465	8.5
99.00879	0.7
101.02450	2.2
103.04011	0.9
105.01951	1.0
113.02456	2.0
115.00382	0.9
119.05047	4.4
121.02959	100.0
122.03252	0.7
131.03517	3.1
135.03067	4.2
135.04538	61.8
137.02434	2.1
147.04507	0.7
163.04010	10.4
173.04533	3.1
187.07788	0.6
191.05632	20.4
234.93571	0.5
237.04054	0.6
283.09750	0.6
289.05899	1.0
295.09790	0.8
298.40167	0.6
327.08905	3.5
382.69989	0.5
384.69003	0.5
401.14697	2.8
415.12534	72.3
416.06729	0.5
416.12411	1.1
433.92200	0.5
463.10718	1.0
586.97430	0.6
734.51935	0.7
803.23840	4.6
804.23480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.4
58.00610	0.4
59.01389	21.5
69.03465	0.5
71.01385	23.1
72.99318	0.6
73.02951	7.9
81.03481	0.3
83.01398	3.7
85.02956	10.6
87.00883	1.3
89.02444	12.8
93.03470	0.5
94.56421	0.4
95.01386	1.6
97.02962	1.6
99.00870	3.3
100.63072	0.3
101.02440	18.4
107.05014	0.3
113.02453	9.1
119.03518	1.1
121.02954	100.0
122.03309	0.3
125.02432	2.0
129.01988	0.4
131.03537	2.0
135.04530	7.3
135.45464	0.3
143.03494	1.1
149.04576	3.9
159.03017	1.6
161.04564	8.6
163.03986	0.4
173.04591	0.6
191.05640	1.9
207.10254	1.2
217.90147	0.3
265.09335	1.1
269.10342	20.9
293.08820	4.0
387.12891	5.0
387.16785	6.5
401.14786	19.2
415.12885	1.9
539.45410	0.3
601.27570	0.3
734.17578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.3
58.00600	0.2
59.01394	12.2
67.01916	0.2
69.03476	0.3
71.01394	9.9
71.01783	0.4
71.67674	0.2
72.99337	0.2
73.02947	2.3
75.00864	0.2
81.03461	0.3
83.01398	0.8
85.02969	3.7
86.56815	0.2
87.00900	0.5
89.02457	10.6
93.03451	1.4
95.01419	0.3
97.02973	0.8
99.00862	1.5
101.02452	6.7
101.03102	0.4
101.68153	0.2
109.02985	0.2
111.00893	0.2
111.04511	0.2
111.67175	0.2
113.02466	2.2
115.50312	0.2
119.03503	0.4
120.29658	0.2
121.02963	100.0
122.03305	0.8
125.02478	2.4
131.03531	2.3
133.02982	0.2
135.04541	6.5
143.03479	0.3
149.04565	4.6
161.04558	1.2
163.04034	1.3
173.04633	1.8
173.24583	0.2
175.04025	0.2
191.05626	4.1
202.95132	0.2
207.10281	0.3
233.06789	0.3
265.09351	1.4
269.10342	2.8
293.08835	5.3
309.10831	0.2
387.12549	4.3
387.17679	2.4
401.10760	1.0
401.15518	2.2
415.12515	2.3
435.24478	0.2
446.42963	0.2
488.46771	0.2
493.38129	0.2
659.67242	0.3
803.24261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51707	0.6
59.01394	0.7
61.98838	100.0
83.02057	0.6
109.09003	0.7
159.17833	0.8
165.52112	0.9
181.45056	0.7
200.28305	0.7
209.11728	1.3
355.68817	0.9
356.10748	0.7
750.36292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.8
61.98834	100.0
63.27256	0.6
82.96516	0.7
89.02470	0.8
99.00913	1.1
104.74445	0.7
106.50494	0.8
121.25238	0.7
125.09748	1.0
171.10316	1.6
197.11790	1.2
207.10237	0.9
207.91821	0.7
223.09778	1.5
225.11324	1.5
277.21759	8.7
329.81226	0.9
534.42706	0.8
719.40338	1.1
739.42657	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	802.206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.7
61.98841	100.0
106.45706	0.1
117.03484	2.6
145.01860	0.3
145.02982	6.9
151.59628	0.1
267.44449	0.2
309.67001	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	8.4
61.98838	72.2
65.16286	1.8
71.01389	11.7
78.95914	2.6
83.05061	2.0
85.02912	2.2
89.02464	4.0
101.02451	3.3
109.06559	2.6
116.92987	2.2
120.52037	2.2
163.11307	3.4
171.10287	54.6
185.40012	2.2
201.11320	20.8
207.10289	14.5
209.11803	11.2
210.12239	2.0
225.11328	34.7
253.09447	8.4
277.21768	100.0
278.22101	9.4
333.99142	2.4
407.19641	2.2
440.41669	2.3
443.19000	3.2
461.20438	4.1
513.30414	4.1
588.33209	2.3
721.41791	10.4
775.40485	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	802.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51707	0.6
59.01394	0.7
61.98838	100.0
83.02057	0.6
109.09003	0.7
159.17833	0.8
165.52112	0.9
181.45056	0.7
200.28305	0.7
209.11728	1.3
355.68817	0.9
356.10748	0.7
750.36292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	0.7
59.01394	6.4
61.98840	3.1
71.01393	3.9
75.03320	0.6
76.57629	0.6
80.02673	0.6
83.05046	3.6
84.31120	0.6
86.42764	0.6
89.02458	3.0
92.10208	0.6
98.76553	0.6
101.02448	3.7
113.02470	2.7
125.09728	1.3
127.11291	3.3
127.90872	0.6
135.08119	0.8
155.10732	1.1
161.04549	0.8
163.11278	2.6
165.12872	1.4
171.10283	1.4
181.12363	0.6
199.13478	0.9
201.11368	37.3
209.11879	74.0
227.12907	8.8
235.08284	3.7
253.09387	11.4
277.21771	100.0
278.22223	2.1
437.20319	1.1
445.20850	2.3
463.22021	0.8
513.30670	2.8
723.43573	0.8
801.43982	0.7
834.01624	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15904	0.8
59.01384	2.9
60.66297	0.7
61.56487	0.6
61.98838	100.0
71.01382	1.2
85.02977	0.7
86.90540	0.7
92.10880	1.4
93.03468	1.0
95.91257	0.7
98.93678	0.7
117.03483	4.7
121.02979	3.6
145.02959	10.7
153.00459	0.8
172.30565	0.7
191.05615	1.0
209.11797	0.9
409.06595	0.8
609.04059	0.8
760.97681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03478	0.1
59.01381	1.1
60.99301	0.1
64.41857	0.1
66.80132	0.1
67.01924	0.2
71.01396	0.5
73.02987	0.2
83.05028	0.2
85.02965	6.3
87.00877	1.4
92.10067	0.2
93.03461	2.5
95.10566	0.1
99.04536	0.2
100.40134	0.1
105.03488	0.2
107.13609	0.1
109.02965	0.6
111.04528	1.0
127.04025	1.8
133.02960	1.7
134.03253	0.1
135.04543	0.6
137.02460	0.1
141.29738	0.1
141.72949	0.1
155.03490	0.2
155.13367	0.1
161.02458	2.8
161.03732	0.2
171.03046	0.5
173.04549	1.1
177.01994	0.1
179.03519	0.5
191.05643	100.0
192.06007	1.1
199.01930	0.1
215.05507	0.1
250.88762	0.1
275.34082	0.1
351.07242	0.1
353.08844	13.6
354.09317	0.2
474.84607	0.1
575.78430	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.1
58.03751	0.1
58.21058	0.1
59.01377	0.9
62.79938	0.1
65.23271	0.1
67.01899	0.2
69.03475	0.1
71.01404	0.7
73.02967	0.2
81.03479	0.1
83.05052	0.1
85.02961	6.7
87.00880	1.3
87.01324	0.1
93.03466	2.4
97.28363	0.1
105.03515	0.2
109.02981	0.6
111.04544	0.9
127.04027	1.6
133.02966	2.0
134.03339	0.4
135.04559	0.5
155.03506	0.1
157.27155	0.1
161.02451	2.7
171.03072	0.7
173.04550	1.2
177.01913	0.2
179.03510	0.4
182.65665	0.1
191.05641	100.0
192.06032	1.3
239.29942	0.1
351.07214	0.2
352.07703	0.2
353.08838	13.5
354.09201	0.2
575.90161	0.1
601.42609	0.1
686.99841	0.1
834.85712	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	11.9
60.12377	2.1
60.94663	1.6
61.98840	30.4
69.03454	3.9
71.01400	12.6
73.02956	2.7
78.95930	2.2
89.02450	4.2
101.02480	8.0
111.04532	4.8
125.09740	3.7
133.51036	1.8
151.11234	2.7
159.06827	2.1
161.09709	4.3
171.10243	13.6
175.04256	2.2
179.10747	10.3
192.01659	2.0
196.69836	1.9
197.11864	41.6
199.09749	10.2
205.08717	2.8
207.10330	3.5
223.09824	15.9
225.11427	2.7
253.09372	8.9
277.21750	99.8
278.22058	11.3
383.45349	2.1
441.60016	2.4
459.18451	3.1
695.39807	2.8
719.40088	10.9
737.41309	100.0
737.54297	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	800.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27126	4.4
61.98853	23.0
71.01398	8.8
78.95924	7.7
84.10912	4.8
90.32206	5.8
93.99575	5.7
99.84607	6.9
111.04540	6.6
144.46062	5.6
171.10260	8.5
215.78043	5.9
223.09810	7.8
277.21805	100.0
278.22192	7.2
279.23373	5.5
289.41113	6.5
293.93118	5.5
390.47940	6.1
497.04675	6.0
520.91943	5.8
530.06689	6.1
723.28607	6.3
737.40924	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	800.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84616	4.8
59.01391	9.0
61.98832	47.7
70.42266	5.4
71.01390	12.4
76.57497	4.7
92.14133	5.3
111.04581	7.8
118.37858	5.1
171.10278	32.1
179.10864	10.9
197.11896	12.9
199.09863	7.2
205.08696	5.9
207.10214	6.0
223.09799	34.7
225.11212	8.5
253.09286	7.2
277.21771	100.0
278.22028	13.9
313.35464	6.1
444.98199	5.9
459.18607	8.8
511.60886	6.2
557.01709	6.9
719.40308	26.9
737.41583	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	4.9
71.01381	1.6
80.02696	2.9
83.05046	4.3
89.02478	1.7
92.10858	1.9
94.23565	1.2
95.00683	1.3
101.02477	1.3
108.65916	1.2
130.49400	1.3
143.54929	1.1
163.11307	2.3
165.12878	1.9
171.10316	2.2
195.13950	1.9
209.11867	100.0
227.12910	9.9
235.08318	1.4
252.01964	1.4
253.09270	7.6
275.20175	5.3
293.21243	30.2
378.46262	1.2
687.87347	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53685	2.0
58.47129	2.4
59.01398	11.2
59.73434	2.8
61.98843	2.4
71.01398	10.1
78.95916	71.4
80.86605	2.6
83.05051	4.0
85.02967	3.1
87.51636	2.2
88.98798	3.1
89.02467	3.5
89.19633	2.8
96.96983	24.1
101.02445	4.0
109.06602	3.3
113.02456	2.9
125.09710	3.3
127.11331	5.1
130.86768	3.0
152.99609	20.4
163.11316	5.7
171.10278	46.4
199.09694	3.0
201.11339	96.0
207.10353	17.2
209.11855	73.9
223.00018	3.6
225.11301	29.2
227.12575	2.7
235.08354	3.0
241.01263	39.3
253.09448	3.1
255.23329	49.9
277.21765	92.6
297.03824	3.1
297.24353	29.2
309.06250	2.8
324.73605	3.3
461.20584	3.7
590.77777	2.9
700.30371	3.1
799.42523	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	799.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00939	0.2
58.00599	0.2
59.01388	4.1
59.01656	0.3
60.84937	0.2
71.01379	3.9
73.02941	1.9
74.02465	0.3
75.00881	0.5
78.29040	0.2
83.01379	0.2
83.05029	0.2
85.02966	4.3
86.00121	0.4
87.00876	2.4
89.02470	1.4
93.03477	1.1
95.01407	0.3
97.43881	0.2
99.00898	0.3
101.02468	1.5
109.03005	0.3
113.02467	2.0
115.04008	1.6
119.03507	1.3
119.05052	1.0
121.02966	100.0
122.03283	0.4
131.03540	1.8
134.03812	0.3
135.02922	1.0
135.04539	25.8
147.03067	0.3
147.04552	0.3
159.04462	0.2
161.04556	1.1
163.04015	4.8
173.04649	0.3
179.95674	0.2
191.05635	3.4
193.05038	0.5
203.08371	0.3
211.05928	0.4
211.07686	1.2
223.06252	1.9
245.09354	0.4
255.03017	0.3
265.07019	0.2
271.02612	1.0
283.08212	0.5
289.51257	0.2
300.02771	1.5
301.03647	0.4
325.09360	7.8
399.12723	1.7
463.09027	1.0
518.89813	0.3
662.71521	0.3
739.34357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11509	0.1
56.48154	0.1
58.17363	0.1
59.01389	2.7
71.01382	0.7
71.84798	0.1
72.99315	0.1
73.02953	0.5
83.01392	0.1
85.02950	0.4
92.10094	0.2
93.03447	0.3
95.05013	0.1
96.70265	0.1
101.02467	0.4
105.07089	0.1
106.04243	0.4
107.05033	0.1
108.02171	0.1
121.02962	98.6
122.03266	0.5
123.04482	0.6
131.05058	1.1
132.05829	2.2
133.06606	100.0
134.06953	0.7
135.04535	0.5
149.02396	0.1
161.04530	0.2
163.04034	0.4
203.05710	0.5
205.05101	0.4
217.08730	0.1
318.38077	0.1
337.12970	1.4
353.23151	0.1
363.53806	0.1
417.11996	14.9
417.40497	0.1
418.12506	0.1
419.92133	0.1
768.04883	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	799.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97976	0.7
59.01390	8.4
59.21830	0.7
64.34717	0.8
71.01403	8.9
73.02983	1.2
73.91042	0.8
85.02969	19.3
87.00871	6.2
89.02475	3.8
93.03486	13.1
95.01393	1.0
101.02480	1.1
108.02200	1.0
109.02991	4.0
111.04542	1.7
113.02435	7.3
119.05014	3.7
121.02942	8.4
123.04526	1.4
127.04015	2.1
132.02167	5.1
133.02971	1.3
135.02997	1.3
135.04549	5.0
137.02434	1.2
153.01938	1.6
161.04610	1.0
163.04013	4.0
171.04472	0.9
173.04507	3.5
175.34613	0.9
191.03630	6.1
191.05644	88.1
192.06027	1.6
192.99782	1.3
195.04491	1.7
198.06870	3.5
199.04105	1.2
207.04510	1.7
211.04123	1.7
213.05608	1.6
223.04034	16.8
229.04901	1.3
235.04039	9.3
238.02797	1.1
239.03542	5.1
241.05144	1.3
250.02667	1.9
251.03627	7.8
263.03528	1.3
266.02243	1.3
267.03091	11.5
269.04611	1.6
279.03061	10.7
280.03839	3.7
280.47217	1.0
280.98026	0.9
288.08081	1.8
295.02805	1.4
299.07349	6.3
300.08026	1.5
301.08597	1.7
311.07413	1.4
315.06726	13.4
316.07452	6.5
323.01978	1.8
323.61194	0.9
324.02878	1.5
325.05042	1.2
327.06696	8.6
328.07471	5.5
329.08145	2.1
343.06152	25.1
344.06848	8.3
345.07901	8.9
353.04636	1.0
353.08936	3.4
355.06339	3.0
357.07626	1.8
371.05725	10.4
372.06396	13.8
373.07236	8.8
400.05972	71.6
401.06741	65.4
402.07040	1.8
418.07202	2.0
419.07895	1.8
441.10403	1.3
444.05194	1.5
445.05692	4.9
538.12244	1.0
563.12085	100.0
564.12488	2.1
581.13269	4.8
607.10980	10.8
612.32849	0.9
637.11896	5.4
739.33887	1.0
760.07123	1.1
799.17816	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	799.175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13827	0.8
59.01394	9.2
61.24086	1.0
67.01907	1.5
69.03473	1.7
70.71486	1.0
71.01384	14.2
71.40318	1.0
73.02929	1.4
75.00885	2.2
85.02950	18.1
87.00890	6.8
89.02449	2.5
93.03461	20.5
96.96037	1.7
99.04568	1.4
101.02457	2.1
108.02210	1.7
109.02934	2.1
111.04543	2.0
113.02491	1.4
115.00397	1.8
119.05033	7.3
121.02958	47.1
122.03333	1.4
123.04433	1.3
127.04019	2.0
132.02187	4.4
133.02998	1.5
135.03030	2.5
135.04520	12.5
137.02455	7.3
145.03008	2.0
145.81825	1.0
153.01945	1.5
160.04050	6.2
163.04045	9.0
166.02716	1.6
171.04518	1.5
171.65240	1.3
173.04567	5.2
189.09715	1.2
191.05649	98.4
193.05087	1.3
211.04030	2.3
213.05647	2.5
223.04034	16.3
225.01988	1.8
225.05498	1.8
234.03024	1.2
235.03981	8.2
237.04025	2.3
239.03584	6.5
240.04068	1.3
241.05110	2.0
250.02702	2.1
251.03523	7.9
267.02975	11.3
268.03589	1.5
279.02972	7.5
280.03796	1.9
282.01572	1.3
282.06818	1.3
287.06958	1.3
299.07166	6.2
301.08759	1.4
315.06741	17.1
316.07361	5.2
317.08267	1.3
323.01840	1.7
324.02808	4.3
327.06320	9.1
328.07431	4.5
329.08408	4.5
343.06161	27.9
344.06927	6.1
345.07816	9.4
356.06775	1.9
357.07724	1.2
371.05609	12.3
372.06348	13.7
373.07254	7.7
400.05972	69.3
401.06738	67.0
402.07159	1.5
415.12466	2.7
416.12738	2.1
418.07010	1.5
419.07706	1.9
444.04694	2.3
445.05566	2.8
563.12054	100.0
564.12390	4.8
581.13116	5.9
591.14374	1.3
607.11102	9.8
637.12164	2.8
799.16754	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	797.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15219	0.9
56.63549	0.8
69.03454	0.8
93.08118	0.8
109.06593	1.1
111.08162	16.6
114.85751	0.9
129.46181	1.1
151.04120	1.1
153.12869	1.1
166.44551	0.9
169.12349	5.7
181.12390	1.0
183.13817	1.7
195.85587	0.9
197.11861	68.7
199.13431	1.9
211.13434	11.0
227.12817	1.6
263.20239	5.1
265.18079	1.2
291.19690	10.5
309.17505	4.4
309.20746	100.0
487.34384	28.3
501.74332	1.0
573.98309	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99292	0.3
64.56068	0.3
69.03470	1.3
74.83979	0.3
80.23257	0.3
83.05055	0.5
85.02976	0.6
93.03494	0.4
97.02949	13.0
99.00901	0.5
109.06573	0.5
111.00961	0.4
111.08112	0.3
119.08645	1.5
121.10261	1.3
125.09736	1.3
126.49407	0.4
137.09734	6.9
139.11316	0.4
151.04021	2.6
151.07640	3.8
152.08467	4.5
155.10756	0.4
171.10286	12.5
177.12950	0.4
184.07468	0.8
185.10185	0.6
185.11855	16.1
195.13896	1.3
197.33875	0.4
209.15514	5.5
211.13408	1.6
221.11845	2.5
239.12985	2.0
247.20557	0.4
252.09920	1.0
265.18146	1.8
273.18658	1.8
291.19690	22.4
309.17184	9.0
309.20715	61.5
310.21173	0.8
487.34381	100.0
488.34720	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	14.6
61.98853	6.0
62.84894	2.1
72.18517	2.6
76.54637	2.5
78.95917	37.2
79.10490	2.8
83.01444	3.8
92.02232	2.9
97.27917	2.5
116.92876	2.5
125.00112	4.2
152.99571	9.6
163.11292	4.1
165.12939	3.1
168.04298	5.0
181.12334	3.9
209.11865	90.3
220.75771	2.4
223.13495	6.0
224.07076	5.0
226.12177	4.7
227.12962	4.0
241.14503	38.7
255.20670	3.3
255.23354	100.0
401.35477	2.8
566.03467	2.6
610.23608	2.9
619.36523	4.7
704.45331	57.4
722.46234	37.2
764.71252	2.8
827.39191	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	797.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	8.6
61.98825	9.9
64.34690	1.2
67.48744	1.1
78.38959	1.2
78.58468	1.4
85.02950	1.3
93.03485	1.7
121.02967	5.5
132.02199	5.2
133.02965	57.6
135.04507	1.5
161.02466	100.0
311.13284	1.5
471.52737	1.5
501.32596	3.1
507.52689	1.5
535.15149	1.5
545.24866	1.6
579.97833	1.5
797.21539	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	797.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.5
61.98859	0.4
71.01388	2.5
72.99326	0.5
73.06700	0.3
78.04698	0.3
79.95786	0.4
80.02711	0.5
81.03489	1.2
83.01398	0.3
83.05026	3.7
84.02169	0.6
85.02950	0.5
89.02464	1.2
92.10106	1.0
93.03461	1.9
96.96018	14.0
97.95962	0.4
98.95608	6.5
98.96419	0.6
99.00887	0.4
99.92585	0.4
101.02458	1.6
108.02199	0.4
109.02998	0.4
113.02507	0.6
117.03471	0.7
119.05040	0.4
120.09883	0.3
121.02961	7.1
125.06087	0.5
131.43654	0.3
132.84604	0.3
137.02464	1.6
140.40614	0.3
145.02966	4.0
152.01120	0.4
161.04634	0.6
163.11299	3.4
165.12817	2.4
171.10298	1.2
173.04565	1.6
177.01930	0.5
181.12425	0.5
191.05655	0.5
191.10817	0.6
200.19122	0.3
209.11874	100.0
210.12265	0.4
211.07689	0.5
227.12920	8.5
235.08232	1.9
253.09320	3.3
350.06015	0.3
401.08817	0.5
445.20740	3.9
469.99606	0.3
637.32379	1.5
753.08307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	100.0
66.96299	0.5
84.61256	0.5
87.83810	0.5
92.10088	2.9
94.83778	0.5
104.90861	0.7
106.23952	0.6
117.46128	0.7
176.34479	0.6
191.05692	0.6
469.29593	1.4
470.29431	0.9
517.31964	3.8
782.05194	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	16.6
59.15966	0.5
59.32909	0.5
59.86839	0.5
61.98837	26.1
71.01385	5.1
73.02977	0.9
75.54629	0.6
83.21810	0.5
85.02977	3.8
86.20543	0.7
87.00893	1.1
88.98830	1.0
93.03470	3.3
96.96008	29.4
99.00916	1.0
101.02472	3.4
113.02453	3.0
117.03484	1.0
121.02941	7.7
131.03746	1.5
132.02168	10.8
133.02975	2.5
134.03740	25.0
135.04536	2.7
137.02448	1.1
145.02950	1.3
149.06093	5.0
150.03255	0.9
150.33150	0.6
160.01672	87.0
161.02361	3.2
161.04639	2.6
173.04581	7.8
174.04985	0.7
175.04018	95.6
176.04468	0.9
178.02713	2.2
191.05547	1.2
192.04361	1.1
193.05086	17.1
207.06659	1.5
235.06186	1.4
295.08386	1.2
337.09326	7.3
378.70850	0.6
402.82846	0.6
459.13312	0.8
470.14661	100.0
471.15063	1.4
471.35297	0.6
574.17456	0.8
624.88885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	2.1
61.98858	2.7
63.13158	0.4
65.55151	0.4
66.36990	0.5
71.01080	0.6
71.01408	4.7
72.28654	0.5
73.02959	1.1
74.65362	0.5
74.80849	0.5
83.01397	0.6
85.02984	2.4
92.10485	2.2
96.96040	0.9
101.02478	2.7
112.80048	0.5
113.02460	2.9
121.02976	3.0
125.02418	0.5
129.76920	0.6
131.03751	1.3
132.02184	11.6
133.02980	1.2
134.03751	19.1
134.04718	1.0
135.04556	1.1
137.02452	1.1
149.06102	3.3
160.01675	83.1
161.02394	0.6
161.04582	3.8
161.85297	0.6
175.04019	100.0
176.04387	0.5
178.02734	0.8
191.05705	0.8
193.05086	15.8
196.05350	0.5
208.62598	0.6
209.11780	0.8
337.09402	3.6
452.13730	0.6
470.14658	75.2
471.15280	2.5
537.49628	0.6
574.17175	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	795.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71436	74.9
65.91383	79.6
67.24708	87.9
80.94403	100.0
105.52457	96.4
150.86809	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98848	0.8
71.01381	5.4
127.07682	0.7
148.05315	0.7
151.07680	0.3
164.08484	0.7
177.09235	3.7
183.75182	0.2
192.11569	7.2
193.12425	0.3
205.12390	3.8
207.13972	1.3
218.09483	2.5
220.14719	47.7
221.15497	100.0
222.15767	1.6
225.49767	0.2
235.13519	0.7
236.10570	64.9
237.11090	1.3
289.85831	0.2
293.17636	42.9
294.18082	0.6
305.35077	0.2
322.39081	0.2
453.29871	0.2
501.32333	0.2
515.50446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70037	0.5
56.55980	0.5
57.03458	0.7
59.01387	6.5
61.98581	0.6
61.98824	5.0
71.01389	4.1
71.05010	1.6
73.02950	1.2
81.03472	1.0
83.05022	5.6
85.02945	1.3
87.00873	1.1
88.98792	1.3
89.02460	3.9
95.05041	0.8
97.02946	2.8
99.00876	5.6
101.02447	3.7
104.58966	0.8
109.06614	0.8
113.02470	1.6
121.03011	1.5
125.09735	11.2
137.02388	0.8
163.11284	11.7
165.12874	1.5
165.37875	0.8
181.12372	15.3
183.13892	0.8
191.10678	1.0
207.10283	31.3
207.12152	1.3
209.11871	100.0
211.55980	0.6
225.11375	62.7
227.12910	11.1
235.08295	0.8
243.12407	4.6
253.09351	5.5
257.14026	11.1
299.14944	0.9
400.21216	0.6
445.20825	1.2
461.20404	14.2
653.31842	15.2
671.33154	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	795.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27037	0.2
59.01400	1.5
61.98849	2.8
62.65337	0.3
71.01401	0.5
78.95910	2.5
79.95745	2.4
88.98816	0.5
93.03442	0.5
96.96017	100.0
96.97002	2.7
109.81762	0.3
117.03476	3.0
121.02960	1.1
134.07582	0.3
145.02974	8.4
174.02740	0.3
191.05569	0.3
496.18546	0.3
526.14612	0.3
573.40857	0.3
639.30054	0.3
730.99799	0.4
795.39252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.1
57.76688	0.8
58.25475	0.8
58.78675	0.8
59.01384	9.4
69.03467	1.8
71.01383	6.8
73.02948	1.9
73.04962	0.7
81.03468	4.5
85.02956	8.5
87.00871	1.3
87.04516	3.3
89.02454	2.1
93.03467	8.3
95.01393	2.0
96.96020	7.7
97.02954	4.6
98.50744	0.8
101.02462	2.0
107.01381	1.0
107.05026	1.0
108.02185	95.3
109.02967	56.3
113.02448	1.4
119.05024	2.1
120.35101	0.8
121.02985	7.6
123.00887	2.2
123.04554	1.5
125.02427	5.2
133.02924	1.4
135.00887	5.3
135.04530	4.5
137.02467	1.6
137.09749	6.5
145.02945	1.6
149.02472	2.0
150.03224	1.0
151.03976	1.8
152.01175	100.0
153.01959	42.1
155.10805	25.7
163.04016	4.7
165.01900	1.3
167.03482	1.3
167.10706	0.9
169.12250	1.4
173.04581	4.8
177.01981	1.4
179.10756	1.8
181.08710	3.8
187.03951	1.1
191.05679	11.1
195.10243	1.3
199.09871	10.2
201.05620	3.9
201.93282	0.9
209.11880	1.1
210.63162	0.8
211.07922	1.1
216.01407	1.0
227.03459	3.6
229.19421	1.0
241.10855	4.8
283.11957	1.7
388.85699	0.9
453.17471	1.2
497.17148	1.4
751.24597	19.3
771.72717	1.2
795.23615	45.9
795.38129	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.6
61.98835	23.5
70.06758	0.5
71.01402	0.8
73.02965	0.4
78.95901	5.5
79.95748	3.0
88.98779	0.5
90.93336	0.4
93.03444	0.9
94.99105	0.4
96.96011	100.0
96.96900	6.0
110.29501	0.4
114.39894	0.4
116.92878	0.4
117.03445	2.4
121.02929	0.9
135.04463	0.5
145.02982	7.8
153.01866	0.4
163.17412	0.5
164.04770	0.6
164.12845	0.5
173.04509	0.6
191.05719	0.8
205.04266	0.4
374.76047	0.4
426.17105	0.5
454.38577	0.4
779.73004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	12.1
71.01394	5.6
78.01453	5.8
78.95922	5.8
93.51783	5.9
95.26478	5.9
124.86239	5.6
125.86464	6.8
126.27137	5.7
128.92018	6.0
171.10251	45.7
177.39040	7.2
199.09848	11.5
201.11339	34.7
206.87852	5.9
207.10271	9.6
225.11430	26.5
253.09254	7.7
277.21759	100.0
435.18671	7.9
461.20236	7.6
625.47601	7.3
695.41486	7.0
711.47845	6.8
721.42603	9.5
755.84833	7.7
757.43573	12.5
807.01190	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	793.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.8
59.75075	1.3
71.01386	12.3
71.23389	1.7
76.92613	1.6
78.77673	1.3
79.59592	1.2
82.95434	6.2
85.02962	1.5
87.98972	1.6
89.02445	2.2
92.10123	5.2
107.04298	1.7
108.04025	1.6
109.06626	2.4
113.02444	1.6
113.82993	1.5
120.95586	1.6
125.09726	1.9
163.11330	1.9
171.10312	13.6
181.12337	3.6
199.09801	14.2
199.13422	2.6
201.11378	16.1
207.10274	10.5
225.11334	13.5
235.08360	3.1
253.09326	9.3
277.21780	100.0
346.33353	1.5
356.91687	1.7
381.53369	1.7
402.96921	1.8
406.82230	1.6
443.19516	2.3
618.23645	1.5
695.40161	3.8
721.42316	2.8
739.42554	3.5
757.44275	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	793.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.4
68.21981	1.7
68.85658	2.1
71.01405	10.0
78.95924	1.9
85.02971	1.9
89.02549	1.5
92.10800	6.8
100.04262	1.7
101.02473	3.3
105.01665	1.6
112.40233	2.1
113.02499	2.4
116.92963	2.2
125.09723	2.2
163.11316	3.4
171.10249	15.2
183.33456	1.9
199.09811	12.7
199.13278	2.2
201.11363	26.6
207.10321	16.7
218.33821	2.2
225.11337	21.4
235.08295	2.0
240.43085	2.1
253.09306	8.7
277.21762	100.0
291.19632	2.3
381.45493	2.0
435.18729	2.4
461.20468	3.0
523.30304	2.1
546.76654	2.5
695.40192	10.3
721.41742	3.2
739.43585	3.8
757.43951	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	793.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87648	0.2
59.01406	0.6
60.25634	0.1
69.03503	0.2
70.82269	0.1
71.01398	0.3
75.00882	0.2
81.03472	0.9
85.02972	0.8
92.65535	0.2
93.03468	1.1
95.01402	0.3
97.02986	0.3
98.05375	0.2
103.06480	0.2
107.01452	0.1
107.05039	0.2
108.02193	100.0
109.02999	15.5
110.03305	0.3
111.83884	0.2
119.05043	0.6
121.02960	6.6
123.00877	0.7
123.04521	1.6
124.01683	1.5
125.02458	5.9
133.02983	1.3
134.03769	0.3
135.00877	0.2
135.04497	0.4
137.02452	0.4
145.02931	0.3
149.99614	2.7
150.29047	0.2
151.00410	0.2
151.04054	2.2
152.01176	60.3
153.01967	17.4
154.02380	0.2
160.56767	0.2
163.04008	1.8
165.01942	1.0
168.00653	6.4
169.01358	0.2
176.83720	0.2
179.03575	0.2
182.31056	0.2
185.06091	0.2
191.05655	0.9
195.02985	0.2
233.59624	0.2
285.04163	0.3
313.05600	0.2
327.09189	0.2
417.08563	0.6
419.09915	61.9
420.10333	3.0
421.10675	1.4
435.09393	7.8
436.09784	0.2
446.88562	0.2
508.05750	0.2
512.33344	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
60.28786	0.3
65.26577	0.3
69.38636	0.3
69.64863	0.3
69.90378	0.4
73.02940	0.8
97.56088	0.4
99.92584	7.1
112.98592	0.3
114.93410	2.9
116.92863	100.0
116.97257	5.4
117.01940	1.4
117.92868	0.5
334.32175	0.3
335.17297	0.6
341.57172	0.3
673.97363	0.4
733.64435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84636	0.1
59.01387	0.3
60.21851	0.1
61.98840	0.5
71.01384	0.2
73.02945	2.9
75.00874	0.1
84.63966	0.1
87.84356	0.1
99.00879	1.7
99.92582	6.8
114.93429	0.8
116.92866	100.0
116.97189	1.0
117.01937	4.4
117.05578	0.2
117.92888	0.7
120.20078	0.1
160.43237	0.1
240.43312	0.1
335.17618	0.2
365.78442	0.2
452.29834	0.1
455.05234	0.2
582.88013	0.2
584.39899	0.1
601.27881	0.1
690.56415	0.1
770.21722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33168	0.2
58.00598	0.4
59.01368	0.2
61.98833	0.3
69.76419	0.2
118.66464	0.3
138.75281	0.3
149.21912	0.3
209.11937	0.7
210.12184	0.5
212.55516	0.3
342.68243	0.3
357.22400	0.3
389.28656	0.5
406.28622	0.3
423.32922	1.7
469.33310	10.5
469.39786	0.6
487.34451	100.0
488.34753	1.9
595.18127	0.3
792.39996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57613	0.1
55.99326	0.1
59.01389	3.4
59.29022	0.1
70.97298	0.1
71.01387	0.7
73.02934	0.5
76.39052	0.1
80.03551	0.1
80.49129	0.1
83.01436	0.1
87.41790	0.1
91.05571	0.1
93.03477	0.1
95.05017	0.1
101.02463	0.3
106.04288	0.5
108.02208	0.1
121.02965	0.7
123.04513	0.8
131.05034	0.9
132.05832	2.2
133.06609	100.0
134.06918	1.0
147.04556	0.4
148.05328	38.0
149.05650	0.5
161.04594	0.1
163.07672	24.6
164.08102	0.3
173.04602	0.1
191.05692	0.1
203.05666	0.4
337.13004	1.3
367.14163	0.1
528.33667	0.1
658.67871	0.1
689.46649	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98855	7.2
68.85297	6.7
74.74100	5.8
75.77917	6.9
78.95896	72.2
83.11613	6.7
105.35738	6.8
115.92052	8.5
152.99586	49.7
171.10275	9.1
179.89177	9.2
196.89499	12.3
209.11847	72.2
227.12973	10.1
253.21652	8.1
277.21860	100.0
318.37564	7.1
327.21680	14.5
520.06152	7.9
555.25732	16.2
791.45386	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39557	9.2
59.01400	17.1
59.34674	9.4
61.98840	22.7
62.20708	9.6
63.82669	10.3
64.89328	10.0
81.72607	12.3
83.05064	11.7
90.46177	11.4
92.10867	34.8
94.33156	11.2
116.92857	44.5
118.87773	12.4
127.16513	12.4
146.06050	10.8
186.16049	13.2
207.10185	12.9
209.11844	100.0
211.13406	50.9
227.12907	10.9
291.19708	59.6
387.63336	13.0
503.33997	55.2
504.34317	13.5
526.30170	12.7
744.22021	13.8
791.40161	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.4
61.98859	5.8
65.18733	5.3
72.56298	5.8
75.79243	7.2
84.50373	6.8
92.39362	6.1
209.11827	100.0
213.91335	6.2
227.12915	13.2
253.09203	8.3
302.15570	6.5
309.20892	44.6
336.89301	6.3
503.33826	23.5
755.41608	7.0
791.39960	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28767	0.3
59.01389	3.6
61.98830	3.3
66.43304	0.4
70.39099	0.4
70.87346	0.5
71.01369	0.8
71.06113	0.4
71.76839	0.4
73.02958	2.4
75.84237	0.4
82.95436	0.6
84.95155	2.9
89.02467	0.6
93.03467	0.7
96.96006	0.5
99.00830	0.7
99.92594	6.8
101.02468	0.6
106.90480	0.5
114.93320	0.4
116.92868	100.0
117.01962	2.8
117.92848	0.6
121.02948	3.0
124.01657	2.0
135.04532	1.1
135.91202	0.4
137.02464	1.5
145.02919	0.8
163.04008	0.6
165.01979	2.1
165.05556	0.5
173.04500	1.0
180.04370	0.6
191.05666	1.0
195.06638	0.7
201.11414	0.6
209.11835	3.6
259.13358	1.0
303.12531	1.0
327.21643	0.6
503.17657	0.5
589.56525	0.4
791.30768	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	791.279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.1
63.31509	1.1
63.85112	1.2
67.01901	1.5
71.01379	10.6
73.02940	1.7
75.00894	2.0
78.95914	1.7
81.03484	1.8
83.01395	2.2
84.02712	1.2
85.02954	10.4
87.00895	4.9
89.02454	2.5
93.03468	13.9
95.01399	6.5
95.98036	1.2
96.96037	2.5
99.00877	1.7
101.02476	2.6
102.98569	1.5
105.63557	1.2
108.02186	6.2
109.02979	6.3
111.00877	2.8
111.04567	2.2
113.02390	2.3
119.05035	7.4
121.02977	11.6
122.03767	8.0
123.00896	8.0
123.04560	1.9
124.01644	2.5
125.02434	5.1
127.00391	1.4
133.03004	1.7
134.03783	1.8
135.02971	2.1
135.04521	7.5
136.01617	1.3
136.98860	1.4
137.02426	11.3
138.03200	5.8
139.00389	10.8
139.04048	2.4
141.01949	1.5
145.02994	4.5
147.04550	9.3
149.02419	10.7
149.06030	1.3
150.02023	1.7
150.03242	44.0
151.00357	19.3
151.04031	5.2
152.01184	5.7
153.01953	7.7
153.05544	2.7
154.02731	1.5
155.03609	1.4
155.10823	2.6
159.04543	2.9
159.08072	1.3
161.02414	2.2
162.03210	5.8
163.03989	9.9
165.01888	4.8
165.05574	41.6
166.02728	52.8
167.03496	1.7
171.03195	1.2
173.02620	1.4
173.04562	6.4
174.03229	2.2
175.04001	11.9
175.44046	1.2
176.04773	1.4
177.01939	9.5
177.05550	6.6
178.02744	5.4
179.03639	2.0
180.04309	7.0
181.05084	58.2
187.03978	1.7
187.07513	1.9
189.05592	1.5
191.03545	17.4
191.05623	39.7
192.04384	11.5
192.05875	1.8
193.05075	7.0
194.19644	1.4
195.06602	9.9
203.03529	28.1
204.04248	2.6
205.05052	7.2
206.06020	1.5
207.06754	13.9
213.05428	1.4
215.07199	1.5
217.05147	1.7
218.05869	25.6
219.06548	1.7
221.04611	10.4
222.05235	1.8
223.06104	1.6
227.03569	1.7
233.08260	20.0
235.06009	2.3
236.06950	26.0
251.09293	34.3
253.08884	2.0
255.03026	2.0
285.04077	5.1
318.02707	1.3
343.08130	1.7
357.09833	2.9
358.10626	8.2
370.10727	1.9
372.12192	1.8
373.13077	14.9
384.87228	1.6
385.13080	2.8
387.10834	2.2
392.88956	1.3
403.10092	2.1
417.11969	2.2
418.12875	2.4
433.15204	11.6
449.15030	8.8
581.20221	5.4
629.22510	100.0
769.69391	1.3
791.27783	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73721	11.1
59.45034	10.0
61.98840	100.0
70.29415	10.5
78.95904	23.2
108.57363	11.6
152.99588	20.5
162.75134	11.7
167.71370	12.8
179.89288	12.0
222.21866	14.8
361.41895	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	789.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83711	5.5
61.98837	100.0
78.95936	12.0
92.10131	24.0
102.97594	6.4
111.97100	6.4
116.92848	7.3
125.14783	6.1
127.49121	5.2
147.63986	5.4
152.99551	9.8
178.54123	6.4
179.89282	8.6
307.63394	6.9
616.89374	7.6
789.43799	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	791.279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.1
63.31509	1.1
63.85112	1.2
67.01901	1.5
71.01379	10.6
73.02940	1.7
75.00894	2.0
78.95914	1.7
81.03484	1.8
83.01395	2.2
84.02712	1.2
85.02954	10.4
87.00895	4.9
89.02454	2.5
93.03468	13.9
95.01399	6.5
95.98036	1.2
96.96037	2.5
99.00877	1.7
101.02476	2.6
102.98569	1.5
105.63557	1.2
108.02186	6.2
109.02979	6.3
111.00877	2.8
111.04567	2.2
113.02390	2.3
119.05035	7.4
121.02977	11.6
122.03767	8.0
123.00896	8.0
123.04560	1.9
124.01644	2.5
125.02434	5.1
127.00391	1.4
133.03004	1.7
134.03783	1.8
135.02971	2.1
135.04521	7.5
136.01617	1.3
136.98860	1.4
137.02426	11.3
138.03200	5.8
139.00389	10.8
139.04048	2.4
141.01949	1.5
145.02994	4.5
147.04550	9.3
149.02419	10.7
149.06030	1.3
150.02023	1.7
150.03242	44.0
151.00357	19.3
151.04031	5.2
152.01184	5.7
153.01953	7.7
153.05544	2.7
154.02731	1.5
155.03609	1.4
155.10823	2.6
159.04543	2.9
159.08072	1.3
161.02414	2.2
162.03210	5.8
163.03989	9.9
165.01888	4.8
165.05574	41.6
166.02728	52.8
167.03496	1.7
171.03195	1.2
173.02620	1.4
173.04562	6.4
174.03229	2.2
175.04001	11.9
175.44046	1.2
176.04773	1.4
177.01939	9.5
177.05550	6.6
178.02744	5.4
179.03639	2.0
180.04309	7.0
181.05084	58.2
187.03978	1.7
187.07513	1.9
189.05592	1.5
191.03545	17.4
191.05623	39.7
192.04384	11.5
192.05875	1.8
193.05075	7.0
194.19644	1.4
195.06602	9.9
203.03529	28.1
204.04248	2.6
205.05052	7.2
206.06020	1.5
207.06754	13.9
213.05428	1.4
215.07199	1.5
217.05147	1.7
218.05869	25.6
219.06548	1.7
221.04611	10.4
222.05235	1.8
223.06104	1.6
227.03569	1.7
233.08260	20.0
235.06009	2.3
236.06950	26.0
251.09293	34.3
253.08884	2.0
255.03026	2.0
285.04077	5.1
318.02707	1.3
343.08130	1.7
357.09833	2.9
358.10626	8.2
370.10727	1.9
372.12192	1.8
373.13077	14.9
384.87228	1.6
385.13080	2.8
387.10834	2.2
392.88956	1.3
403.10092	2.1
417.11969	2.2
418.12875	2.4
433.15204	11.6
449.15030	8.8
581.20221	5.4
629.22510	100.0
769.69391	1.3
791.27783	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	67.5
61.98837	100.0
71.01379	52.8
84.23231	35.4
98.60385	39.2
104.00125	41.4
125.04594	48.8
128.33636	39.9
132.56062	39.3
134.00755	36.3
162.98264	45.0
207.10263	50.1
209.11984	55.7
257.72824	39.8
389.86890	46.7
753.41644	70.7
789.38416	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.384
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98851	5.6
64.35042	4.7
65.17832	4.7
77.59843	5.7
78.95925	6.0
85.14571	4.9
209.11862	100.0
217.28783	5.5
223.64418	5.4
227.12915	12.9
253.09412	9.7
276.29980	5.5
307.19241	12.2
415.22162	5.5
450.54462	5.7
467.09076	7.0
487.34290	85.8
488.34888	23.1
665.93378	6.6
770.38928	8.1
789.38580	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	46.0
60.99315	9.0
61.36799	7.8
61.98839	16.9
68.00185	9.8
71.01378	75.7
79.65002	9.9
88.98830	18.3
89.02460	9.1
93.03486	10.2
94.67686	7.9
96.24593	8.5
96.96024	10.3
97.22199	7.8
101.02459	8.6
116.34644	9.6
121.02989	37.6
123.04581	9.8
125.09732	10.6
171.10260	76.2
173.04488	10.6
173.89925	9.4
189.10794	9.3
197.11850	21.4
201.11346	48.4
207.10307	16.2
209.11882	100.0
225.11429	15.6
242.69450	9.4
253.09262	16.2
286.23938	11.4
289.18201	77.7
291.19562	14.1
307.18976	17.6
309.20734	46.1
789.38794	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51595	5.6
59.01391	14.6
59.95578	6.6
61.98841	13.9
67.02658	5.8
74.99213	6.0
96.96014	29.2
121.02992	6.8
163.11461	7.4
197.11792	9.0
207.10251	30.7
209.11896	88.7
225.11429	16.7
227.13020	12.3
253.09258	12.0
265.15723	7.8
281.82529	6.9
289.18237	29.7
307.19135	31.2
309.20761	31.7
421.36530	7.7
487.34525	85.9
488.34912	10.6
490.95898	9.1
552.61078	7.9
753.40442	33.1
789.38513	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	789.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	10.3
61.98835	100.0
62.95010	6.2
71.11246	6.4
71.36417	7.9
74.66761	5.7
92.10048	18.6
135.42325	8.8
172.33124	7.3
209.11844	38.7
227.12903	11.9
307.19226	15.1
487.34528	48.6
543.28052	8.9
640.33887	8.1
721.30084	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	789.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22116	0.1
59.01377	0.2
60.10288	0.1
71.01384	16.4
75.00905	0.1
89.02499	0.1
92.10025	0.2
93.03468	0.2
98.12464	0.1
103.91935	0.1
115.00378	8.9
119.05048	0.1
121.02959	100.0
122.03275	0.9
135.03009	0.2
180.64644	0.1
191.05626	0.7
237.04094	14.9
238.04414	0.2
319.53299	0.1
379.77008	0.1
533.17871	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25014	0.4
57.00811	0.4
57.03448	0.5
59.01389	7.5
61.98849	0.7
68.99864	0.5
71.01378	3.5
72.99342	0.4
73.02947	1.0
75.00877	0.5
85.02978	2.0
89.02457	0.8
93.03465	2.9
95.01421	0.5
96.96046	0.9
99.00894	0.6
101.02467	2.3
105.03448	0.5
108.02194	2.4
109.02972	3.6
113.02473	1.0
115.00379	0.6
116.92863	4.1
119.05069	1.5
121.02957	6.5
123.00883	2.6
124.01681	1.7
125.02454	1.9
131.05074	0.5
133.02957	0.9
135.04553	1.8
137.02457	14.0
138.03264	0.7
139.00409	0.8
139.04027	3.4
148.05371	3.3
149.02492	1.6
149.05762	0.6
150.03258	0.8
151.00392	18.4
151.03972	3.2
152.01193	3.9
152.04865	2.1
153.01959	1.7
153.05630	0.8
159.04532	0.8
161.02434	0.6
163.04031	1.6
163.07697	2.6
163.09010	0.4
164.04836	0.6
164.08054	1.0
165.01976	0.7
165.05504	0.6
166.02739	79.3
167.03552	3.9
173.02409	0.5
173.04572	2.7
175.04028	2.9
177.01956	4.3
177.05592	1.1
178.02776	0.5
179.03520	1.8
179.07158	0.6
181.05098	100.0
182.05602	0.7
184.03827	2.0
187.04070	1.9
190.02724	0.6
190.06401	1.9
191.03558	2.4
191.05670	4.3
192.04324	0.9
193.05035	0.8
195.03040	0.6
205.05119	4.6
205.08798	2.0
206.05850	2.3
207.06685	1.6
212.91168	0.5
219.06673	2.6
220.07507	3.1
221.08241	4.7
233.08247	0.6
255.03145	0.5
309.08020	0.6
312.06699	0.7
326.07980	0.7
327.05240	0.5
327.08911	0.6
329.09991	0.6
339.08798	2.1
354.11230	0.7
357.09680	0.8
359.11420	3.0
372.12265	5.4
387.10864	17.1
387.14734	17.3
399.14941	0.6
402.13260	13.2
403.14154	0.7
417.15643	60.4
418.16003	0.8
431.16995	0.8
466.19672	0.5
597.23657	8.4
609.24341	1.0
627.24622	43.2
628.25513	1.6
789.29047	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	789.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
59.01392	23.6
61.98848	8.1
62.65982	1.4
68.39477	1.4
69.03441	1.5
71.01391	14.7
72.99311	3.0
75.00842	1.5
75.46376	1.3
78.95918	3.7
85.02970	6.6
89.02457	9.9
93.03471	10.5
96.96009	100.0
96.96956	3.8
97.06572	1.5
99.00839	1.7
101.02467	6.8
101.60882	1.6
108.02209	1.7
108.79530	1.6
109.36914	1.6
111.04577	1.8
113.02460	2.8
119.05005	3.5
120.88947	1.8
121.02954	29.5
122.03695	1.8
123.00857	1.9
135.04549	9.5
137.02388	12.7
145.02991	2.7
149.02458	2.6
151.04056	18.0
152.01140	2.1
163.04001	37.4
164.04807	14.9
173.04538	3.1
175.04012	2.8
177.01955	3.1
179.03471	2.0
183.37524	1.7
183.71948	1.6
191.05701	15.2
195.02930	5.8
207.02971	10.5
209.11792	2.0
361.12415	1.7
379.73590	1.8
522.21082	7.0
712.27258	1.8
789.29633	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.6
57.03455	0.2
59.01386	7.0
66.62093	0.2
71.01385	7.1
72.99326	0.2
73.02945	1.5
83.01397	1.0
83.30011	0.1
85.02948	2.6
85.03409	0.2
85.30576	0.1
87.00861	0.2
89.02448	2.7
92.10140	0.2
93.03458	0.2
93.67763	0.1
95.01429	0.2
97.02937	0.1
99.00888	0.8
101.02448	6.4
101.03094	0.3
111.00916	0.1
113.02467	2.5
119.03502	0.6
121.02958	100.0
121.05045	3.2
122.03285	0.9
125.02459	0.2
133.02982	0.2
135.04535	9.8
145.68105	0.1
151.39915	0.2
159.03009	0.3
161.04552	2.1
163.04021	1.0
173.04581	0.3
191.05621	0.3
192.29738	0.2
197.34692	0.2
207.10310	0.6
212.01465	0.1
226.06750	0.1
265.09286	3.1
269.10333	4.3
373.21631	0.1
387.12927	9.5
387.16888	2.5
388.13303	0.2
401.14880	3.9
402.15298	0.2
415.62149	0.2
473.64606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00610	0.3
59.01386	17.7
60.49031	0.3
61.98844	1.7
70.73058	0.3
71.01385	8.3
72.99341	0.3
81.03496	0.4
83.01396	0.4
85.02959	2.3
87.00882	0.5
89.02443	7.5
93.03459	1.6
95.01380	1.4
96.96029	0.5
99.00878	0.5
101.02428	5.2
109.02972	0.3
113.02444	3.4
119.03510	1.6
121.02154	0.4
121.02969	9.5
122.03755	1.2
123.04516	1.8
124.01687	4.3
125.02444	0.4
133.02953	0.5
134.03767	0.5
135.04518	5.3
137.02457	5.9
144.53944	0.3
144.55051	0.3
145.02898	0.7
147.04575	0.5
148.01785	0.4
149.02480	3.7
149.99602	0.7
150.03224	0.8
151.04025	23.6
152.04778	1.6
160.01715	0.5
161.02505	0.6
162.03229	1.9
163.04025	58.3
164.04811	21.4
165.29649	0.4
173.04604	0.8
174.03368	0.3
175.04004	2.3
177.01958	6.4
177.05592	0.4
178.02710	3.8
178.06233	0.5
179.03436	0.5
183.26909	0.3
190.02699	0.6
191.05644	0.4
194.05940	0.3
195.01405	0.4
195.03032	10.0
196.03787	2.8
207.03036	14.1
207.05023	0.4
228.02815	0.4
281.11832	2.2
283.13461	3.1
297.15039	0.7
299.16568	3.5
301.10803	0.4
309.11264	0.4
311.16574	0.4
325.14468	0.4
343.15552	2.0
461.17917	0.5
478.21823	0.8
479.22809	0.8
489.17841	1.6
493.17365	0.8
504.20010	2.4
505.20770	0.6
507.19009	2.7
522.21106	8.7
523.21960	1.5
536.18616	0.4
627.20886	0.4
789.29901	100.0
790.30255	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	787.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	10.7
62.40206	3.4
71.01391	4.4
75.00873	5.4
75.81764	4.2
85.02991	8.1
89.02479	4.0
113.02450	7.0
138.93233	4.2
162.47363	4.3
233.87854	4.3
247.09552	4.3
248.65604	4.6
262.06000	5.5
277.21814	61.8
353.64258	5.3
615.18427	4.8
787.50250	100.0
788.49603	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	788.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.8
61.98848	10.5
62.70316	1.5
73.30717	1.5
78.95906	30.6
83.05035	9.1
84.02187	2.7
99.33837	1.7
125.06125	1.6
152.99612	3.9
163.11293	8.3
165.12843	2.4
168.04283	7.9
181.12349	2.1
191.10754	2.1
209.11855	100.0
223.13379	2.0
224.06915	3.4
227.12875	4.1
241.14499	8.0
247.26849	1.8
279.23340	83.6
504.31473	3.3
714.43689	86.1
728.45416	7.2
737.85486	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.2
57.03432	0.1
59.01382	0.5
70.53453	0.1
71.01385	1.9
73.02961	0.1
75.00882	0.4
75.11803	0.1
76.57448	0.1
76.58031	0.1
77.03976	0.1
77.17250	0.1
79.60172	0.1
83.01373	0.1
84.52839	0.1
85.02972	0.4
87.00870	0.4
89.02429	0.5
93.03450	0.6
99.00883	3.2
101.02431	1.1
103.00346	0.1
108.02222	0.1
117.01984	0.1
117.33173	0.1
119.03508	0.3
121.02962	100.0
122.03281	0.8
129.01952	0.3
135.03059	0.1
135.04523	0.3
137.02441	0.5
147.03015	6.3
149.02399	0.1
150.03252	0.1
160.01666	0.1
163.03992	0.1
168.97667	0.1
175.03984	0.1
177.04054	1.0
191.05650	0.6
193.05045	0.1
194.09270	0.1
223.06204	0.1
235.06140	0.1
249.61237	0.1
269.06711	16.5
270.07211	0.1
299.07709	0.8
377.34735	0.1
401.11258	0.1
407.27505	0.1
491.44012	0.1
519.17261	0.3
646.62457	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35711	0.2
57.03456	0.3
57.07374	0.2
57.37366	0.2
58.22232	0.2
58.48597	0.2
59.01384	7.5
66.28950	0.2
66.85043	0.2
71.01382	5.9
72.99309	0.4
73.02949	1.2
74.02497	0.3
75.00873	0.2
75.31039	0.2
76.83518	0.2
79.27182	0.2
81.03483	0.3
83.01395	0.4
85.02947	3.7
87.00877	0.5
89.02446	3.9
92.10746	0.4
93.03455	3.5
99.00874	0.4
101.02437	2.9
108.02175	0.3
109.02976	0.3
111.00932	0.3
111.04542	0.4
113.02456	1.7
115.00408	0.3
115.03944	0.2
119.03490	0.9
119.05036	0.5
121.02958	100.0
122.03319	1.2
122.98531	0.2
131.84375	0.2
134.03835	0.3
135.04532	31.9
135.06659	2.7
137.02463	1.8
147.04565	0.9
153.01981	1.5
159.03149	0.2
161.04588	1.0
161.06015	0.4
163.04024	4.4
163.30779	0.2
165.05527	0.8
173.04572	1.4
175.04042	0.9
175.07668	0.3
179.05655	0.4
187.07564	0.7
189.05577	0.4
191.05632	11.0
192.06070	0.2
193.05063	0.8
194.31262	0.2
207.06725	0.3
208.50819	0.2
223.06145	1.1
241.04976	0.4
243.03009	0.4
245.09290	0.5
259.06042	0.4
279.10794	2.8
283.08295	0.5
285.04147	0.3
297.11984	0.2
385.11130	0.3
385.18741	1.8
399.13016	1.2
401.14609	12.2
415.12534	1.6
613.19830	0.3
787.24194	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98853	54.6
82.61599	52.3
98.68394	54.1
207.10275	88.5
209.11790	94.0
225.11403	70.6
309.29761	58.8
331.24814	67.5
355.34949	63.7
392.07645	65.0
418.87012	63.4
421.36896	65.9
503.49716	62.1
751.39569	100.0
787.39154	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35168	7.0
61.98849	47.9
69.69019	6.7
78.95918	9.5
79.54760	7.5
92.10246	11.1
96.44031	7.6
96.99483	8.2
100.56276	7.2
152.99574	11.3
156.68211	9.1
232.61130	8.0
277.21750	57.4
352.11789	8.3
455.35333	100.0
543.59668	8.1
566.24841	9.8
719.40344	41.1
787.44891	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	787.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30128	18.5
61.98845	63.4
62.24762	14.1
66.02406	14.2
82.62531	16.0
123.24583	16.1
152.99626	25.6
207.73708	16.6
212.91788	17.2
223.09790	27.9
264.46478	16.1
277.21793	72.9
296.95541	16.7
309.73950	18.3
335.67020	18.5
393.61462	17.6
455.35507	100.0
719.40179	37.7
729.87225	20.5
732.29236	18.9
787.45862	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	787.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
57.03446	0.7
57.17126	0.5
57.60431	0.4
58.00615	0.5
59.01387	21.4
71.01385	19.5
71.61201	0.5
72.99303	0.7
73.02947	7.1
75.00875	33.2
79.81587	0.5
83.01411	3.5
85.02951	8.1
87.00902	1.1
89.02457	7.4
93.03471	1.2
95.01382	1.1
97.79312	0.6
99.00880	6.2
101.02443	13.4
113.02454	7.4
117.01963	1.0
121.02959	97.9
122.03259	0.6
123.51356	0.5
125.02435	0.9
135.04536	80.5
143.03508	0.6
147.04602	0.6
149.01259	1.0
149.02460	28.1
151.04004	0.7
152.01199	6.9
159.03004	0.7
161.04572	7.5
162.72139	0.5
163.04013	15.4
164.04808	32.5
165.01906	0.7
167.03490	0.7
169.05081	3.1
171.75169	0.5
177.67876	0.6
179.07153	10.9
191.05682	2.5
193.01445	15.7
193.05055	0.9
208.03819	46.5
223.06158	80.9
233.06754	0.9
269.10458	8.0
385.11481	22.1
396.14465	0.5
401.10889	100.0
401.14801	24.2
514.34082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.7
59.01389	9.5
61.36148	0.4
61.98837	0.7
63.34808	0.4
67.01913	2.1
69.03470	0.5
71.01385	5.2
72.91701	0.4
73.02975	0.6
75.00861	0.7
81.03461	0.5
83.01384	0.5
83.05031	0.5
85.02950	15.1
87.00863	5.2
88.98819	2.2
89.02454	2.9
93.03465	14.4
95.01424	0.5
96.96033	1.0
101.02454	1.1
108.02200	5.0
109.03001	3.7
111.00896	0.9
111.04535	3.0
113.02511	1.9
115.00395	0.6
119.03545	0.7
119.05027	4.7
121.02953	6.2
123.00815	0.7
123.04552	0.9
124.01652	4.8
125.02448	3.6
126.03272	0.5
127.04020	4.1
133.02948	0.8
134.03752	5.5
135.04535	66.3
136.05202	0.4
137.02458	5.5
145.02951	2.3
147.04567	1.9
150.03268	3.7
151.04021	10.3
152.01180	3.0
153.01974	2.7
155.03549	0.6
160.01659	0.8
161.02481	2.7
162.03244	0.6
163.04012	5.3
167.03470	0.6
171.03123	0.6
173.04576	9.3
173.05998	0.7
177.05638	0.6
178.02731	2.5
179.03531	17.6
180.04240	1.0
181.05142	0.9
189.05615	0.6
191.05650	100.0
192.06050	0.7
194.02245	0.6
202.06332	0.5
225.05612	0.7
226.06526	0.7
243.03235	0.6
248.20699	0.5
251.07307	1.8
253.08807	2.3
266.05890	0.4
279.06717	0.6
285.04086	2.9
301.03351	0.5
307.08295	5.8
308.09036	8.5
337.09354	4.0
352.08060	25.2
373.18689	0.6
381.01550	0.5
391.80603	0.5
419.10010	0.8
439.14227	2.0
477.43787	0.5
566.13770	0.5
613.19672	1.1
690.18140	2.0
713.19293	0.5
760.38257	0.6
787.24579	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	787.194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82931	0.3
59.01391	2.3
59.84920	0.3
60.99316	21.4
61.98825	0.8
71.01377	0.5
81.01663	0.3
88.98808	100.0
93.03473	0.7
96.96027	1.9
101.02444	0.7
107.05015	0.4
116.92900	0.5
117.03470	1.7
121.02937	1.9
137.02554	0.4
145.02960	6.0
146.03288	0.6
152.01118	0.8
164.69617	0.4
165.12927	0.6
173.04514	0.5
183.13882	2.5
191.05595	0.7
209.11806	1.7
223.49467	0.4
227.12889	2.3
375.27097	0.4
492.97403	0.4
537.76788	0.4
665.37671	0.6
754.28156	0.5
755.28601	0.8
787.29102	0.6
806.56720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.0
71.01404	0.9
75.00882	0.2
81.03476	0.9
83.26930	0.2
85.02969	1.5
87.00871	0.4
93.03458	1.9
101.79153	0.2
106.21787	0.3
108.02190	100.0
109.02978	15.6
114.39383	0.3
119.05054	1.1
121.02972	5.1
123.00903	0.3
123.04523	1.2
133.02977	1.2
135.00861	0.4
135.04547	2.9
145.03020	0.4
151.04048	1.6
152.01175	58.4
153.01959	15.5
163.04037	2.1
165.01987	0.4
173.04591	1.0
179.03519	0.5
185.06021	0.4
191.05652	12.0
251.07301	0.3
279.06552	0.3
308.09164	0.3
323.05811	0.3
352.08173	0.5
419.09927	70.1
420.10260	1.3
573.56427	0.3
787.25049	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	787.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.07688	1.8
61.91629	2.0
63.05693	2.1
66.90437	2.2
67.32823	2.3
72.03337	2.1
87.82241	2.2
92.65588	2.3
96.96026	2.7
117.00462	5.3
124.64314	2.3
136.94052	4.8
159.00191	2.9
159.01500	69.0
160.01614	5.2
161.01212	4.5
176.00374	2.8
178.95058	10.7
201.02586	64.9
202.02716	12.8
203.02397	4.8
301.02682	45.8
302.02817	10.7
303.02423	18.1
320.95938	4.3
343.03677	10.6
344.03882	3.5
345.03488	3.1
383.02017	2.4
450.58136	2.6
718.39551	3.0
771.82605	2.6
806.20007	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03486	0.7
59.01386	8.8
60.99314	21.7
61.98838	9.0
64.34760	0.7
68.99570	0.7
71.01398	5.4
73.02975	1.1
81.03469	0.8
84.95172	1.7
85.02953	2.9
88.98807	100.0
89.02455	4.1
93.03445	2.8
96.41088	0.8
96.96011	5.6
97.20014	0.7
101.02489	1.2
113.02458	1.6
114.93428	0.8
116.92875	1.2
117.03486	3.7
119.05025	1.9
121.02969	8.1
135.04539	1.1
137.02477	1.8
145.02959	5.5
151.04015	1.7
171.10321	2.0
173.04572	3.5
175.03926	0.8
177.01913	1.6
189.63254	0.8
191.05605	4.0
201.11330	3.3
209.11833	6.9
227.12836	0.9
285.04095	1.7
287.97635	0.9
459.35788	0.9
462.20383	0.8
787.28986	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	786.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50507	0.9
55.79132	0.9
59.01387	10.8
61.98843	2.6
63.20329	1.0
63.29493	1.1
67.02348	0.9
78.95907	17.2
78.96249	1.0
83.05042	1.9
118.81946	1.2
152.99628	1.6
154.42752	1.3
163.11240	1.9
168.04312	4.4
209.11864	28.4
224.06967	1.4
227.12802	1.5
241.14426	1.5
277.21756	100.0
320.43112	1.5
338.62250	1.1
655.65747	1.3
712.42102	71.1
726.44043	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	786.458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82586	2.8
59.01388	17.8
61.98835	22.4
78.95923	21.1
81.03474	2.7
83.05039	3.0
85.99161	2.2
108.97366	2.5
119.71857	2.5
131.68816	2.8
136.34950	2.8
152.99615	3.2
160.62010	2.4
163.11279	5.2
168.04309	3.8
191.10820	4.7
209.11864	100.0
213.23322	3.0
223.13303	3.7
224.07024	5.3
227.12886	9.3
241.14488	9.5
249.84277	2.7
256.22763	2.7
277.21768	57.7
300.02722	2.8
409.81104	2.7
502.29578	3.2
603.35950	3.0
712.30200	3.3
712.42047	85.2
716.73383	3.4
721.46088	2.8
726.44867	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	786.429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75207	0.5
59.01399	1.5
61.31328	0.6
61.98835	100.0
62.36654	0.6
68.21745	0.7
70.61887	0.6
71.01389	0.9
89.02471	0.8
92.10840	1.5
97.64978	0.5
101.02470	0.8
116.92860	9.2
117.92884	1.2
165.12907	3.3
175.72046	0.8
183.13911	24.5
209.11913	1.5
253.09341	0.9
277.21762	36.5
279.23492	0.8
372.35046	0.6
372.39807	0.7
383.64706	0.7
447.66452	0.8
510.53653	0.7
533.61420	0.7
637.41968	0.8
723.43451	54.1
792.35010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59151	0.3
59.01383	2.0
61.98837	100.0
63.99244	0.4
71.01379	1.3
77.80718	0.3
81.15027	0.3
85.02956	0.3
89.02446	0.7
101.02449	1.5
111.08193	0.4
113.02456	0.4
116.92802	1.1
161.04622	0.4
165.12877	3.6
183.13919	46.0
209.11850	4.2
210.12086	1.3
227.12933	2.7
235.08267	0.5
253.09309	2.6
268.56635	0.3
277.21790	16.0
279.23065	0.5
280.23801	0.7
280.55643	0.3
309.51163	0.3
361.65689	0.3
365.45227	0.4
463.21820	0.6
467.34424	0.4
475.34320	0.4
476.62738	0.4
530.34412	0.4
723.43378	47.5
724.43414	0.6
758.61145	0.4
807.67157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66138	0.2
59.01383	0.3
61.98844	100.0
63.72237	0.2
81.50914	0.2
86.93020	0.2
89.70160	0.2
104.87698	0.2
108.44247	0.2
132.71225	0.3
147.95686	0.2
148.53940	0.3
181.12286	0.2
209.11874	2.7
210.12195	1.0
211.12433	0.4
213.26805	0.2
227.12917	1.4
250.86786	0.3
277.21835	4.9
278.22076	2.8
279.22601	1.7
418.41177	0.3
453.20621	0.3
526.35962	0.3
723.43103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
61.98836	100.0
62.29742	0.4
78.93014	0.4
107.77937	0.4
114.31905	0.4
132.71034	0.5
160.94850	0.4
161.04570	0.5
177.55038	0.5
190.30981	0.4
194.84315	0.5
195.10065	0.5
199.13412	2.1
207.10306	0.6
209.11880	12.4
227.12944	5.2
228.12953	0.5
253.09262	0.8
277.21747	9.7
278.22137	0.5
279.23236	0.8
282.54977	0.5
445.20819	1.8
463.22015	0.6
675.51990	0.5
723.43530	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	786.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	8.7
64.35093	0.8
71.01414	1.6
78.95925	1.3
85.02987	1.2
89.02429	1.1
113.02501	1.5
115.68161	1.1
173.32384	1.0
187.61450	1.1
209.11861	59.7
216.75691	1.1
227.12888	9.0
235.08264	6.6
253.09367	8.0
259.64673	1.1
277.21747	100.0
278.22092	2.4
445.20789	1.7
513.30640	5.9
786.50201	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.5
61.98838	100.0
71.01379	1.0
85.02966	0.7
87.00880	0.4
89.02460	2.0
92.10791	0.5
101.02474	1.7
113.02467	0.7
116.92870	1.7
161.04568	0.4
165.12862	2.3
183.13927	45.0
209.11836	3.1
210.12102	0.7
212.25748	0.5
224.15063	0.5
227.12897	1.7
235.08348	0.7
253.09254	0.9
277.21799	15.1
279.23236	0.8
419.22882	0.5
440.25186	0.6
463.22153	0.5
572.27039	0.5
622.23401	0.5
723.43463	46.2
724.43811	0.6
742.61896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83031	0.6
57.43265	0.4
58.42218	0.5
59.01397	3.1
61.98843	7.2
71.01401	1.2
80.02694	0.7
81.03452	1.0
82.30226	0.6
83.05045	3.1
89.02451	1.4
92.10129	2.5
95.36999	0.6
101.02449	1.4
148.40567	0.6
154.18578	0.7
163.11304	1.4
165.12863	1.3
209.11879	100.0
210.12230	1.3
227.12920	15.9
232.33154	0.6
235.08195	0.8
253.09346	6.8
277.21753	56.8
278.22083	1.1
279.22491	0.7
283.26483	2.6
445.20944	7.6
447.52856	0.7
463.21899	0.9
513.30261	0.7
723.42706	0.9
749.28845	0.6
786.42657	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.5
62.82852	0.1
63.54639	0.1
64.21178	0.1
65.26771	0.1
71.01381	15.7
75.00846	0.2
76.14908	0.1
77.03960	0.2
85.02955	0.4
87.00891	0.1
93.03461	0.7
96.95988	0.3
101.02483	0.1
109.02950	0.1
115.00368	9.5
119.05005	0.2
121.02948	100.0
122.03257	0.9
134.03734	0.1
135.04517	0.2
137.02380	0.1
143.60237	0.1
191.05658	1.9
237.04074	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	785.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.7
59.01600	1.0
61.98505	1.2
61.98833	1.5
62.26345	1.3
64.34789	1.3
68.16022	1.4
73.02927	1.5
78.86496	1.1
80.85632	1.4
101.02488	1.9
112.22093	1.4
169.12312	6.3
197.11867	100.0
209.11816	1.9
253.09383	2.7
257.37244	1.4
277.21744	60.5
279.23288	1.7
313.57932	1.5
433.20703	9.6
712.53497	1.6
716.59924	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.6
59.01390	5.5
60.99312	1.9
67.01906	4.6
69.03472	1.1
71.01386	3.7
80.81373	0.4
81.03460	1.0
85.02957	6.9
87.00877	7.2
89.02439	0.9
93.03463	30.3
99.00893	0.6
109.02964	0.6
111.04521	4.7
113.02458	0.7
117.03478	1.1
119.05044	2.0
121.02978	2.4
127.04030	1.0
134.03749	10.9
135.04640	0.6
137.02475	1.2
145.03006	2.2
149.06068	1.0
152.01183	1.2
155.03551	0.9
160.01753	0.6
163.04039	2.3
173.04565	18.9
175.04054	0.6
177.04056	0.6
191.05644	100.0
192.05945	0.8
193.05003	5.7
203.42741	0.6
260.28250	0.5
284.03247	0.7
287.65356	0.6
315.78537	0.6
324.96878	0.5
367.10410	35.6
368.10791	0.7
447.09451	1.1
573.51654	0.6
785.24719	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35392	0.6
57.97078	0.7
59.01401	0.9
61.27421	0.7
61.98844	1.6
80.23586	0.7
94.22258	0.6
115.81908	0.8
116.92844	0.9
121.02956	100.0
165.02055	1.1
181.06543	3.5
197.11952	0.9
209.04593	35.7
225.05615	3.0
249.10736	0.9
254.71898	0.8
274.90771	0.8
297.15326	3.0
307.09259	0.8
313.07208	4.4
327.62567	0.8
357.05930	1.2
362.65634	0.7
401.08853	8.7
487.34476	3.4
488.34799	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82912	0.2
57.03449	0.5
59.01390	1.3
60.99320	0.9
67.01897	4.2
69.03465	1.0
71.01379	2.1
73.02969	0.3
81.03459	0.5
83.05048	1.1
85.02958	5.1
87.00879	6.6
87.01372	0.3
93.03458	28.9
94.29530	0.2
99.00853	0.3
99.04549	0.8
109.02934	0.5
111.04527	4.6
113.02470	0.4
119.05032	9.9
121.02939	0.9
125.87521	0.2
127.04026	1.0
129.01945	1.3
135.04549	0.3
137.02461	0.9
139.43813	0.2
143.03519	0.4
145.03003	1.6
155.03510	1.7
155.30212	0.2
163.04025	10.7
169.90297	0.2
171.03015	0.4
173.04561	22.9
191.05640	100.0
192.05998	0.4
206.84543	0.2
235.52583	0.2
250.26404	0.2
325.11505	0.3
327.08969	0.3
337.09366	31.7
577.11243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24306	0.1
59.01382	0.2
61.98843	100.0
78.77332	0.1
86.87785	0.1
108.89677	0.1
113.73234	0.1
114.93406	0.2
116.92870	1.2
160.41728	0.1
186.39331	0.1
208.10605	0.3
238.26685	0.2
261.65292	0.2
277.21765	0.8
278.22064	0.4
279.22552	0.2
455.35300	0.2
538.51025	0.2
724.43994	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08464	0.2
56.06025	0.2
59.01392	0.4
61.98840	100.0
62.26999	0.2
65.24641	0.2
86.79343	0.2
91.86738	0.3
163.11406	0.3
207.10347	0.4
208.10567	0.3
209.11923	3.1
210.12184	1.2
225.11275	0.3
226.11736	0.9
227.12921	0.3
253.09286	0.4
261.97882	0.2
277.21814	2.8
278.22012	1.7
440.11804	0.2
724.43011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78765	0.1
59.01377	0.2
60.69831	0.1
61.98837	100.0
71.06622	0.1
96.62862	0.1
117.13373	0.1
121.03046	0.1
145.02991	0.2
207.10266	0.2
208.10570	0.1
226.11664	0.2
227.12947	0.3
277.21783	0.8
278.22064	0.6
372.44537	0.2
436.52350	0.1
486.63211	0.1
724.43231	0.2
786.23267	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	783.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.6
61.20770	0.3
64.31913	0.3
71.01375	2.9
73.02975	0.5
77.51517	0.3
80.02677	0.5
81.03455	0.5
83.01394	0.5
83.05035	4.0
85.02987	0.7
87.00902	0.6
89.02445	2.6
91.14870	0.3
101.02435	3.5
113.02474	1.6
119.03524	0.5
145.05174	0.3
161.04550	1.2
163.11331	2.5
165.12894	2.0
179.05603	0.3
209.11867	65.4
216.66510	0.3
225.52792	0.3
227.12910	7.8
235.08231	4.4
253.09317	6.9
275.20383	0.3
277.21759	100.0
278.22092	1.2
287.95291	0.4
328.76379	0.3
513.31097	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16699	0.5
59.01396	3.9
62.55101	0.5
71.01398	3.3
77.28625	0.6
78.95930	0.8
79.55608	0.5
80.02737	0.5
81.21001	0.5
83.05031	5.3
84.02177	0.7
85.02969	0.6
89.02467	1.5
92.10786	2.1
96.62337	0.6
101.02470	2.6
103.93888	0.6
109.06598	0.6
110.22241	0.6
113.02453	1.0
119.17876	0.8
143.60725	0.7
145.03004	0.8
163.11336	4.6
165.12866	3.6
191.10831	1.4
199.13451	0.8
209.11867	100.0
210.12192	0.8
225.00740	0.7
227.12927	14.4
235.08284	0.9
253.09314	7.4
277.21753	62.5
278.22119	1.1
365.30368	0.7
444.79617	0.7
445.20825	1.2
528.47852	0.7
783.42017	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	783.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
55.24686	0.5
56.75565	0.5
57.03466	0.6
59.01386	13.5
59.77787	0.5
60.50698	0.5
61.44830	0.4
61.98832	1.3
69.03455	1.3
71.01383	17.3
72.99313	0.9
73.02946	4.7
75.00864	0.7
81.03458	0.5
83.01400	1.0
85.02949	5.7
87.00878	1.3
89.02434	10.1
91.39400	0.6
92.10739	1.2
93.03477	3.7
95.01392	0.9
96.96011	2.1
97.02956	2.9
99.00889	5.0
101.02444	9.0
109.02975	1.0
113.02458	9.8
115.04035	0.9
116.92831	0.8
119.03499	3.2
119.05044	2.3
121.02956	100.0
122.03296	0.6
125.02451	17.4
131.03568	0.6
135.04532	48.8
137.02423	2.0
143.03499	1.1
145.02901	1.0
146.77097	0.6
147.04454	0.7
148.05322	15.4
149.04535	0.7
155.03622	0.6
161.02463	0.5
161.04562	4.8
161.17267	0.5
163.03987	5.9
163.07677	5.0
165.05540	0.6
172.76088	0.5
173.04547	4.3
175.04037	0.5
179.05600	3.4
191.05608	3.2
209.11827	1.1
223.06058	0.7
260.55289	0.5
283.08282	3.1
293.08893	0.7
295.08411	1.3
313.59814	0.6
335.09921	4.3
359.09866	1.1
377.11044	1.9
419.11993	0.7
437.13083	23.3
457.13434	3.0
559.16840	8.6
601.21454	15.5
723.24976	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.7
59.01392	3.6
60.99327	0.7
64.38134	0.2
67.01905	3.6
68.01018	0.3
69.03484	1.1
71.01387	3.2
72.99326	0.4
73.02972	0.7
75.00890	4.6
81.03472	0.7
83.05040	0.7
85.02969	5.5
87.00891	5.5
89.02433	2.3
93.03466	23.7
96.95989	0.3
99.04526	0.3
101.02473	0.7
105.03448	0.5
105.31625	0.3
109.02946	1.0
111.04517	3.8
113.02465	1.5
117.03442	0.3
119.03589	0.5
119.05023	10.6
121.02933	3.0
127.04035	1.3
127.07760	0.3
129.01959	1.2
133.02960	4.4
135.03009	11.7
135.04543	1.8
137.02452	2.8
145.02986	1.7
155.03540	0.7
163.04024	9.2
171.02960	0.4
172.09732	0.3
173.04568	14.8
177.01912	1.2
191.05638	100.0
192.06009	0.6
215.05759	0.3
237.09322	0.3
263.46860	0.3
309.08206	0.4
327.08856	2.1
337.09357	27.0
351.07346	1.2
353.08752	0.3
431.12036	1.3
538.83472	0.3
575.26459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50236	1.9
59.01389	88.7
61.98842	2.0
68.99822	5.2
70.15024	1.9
90.84536	2.2
96.99322	13.9
99.92580	3.0
106.76899	2.2
114.38850	2.4
116.92861	53.1
117.38006	2.7
120.14367	2.1
141.60928	3.0
209.11833	8.7
227.12984	3.0
277.21683	12.7
438.13629	3.5
481.15341	41.0
495.16876	13.5
540.16565	4.3
555.18939	22.3
572.15479	28.4
573.15649	3.2
586.16675	3.9
641.23059	33.2
701.24835	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	783.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28456	0.1
57.03452	0.5
59.01389	2.0
59.44061	0.1
60.99319	1.4
64.35974	0.1
65.03969	0.2
67.01893	4.4
67.02226	0.2
69.03462	1.1
71.01382	1.9
73.02945	0.2
75.82627	0.1
81.03452	1.1
82.20093	0.1
83.05026	1.0
85.02950	5.2
86.51281	0.1
87.00877	7.5
93.03456	28.6
94.77020	0.1
99.00903	0.5
99.04523	0.8
101.02421	0.2
104.79382	0.2
109.02953	0.9
111.04528	5.1
113.02472	0.7
115.04014	0.5
117.03449	1.2
117.05562	0.2
119.05054	0.3
121.02932	0.7
127.04009	1.5
129.01956	1.0
134.03748	12.0
135.55547	0.1
137.02448	0.2
143.03552	0.2
149.06113	1.0
155.03465	1.0
160.01709	0.6
163.04022	0.3
171.02968	0.3
173.04562	10.0
175.04010	0.6
178.02669	0.3
178.46234	0.2
191.05638	100.0
192.05951	0.9
193.03307	0.2
193.05072	6.6
212.26781	0.1
257.31857	0.1
257.35370	0.1
261.78555	0.2
367.10413	29.7
368.10971	0.2
417.08954	0.1
466.46750	0.1
512.07092	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	781.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.2
70.51208	0.5
71.01397	4.1
71.05017	0.6
71.24650	0.6
76.57882	0.7
78.27535	0.7
78.95877	2.0
80.96498	0.7
85.02940	0.8
85.28145	0.4
87.00873	0.6
89.02439	2.3
97.02958	6.3
99.00883	10.4
101.02457	2.6
104.02054	0.5
109.06573	1.0
110.03761	1.5
113.02450	2.6
119.03500	0.7
125.09712	3.7
135.08142	1.1
136.82922	0.6
142.02718	2.3
145.02963	0.9
163.11278	12.6
167.41577	0.7
179.10664	0.7
181.12363	22.0
189.09389	0.8
197.11830	0.9
199.13457	1.3
207.10300	66.3
209.11827	2.4
225.11362	100.0
226.11586	1.4
226.64938	0.6
227.18842	0.8
235.08090	0.9
243.12396	12.8
253.09297	3.3
255.23239	1.2
277.21756	78.7
299.15054	0.9
324.98950	0.6
443.19180	4.4
461.20401	40.0
501.45810	0.6
721.41711	28.9
781.41370	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	782.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.6
61.98836	100.0
93.52378	0.5
118.47774	0.5
155.71924	0.5
293.16928	0.6
375.80777	0.5
772.55743	0.5
773.08374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.1
58.00597	0.1
59.01105	0.2
59.01385	3.4
59.46132	0.1
62.91877	0.1
65.96309	0.1
71.01379	2.0
71.80483	0.1
72.99314	3.3
73.02926	0.2
75.00876	34.2
85.02966	0.9
85.64248	0.1
87.00905	0.8
89.02454	6.5
93.03484	1.8
96.96033	0.1
99.00900	0.1
108.02213	0.1
109.02965	0.1
113.02450	0.1
115.00385	0.2
117.01941	2.9
119.05038	13.5
121.02966	2.0
125.73060	0.1
127.04042	0.2
131.05006	0.1
132.05861	0.2
135.03014	100.0
136.03409	0.1
136.38953	0.1
137.02516	0.2
142.19637	0.1
143.05023	0.2
145.02989	0.2
145.06612	0.4
147.04472	0.1
163.04028	10.4
173.04445	0.1
179.14735	0.1
191.05650	10.8
192.05933	0.1
211.07780	0.6
221.09808	0.2
237.09309	1.5
239.10815	0.2
265.08774	0.5
283.09799	3.2
283.12659	0.2
327.08795	7.8
337.09311	1.5
445.11441	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
59.01388	24.8
61.98864	1.1
71.01372	4.6
73.02962	0.7
73.43153	0.6
78.95934	3.3
79.13637	0.6
80.02686	2.6
81.03494	2.6
83.01413	0.8
83.05061	3.1
85.02977	3.4
87.00907	0.7
88.90822	0.7
89.02486	3.9
97.02953	6.8
99.00922	1.6
101.02466	4.9
105.02771	0.6
106.04377	0.6
109.06606	39.3
110.03755	1.5
113.02392	2.1
116.92882	0.8
121.06630	3.2
123.04500	0.6
133.81557	0.7
135.08153	6.2
136.05304	1.5
137.11470	0.6
139.63174	0.7
142.02710	2.7
145.03011	1.0
147.08223	0.6
161.09732	3.6
163.11296	23.0
179.05653	0.7
181.12407	5.6
189.09268	3.1
207.10298	100.0
209.11899	4.2
225.11354	40.5
241.01169	0.9
253.09325	12.5
255.23389	1.2
277.21762	70.6
299.15091	0.9
441.33960	1.2
443.19196	6.6
461.20291	11.9
513.30835	1.0
612.15729	0.7
673.55786	0.8
703.40503	0.8
721.41754	33.7
781.41187	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	781.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.6
59.90851	0.5
68.99588	0.5
70.68684	0.5
71.01383	4.1
73.02946	2.0
78.95919	2.4
81.03463	0.8
82.70882	0.5
83.05039	0.9
85.02961	1.2
87.00896	0.7
89.02459	2.5
97.02937	4.1
101.02454	4.7
109.06594	16.4
113.02472	2.9
116.92852	3.4
119.03439	0.6
135.08179	2.1
136.05273	0.6
138.26961	0.5
142.02736	1.0
145.05063	0.6
148.29597	0.5
152.99576	0.6
161.04553	1.8
161.09737	1.0
163.11281	11.8
165.12914	0.7
167.29938	0.5
181.12334	2.9
183.13965	5.2
189.09212	1.0
207.10295	55.8
209.11836	2.3
223.13161	1.1
225.11343	17.6
235.08192	4.5
241.01167	0.6
249.11183	3.2
253.09326	7.8
255.23358	1.1
267.11954	0.6
277.21762	100.0
278.21967	0.8
443.19470	1.2
461.20319	3.5
703.40863	2.1
721.41833	28.5
723.42877	1.9
781.40466	2.3
789.27502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.8
57.03466	0.5
58.39505	0.4
59.01391	13.1
60.57763	0.4
60.58063	0.4
62.70980	0.4
69.03476	0.6
71.01398	2.7
71.05031	0.5
73.02935	0.6
78.14198	0.5
78.95908	1.2
81.03475	0.5
85.02972	0.7
87.00865	0.7
88.56829	0.5
89.02447	1.9
97.02931	3.4
97.06561	0.8
99.00883	5.0
101.02449	3.3
109.06624	1.2
110.03733	0.4
113.02419	0.8
125.09726	3.3
128.94087	0.5
135.08247	0.6
142.02707	0.9
149.90901	0.6
153.42203	0.4
163.11292	6.2
181.12355	11.5
206.39520	0.5
207.10298	36.5
209.11867	3.0
225.11353	48.8
233.22809	0.5
235.08223	2.7
243.12364	4.4
253.09320	2.4
255.23241	1.0
277.21744	100.0
278.22098	1.1
316.47873	0.5
349.86337	0.5
405.17545	0.9
438.63449	0.5
443.19217	4.8
461.20386	6.2
591.58130	0.5
721.41687	24.4
781.41351	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	781.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05556	0.1
59.01388	6.7
67.77203	0.1
89.03961	0.5
98.06315	0.1
114.40224	0.1
116.92812	0.1
117.03473	52.4
118.03792	0.2
119.05064	0.4
121.02906	0.1
138.90268	0.1
145.02972	100.0
146.03304	0.5
162.03160	0.1
163.04025	0.2
198.91144	0.1
220.14867	0.1
221.15567	0.2
385.20599	0.1
397.71906	0.1
503.34018	0.6
503.64673	0.1
504.34921	0.1
551.16229	0.1
621.23651	0.1
679.18982	0.4
721.20270	0.9
739.21729	0.5
761.89355	0.1
781.22198	2.6
783.35016	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	781.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55710	0.7
59.04052	0.9
63.48501	0.7
63.87759	0.8
76.74245	0.9
78.95904	59.5
80.02682	1.0
81.03506	1.4
83.05010	6.4
84.79156	1.1
89.76760	0.9
92.10050	2.3
96.96954	14.8
105.25591	0.9
109.06600	1.6
116.92840	1.5
125.06071	1.0
130.80038	0.9
137.75493	0.9
145.91003	0.9
152.99590	17.8
158.14026	1.0
163.11295	8.4
165.12846	1.5
191.10699	1.4
207.10316	4.1
209.11876	79.3
223.00157	5.4
225.11433	1.1
227.12939	4.2
241.01208	32.5
241.03484	1.6
255.23341	51.9
259.02216	1.9
277.21838	1.7
315.04965	1.4
363.12338	1.5
462.00259	1.2
553.27716	1.6
723.41437	1.3
781.41602	100.0
782.42120	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	779.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54252	2.8
56.02833	2.8
59.01391	85.5
61.98851	12.5
65.27110	3.2
70.72989	3.0
75.00881	8.2
90.60603	3.4
92.02349	3.3
92.67270	4.4
103.00378	100.0
103.04009	5.0
140.44151	3.4
151.20805	3.1
201.91884	3.9
233.53862	3.4
270.56567	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	779.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36601	1.0
54.83029	1.0
57.27324	0.9
59.01387	19.9
70.03765	1.1
71.01385	2.7
71.04213	1.1
75.96675	0.9
89.02452	1.4
101.02441	2.1
104.24226	1.0
116.92866	2.6
167.10664	1.2
191.55302	1.2
195.13939	5.3
205.12337	6.6
223.13426	47.1
235.08244	4.0
253.09258	6.8
277.21768	100.0
323.25760	1.1
383.44363	1.4
441.21494	1.6
451.51743	1.1
719.43433	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55326	0.2
78.95904	43.4
79.95745	0.3
90.93711	0.3
92.10226	0.3
96.96021	50.6
96.96973	100.0
130.05580	0.3
141.35352	0.2
264.29446	0.3
439.08606	26.3
454.29401	0.3
488.64014	0.3
489.16550	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	1.0
59.01394	4.9
60.99324	2.0
67.01904	8.4
69.03466	4.6
71.01378	12.8
72.23538	0.7
72.99327	3.9
75.00882	10.8
81.03476	1.7
83.05065	1.1
85.02952	10.6
85.10689	0.7
87.00880	16.2
93.03459	100.0
96.96015	0.9
96.99309	3.4
97.02962	6.3
99.00894	1.7
101.02438	1.2
108.02188	47.4
109.02371	1.5
109.03083	7.0
111.00883	1.9
111.04515	11.5
113.02455	0.9
113.62911	0.7
115.00393	6.1
115.04063	1.1
119.05039	14.0
121.02960	20.7
123.04517	1.8
127.04023	3.4
129.01935	3.2
131.05017	3.8
133.02975	4.9
134.06071	0.8
135.04530	1.6
137.02452	16.8
137.09737	4.5
143.05043	21.6
145.02969	4.0
151.95244	0.9
152.01164	28.7
153.01981	6.8
155.03493	12.3
155.10793	50.7
159.03020	3.3
163.04024	10.2
170.17029	0.9
171.04549	2.0
173.04565	61.2
177.04076	5.2
191.05644	75.0
199.09787	20.0
210.06885	1.8
211.07700	39.6
219.08131	0.9
221.09821	0.9
223.07666	0.9
235.07651	5.2
237.09210	10.1
265.08746	24.1
271.04684	1.6
285.03949	0.9
295.08054	1.6
309.07761	5.2
310.75946	0.9
327.08810	49.7
359.13577	54.2
419.09958	19.1
420.10544	5.7
421.10492	6.5
445.09723	1.7
483.12842	14.0
501.14200	6.1
572.42285	1.1
605.16864	3.1
630.85907	1.0
657.18353	39.7
658.18713	1.2
779.22089	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	8.2
61.80750	0.6
61.98838	100.0
71.01401	3.2
75.00879	0.8
80.91672	7.6
85.02972	0.9
87.00904	1.1
88.98823	3.1
93.03483	4.0
96.96019	1.4
101.02456	1.3
117.03460	11.5
119.05087	1.4
121.02981	1.7
135.04559	1.2
137.02481	1.3
145.02977	31.4
150.36555	0.8
158.29733	0.8
171.10353	3.8
173.04539	1.8
191.05664	1.6
209.11893	5.3
225.11351	1.2
331.24823	0.8
410.09235	0.8
544.45160	1.0
550.20642	0.7
657.18341	0.8
697.20013	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.9
58.82803	0.4
59.01400	4.1
60.99336	1.8
67.01913	6.6
69.03475	1.8
71.01398	4.6
76.58366	0.6
81.03478	1.8
83.05075	0.9
85.02967	9.5
87.00891	10.3
89.02469	0.9
93.03466	60.3
96.96048	2.4
98.95633	2.1
99.00882	0.7
101.02495	0.8
108.02190	0.5
109.02979	2.4
111.00945	0.5
111.04540	8.1
113.02486	0.6
117.03509	2.8
119.05040	20.2
121.02961	13.4
122.03752	2.9
127.04032	2.9
129.01959	1.2
131.05072	0.5
135.03006	0.5
135.04573	1.1
137.02460	11.6
142.02820	0.5
143.05034	0.9
145.02985	12.1
153.01971	0.7
155.03516	5.1
163.04031	14.3
166.34953	0.5
173.03081	1.1
173.04570	30.7
191.05652	100.0
193.04953	0.5
211.07668	2.5
223.07649	4.4
237.09172	5.1
239.10791	0.7
265.08740	2.0
283.09753	5.3
287.05188	0.5
295.08124	0.6
301.03409	0.5
319.08304	5.7
327.08771	15.0
337.09430	1.9
358.34195	0.5
433.11249	0.7
476.63785	0.5
483.13187	0.9
501.14096	6.1
654.05646	0.7
657.18372	20.9
779.22064	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	779.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.6
59.01387	5.3
60.99327	1.7
65.03993	0.6
67.01894	5.7
67.02161	0.3
69.03477	2.1
71.01391	7.2
72.99317	0.4
75.00906	0.5
81.03481	1.6
83.05063	2.5
85.02962	16.1
85.03471	0.7
87.00879	9.9
87.01366	0.5
89.02460	0.5
91.24627	0.3
93.03460	49.8
96.96035	0.9
99.00891	1.6
99.04572	0.5
101.02481	0.6
104.59915	0.4
109.02978	2.7
111.00941	0.8
111.04533	8.1
113.02468	0.6
115.00383	0.9
117.03484	0.4
119.05021	4.8
121.02963	15.7
123.04536	0.4
127.04026	4.9
129.01952	0.8
131.05011	1.5
133.02975	0.5
135.04535	0.5
137.02463	9.9
143.05061	5.2
145.02980	2.5
149.06224	0.4
153.02028	0.5
155.03532	6.6
155.10751	0.5
158.17726	0.3
161.02451	0.4
163.04013	2.8
171.03088	0.9
171.04518	0.6
173.04568	47.6
174.04942	0.3
191.05644	100.0
191.24448	0.4
192.05920	1.5
210.06961	2.9
211.07690	59.1
212.08025	1.4
223.07671	0.4
235.07684	1.5
237.09230	2.1
265.08743	7.9
285.04135	0.8
295.08383	3.4
309.07773	2.4
327.08829	5.0
381.04330	0.4
430.53497	0.5
445.10062	0.7
483.12961	3.0
493.42920	0.5
527.71350	0.4
632.41144	0.4
657.18359	21.9
779.22046	33.3
780.22211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.2
59.01383	7.5
63.24341	0.9
67.01907	8.6
69.03469	6.1
71.01382	12.6
72.99328	2.2
75.00868	10.2
75.26269	0.8
81.03455	1.5
83.05039	4.2
85.02962	13.9
87.00878	13.7
89.02456	1.4
93.03460	100.0
95.01373	1.2
96.96001	1.1
96.99322	6.0
97.02950	4.5
99.00875	1.7
108.02184	36.1
109.02991	9.8
111.00882	1.9
111.04536	13.1
115.00362	5.8
118.64160	0.9
119.05027	14.2
121.02961	17.9
123.04504	4.4
129.01906	2.1
130.04344	1.0
131.05040	4.7
133.02959	5.1
135.04559	1.5
137.02444	18.7
137.09726	2.2
141.01901	1.2
143.05037	26.5
145.02968	4.6
145.06541	1.3
152.01178	19.1
153.01915	6.8
155.03560	13.8
155.10800	36.7
159.03081	1.7
163.03973	8.1
171.04503	4.6
173.03073	2.2
173.04576	63.9
177.04085	1.2
191.05644	68.2
192.05956	1.2
199.09792	15.3
210.06911	2.2
211.07690	49.3
219.08034	2.1
221.09755	1.1
223.07797	1.8
235.07655	6.2
237.09258	8.7
253.08733	1.1
263.36801	1.3
265.08725	31.1
271.04584	1.3
295.08295	6.1
309.07687	6.8
327.08795	50.5
359.09052	2.2
359.13525	47.1
419.09985	18.0
420.10416	2.1
421.10672	1.4
483.13016	20.2
484.73334	1.1
501.13943	4.7
523.47827	1.2
605.16455	4.6
610.81104	1.0
657.18292	31.4
779.21985	40.8
780.22968	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.6
71.01388	5.2
75.53457	2.8
92.10124	8.7
101.02457	4.2
117.03419	5.7
119.05042	14.1
121.02976	21.1
127.66985	3.2
145.02937	41.8
151.93193	3.6
169.66820	3.0
174.62341	3.1
195.13957	3.3
201.11391	35.2
202.94373	3.6
209.11882	80.9
210.12213	7.0
227.12967	6.3
235.08342	4.7
268.86371	3.9
277.21735	100.0
278.22067	5.1
283.56161	3.4
397.13306	5.1
497.32916	3.9
513.30731	12.8
617.38452	17.6
618.39215	17.6
777.42474	23.4
791.39160	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	777.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.5
60.37721	0.3
66.52763	0.3
67.01872	0.3
69.03452	0.4
71.01397	1.5
73.02969	0.4
83.01369	0.6
85.02950	8.8
87.00890	1.8
89.02456	0.8
92.61054	0.3
92.66386	0.4
93.03461	5.8
94.11915	0.3
96.96033	0.4
99.00881	0.4
99.04552	0.4
101.02470	1.4
109.02969	1.4
111.04520	1.3
113.02454	0.6
119.05016	6.6
121.02948	2.6
123.27692	0.3
125.02436	0.4
127.04034	1.8
134.03732	1.4
135.00888	0.5
135.04488	1.3
137.02429	1.3
139.04059	0.4
143.05002	0.4
145.02980	1.8
149.02463	0.5
150.03256	3.1
150.12390	0.3
151.00424	0.4
152.01144	0.5
155.03558	0.6
155.10835	1.3
160.01683	1.7
163.03979	4.3
163.97798	0.4
165.01915	1.5
165.05554	3.4
167.03433	0.5
171.02895	0.6
172.05283	1.4
173.04576	2.5
175.03960	3.3
180.04295	1.8
183.04463	0.6
187.04066	0.5
187.07664	11.6
191.05638	100.0
192.06013	0.8
193.05064	0.4
195.06651	3.7
199.04010	0.8
199.09732	0.4
211.07706	3.8
213.09229	0.6
215.07220	2.5
223.07651	0.5
227.03526	1.7
228.04335	1.1
229.08662	0.4
231.10252	0.5
237.09402	0.7
257.08224	12.9
257.10904	0.5
270.21744	0.4
275.09323	0.6
283.09750	1.9
285.03992	0.4
327.08771	6.1
337.09113	0.8
342.43054	0.3
439.16815	0.5
449.14603	7.8
525.21051	0.4
537.21906	0.4
555.22107	0.4
645.41541	0.4
730.47467	0.3
777.25824	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.5
64.77744	0.2
64.94842	0.2
70.96119	0.2
71.01389	17.3
71.56199	0.2
72.38854	0.2
82.71302	0.3
85.02958	0.4
93.03450	0.4
95.37860	0.3
115.00385	7.7
119.04975	0.2
121.02965	100.0
122.03338	0.5
137.02481	0.4
163.04015	0.4
171.88185	0.2
191.05617	1.9
204.62512	0.3
237.04076	10.6
353.64566	0.3
357.24576	0.3
589.45831	0.3
625.23413	0.3
798.52393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	13.4
60.05024	0.3
61.98838	12.2
62.69248	0.2
71.01389	0.6
71.39243	0.3
71.56613	0.3
82.95450	0.3
93.03464	0.5
105.03522	0.4
108.02193	0.3
113.02467	0.6
117.03480	1.2
121.02968	1.1
123.04533	0.4
132.02222	2.1
133.02969	40.6
135.04541	0.3
137.02454	0.3
161.02466	100.0
162.02812	0.5
163.38449	0.3
173.04546	0.7
191.05746	0.5
209.11879	0.5
327.21808	0.3
433.01755	0.3
505.07721	0.3
509.14914	0.7
570.46490	0.3
653.17603	0.4
713.19409	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	777.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
63.69429	0.3
71.01385	0.7
81.03477	0.7
85.02950	0.7
93.03458	1.9
96.96035	0.3
108.02184	100.0
109.02983	17.6
119.05042	0.5
121.02972	6.6
123.00856	0.4
123.04505	0.6
123.20631	0.4
133.02930	1.7
135.04524	1.7
135.80051	0.4
137.02489	0.3
145.03040	0.6
147.04532	1.4
151.04041	1.7
152.01169	60.3
153.01953	18.9
159.04497	0.8
159.23880	0.3
163.03989	1.9
164.94016	0.3
165.01871	0.6
175.04170	0.4
191.05681	4.1
213.40971	0.4
333.61407	0.4
405.86343	0.4
419.09918	71.7
420.10205	3.1
421.10635	1.3
608.04590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
116.68211	1.7
157.01250	1.6
216.01056	1.6
282.63995	1.5
529.17664	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	775.5338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
60.17656	1.0
61.98839	100.0
76.58081	1.0
92.10071	2.2
152.29477	1.0
159.47197	1.0
162.20226	1.1
176.29231	1.0
212.37589	1.1
238.61714	1.2
350.18387	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.6
61.98837	14.2
68.06081	0.2
69.41415	0.2
71.01392	0.8
73.02989	0.2
78.95860	0.2
85.02950	0.3
87.00886	0.4
89.02473	0.2
92.10119	0.2
92.84879	0.2
93.03453	0.4
97.02937	0.3
101.02470	0.3
105.03466	1.1
108.02200	0.9
109.03012	0.2
113.02465	0.3
115.01942	0.4
116.92888	0.4
117.03472	0.4
121.02947	0.4
123.04559	0.4
125.02434	0.4
126.89551	0.2
132.02168	2.6
133.02966	42.3
135.04512	1.6
137.02493	0.4
153.01923	0.2
161.02467	100.0
162.02853	0.8
173.04530	0.5
179.03543	0.9
189.37776	0.2
191.05708	0.3
208.16318	0.2
209.11862	0.8
215.25394	0.2
305.68942	0.3
365.11133	0.3
449.13043	0.3
653.17773	1.0
671.18488	0.5
713.19562	9.6
770.80762	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82539	2.0
56.14473	1.7
59.01392	2.6
61.98838	3.5
64.34447	2.1
69.03502	2.7
71.01399	4.7
74.00278	2.0
91.50487	2.2
92.09983	2.6
92.20531	2.0
97.02952	2.2
99.00916	3.6
101.02462	4.5
104.51191	2.4
109.06605	2.8
113.82646	2.1
125.09726	3.0
131.15318	2.2
163.11324	3.2
171.10313	4.8
179.10880	3.7
181.12268	3.3
197.11876	21.7
199.09834	9.2
207.10243	20.4
223.09914	2.4
225.11378	36.5
253.09200	5.2
277.21799	100.0
390.26602	2.4
443.19131	4.9
461.20248	9.0
695.40308	19.9
721.41962	28.3
737.41547	28.6
739.42206	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	775.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33177	0.3
59.01387	4.3
59.76747	0.3
71.01382	3.8
73.02962	0.5
85.02960	0.9
87.00853	0.6
89.02412	2.6
92.10822	0.8
93.03461	4.2
94.52486	0.4
96.95999	0.4
101.02457	1.9
108.02196	0.8
109.02953	1.9
113.02479	0.9
119.03503	0.7
121.02952	4.8
121.89214	0.3
122.03760	12.1
123.00861	0.9
123.04603	0.7
125.02424	0.4
133.02946	1.7
134.03735	0.4
135.04538	0.9
136.01657	1.7
137.02435	5.0
138.45505	0.3
139.04051	0.5
145.02950	0.8
149.02466	15.6
150.03241	100.0
151.00371	5.7
151.03932	0.7
152.01178	0.5
152.04823	0.8
161.02437	0.6
162.03270	0.7
164.04781	3.8
165.05583	95.0
166.02730	22.2
167.03448	0.8
173.04529	0.4
175.04059	1.7
177.01933	1.5
177.05603	0.7
179.03580	0.6
179.05446	0.4
180.04292	7.5
181.05086	22.3
187.04112	0.5
190.02649	0.4
190.06268	0.6
191.03682	0.7
191.05667	2.1
195.06648	46.7
205.05095	2.1
207.06584	0.5
219.06546	0.5
220.07439	0.8
221.08240	0.6
223.06091	0.5
225.14847	0.5
329.10059	0.4
339.08759	0.5
359.11649	0.8
372.12241	1.6
387.09979	3.1
387.15295	5.2
387.19937	0.7
402.13467	2.1
417.15616	20.7
417.20895	0.8
565.20752	3.7
583.22595	0.5
613.23077	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	775.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49524	1.9
59.01386	11.3
61.98829	2.4
65.03039	1.6
68.99593	1.7
71.01390	8.7
71.17402	2.0
73.02950	1.8
74.60258	1.8
81.30492	2.0
83.01400	3.0
89.02454	3.0
92.10909	3.2
92.65851	1.8
97.02954	3.3
99.00900	13.8
101.02463	2.2
109.06605	2.2
113.02436	2.5
125.09735	4.1
161.09732	2.2
163.11278	9.1
171.10228	3.9
179.10835	17.1
181.12381	18.9
189.09267	2.2
191.10756	2.2
197.11852	7.6
199.09825	4.2
205.08533	2.1
207.10295	47.9
209.11841	17.1
223.09857	21.5
225.11366	69.8
243.12379	11.1
253.11008	3.0
277.21759	100.0
443.19211	10.1
459.19147	4.6
461.20810	2.8
471.18649	3.5
638.46814	2.4
656.31659	2.6
695.39899	12.6
719.40222	8.6
721.42004	14.9
731.40204	8.6
739.43048	25.6
747.39752	4.5
775.39502	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00972	0.4
59.01391	2.4
62.03854	0.4
71.01397	2.4
85.02962	1.8
89.14742	0.4
91.11668	0.3
93.03462	5.9
94.76608	0.4
94.98688	0.4
95.01355	0.8
96.95985	0.6
101.02470	0.8
108.02179	0.8
109.02962	5.4
117.03465	0.5
119.05048	0.9
121.02959	7.9
121.06582	0.7
122.03741	10.7
123.00897	1.8
123.04539	2.0
124.01672	1.0
125.02465	0.8
125.93702	0.4
132.02161	0.4
133.02974	2.8
134.03717	1.6
135.04533	4.0
136.01642	1.0
137.02451	19.3
139.00391	0.8
139.03987	2.1
145.02953	2.1
147.04588	0.9
149.02463	28.3
149.05991	0.8
150.03236	100.0
151.00374	10.7
151.04047	6.1
152.01178	3.3
152.04752	4.2
153.01947	0.8
159.04480	1.7
161.02483	0.9
162.03253	0.8
163.04015	1.0
164.04811	6.3
165.05579	90.1
166.02722	38.4
167.03513	3.7
173.04611	0.5
175.04039	2.9
177.01961	2.6
177.05597	2.6
178.02682	1.7
179.03510	2.5
179.07173	0.7
180.04305	6.3
181.05083	38.4
184.03777	2.7
187.04039	4.7
188.04709	0.5
189.05585	0.5
190.02760	0.6
190.06256	0.5
191.03534	1.8
191.05615	3.1
192.04369	0.8
193.05087	2.9
195.06653	30.3
205.05112	9.5
205.08696	0.7
206.05743	0.5
207.06612	0.5
219.06656	0.7
220.07446	5.6
221.08217	1.1
266.05814	0.5
282.05328	1.1
285.04193	0.5
300.06351	0.5
315.08829	2.1
329.10394	2.0
339.08807	0.6
341.10532	0.9
371.11615	0.7
372.12363	2.1
386.13947	0.8
387.10263	7.1
387.15421	5.8
402.13113	3.2
403.14377	2.0
416.15137	1.8
417.15622	34.1
520.17255	0.7
535.15381	3.1
550.18317	0.7
565.20917	41.1
566.21387	1.0
583.22461	1.0
595.21930	1.8
613.23016	29.4
614.22876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
59.01382	6.6
61.98834	7.8
65.31470	1.0
66.49319	0.9
68.47652	0.8
69.83878	0.9
71.01390	6.3
73.02955	2.5
79.00480	1.0
81.03468	1.6
85.02966	6.6
87.04529	4.5
93.03466	2.5
95.01385	1.9
97.16923	1.0
101.02442	4.6
108.02187	98.7
109.02967	53.1
113.02467	1.5
121.02973	5.3
123.04533	2.0
131.03751	1.8
135.04538	1.9
135.08131	1.9
137.09729	6.5
145.02975	4.6
146.03337	1.2
151.04037	1.8
151.11345	1.4
152.01172	100.0
153.00684	1.5
153.01952	40.7
155.10799	39.7
163.03999	1.8
169.12297	1.3
173.04523	1.8
177.01839	1.2
181.08716	1.8
191.05672	1.9
199.09763	10.6
213.11424	1.8
241.10724	2.2
255.12299	1.4
283.11908	2.4
395.25336	1.2
431.01694	1.1
584.05408	1.2
774.26318	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	8.6
60.40307	0.1
62.36055	0.1
63.61759	0.1
73.02931	0.2
89.03986	0.2
101.28507	0.1
104.28782	0.1
117.03477	36.0
127.83295	0.1
143.03406	0.2
145.02975	100.0
146.03320	0.7
246.80775	0.1
448.24573	0.2
449.13007	0.2
509.15662	0.2
551.16364	0.2
679.18219	0.2
739.21362	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	3.9
59.90669	2.9
61.98862	4.3
65.30329	2.6
101.02463	4.6
116.92867	5.5
152.99716	3.0
155.78976	3.5
179.10747	5.5
197.10159	6.1
197.11862	100.0
277.21747	32.2
737.41205	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	3.9
59.90669	2.9
61.98862	4.3
65.30329	2.6
101.02463	4.6
116.92867	5.5
152.99716	3.0
155.78976	3.5
179.10747	5.5
197.10159	6.1
197.11862	100.0
277.21747	32.2
737.41205	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	3.3
58.97465	0.7
59.01389	10.4
61.98846	3.6
64.95024	0.6
69.03472	1.5
71.01382	6.0
71.89668	0.7
73.02967	1.0
80.02695	0.9
83.05044	6.8
84.02213	0.9
85.02952	9.5
89.02474	5.1
93.03481	1.6
93.94818	0.7
96.96046	1.2
97.02967	1.3
97.06592	1.8
101.02438	7.0
113.02487	2.9
116.92844	4.0
117.63749	0.7
121.02982	5.5
125.09713	1.5
127.11283	1.0
128.40527	0.8
135.03090	0.9
135.08205	1.2
137.09708	3.7
151.88580	0.9
155.10812	0.9
163.11296	5.8
165.12895	1.7
171.10274	22.5
183.13861	1.6
191.05580	1.1
193.12384	1.0
209.11867	100.0
210.12289	1.4
211.13474	10.4
213.38014	0.7
221.11954	1.2
223.09703	0.9
227.12936	8.7
229.14481	8.3
231.54869	0.8
235.08252	6.0
239.13092	1.0
241.90379	0.8
253.09323	13.5
285.94354	1.0
291.19806	3.3
309.20743	4.1
327.21838	59.0
445.20825	0.9
563.30518	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	4.0
59.01393	7.2
61.98835	9.6
71.01367	4.8
73.02951	4.5
81.86214	4.5
82.65299	4.3
85.02982	5.3
91.43920	4.3
93.03410	5.3
116.92889	16.9
121.02950	10.2
135.04526	8.2
138.29646	5.1
145.02966	31.2
153.02003	5.2
155.10767	25.8
156.11070	6.8
156.12296	5.4
165.12883	8.7
173.04555	6.1
175.11504	5.4
183.13902	100.0
183.15352	6.6
191.05670	9.4
199.09772	6.5
209.11821	39.5
221.04138	4.4
227.12912	59.8
228.69136	4.8
230.00302	4.4
237.52536	4.6
442.20044	5.3
452.20129	5.8
593.63019	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	773.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01787	7.9
61.98850	16.0
65.33617	9.1
65.95498	8.4
76.08047	9.8
78.95916	9.5
87.86765	10.0
95.19347	11.3
98.51198	8.3
98.67449	8.4
111.08214	8.8
115.17676	8.3
209.11871	56.5
223.89296	9.7
227.12953	15.0
236.28339	10.2
263.27094	10.0
291.19641	100.0
356.95395	11.8
380.64865	10.7
527.28412	33.8
541.43555	13.8
704.46704	11.1
711.49951	12.9
719.40424	14.8
773.40320	15.5
789.50879	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	773.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82931	1.3
55.01882	2.1
59.01387	42.5
69.03473	7.8
69.65466	1.4
71.01382	28.3
72.99322	2.7
73.02950	2.5
75.00864	21.2
81.98994	1.3
83.01402	5.3
85.02953	12.4
87.00882	6.1
89.02441	13.3
93.03463	22.4
99.00869	3.2
101.02448	11.4
107.05013	1.3
110.14696	1.4
111.00922	2.6
113.02461	5.8
115.00380	6.6
119.05023	52.1
121.02956	44.4
122.68977	1.4
125.68697	1.5
135.03015	47.3
135.04536	2.0
137.02446	20.6
143.05023	2.1
149.68243	1.4
151.04068	1.4
153.06184	1.5
163.04031	39.4
164.84813	1.4
166.16400	1.4
173.04567	1.5
174.67825	1.4
185.00894	1.6
188.41051	1.7
191.05640	40.4
219.41904	1.9
237.03998	1.8
237.09181	1.9
239.03493	1.8
239.10831	2.2
283.09784	6.3
285.07376	1.9
296.06808	3.0
298.08298	2.2
299.09259	2.3
300.02655	2.5
302.04187	1.6
307.04739	1.6
311.09155	10.3
313.10831	6.3
327.08807	40.0
328.29681	1.8
329.10736	2.5
330.37979	1.5
341.10254	7.1
343.08215	2.6
344.12747	7.0
345.13531	5.9
356.12747	8.3
357.13446	3.5
359.15146	17.7
367.10394	2.7
371.15024	8.5
385.13040	3.2
491.15857	10.7
503.15750	12.4
506.17838	22.2
518.17993	10.2
521.20361	100.0
533.20374	93.2
533.28534	3.1
551.21399	39.8
786.61932	2.0
802.51904	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	0.8
64.21656	0.8
71.01410	1.4
78.19431	0.7
78.95911	6.4
79.95746	1.4
82.03885	0.7
95.59118	0.7
96.92215	1.5
96.96010	100.0
96.96910	8.1
100.24883	0.7
154.10909	0.8
166.22794	0.9
282.47031	0.9
339.16519	0.9
399.22714	0.8
477.29160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.559
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68953	2.7
59.01391	64.0
64.43224	2.8
66.29474	3.3
71.01381	29.4
89.02429	33.8
97.10771	2.8
101.02464	18.5
113.02483	15.5
119.03515	18.6
122.19385	4.0
142.06525	4.0
170.62163	3.3
170.63635	3.0
225.22229	12.9
278.24771	5.5
414.59512	3.5
416.77280	3.8
532.47424	26.4
550.48724	11.9
557.08789	3.6
564.31299	3.3
693.28094	3.7
712.53766	100.0
781.07422	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	772.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41315	1.3
54.93082	1.4
59.01388	61.4
65.92409	1.3
71.01383	32.1
72.99326	1.8
85.02972	6.8
89.02441	30.1
101.02449	21.3
112.07645	2.2
113.02468	13.1
119.03529	15.0
129.29715	1.4
166.57928	1.7
179.05508	4.3
225.22302	12.3
253.21619	2.0
270.24454	1.9
278.24963	5.9
292.31204	1.6
296.26172	5.4
338.39301	1.7
412.83450	1.8
532.47235	24.8
550.48663	10.1
585.44714	1.6
712.53894	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	773.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51528	0.1
58.00628	0.2
59.01385	7.0
62.80992	0.2
71.01387	3.7
71.94746	0.1
72.99316	0.3
73.02962	0.3
73.76177	0.2
78.79537	0.2
83.01359	0.2
85.02974	1.0
87.00883	0.3
89.02452	3.5
93.03459	0.2
95.01418	0.2
99.00872	0.3
101.02444	1.9
101.26817	0.2
113.02469	1.6
117.03474	15.3
119.03522	1.1
119.05033	6.1
120.05291	0.2
121.02960	3.1
133.06616	0.7
135.04552	3.0
137.02437	0.2
144.55167	0.2
145.02971	100.0
146.03307	1.3
147.04539	2.2
159.04526	0.3
161.04694	0.5
161.06105	1.6
162.03285	0.2
163.04028	7.7
165.05562	0.3
167.03384	0.3
168.31784	0.2
177.05518	0.3
187.04031	2.0
191.05614	1.1
193.05183	0.2
195.06631	0.2
205.05176	1.3
235.11945	0.7
265.07214	1.1
271.02594	0.4
299.02213	0.2
300.02585	0.3
301.03183	0.4
321.15735	0.2
325.09311	25.6
326.09698	0.7
327.11026	2.5
367.06985	0.2
367.16043	0.2
431.12845	0.2
447.15207	0.9
549.40466	0.2
597.87579	0.2
642.91913	0.2
769.42950	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	10.1
71.01395	5.7
75.00830	0.5
85.02953	2.1
87.00896	0.7
89.02451	4.1
91.19331	0.4
92.10740	0.8
101.02453	3.3
113.02453	2.2
117.03482	0.6
119.03500	0.7
119.11951	0.4
121.02943	3.1
132.02173	9.7
134.03738	10.7
135.04515	2.1
147.04605	0.5
149.06105	2.0
160.01677	81.4
161.02054	0.5
165.89505	0.4
175.04028	100.0
176.04642	2.0
178.02806	0.5
191.05655	0.8
191.07181	0.8
193.05074	13.1
202.02791	0.8
213.66118	0.4
217.05078	5.2
235.06209	2.3
265.07263	0.4
282.78308	0.4
295.08423	0.5
355.10422	32.1
356.10941	0.5
417.14240	0.6
435.69437	0.4
713.38141	0.9
753.50842	0.4
767.55164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05947	0.2
56.33756	0.1
58.75682	0.2
59.01387	6.5
71.01385	20.2
78.35549	0.2
85.02971	1.0
87.00887	0.3
89.02449	4.0
93.03463	0.8
101.02432	1.7
113.02448	1.4
115.00386	8.4
119.03497	1.1
121.02969	100.0
122.03296	1.0
135.04532	0.9
143.03493	0.2
153.09294	0.2
161.04572	0.4
173.04605	0.2
179.05637	2.0
191.05646	6.4
205.12419	0.7
237.04097	9.8
337.09305	1.1
362.40549	0.2
385.18768	1.3
476.14954	0.8
523.77264	0.2
713.43927	0.2
780.71088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	24.2
61.98846	100.0
71.01405	14.8
76.12560	10.9
93.03461	12.5
96.96043	27.0
121.02992	30.8
125.09831	11.1
207.10258	17.1
209.11798	88.9
212.95889	14.2
592.90839	14.7
631.28375	13.6
782.04956	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	771.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92047	4.4
56.62160	5.3
59.01397	12.5
59.96333	4.0
63.93273	5.4
65.88297	3.9
66.22606	4.6
70.75861	4.6
70.77849	4.8
71.01389	27.6
83.05029	7.5
89.45049	5.1
101.02461	7.7
117.94288	5.0
122.79323	5.8
124.50838	4.8
124.84039	4.9
125.09663	7.7
137.09727	5.7
147.49561	5.0
148.01973	6.1
163.11305	7.5
171.10260	33.4
201.11337	10.7
207.10242	24.1
209.11856	100.0
225.11391	27.8
227.12918	6.4
235.08389	5.6
253.09297	9.0
289.18036	9.2
291.19656	24.6
307.19107	6.1
309.20822	21.4
447.11456	7.0
487.34140	40.2
802.18866	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	772.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.0
59.97475	4.0
61.98832	35.3
69.65368	3.6
91.39222	4.8
93.03480	7.6
96.96005	6.2
101.02460	5.6
121.02937	25.5
134.03743	9.1
160.01666	51.4
173.04518	7.9
175.04001	63.3
179.58748	4.8
191.05576	9.9
193.05148	6.5
209.11891	9.9
241.66489	5.7
241.69281	4.4
249.13403	4.6
272.02765	4.9
391.35498	4.8
451.46902	4.8
470.14716	100.0
702.06555	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	771.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.1
62.78686	0.1
66.39979	0.1
71.01389	2.6
72.99319	0.1
73.02959	0.2
75.00875	0.2
85.02971	0.9
89.02456	1.9
93.03462	0.8
97.02975	0.2
101.02451	1.7
113.02467	0.9
113.98437	0.2
115.00401	0.2
119.05031	100.0
120.05373	0.7
121.02966	4.3
124.43878	0.2
125.02427	0.6
125.20856	0.2
130.32504	0.1
133.02948	0.7
134.03735	1.1
135.03027	0.2
135.04527	0.3
137.02455	0.2
137.06047	0.2
143.03539	0.2
156.15613	0.2
161.02469	1.9
161.04544	0.2
163.04027	66.7
164.04468	0.4
179.03525	0.2
179.05617	0.9
181.05092	0.2
191.03867	0.2
191.05646	1.7
193.05103	0.7
205.05109	0.3
209.04611	0.2
211.98625	0.2
221.06737	0.2
223.06114	0.3
283.09787	0.3
319.66226	0.2
323.09949	1.1
325.09329	7.4
327.08731	0.2
367.10880	0.2
413.24063	0.2
445.13629	0.8
549.18884	0.2
552.65735	0.2
711.31140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98850	9.8
63.53778	4.1
67.72968	4.3
68.16722	4.7
75.92907	4.3
85.96680	5.1
130.55557	5.5
162.05186	5.0
194.83612	4.9
211.13434	74.4
223.88528	4.8
228.29762	5.3
273.23291	5.2
277.21774	100.0
300.73740	5.4
667.20685	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	771.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.1
59.01386	1.9
59.79417	0.1
60.01711	0.1
65.30257	0.1
67.01892	0.5
69.03466	0.1
70.50475	0.1
71.01067	0.1
71.01380	0.9
73.02950	0.2
81.03487	0.2
83.05047	0.1
85.02954	7.1
86.89785	0.1
87.00885	1.8
93.03458	3.4
94.03783	0.1
99.04539	0.1
101.02438	0.2
103.22704	0.1
105.03461	0.1
109.02988	0.7
111.04548	1.0
119.05050	0.1
121.02966	0.5
125.02440	0.1
127.04007	1.9
133.02969	2.6
134.03329	0.6
135.04533	0.8
136.04930	0.2
155.03474	0.1
155.58513	0.1
161.02446	2.5
171.02997	0.6
173.04561	1.5
174.04959	0.1
177.01952	0.2
179.03526	0.5
191.05641	100.0
192.05981	1.4
193.05023	0.2
215.05563	0.1
235.11737	0.1
236.12187	0.1
279.88507	0.1
327.08539	0.2
337.09128	0.4
340.36050	0.1
351.07330	0.2
352.07559	0.2
353.08829	13.6
354.09198	0.4
359.28363	0.1
436.03232	0.1
632.07977	0.1
665.53998	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	13.5
61.98849	2.2
64.51184	1.9
67.20174	1.9
71.01391	2.9
77.57596	2.0
80.02687	2.4
83.05063	3.3
94.29111	2.3
101.02469	2.8
113.02439	2.5
165.12912	3.1
185.34019	2.2
195.10274	4.3
197.11862	13.8
209.11870	70.0
227.12898	3.8
235.08305	3.9
242.65697	2.6
253.09430	9.0
263.20212	100.0
277.21765	32.0
292.22635	2.4
478.58893	2.3
515.49384	2.6
737.41284	13.3
769.43707	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	770.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43876	4.1
60.06535	4.4
60.94617	3.8
61.59309	4.2
61.98865	5.6
65.41901	3.9
84.24116	4.2
93.13569	4.1
118.83307	4.4
126.76398	4.2
149.58299	4.9
161.65590	4.5
211.13501	55.5
216.02637	4.7
223.24179	4.1
277.21738	100.0
480.83234	5.5
524.69244	4.7
707.43292	7.6
764.81848	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	769.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48120	1.2
56.24650	1.4
59.01385	5.8
61.98841	1.9
68.80260	1.4
69.03442	5.4
71.01384	2.7
71.05030	2.7
73.02957	1.4
80.21432	1.4
81.20998	1.4
89.02451	3.0
101.02436	7.1
109.96140	1.5
111.08167	2.9
117.65491	1.6
151.11340	2.3
161.09717	2.6
173.04622	1.8
179.10802	8.4
191.05673	1.7
197.11861	100.0
211.13472	6.2
218.38794	1.7
225.11301	1.9
253.09383	3.8
289.86838	1.8
291.19766	2.8
309.20779	6.2
769.40283	76.8
770.39575	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	769.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95586	2.2
59.01395	11.9
64.34239	3.0
71.01388	4.4
73.58368	2.2
85.02978	4.1
109.20252	2.7
153.14995	3.1
209.11873	100.0
227.12953	2.9
239.57187	2.9
253.09311	3.2
257.60406	2.6
277.21762	52.9
457.37875	2.7
737.41498	14.9
769.43707	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	769.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	17.7
61.98850	11.6
63.76441	1.7
79.48093	1.7
96.96022	2.0
132.02197	27.3
146.17955	1.7
160.01672	100.0
166.17891	1.8
171.10358	2.4
174.20813	1.8
175.04025	82.7
197.11896	2.8
209.11838	2.8
357.42114	2.0
469.29553	9.0
471.87576	2.4
517.31934	13.3
518.32635	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	769.403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35501	0.9
57.03476	1.1
59.01396	7.3
61.98850	1.3
69.03477	5.0
71.01395	7.1
80.69749	1.0
83.05060	1.7
85.02966	2.1
89.02428	1.4
97.02947	1.6
101.02454	6.1
109.06619	1.1
111.08172	4.7
113.02431	2.8
114.84612	1.2
119.03472	1.3
125.02496	1.5
125.09721	2.7
128.88316	1.2
147.75574	1.0
151.11305	1.7
161.09752	6.1
169.12424	4.4
171.10332	2.2
179.10805	6.3
197.11858	100.0
211.13477	2.0
224.17342	1.3
241.10884	2.0
253.09311	2.0
291.19620	6.4
296.84024	1.3
309.20758	2.4
315.39627	1.1
444.20984	1.2
540.74622	1.3
769.40375	61.5
770.40863	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	769.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.9
57.03461	0.8
58.00606	0.4
59.01388	100.0
62.48907	0.3
63.06926	0.3
69.03449	0.4
71.01389	14.9
71.77467	0.3
72.99334	0.8
73.02946	6.5
80.53333	0.4
83.01416	3.4
85.02966	11.2
87.00903	2.1
89.02454	5.2
93.03470	4.4
95.01386	1.7
95.05037	0.4
95.24825	0.4
99.00864	3.2
101.02457	21.1
105.03465	1.5
109.02980	0.4
111.00881	0.5
111.04534	0.9
113.02461	7.3
119.03482	0.5
119.05039	0.4
121.02965	27.8
127.04024	0.6
129.01933	0.6
133.02026	0.6
133.02977	11.3
135.04530	12.1
143.03487	0.5
159.02985	2.0
161.02504	0.6
161.04573	8.8
163.04036	0.8
163.06148	2.3
173.04620	3.0
177.01926	2.3
181.07196	2.7
186.74048	0.3
191.05646	29.6
199.89348	0.4
215.05696	0.8
229.80394	0.4
235.09457	0.8
235.11900	24.6
267.09399	0.4
277.12985	11.8
321.11810	0.6
325.11414	10.6
351.07242	4.0
353.08844	3.5
422.35696	0.4
429.14755	0.4
437.72629	0.4
447.15216	6.1
617.52307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82860	0.5
57.03464	0.7
59.01387	1.4
59.53981	0.5
62.20021	0.5
62.71026	0.5
67.88480	0.7
71.01389	8.6
73.02950	0.9
85.02962	5.7
87.00909	2.8
93.03458	40.5
97.02954	0.8
101.02373	0.7
113.02464	1.0
115.00374	5.7
121.02981	2.9
125.02454	0.7
133.01460	7.6
133.03006	2.8
135.04543	1.4
137.02463	100.0
163.03996	1.0
171.97145	0.6
173.04559	1.3
173.14928	0.6
191.05647	26.0
191.34233	0.6
192.05746	0.8
206.16650	0.6
215.05659	1.1
260.58844	0.6
299.07782	23.4
317.82660	0.7
348.35361	0.8
351.07349	2.3
353.08740	2.7
415.08643	4.4
720.33893	0.8
737.20795	0.8
739.75580	0.7
770.84271	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.8
57.42351	0.2
58.37835	0.2
59.01387	1.8
59.85172	0.2
60.99319	1.6
67.01901	4.5
69.03467	1.5
71.01385	2.0
81.03056	0.2
81.03474	1.3
83.05044	0.8
85.02956	5.5
85.03458	0.2
87.00877	8.8
89.02497	0.2
89.73644	0.2
93.03460	31.7
96.14434	0.2
99.00899	0.7
99.04552	0.9
109.02959	0.4
111.04528	5.0
113.02436	0.3
117.03481	1.1
121.02958	0.2
127.04020	1.6
129.01964	1.1
134.03751	13.5
137.02443	0.3
143.03461	0.2
149.06078	1.0
155.03523	0.8
155.11931	0.2
160.01683	0.3
162.60152	0.2
171.03026	0.2
173.04562	11.3
175.04030	1.0
191.05644	100.0
192.06000	0.4
193.05080	7.0
347.33325	0.2
367.10406	31.9
531.12219	0.2
583.22528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01407	21.7
77.03521	17.6
86.35090	17.3
87.79518	16.1
91.22384	18.5
108.17609	15.4
130.16054	17.4
132.72830	15.2
136.37460	15.7
211.13419	100.0
277.21664	88.8
346.90756	18.2
503.24445	20.7
626.26819	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	767.5841
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	0.6
79.75777	0.5
83.86755	0.8
87.31185	0.5
92.10173	0.6
96.84742	0.6
166.32922	0.6
171.10275	8.8
236.59100	0.7
277.21732	9.6
295.22794	31.1
393.31305	0.7
471.34866	100.0
472.35022	2.2
571.08881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68226	0.6
54.16564	0.6
59.01392	5.7
59.50766	0.6
61.98837	15.1
71.01379	4.6
73.02946	0.7
83.05039	4.4
85.02948	1.3
89.02442	3.0
93.03453	1.4
101.02441	3.5
109.67886	0.7
113.02454	1.2
116.92896	0.7
121.02972	3.4
135.66560	0.7
145.03015	1.6
151.34871	0.7
161.02345	0.9
161.04564	1.4
161.06026	0.8
161.09752	0.7
163.11296	1.7
164.51111	0.7
171.10252	3.1
181.25856	0.8
186.68484	0.7
209.11876	100.0
210.12096	1.1
227.12923	14.7
230.68477	0.7
235.08171	1.3
253.09251	4.7
272.23520	0.7
309.20892	2.9
310.21097	1.2
445.20856	8.7
463.21945	1.7
578.04620	0.9
637.32477	3.2
654.48126	0.9
673.34741	1.6
768.36029	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46706	0.1
54.82707	0.2
58.16051	0.1
59.01389	0.9
60.01760	0.2
61.98837	100.0
64.94683	0.1
66.64214	0.2
71.01382	0.7
85.02988	0.2
87.00893	0.2
89.02464	0.3
92.10110	0.4
101.02478	0.2
113.17419	0.1
139.03282	0.2
146.75008	0.2
171.10275	0.6
177.01941	1.0
191.05803	0.2
197.11823	0.7
209.11896	2.5
210.12233	1.4
211.12431	0.3
250.02240	0.2
297.08749	0.2
309.20694	0.7
310.21030	0.3
329.85159	0.2
357.62119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	34.5
64.59784	2.0
66.17722	2.1
68.79975	2.0
69.85478	1.6
76.72009	1.7
80.03344	1.7
92.10090	4.9
94.78011	1.8
101.02408	2.5
105.63372	1.8
142.24176	1.8
167.80579	1.8
209.11873	100.0
253.09331	3.1
277.21756	85.9
445.20535	2.1
752.35913	2.1
772.86298	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	7.6
71.01407	13.7
72.99352	4.8
75.00889	16.7
85.02967	17.0
87.00883	5.0
93.29729	3.3
99.00923	6.5
113.02460	17.6
122.95818	3.2
212.88036	3.6
255.23335	84.8
277.21848	30.0
329.90347	4.0
358.42181	3.8
374.99582	4.0
654.79895	3.7
765.29565	4.6
765.51843	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	766.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.3
61.92448	0.1
61.98837	100.0
66.31864	0.1
69.44265	0.1
71.01380	0.2
74.02196	0.1
80.69452	0.2
107.42926	0.2
121.02932	0.2
125.09735	0.2
148.71919	0.1
160.84225	0.9
181.12367	0.2
197.11833	0.2
207.10271	0.7
208.10678	0.2
209.11964	1.4
210.12218	0.7
211.12599	0.2
221.93495	0.1
223.17244	0.2
225.11346	0.8
226.11589	0.7
242.00690	0.1
263.31863	0.2
450.12701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60023	1.8
59.01392	10.8
61.98836	3.3
67.82493	1.9
69.03462	3.6
71.01379	8.8
81.03446	2.4
83.01434	2.5
85.02966	2.1
89.02466	3.6
90.57409	2.0
98.76278	2.4
101.02429	4.6
116.92865	3.8
123.04532	2.4
125.09737	5.2
163.11330	2.9
179.10834	8.8
185.11882	10.8
197.11874	100.0
207.10260	2.3
209.11891	12.4
211.13489	2.6
241.10851	4.2
245.19106	3.9
289.18073	10.3
419.95020	2.4
432.12204	2.2
497.59491	3.0
517.30798	2.4
767.38885	76.9
768.39404	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54588	0.6
59.01392	2.5
60.99314	20.4
71.01406	0.7
73.99554	0.5
78.26596	0.5
79.97747	0.6
87.00873	7.2
88.00428	2.8
88.01224	0.8
88.98808	100.0
89.02446	27.5
91.93935	0.6
92.19846	0.6
267.40930	0.6
275.59116	0.6
277.21802	1.0
280.95456	0.7
383.43326	0.6
397.13492	1.4
418.59363	0.7
460.58539	0.6
484.28720	0.7
559.85413	0.6
598.28522	0.9
608.72479	0.7
737.83270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
56.93926	0.1
57.03458	0.1
57.53760	0.1
59.01388	2.5
60.85666	0.1
61.98833	0.2
63.18338	0.1
65.06731	0.1
71.01383	1.7
73.02982	0.2
80.02677	1.3
81.03473	1.0
83.01398	0.2
83.05032	4.5
84.02166	1.3
85.02972	0.6
87.00886	0.3
87.27863	0.1
89.02448	1.8
90.69300	0.1
92.10809	0.4
93.03466	0.2
95.05029	0.6
97.02914	0.2
97.06551	0.2
99.00928	0.1
101.02454	2.3
109.06616	0.3
113.02452	1.0
121.02954	0.3
125.06059	0.3
125.09766	0.2
125.34933	0.1
135.08171	0.8
145.05070	0.2
160.01779	0.1
161.04585	0.9
163.11307	4.5
165.12875	3.0
171.10269	0.6
171.54601	0.1
173.04567	0.3
179.05684	0.1
181.12321	1.1
191.10776	1.2
209.11874	100.0
210.12227	1.3
227.12927	10.8
235.08295	1.0
247.13429	0.2
253.09325	3.8
445.20868	2.9
463.21857	0.3
528.00403	0.2
637.32599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79166	0.3
56.88556	0.3
57.34188	0.3
59.01383	0.7
61.98837	100.0
67.04363	0.3
68.14012	0.3
71.01382	0.7
93.03465	0.5
102.18671	0.3
105.92359	0.3
114.04578	0.3
118.42888	0.3
122.90142	0.3
140.03993	0.4
148.55096	0.3
159.29344	0.4
209.11804	2.1
210.12140	0.8
211.12468	0.5
226.17517	0.4
239.39113	0.3
243.10701	0.4
513.66602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89112	0.9
59.53077	1.0
61.98837	100.0
77.68565	1.0
78.95896	1.7
81.11719	1.1
95.74575	1.2
102.38517	1.0
110.21873	1.3
111.87798	1.1
138.31618	1.0
255.23354	6.4
256.23712	1.4
315.24866	1.1
339.16800	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	19.9
60.80700	3.8
61.42471	4.1
66.36009	4.0
72.79390	5.2
78.95917	30.3
97.82491	4.2
98.59272	4.4
110.26304	4.2
110.83634	4.2
129.14000	4.9
153.33406	4.5
153.50632	4.7
187.30865	5.0
209.11899	99.2
225.11369	4.1
227.12897	4.8
241.14482	7.8
252.08777	5.4
255.23312	89.5
275.01569	5.4
391.50558	5.3
558.64728	5.4
690.43683	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	763.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77213	37.1
64.85849	41.2
71.25973	46.6
83.71618	50.3
179.47742	40.2
263.79517	48.8
281.25006	100.0
727.63025	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81889	0.1
58.73721	0.1
63.19694	0.1
68.21954	0.1
70.22237	0.1
70.23102	0.1
71.48208	0.1
92.10143	0.1
121.10225	1.8
125.09718	0.8
185.11870	1.2
197.11847	0.3
223.13287	0.2
291.19724	13.0
292.20013	0.1
337.84952	0.1
389.70538	0.1
458.61365	0.1
471.34891	100.0
472.35220	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	763.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81431	0.1
59.01389	0.9
61.98837	100.0
65.66587	0.2
69.18578	0.1
71.01392	0.3
72.99313	0.9
85.02950	0.2
87.00863	0.2
88.98797	1.5
93.03439	0.3
96.96003	0.7
98.85500	0.2
108.02181	1.9
109.02970	1.2
109.41048	0.2
121.02966	0.7
130.89847	0.2
135.00909	0.2
135.04527	0.3
137.09756	0.3
152.01172	2.4
153.01926	0.8
155.10838	0.4
173.04570	0.2
182.45880	0.2
191.05621	0.3
199.09810	0.3
207.10220	0.2
209.11865	2.6
214.73071	0.2
227.12968	0.3
243.92755	0.2
276.51450	0.2
345.99954	0.2
497.17035	1.5
548.42163	0.2
763.24603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93853	1.5
59.01389	16.3
61.59104	1.6
61.98839	12.8
69.80101	1.9
71.01392	3.5
71.46572	1.8
81.61419	2.0
83.05061	8.3
85.02979	3.1
87.44824	1.8
88.98829	2.1
89.02458	3.3
90.14046	1.9
93.03456	1.9
96.96030	8.7
97.02962	4.3
99.00874	7.3
101.02454	4.3
109.02995	2.2
109.06609	3.6
113.02505	3.3
116.92875	2.0
121.02979	15.3
125.09747	14.1
130.93272	2.0
151.46947	2.3
163.11279	11.9
181.12354	20.1
191.05635	2.5
207.10304	58.0
209.11874	100.0
225.11377	87.5
227.12947	9.2
230.86250	2.2
243.12448	2.5
253.09317	3.4
257.13971	12.1
431.57874	2.3
461.20441	19.2
464.39481	2.2
469.64853	2.2
515.62390	2.6
653.32080	10.3
671.33014	9.6
763.39581	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	763.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97171	0.4
59.01384	0.8
60.99313	19.8
61.98836	5.6
64.80758	0.3
66.25075	0.3
69.04787	0.3
71.01380	0.7
77.12680	0.3
77.56935	0.3
83.05025	0.6
87.00891	0.9
88.00389	0.6
88.98804	100.0
89.02428	3.1
93.03466	1.4
101.02464	0.5
106.88934	0.3
121.02866	0.6
137.02425	0.6
158.37680	0.3
173.04547	0.6
175.04022	0.4
191.05740	0.6
209.11858	5.0
227.12788	0.4
302.85892	0.4
309.79568	0.3
319.33356	0.4
581.42767	0.4
748.28174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01394	38.2
62.74282	0.4
62.97536	0.4
71.01389	10.2
85.02515	0.5
85.02966	3.7
87.00871	1.0
87.65160	0.5
89.02439	8.7
93.03477	2.9
101.02440	6.5
102.11104	0.6
108.02199	2.2
109.02962	0.6
113.02470	2.7
119.03515	2.8
119.05039	3.1
121.02961	2.8
123.04545	3.0
124.01659	1.3
133.06578	0.7
134.03731	5.8
135.04575	9.7
136.05299	15.2
137.02426	1.1
149.06096	1.1
150.06429	0.7
151.04045	3.7
151.07639	4.3
158.06245	0.5
161.04555	0.5
162.03250	40.1
163.03998	2.1
173.04623	1.2
177.05586	56.3
178.02760	2.2
179.03215	1.2
179.05666	1.2
191.05612	4.9
193.05090	7.5
194.05527	3.0
195.06667	100.0
224.01845	0.6
337.09378	2.9
355.09958	0.7
357.11993	25.6
435.66287	0.6
643.91638	0.6
777.90009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	3.0
69.27375	0.6
71.01398	2.9
83.05061	1.2
87.31030	0.8
89.02428	1.3
90.83833	0.7
94.45975	0.6
99.75233	0.7
101.02455	1.7
112.71550	0.7
113.02454	1.1
128.05420	0.7
145.05063	0.9
163.11411	0.7
165.12799	0.8
175.83174	0.8
191.10887	1.2
209.11867	49.1
227.12906	4.7
235.08235	4.2
237.65442	0.8
253.09334	5.0
255.23341	100.0
262.47546	0.7
313.22110	0.8
320.68933	0.7
353.34912	0.7
370.30084	0.8
433.83057	0.8
491.31851	1.4
579.13544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95639	17.8
61.09894	18.2
64.91853	17.5
70.46585	23.3
92.10770	77.5
99.81089	22.3
102.33784	22.0
102.93356	20.2
117.97275	22.6
120.02240	22.7
183.13948	37.7
201.31366	21.0
204.14017	26.3
206.27876	22.1
209.11842	43.8
250.68713	23.9
267.16614	22.4
279.23407	100.0
431.12396	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	61.1
69.89631	55.1
94.90648	65.5
116.92857	81.1
156.69547	65.8
207.56628	71.5
210.94655	78.6
268.04483	69.8
275.83047	73.5
281.24994	100.0
295.64304	75.8
403.29025	81.2
633.46179	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83103	48.1
62.10772	45.7
77.60185	43.7
92.10123	100.0
93.21093	55.1
96.65456	47.1
107.39816	50.4
137.03961	50.2
152.43178	46.7
255.23259	75.1
448.20142	62.8
484.34827	52.5
533.41510	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60416	1.4
55.81244	1.4
59.01376	12.6
61.98848	6.3
62.11761	1.7
71.01390	2.5
74.59524	1.8
83.05044	3.2
89.02477	2.7
101.02480	2.9
113.02518	1.7
116.92846	3.5
161.04616	1.9
163.11310	2.5
167.10799	3.0
179.14430	3.7
195.13904	14.4
205.12320	12.1
209.11867	100.0
223.13425	94.9
227.12840	11.8
236.83388	1.5
253.09299	7.6
298.73849	1.6
422.92523	1.6
445.20773	2.2
459.22675	18.9
486.41953	1.7
534.58868	1.7
581.63647	1.6
585.85083	1.7
633.32764	2.2
645.48822	1.7
651.33740	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	761.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	2.0
64.34855	0.5
70.07396	0.4
71.01390	35.5
73.02969	0.9
74.14303	0.4
85.02949	0.5
89.02409	0.8
101.02460	0.5
115.00381	27.7
118.07909	0.5
133.01437	20.0
135.08176	0.7
153.09232	100.0
179.07051	0.7
191.05568	0.8
197.08223	54.6
227.03517	4.3
255.03050	5.7
284.03336	6.0
285.04034	1.0
313.09390	14.3
447.09332	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	761.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82843	3.8
59.01389	25.3
61.98853	14.9
71.01392	8.0
83.05014	4.2
97.02953	7.0
99.00882	4.9
101.02405	4.2
108.08331	3.7
109.06611	24.3
121.02921	4.7
125.09735	15.1
138.86852	3.6
163.11325	24.9
168.45828	3.8
169.12462	4.7
181.12350	17.9
184.10956	3.8
197.11839	6.4
207.10284	100.0
209.11890	31.0
213.88625	4.4
225.11371	82.9
242.56445	4.4
252.62938	4.2
253.09258	6.4
257.14008	6.1
461.20374	19.3
501.31992	7.2
611.05688	4.6
651.30084	24.7
669.31598	18.0
701.34338	30.4
739.64514	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	760.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83176	1.3
56.22820	1.4
59.01389	23.9
61.98852	8.5
64.63087	1.1
66.89772	1.7
69.26232	1.5
71.01394	13.6
73.02948	1.4
82.95425	100.0
84.00927	52.6
84.01405	2.6
84.95164	9.6
85.02956	2.9
89.02445	11.5
101.02467	8.9
113.02462	3.0
121.50024	1.5
125.02510	2.0
143.26259	1.4
147.20448	1.7
179.05592	2.1
235.08253	2.3
277.21735	22.9
287.07819	2.5
301.60382	1.6
303.68088	1.7
397.13525	32.2
415.14493	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	760.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
61.98843	100.0
71.01395	0.1
87.00965	0.1
93.03484	0.1
96.96028	0.1
104.23424	0.1
106.96787	0.1
108.02193	0.1
116.92900	0.1
117.03468	1.9
119.05019	0.1
121.02953	0.1
137.02501	0.1
138.01997	0.1
145.02974	5.6
185.85126	0.1
191.05650	0.4
371.11258	0.1
407.36929	0.1
697.19855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.2
60.62402	0.2
61.98838	100.0
65.35484	0.2
77.10280	0.3
88.08330	0.3
107.58030	0.3
117.03442	2.5
125.72890	0.3
145.02966	10.0
165.12849	0.5
165.26250	0.3
183.13936	3.4
227.12930	1.4
794.87292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.2
61.98837	100.0
72.24917	0.3
99.64140	0.3
117.03470	0.6
121.02962	0.5
145.02975	3.3
148.98479	0.3
181.12344	0.3
209.11929	0.6
388.28070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.4
59.74951	0.2
61.23695	0.2
61.98843	100.0
65.20928	0.2
65.66196	0.2
67.40812	0.2
71.01397	0.5
76.58762	0.2
88.47976	0.2
108.98869	0.2
117.03445	1.8
121.02975	1.1
125.39631	0.2
145.02974	5.0
151.00255	0.3
169.81395	0.2
209.11902	1.0
376.04257	0.3
376.54590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.41
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68688	4.5
66.68821	5.7
92.10167	11.2
134.93317	6.0
208.51709	5.6
209.11888	100.0
227.13023	7.6
253.09131	6.9
255.84538	6.3
277.21793	58.8
357.27493	5.5
406.58957	5.9
445.20761	6.6
445.65009	5.8
583.98077	5.9
759.40942	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	759.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36443	4.8
59.42989	5.4
64.13547	5.4
66.39667	4.9
70.13982	6.7
72.70310	8.7
77.14696	6.1
79.47470	5.6
116.92815	9.0
205.76024	6.8
209.11824	60.9
227.12872	8.5
253.21796	100.0
277.21802	9.8
285.62473	6.7
288.43246	7.6
392.91360	7.7
419.36176	7.5
475.48712	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	759.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	7.6
65.67918	5.6
78.95930	6.1
126.87230	6.3
136.06729	6.2
189.78596	5.9
209.11906	49.2
223.02122	7.2
249.06216	8.6
253.21721	100.0
689.65845	6.6
759.40472	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	759.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69825	3.4
64.58520	3.7
72.04076	3.1
99.31712	3.1
134.54533	3.9
173.68527	4.4
209.11850	53.9
227.12968	15.3
277.21741	100.0
307.77759	3.5
406.71237	4.1
480.90912	4.0
570.64514	4.0
645.71698	4.3
759.41290	30.5
772.12579	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	759.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35691	2.3
54.58863	2.5
54.92807	2.5
58.02216	2.5
59.01390	41.4
61.98840	15.9
65.58932	2.1
69.03466	19.2
71.01385	15.5
81.03472	7.2
83.05048	4.7
85.02942	4.0
87.00840	2.6
89.02490	3.2
97.02956	18.1
101.02428	3.5
106.74313	3.2
109.06583	47.8
111.04567	3.0
113.02475	5.3
117.03486	15.3
121.02917	4.8
121.06577	3.8
123.08147	17.5
125.09720	13.2
135.08194	5.1
136.05298	4.8
142.02760	4.6
145.02965	34.5
149.06075	4.2
161.04550	3.4
161.09718	6.7
163.11278	29.7
179.10834	49.1
181.12326	3.9
197.11853	22.0
205.08696	4.4
207.10307	100.0
209.11945	4.4
223.09842	43.1
225.11320	49.5
253.09334	12.3
255.12450	12.8
331.89996	3.1
369.20749	11.8
387.21841	5.1
459.18570	15.3
461.20480	6.4
546.44580	3.5
559.04089	3.8
623.28802	5.2
649.28931	18.6
650.30621	3.1
667.29968	47.5
667.40271	5.2
681.31580	14.9
699.32666	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	759.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04375	0.1
57.03460	0.2
59.01395	1.2
67.01912	0.3
71.01400	1.1
71.13606	0.1
73.02951	0.3
74.74005	0.2
78.09095	0.1
78.42509	0.1
78.95980	0.3
82.20435	0.2
82.77277	0.1
83.05054	0.2
85.02968	5.0
87.00877	1.5
87.62498	0.2
93.03468	3.8
94.03838	0.2
96.96003	0.2
99.04503	0.3
107.09428	0.2
107.35752	0.2
109.02980	1.0
111.04527	1.1
127.04033	1.9
133.02965	2.6
134.03357	0.3
135.04533	1.6
137.02438	1.1
152.51672	0.2
155.03447	0.2
161.02438	2.3
171.02928	0.3
173.04605	1.3
177.01955	0.4
179.03529	1.1
191.05637	100.0
192.06001	1.2
193.06100	0.4
193.10857	0.2
215.05676	0.4
245.25922	0.2
351.07437	0.4
352.07816	0.3
353.08823	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	759.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85832	0.1
57.03446	0.1
58.83375	0.1
59.01390	1.1
67.01900	0.2
69.03449	0.2
71.01395	0.6
73.02962	0.1
80.79903	0.1
81.03435	0.1
83.01406	0.1
83.05058	0.2
85.02954	6.1
85.03461	0.2
87.00871	1.3
92.10114	0.1
92.65926	0.1
93.03458	3.8
93.04009	0.2
96.95985	0.1
97.02959	0.1
99.04543	0.2
105.03510	0.2
109.02985	0.8
111.04528	1.4
113.02499	0.1
127.03998	1.4
133.02972	1.7
134.03371	0.2
135.04538	1.9
137.02419	0.9
155.03462	0.1
161.02466	1.8
171.02982	0.5
172.28575	0.1
173.04579	1.3
174.14955	0.1
177.01953	0.7
179.03514	1.0
191.05641	100.0
192.06003	0.9
194.99287	0.1
210.73033	0.1
211.37518	0.1
215.05643	0.7
215.62903	0.1
215.74620	0.1
330.70807	0.1
351.07230	0.7
352.07544	0.5
353.08835	11.6
354.09326	0.2
505.25015	0.1
542.25159	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	759.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82660	0.4
57.03459	0.7
59.01387	6.7
60.99312	0.6
61.33286	0.3
61.98856	0.4
67.01897	5.2
69.03467	0.8
69.65546	0.4
71.01385	7.2
72.99337	0.4
73.02975	0.6
81.03480	0.9
81.87747	0.4
83.01398	0.4
83.05042	0.8
85.02959	11.2
87.00866	4.2
89.02460	2.1
90.40472	0.4
93.03461	32.5
99.00867	0.7
99.04546	0.5
101.02470	2.1
101.41946	0.4
105.03501	0.4
107.05055	1.7
108.02177	0.4
109.02976	3.0
111.00883	2.7
111.04533	7.8
112.94141	0.4
113.02409	0.7
119.03500	0.4
119.05035	2.2
119.05897	0.4
121.02930	1.7
123.00900	0.7
123.04555	0.5
127.04031	2.5
129.01936	0.5
133.02966	5.7
134.03786	3.4
135.04539	80.9
137.02457	7.1
139.04041	0.5
149.00690	0.9
149.02525	0.9
150.03252	2.6
151.04021	0.8
155.03528	4.8
161.02461	6.3
162.03233	2.3
163.04019	2.3
164.04817	0.6
165.05547	3.0
173.04576	100.0
174.04924	2.2
176.04834	0.8
177.01964	0.8
177.05551	0.9
179.03528	65.0
191.05656	95.1
192.06151	1.2
192.99690	0.8
194.05841	0.8
195.06665	0.5
201.97383	0.4
219.03004	0.6
243.53178	0.4
262.04648	0.4
277.07462	0.5
327.12451	2.7
337.09357	2.2
353.08871	66.4
354.09576	0.7
397.12924	0.5
444.54529	0.4
461.14841	0.5
481.73022	0.4
577.41779	0.4
579.17786	0.5
586.83044	0.4
687.23840	0.5
759.23645	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	759.289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	10.4
61.98827	2.2
62.47970	0.8
71.01374	4.6
71.03594	1.1
73.02964	1.2
80.89909	0.9
84.93903	0.9
85.02974	1.6
88.98816	1.4
89.02410	1.5
92.18266	1.1
93.03480	1.7
96.96020	1.9
101.02438	2.3
108.02251	1.4
109.02981	1.8
119.05037	1.4
121.02944	13.8
125.02444	1.3
130.70103	1.1
135.04535	17.4
137.02422	6.4
145.02957	5.2
149.02467	37.8
150.03235	1.0
151.00383	4.4
151.04066	1.2
153.01936	1.7
163.03972	1.2
164.04817	100.0
165.12962	1.2
166.02739	20.5
167.03458	1.3
173.04570	1.6
177.01971	1.4
179.03345	1.1
179.07155	50.2
181.05093	23.1
191.05602	1.7
201.11357	1.1
205.89479	1.1
209.11880	13.1
227.12914	1.7
231.84598	1.0
326.07681	1.0
387.10507	2.2
387.14645	5.3
402.13229	2.3
417.15659	24.7
420.85501	1.1
445.20816	4.2
511.42233	1.1
577.28595	1.1
597.23499	16.4
629.31116	1.3
751.01874	1.3
759.35480	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	759.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.1
59.01383	1.8
66.81834	0.1
67.01904	0.9
69.03493	0.1
71.01389	1.3
73.02934	0.2
74.70528	0.1
85.02959	5.9
85.06581	0.2
87.00869	1.6
89.02472	0.2
93.03456	4.8
96.95980	0.2
99.00893	0.2
99.04530	0.3
101.02445	0.3
105.03519	0.2
109.02969	0.6
111.04560	1.3
113.02509	0.2
119.05048	0.7
121.02944	0.3
127.04015	2.1
131.07161	0.2
133.02979	1.3
135.04533	6.2
136.04875	0.2
137.02510	0.6
155.03494	0.6
161.02446	2.0
163.04042	0.6
166.02652	0.2
171.03012	0.3
173.04575	7.7
177.01930	0.2
179.02048	0.3
179.03528	4.9
189.10129	0.2
190.44975	0.2
191.05652	100.0
192.06064	0.7
241.00252	0.2
285.03961	0.2
293.12534	0.4
351.07288	0.6
353.08875	16.2
356.20819	0.2
376.44904	0.2
443.19293	0.2
638.13391	0.2
684.55383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21570	0.4
59.01390	3.3
61.84344	0.4
61.98837	0.6
63.99013	0.4
71.01386	1.7
73.02941	0.6
82.95427	0.5
85.02977	2.0
88.98801	1.0
89.02489	0.8
93.03471	2.0
95.01376	0.7
96.92285	0.4
96.95985	0.6
101.02427	0.9
107.04992	0.5
109.02977	1.8
113.02456	0.6
119.03507	0.5
119.05035	0.8
121.02964	22.6
123.00876	0.8
123.04515	0.6
134.03752	0.5
135.04543	13.8
137.02483	4.3
139.00398	0.6
139.04094	0.6
145.03024	0.9
149.02466	37.0
150.03192	0.4
151.00352	6.7
151.04034	0.9
161.02539	0.5
164.04825	100.0
165.01884	0.6
165.05521	0.7
165.69818	0.4
166.02753	17.8
167.03482	0.8
173.04619	1.0
175.04057	0.6
176.04764	0.5
177.01938	1.0
177.05621	0.5
178.48322	0.4
179.07167	46.0
181.05107	17.1
187.04155	0.5
191.03552	0.7
191.05606	2.3
192.04375	0.6
193.05107	0.9
201.11427	0.6
205.05174	0.8
209.11937	4.8
218.05763	0.6
220.07529	0.5
221.08336	0.6
315.81177	0.6
339.08795	0.8
357.09738	0.5
358.10678	0.6
372.12463	1.1
373.13031	1.8
387.10376	3.8
387.15234	3.2
402.13098	0.6
403.14224	0.7
417.15689	15.5
433.15140	8.7
527.73309	0.7
567.22424	1.7
597.23517	22.0
629.31458	0.6
759.36011	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	759.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.7
61.97701	0.2
64.37218	0.3
68.16206	0.2
71.01395	1.1
72.99302	0.3
75.00885	0.4
75.78908	0.3
76.64948	0.3
83.68853	0.2
85.02954	0.5
87.00892	1.0
89.02453	0.4
93.03474	1.0
97.49197	0.2
100.91660	0.2
101.02485	0.3
107.05053	0.6
113.02460	0.3
117.03462	0.3
119.05049	0.6
121.02972	4.3
129.01965	0.5
134.03746	2.4
135.04541	100.0
136.04939	0.4
137.02467	0.3
139.04065	0.3
147.04486	0.3
147.46559	0.3
149.09863	0.3
160.01711	0.4
163.04091	0.3
167.22820	0.3
173.04593	1.2
175.04004	1.1
179.03522	91.8
191.05589	1.8
193.05099	0.6
205.12460	0.3
226.71338	0.3
245.85097	0.3
251.38399	0.3
341.08838	39.8
342.09283	0.4
355.10678	0.4
412.63507	0.2
431.12363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
59.11874	0.3
71.01054	0.3
71.01369	2.4
73.02954	2.9
78.95945	0.4
95.28323	0.3
99.00880	0.8
99.92585	7.5
114.93431	1.6
115.00388	0.5
116.92863	100.0
117.01955	3.8
117.92888	1.3
127.83752	0.3
134.79208	0.3
145.02937	0.8
145.16628	0.4
156.54324	0.4
171.10237	0.5
197.13066	0.3
269.47766	0.3
277.21799	1.8
278.22302	0.7
616.83813	0.4
673.15802	0.4
677.20203	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	759.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64228	0.1
57.03476	0.2
59.01393	1.1
71.01397	0.8
73.53741	0.2
78.95934	0.2
83.05034	0.2
85.02952	6.0
87.00863	1.3
93.03455	3.2
96.19949	0.2
99.04539	0.2
108.02183	1.3
109.02956	1.6
111.04536	1.1
127.04012	1.5
130.77631	0.2
133.02974	1.7
135.04541	1.2
152.01183	0.8
153.01935	1.2
155.03403	0.2
161.02466	1.9
171.02985	0.3
173.04602	1.6
177.01987	0.2
179.03548	0.7
191.05638	100.0
192.06021	0.7
204.01979	0.2
243.10054	0.2
291.44141	0.2
315.07214	1.6
351.07220	0.8
353.08804	10.2
382.30084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83404	0.4
59.01396	2.8
67.01902	0.5
71.01387	1.1
71.60215	0.4
73.02949	0.5
81.03460	0.7
83.01401	0.7
85.02946	7.4
87.00894	5.8
89.02467	0.5
90.16159	0.6
92.65271	0.5
93.03457	4.6
101.02457	0.8
109.02993	0.8
111.00869	4.0
111.04507	0.7
113.02491	0.5
119.05051	3.5
122.03752	0.9
123.00914	0.8
125.02452	0.5
127.04031	2.8
128.24532	0.5
133.02980	2.4
135.04549	2.2
149.02483	3.0
150.03255	7.2
151.03986	2.3
161.02478	2.4
163.04015	2.4
164.04765	1.1
165.05585	8.7
166.02713	0.8
173.04561	2.0
175.03978	0.8
176.04779	0.6
179.03516	1.9
179.07285	0.6
180.04257	0.8
181.05035	1.2
191.05640	100.0
192.05994	8.2
193.06213	4.2
194.05826	1.1
195.06665	4.1
209.08258	1.2
231.03223	0.6
262.04984	0.9
264.06561	0.8
277.07199	0.9
312.44830	0.5
337.09390	2.1
351.07346	0.9
353.08875	9.1
354.09332	1.2
369.13205	0.7
371.80038	0.5
461.14569	0.8
490.90445	0.6
533.17175	0.7
579.17126	4.2
671.08136	0.6
759.23724	7.4
785.94946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50835	2.2
59.01388	5.4
59.65934	2.4
61.98849	3.1
71.01386	73.8
75.57838	2.8
171.10262	45.2
207.10295	4.2
225.11296	2.8
253.09425	4.2
255.23318	40.6
271.28516	3.1
277.21765	100.0
600.32849	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	757.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00419	4.0
56.98844	4.5
60.83905	5.4
73.83002	5.5
78.64671	5.1
78.95895	59.8
80.78539	5.1
107.37535	4.8
136.50475	5.3
152.99593	76.3
162.79407	5.4
171.00746	8.1
195.14003	5.6
227.03273	9.2
235.17082	7.1
239.81268	5.1
253.21669	10.0
255.23228	5.1
275.20221	23.0
293.21234	60.0
319.18124	5.5
521.25366	100.0
757.46637	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55051	2.1
59.01394	12.4
61.98825	4.0
70.51208	2.0
71.01384	85.3
87.00854	2.6
89.02491	2.6
101.02466	3.2
109.06615	3.6
116.92886	2.8
129.30667	2.4
171.10280	100.0
184.83636	2.7
199.09848	5.0
201.11288	4.3
207.10271	12.6
210.51283	2.4
225.11317	5.0
246.65782	2.5
253.09395	3.1
255.53732	2.4
257.00333	2.6
277.21790	60.5
291.54315	2.8
360.00571	2.7
399.87155	2.6
736.69019	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	757.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	11.7
59.71878	1.7
66.11437	1.4
71.01389	94.6
73.02956	2.0
89.02445	2.2
97.28818	2.0
101.02435	4.5
109.06612	11.2
125.09716	3.8
163.11310	4.5
171.10286	100.0
199.09750	16.2
201.11305	4.6
207.10329	28.1
225.11398	15.7
253.09250	10.0
255.23311	9.4
277.21771	85.8
293.47775	2.1
345.54739	1.9
461.20300	3.3
721.42004	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	757.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	8.0
59.93748	0.9
71.01385	100.0
73.02962	1.8
83.01431	1.5
84.45644	1.0
84.46286	0.9
85.02947	1.3
89.02460	2.5
92.10176	2.8
97.02955	1.0
101.02448	5.2
105.08730	0.9
109.06595	2.3
113.02455	1.2
127.11306	1.4
163.11310	1.5
171.10286	75.7
181.12321	1.1
199.09776	6.5
201.11351	5.0
207.10277	10.9
225.11417	7.5
235.08263	1.5
253.09331	9.1
255.23334	5.8
277.21768	92.7
320.48911	1.1
477.86407	1.2
653.46301	1.2
668.31799	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04404	2.6
59.01390	12.4
71.01384	81.3
92.10107	7.5
101.02458	4.3
102.25570	2.6
109.06586	4.6
114.39880	2.9
116.55698	2.5
127.11275	3.0
127.95818	2.9
163.11351	4.1
171.08821	3.5
171.10284	100.0
199.09773	17.3
207.10298	31.3
225.11336	15.2
253.09273	5.5
277.21783	76.4
289.31244	3.0
362.16013	3.2
487.45764	3.0
562.93024	2.9
705.92432	3.7
721.42230	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	757.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88154	6.5
59.01410	7.7
61.98838	40.4
88.98814	48.0
111.02917	7.7
116.60485	6.6
116.92915	10.8
199.13364	12.3
207.10274	49.4
217.49596	7.8
225.11519	9.5
253.09378	10.8
260.01572	7.1
277.21823	100.0
282.81223	7.5
423.79999	7.3
642.80829	8.6
721.42114	53.2
757.39227	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	757.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	20.0
84.86105	15.6
88.98830	20.5
108.82469	17.3
134.24316	19.5
136.77428	18.6
154.71869	18.0
199.13445	100.0
207.10313	75.3
257.36453	20.0
275.47949	21.1
277.21692	83.5
279.22720	23.9
287.82086	20.4
431.35406	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	757.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23911	22.6
61.98857	100.0
63.17630	21.7
64.34853	26.3
76.74298	20.3
87.66923	22.9
92.10102	59.8
95.59672	25.0
109.08797	25.1
116.92860	61.7
225.11383	48.0
277.21741	89.4
395.53116	23.2
721.41492	37.6
757.39624	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	5.4
61.98831	3.7
70.92948	2.3
71.01392	61.2
71.59307	2.8
82.03991	2.6
89.02479	2.8
92.90936	2.8
127.11331	4.2
144.69897	2.6
146.12434	2.8
152.17653	3.0
171.10327	34.9
199.09839	6.4
201.11435	4.1
207.10255	4.1
225.11322	2.9
227.04257	3.2
253.09314	3.4
271.36325	2.8
277.21768	100.0
312.79681	3.5
329.44357	3.3
566.67169	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	757.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11234	2.0
57.03440	3.0
58.02479	2.4
59.01385	28.9
71.01380	23.2
73.02942	4.5
81.03438	3.1
83.05035	4.7
85.02977	10.4
89.02460	5.5
89.19737	2.5
92.09994	4.0
93.03455	4.2
95.61121	2.7
101.02436	13.3
109.06590	15.2
113.02482	5.2
117.03488	10.9
119.04935	2.5
121.02938	16.1
133.02879	3.7
137.02541	3.5
145.02948	27.3
161.02464	5.7
161.04570	3.2
163.11311	20.5
171.10321	3.4
173.04503	4.8
181.12303	4.6
183.13835	11.3
185.11794	2.9
191.05553	3.9
195.13919	6.1
207.10265	47.9
209.11868	100.0
213.14996	41.8
225.11421	22.4
227.12955	13.4
253.09167	5.6
461.20258	9.6
543.28137	17.3
543.83759	2.8
635.31274	4.0
671.33032	16.3
706.05267	2.9
765.05414	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	757.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	34.2
61.98843	4.1
71.01392	22.4
73.02964	2.8
82.95403	4.0
83.01398	2.1
83.62068	2.3
84.02164	2.1
85.02951	9.5
89.02438	3.2
92.10101	5.3
93.03492	3.9
96.42098	2.5
96.96036	3.2
97.02930	5.1
99.00869	3.2
101.02437	11.7
108.02162	2.4
109.06609	19.5
113.02441	12.6
116.92890	3.0
117.03471	4.5
119.38662	2.2
121.02946	13.4
135.08247	4.1
137.02451	3.4
145.02992	32.4
146.03340	2.9
146.51511	2.6
161.04613	4.0
163.11314	12.5
173.04623	3.6
179.63507	2.3
183.13873	6.1
189.42441	2.4
191.05585	5.3
195.13942	5.0
207.10281	52.3
209.11893	100.0
213.15005	45.8
225.11360	28.2
227.12872	16.0
253.09261	12.3
417.22766	2.9
461.20377	9.9
543.28217	14.4
635.30865	5.3
671.33356	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	757.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61549	0.8
59.01385	13.4
61.98832	8.0
62.77356	1.0
69.03458	1.2
71.01407	2.4
75.00864	1.1
83.01414	1.1
85.03004	1.7
87.00877	1.4
89.02490	1.4
90.92344	1.0
92.10124	1.9
93.03471	1.4
95.04999	1.0
96.96017	2.3
97.02965	1.2
99.00900	0.9
101.02467	1.9
109.02985	1.4
117.03464	42.4
119.05028	16.8
120.05385	2.4
121.02995	5.4
125.09688	2.2
133.02966	1.2
137.02428	1.6
145.02962	100.0
153.75418	1.1
161.02464	1.1
163.04005	9.6
163.11293	2.4
164.04445	1.9
165.63898	1.1
171.10397	1.7
173.04536	1.9
177.01927	6.4
179.10768	1.7
181.12387	3.6
191.05750	1.5
191.10785	3.6
193.70387	1.2
197.11780	1.4
201.42476	0.9
207.10295	6.6
209.11861	23.9
223.09727	2.3
225.11348	6.5
227.12943	1.6
235.09772	1.4
235.13176	1.0
235.15575	1.0
327.14423	1.1
415.24020	1.2
430.11746	1.1
537.26984	1.5
644.15283	1.1
681.31580	1.8
697.20068	12.5
697.30975	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.4
59.01384	4.3
60.99328	0.4
64.53008	0.2
67.01890	3.6
67.53887	0.2
69.03468	0.4
71.01379	3.0
71.70515	0.2
73.02958	0.4
77.03969	1.1
78.65630	0.2
81.03436	0.6
83.05045	0.4
85.02949	2.4
87.00872	6.5
89.02442	0.5
89.04005	0.3
90.84540	0.2
91.05590	0.3
93.03457	23.7
95.05020	4.5
99.00876	1.0
101.02442	1.5
105.03464	16.6
107.05057	1.1
109.02953	2.8
111.04527	4.2
112.82004	0.2
113.02460	0.6
117.03440	0.3
121.02920	1.1
123.04536	3.0
129.01950	0.4
132.02225	0.3
133.02962	100.0
134.03377	0.4
135.04535	11.6
137.02415	0.4
138.73965	0.2
143.10704	0.3
145.03009	0.9
149.02524	0.5
150.03235	1.5
151.03999	1.5
155.03549	1.4
161.02492	0.6
163.04044	0.5
173.04572	17.4
177.01958	25.4
179.03482	3.3
180.30104	0.3
189.11380	0.5
191.05637	14.9
196.06183	0.3
215.05650	11.6
215.07741	0.4
237.10060	0.3
242.25029	0.2
260.24020	0.3
265.12848	0.3
307.08292	1.5
351.07278	39.5
351.16412	3.5
401.18509	0.2
422.06448	0.3
512.40906	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.0
61.13744	0.3
65.08965	0.3
67.01895	0.4
71.01404	0.5
75.25658	0.3
75.91325	0.2
85.02972	7.4
87.00889	2.1
91.71375	0.3
93.03457	5.0
96.96043	0.5
105.03432	0.4
109.02996	1.2
111.04536	1.3
119.05052	0.7
127.04032	2.1
133.02965	6.1
135.04526	2.6
152.01318	0.3
161.02432	1.9
170.39317	0.3
171.03078	0.5
173.04559	2.7
177.01965	1.3
179.03513	0.7
191.05643	100.0
192.05983	1.9
215.05641	1.3
233.72946	0.4
351.07224	3.4
353.08810	11.8
353.12973	0.5
432.36499	0.3
468.90012	0.3
535.24347	0.3
571.58002	0.3
628.25537	0.3
666.97931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82934	0.3
55.75723	0.3
57.03446	0.4
58.43479	0.3
59.01379	3.1
60.99308	0.9
67.01887	3.2
69.03461	0.6
71.01379	2.6
77.03985	0.8
81.03463	0.8
83.05095	0.4
85.02967	1.8
87.00877	7.5
89.02425	1.5
89.03960	0.6
93.03455	21.9
95.05014	4.5
97.32946	0.4
101.02464	0.8
105.03465	15.8
107.05056	0.5
108.02153	0.4
109.02967	3.7
111.04539	4.7
113.02428	0.5
118.58147	0.4
121.02969	0.9
123.04520	2.2
129.01955	0.7
133.02962	100.0
134.03732	0.8
135.02966	0.4
135.04526	11.8
137.02428	0.9
144.72275	0.3
147.04530	0.5
149.02428	0.6
150.03226	2.0
151.04030	0.5
155.03558	1.5
161.02516	0.7
163.03972	0.7
173.04561	18.0
177.01944	27.6
179.03481	3.7
189.11375	0.4
191.05638	17.0
193.05098	0.6
215.05632	11.0
278.36768	0.4
307.08255	2.2
351.07272	50.2
351.16260	3.4
352.08026	0.6
387.84805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82214	0.4
56.34813	0.4
57.42432	0.4
59.01401	2.8
63.02413	0.7
65.00353	0.6
71.54301	0.4
73.02940	0.4
74.47031	0.4
75.00913	0.5
79.95860	0.4
83.01415	0.6
85.02985	0.5
87.00896	0.7
89.02422	0.7
93.03459	4.4
96.96020	0.9
101.02467	0.6
107.01424	3.7
108.02197	0.9
109.02982	2.9
117.03494	0.7
119.01479	0.6
119.05025	2.2
121.02972	9.2
123.04551	0.6
131.04999	0.6
132.02200	0.4
134.22270	0.6
135.00876	1.8
135.04530	0.7
137.02501	0.9
141.07118	0.5
143.05054	2.8
145.03020	0.6
148.51007	0.5
151.00403	4.0
152.01192	1.7
153.01985	2.1
157.06569	0.5
159.04515	3.3
161.02399	1.1
163.00375	2.9
163.04048	0.8
167.05070	0.9
169.06604	0.9
171.04538	1.0
173.04591	0.7
183.04489	0.7
185.06148	3.4
187.03990	4.9
189.05658	1.8
191.05609	2.7
197.06216	1.7
209.11880	1.0
210.06879	3.4
211.04359	4.0
211.07698	30.7
213.05592	3.4
227.03549	29.3
229.05103	15.8
237.09253	0.8
239.03560	2.1
240.04353	0.9
241.05092	2.2
241.95245	0.5
243.03207	0.6
255.03029	51.8
256.03757	4.6
257.04642	9.1
265.08698	1.7
267.03000	0.9
283.02512	0.6
284.03311	77.7
285.04095	100.0
327.08978	0.6
447.09409	57.3
593.13403	0.6
713.18823	4.2
757.17938	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	757.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91647	0.6
54.93930	0.5
57.03460	0.7
59.01389	6.9
61.98840	0.9
63.02410	2.3
65.00330	1.0
67.01915	0.6
71.01385	4.4
73.02964	0.6
73.48271	0.6
75.00891	2.4
77.79023	0.6
83.01400	1.4
85.02959	1.4
87.00878	1.0
89.02449	1.4
93.03482	7.6
95.01369	1.0
96.96024	0.8
101.02463	1.3
107.01420	4.0
108.02174	1.4
109.02984	3.1
111.04515	0.8
117.03487	3.0
119.01479	0.7
119.05035	30.9
119.42593	0.6
121.02967	9.8
134.03825	0.6
135.00914	2.9
135.02977	0.9
135.04558	4.6
137.02452	1.1
143.05069	0.8
145.02983	8.7
149.00729	2.6
151.00372	6.9
152.01131	1.1
153.01912	1.1
157.06554	0.9
159.04643	1.2
161.02504	0.8
161.06119	1.1
163.00392	3.3
163.04025	10.7
164.01195	0.8
169.01514	0.9
169.06656	1.4
171.04465	0.8
173.04587	3.2
175.03984	0.9
177.04089	0.9
183.04619	0.9
185.06111	5.0
187.04002	4.4
189.05473	1.3
191.05675	6.1
197.06094	1.1
210.06996	0.6
211.04027	3.2
211.07657	9.3
213.05673	3.0
221.68291	0.8
223.07805	1.3
227.01263	1.3
227.03540	35.6
229.05095	14.7
239.03551	2.2
241.05032	2.4
255.03038	55.6
256.03702	6.1
257.04617	7.6
284.03302	62.9
285.04092	100.0
286.04370	1.3
307.08295	1.0
309.53735	0.7
405.09973	0.9
447.09518	18.5
447.15445	0.7
471.12613	1.1
535.31702	2.6
593.13177	22.5
613.23285	0.8
713.18439	5.3
757.17786	11.6
757.28394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35943	1.0
59.01400	2.8
63.41586	1.2
67.06332	1.3
70.71935	1.1
71.01387	1.3
78.41816	1.3
83.05025	2.0
86.54336	1.2
101.02460	1.3
123.24668	1.2
163.11272	2.9
165.12856	2.4
209.11870	100.0
227.12927	7.7
235.08206	2.0
253.09378	5.7
277.21771	72.4
368.26883	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34524	4.1
59.71759	4.9
61.71907	3.8
61.98836	11.2
67.50254	4.1
128.62776	4.4
138.32213	5.5
211.76372	5.1
277.21689	12.2
332.15335	4.7
455.35535	100.0
569.01141	5.8
667.04388	6.1
755.55963	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52857	0.5
60.43866	0.5
61.98835	100.0
69.88206	0.7
113.46687	0.6
120.07449	0.6
172.05405	0.6
420.70544	0.7
532.16064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	1.1
58.01905	0.8
59.01388	11.2
61.98843	1.6
63.02417	1.6
65.51598	0.8
66.80796	0.8
71.01382	7.5
73.02983	1.9
75.00893	4.1
83.01382	1.0
85.02972	4.0
87.00888	1.7
89.02467	4.0
91.01924	1.0
92.66118	1.0
93.03465	10.6
96.96002	1.6
101.02463	4.4
104.46880	1.0
107.01404	5.2
108.02167	1.9
109.02940	4.4
113.02476	1.3
117.03455	1.2
119.05023	23.8
121.02974	11.4
133.02983	1.1
135.00876	1.8
135.02922	1.2
135.04527	7.0
137.02533	1.7
143.05026	2.0
145.02956	6.4
149.06203	1.4
151.00371	6.6
152.00043	1.2
152.01180	6.6
153.01907	2.1
159.04489	2.3
160.01653	1.3
161.02486	1.7
163.00375	1.8
163.04073	7.5
173.04570	2.5
177.04005	1.4
185.06056	4.9
187.03986	4.7
189.05489	1.6
191.05623	8.9
197.06056	1.3
199.03973	1.3
211.04170	2.6
211.07695	14.6
213.05574	1.4
227.03525	33.5
228.04062	1.3
229.05112	17.2
239.03394	1.7
241.05043	1.8
255.03030	57.8
256.03683	7.1
257.04617	8.8
265.08612	1.6
284.03320	69.6
285.04092	100.0
299.05945	1.3
309.07782	1.1
325.11197	1.2
371.24454	1.9
447.09476	28.8
593.13135	16.8
713.19061	6.5
757.17480	8.9
757.30420	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37225	3.4
59.01403	14.2
71.01394	5.4
76.80283	3.1
81.66286	2.8
83.05048	3.3
85.02985	3.2
92.92822	12.6
97.02951	3.1
101.02469	4.8
126.93931	3.3
163.11304	5.6
169.12413	3.8
171.10307	5.3
181.67982	2.9
197.11905	31.0
209.11885	100.0
211.13380	3.9
225.11342	3.5
227.12869	17.1
253.09293	12.3
291.19696	16.6
309.20831	36.7
788.79120	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	755.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96362	5.6
59.01385	10.5
61.98838	43.6
73.34968	5.0
73.82844	6.7
78.91901	100.0
91.81022	5.4
92.10080	26.8
99.00874	9.4
117.29807	5.2
119.03374	7.1
165.12917	10.2
183.13907	40.3
197.11919	9.2
207.10234	22.4
209.11867	6.8
225.11363	33.4
243.12425	6.8
293.21060	7.2
309.20770	11.1
461.55124	5.9
586.74933	6.2
651.57141	7.7
755.42657	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78105	67.2
58.95607	59.2
61.73114	61.4
66.42393	60.8
80.40427	77.5
88.14346	70.2
88.71813	66.7
90.29108	65.3
100.33312	76.8
116.04322	72.2
170.08958	76.7
174.82007	77.4
272.98557	81.3
274.40317	71.0
281.92038	79.1
470.85361	100.0
499.17270	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.1
59.01374	15.3
61.98840	12.8
71.01388	4.2
75.00874	2.0
78.91892	27.5
83.05056	2.0
89.02447	3.7
97.02979	3.0
97.06644	2.4
99.00868	3.5
101.02454	5.1
111.08176	10.4
165.12860	11.7
169.12286	3.6
171.10312	5.2
181.12381	3.0
183.13914	100.0
197.11880	31.6
199.13374	2.8
202.45314	2.1
207.10258	4.0
209.11852	5.3
211.13448	4.0
225.11345	13.2
227.12923	2.9
253.09280	9.9
291.19684	10.7
309.20801	9.5
755.42395	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50976	3.0
58.13541	2.6
58.74666	2.5
59.01398	21.6
61.98849	4.0
65.42749	2.6
71.01406	3.4
75.45697	2.9
86.02769	2.9
111.08215	4.3
116.92864	37.0
171.10265	6.5
197.11925	34.4
198.91116	3.1
209.11885	100.0
211.13408	5.4
227.12933	17.6
253.09395	5.9
291.19669	16.6
309.20761	37.0
578.53503	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	755.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03486	0.7
59.01397	7.6
61.98836	1.1
65.17039	0.4
71.01414	4.1
80.02682	2.2
81.03481	1.2
83.05036	6.6
84.02223	0.7
89.02458	3.0
96.96034	0.8
97.02964	1.1
101.02438	3.0
111.08170	4.4
113.02467	2.6
140.93835	0.5
147.72386	0.5
155.54047	0.6
161.04559	1.3
163.11316	5.2
165.12822	3.9
169.12372	1.2
171.10274	2.4
181.12335	2.1
183.13983	0.5
191.10770	0.7
197.10190	0.9
197.11873	19.3
199.13472	0.8
209.11879	100.0
211.13446	3.4
225.11292	1.2
227.12933	9.4
235.08261	0.8
249.15041	1.1
253.09346	10.3
263.20218	1.1
268.61142	0.6
291.19696	10.4
293.21384	0.7
309.20782	27.0
327.83099	0.6
339.87839	0.5
370.47018	0.6
404.75946	0.6
505.79175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.6
59.01392	1.7
59.15654	0.1
60.99313	1.7
67.01896	5.0
69.03459	1.4
71.01388	2.3
71.60484	0.1
73.02963	0.2
81.03477	1.2
83.05033	1.0
85.02953	4.9
87.00874	8.1
89.03945	0.2
93.03459	34.6
93.82018	0.2
95.37067	0.1
99.00904	0.9
99.04527	0.8
101.02476	0.2
109.02955	0.8
111.04530	5.4
113.02451	0.9
117.03482	1.6
121.02998	0.3
127.03156	0.1
127.04005	1.5
129.01917	1.2
129.54779	0.2
134.03749	14.0
137.02457	0.4
139.30699	0.2
143.03485	0.2
149.06108	1.0
155.03545	1.2
159.10402	0.1
160.01671	0.3
171.03053	0.3
173.04568	11.3
175.04042	0.9
178.02769	0.2
191.05640	100.0
192.06003	1.3
193.05063	6.5
220.15933	0.2
226.48418	0.2
273.10489	0.2
285.04025	0.2
337.09457	0.4
367.10406	30.1
368.10745	0.8
582.02295	0.2
762.37122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86547	12.0
55.10137	10.9
55.42008	12.1
55.81031	13.5
59.01389	19.9
61.98828	18.1
64.34488	16.2
65.63184	13.8
66.20155	11.9
72.53884	14.0
87.00884	100.0
99.95367	15.0
132.27510	15.5
291.71765	14.4
471.35217	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47194	0.1
55.27833	0.1
57.03457	0.7
59.01387	1.9
60.99320	1.1
67.01894	4.9
67.96513	0.1
69.03458	1.2
71.01382	2.9
71.29137	0.2
73.02948	0.2
78.09541	0.1
81.03482	1.2
81.03857	0.1
81.96773	0.1
83.01393	0.1
83.05018	0.9
85.02956	5.2
87.00880	6.1
89.02450	0.7
92.10085	0.2
93.03460	30.1
97.02949	0.2
99.00887	0.7
99.04507	0.6
101.02462	0.3
109.02968	0.9
111.00915	0.2
111.04530	6.3
113.02458	0.9
115.04116	0.2
117.03468	0.1
119.05032	12.0
121.02957	1.0
127.04017	1.7
128.83534	0.1
129.01947	0.7
133.02960	0.5
135.04521	0.5
137.02446	1.6
139.31398	0.1
143.03593	0.2
145.02969	1.6
155.03526	2.1
163.04024	12.6
171.02998	0.5
173.04567	29.9
177.02196	0.1
177.04073	0.1
190.46758	0.1
191.05643	100.0
192.05994	0.6
287.06808	0.2
295.10324	0.2
307.13904	0.4
337.09366	28.8
338.09521	0.2
351.07401	0.1
353.08865	0.5
382.77057	0.1
500.74902	0.2
616.58899	0.1
709.86218	0.2
772.15088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85585	0.4
55.01897	0.8
57.03458	0.6
57.11359	0.4
58.00592	0.5
59.01387	100.0
67.64526	0.4
69.03458	5.3
70.96637	0.4
71.01385	35.1
71.98451	0.4
72.99313	1.8
73.02948	57.1
75.00889	1.1
81.03471	0.5
83.01395	11.3
85.02976	4.2
87.00865	0.5
89.02452	11.3
92.93987	0.5
93.03484	1.8
95.01401	1.0
97.02944	0.9
99.00836	0.7
101.02450	40.0
103.34219	0.6
113.02467	13.4
119.03513	3.6
119.04999	0.6
121.02962	21.8
122.03761	3.7
125.02454	2.0
131.03516	3.7
135.04512	0.8
137.06107	3.4
143.03523	2.9
149.04538	5.8
155.03581	0.9
161.04573	11.4
185.00948	0.7
191.05637	3.0
203.05655	0.7
204.28284	0.5
221.06718	3.5
284.35638	0.5
307.04642	2.0
385.15222	0.9
455.89667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61360	0.2
57.03454	1.0
59.01396	2.3
60.12895	0.2
60.99325	1.7
67.01559	0.4
67.01904	5.2
69.03466	1.7
71.01395	2.4
81.03474	1.3
83.05041	1.2
83.36810	0.2
85.02962	6.0
86.59502	0.2
87.00886	7.8
93.03462	36.8
97.34696	0.2
99.00893	0.7
99.04516	0.4
101.02480	0.3
109.02962	0.8
111.04536	5.6
112.64293	0.2
113.02451	0.4
115.04025	0.4
117.03464	1.2
121.03002	0.2
126.24702	0.2
127.04005	1.8
129.01939	1.2
134.03749	13.9
137.02422	0.3
148.28542	0.2
149.06082	1.1
155.03534	1.2
171.03047	0.4
173.04572	10.4
175.04034	0.8
175.80611	0.2
178.02615	0.4
191.05641	100.0
192.05940	0.4
193.05074	6.3
243.77223	0.2
256.86853	0.2
285.04123	1.1
336.04288	0.2
366.59869	0.2
367.10394	31.5
368.11002	0.2
612.53168	0.2
632.57648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14546	0.1
55.98901	0.1
57.03461	1.0
58.00605	0.2
59.01393	2.2
60.13613	0.2
60.99315	1.3
67.01908	5.5
69.03464	1.4
71.01385	2.6
72.99316	0.2
73.02949	0.3
77.75432	0.2
81.03453	1.4
83.01401	0.2
83.05043	1.1
85.02962	5.5
87.00882	6.8
89.02434	0.3
93.03465	34.6
99.00911	0.8
99.04533	0.9
101.49546	0.2
102.27132	0.2
109.02953	1.2
111.00887	0.3
111.04530	6.2
113.02464	0.8
119.05033	15.1
121.02956	1.5
127.04018	1.7
129.01973	1.0
130.35626	0.2
135.04538	0.3
137.02441	2.4
145.02995	1.9
155.03514	2.7
163.04030	15.0
171.03078	0.3
173.04567	41.6
175.22844	0.2
191.05646	100.0
223.07648	0.2
226.78185	0.2
250.06763	0.2
337.09363	35.4
338.09802	0.3
353.45676	0.2
417.13980	0.2
675.19684	0.3
682.07520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	12.5
61.98833	6.4
71.01390	4.1
72.21528	0.8
82.95416	0.9
83.04955	0.8
85.02973	1.0
89.02438	0.8
95.01365	0.8
96.96007	0.7
99.38745	0.7
101.02454	0.9
105.03458	1.0
109.06676	0.8
115.46087	0.9
117.03459	2.9
121.02960	4.8
132.02161	4.8
133.02969	58.1
135.04520	3.5
137.02452	1.0
145.02953	7.3
160.01532	0.7
161.02460	100.0
163.04036	0.9
179.03575	1.3
191.05786	0.9
207.10164	1.2
209.11877	3.8
213.14973	1.1
269.79855	0.8
414.91693	0.7
434.12952	0.7
695.18890	1.1
713.19757	3.7
755.20813	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	755.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82817	0.3
57.16821	0.3
59.01389	12.7
60.71319	0.3
61.98843	1.7
65.52381	0.4
71.01396	0.9
73.02963	0.5
82.95432	6.8
85.03022	0.4
89.03999	0.4
95.46367	0.4
97.03000	0.6
104.02688	0.4
105.03461	0.6
115.23883	0.3
117.03460	0.9
121.02986	2.8
132.02203	3.9
133.02972	47.3
135.04433	0.4
161.02467	100.0
162.02794	0.5
177.01950	0.4
179.03508	0.6
197.11916	0.5
207.10353	0.5
209.11880	2.3
225.11455	0.4
342.36734	0.4
343.34164	0.4
360.90933	0.4
477.94119	0.4
713.19745	1.7
755.20532	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	755.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13044	0.6
56.77823	0.7
57.03461	1.1
59.01391	3.1
61.75728	0.6
68.99831	1.0
71.01389	4.2
71.97466	0.8
72.99310	1.2
73.02953	5.0
76.57541	0.9
77.75858	0.9
83.01400	1.2
85.02953	6.4
87.00883	34.5
89.02482	0.9
92.10191	1.1
97.02945	1.1
97.11217	1.0
99.00904	0.9
101.02451	5.2
108.02185	1.0
113.02463	1.1
117.05621	1.4
121.02998	1.2
123.00882	1.8
135.04535	1.5
137.02522	1.5
138.03209	0.9
149.02466	1.6
151.00385	1.0
151.04045	0.8
153.05614	1.1
161.02429	4.1
163.04015	11.5
164.04794	9.2
165.05566	1.2
166.02673	4.3
175.04062	0.9
176.04799	8.0
177.01964	1.4
177.05516	1.1
178.06374	14.6
179.03540	5.8
179.07155	20.0
181.05075	5.2
187.04037	1.3
191.03531	12.8
191.05629	10.8
191.07201	4.6
192.04303	3.4
193.05055	4.7
193.08707	3.5
194.05847	5.5
203.03520	4.6
204.04199	0.9
205.05127	7.0
206.05861	4.7
207.03087	1.2
207.06673	1.0
208.07375	1.1
208.20511	1.0
209.08240	7.8
218.05931	3.4
219.03012	4.9
219.06587	0.9
221.04733	2.9
221.08333	6.5
222.05347	1.4
234.05396	3.3
235.06183	1.5
236.06915	1.1
237.07817	2.9
238.04892	1.1
247.02515	4.0
247.06169	1.8
249.07729	5.1
250.04959	1.0
251.09317	4.1
261.07727	1.0
262.04944	6.7
265.07217	38.8
277.07196	21.8
295.08249	22.0
313.09366	4.5
355.10425	4.4
383.09949	4.0
401.10962	100.0
402.11212	1.8
429.16370	0.9
441.16489	1.1
557.18829	0.9
694.89465	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	19.7
71.01385	1.6
78.48067	1.2
169.12375	5.8
191.29756	1.1
194.81789	1.2
197.11868	63.1
222.27458	1.1
235.08249	1.5
253.09354	7.5
259.20868	1.5
277.21774	100.0
283.70718	1.3
460.19376	1.3
618.93878	1.3
780.88171	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82664	0.2
55.64055	0.1
59.01385	2.2
59.28918	0.2
61.98837	100.0
69.63893	0.1
71.01393	0.3
73.02940	0.2
106.69868	0.2
111.87737	0.2
112.78596	0.1
116.92853	0.2
117.05524	0.2
121.99150	0.2
141.91594	0.2
183.13756	0.2
191.05721	0.3
197.11842	1.0
198.12080	0.2
237.23389	0.2
436.41870	0.2
508.05713	0.2
533.85852	0.2
722.20435	0.2
754.41663	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	14.9
71.01384	13.5
71.46004	3.5
72.38231	3.1
75.50903	3.3
86.11404	3.6
89.02418	3.3
101.02459	5.8
116.92860	52.0
123.04527	4.1
125.09723	4.6
165.12865	8.1
183.13931	100.0
185.11864	4.9
186.49454	3.6
209.11887	25.0
225.11287	3.7
226.13432	3.9
227.12953	5.3
260.35083	4.0
265.14774	3.5
279.67892	3.7
289.18222	12.5
307.19171	5.5
316.83038	3.5
331.09274	3.5
524.01208	3.7
599.54993	4.6
624.19952	3.8
753.40765	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	34.5
60.73161	3.1
61.78142	3.5
61.98837	46.3
63.26546	3.3
71.01401	6.8
74.08192	3.8
83.26817	4.2
90.19597	3.5
97.02969	6.2
104.13421	3.6
109.06624	6.2
111.08218	5.5
116.92863	4.3
125.02474	4.8
163.11296	18.6
185.11917	4.7
197.11913	38.0
207.10260	39.2
209.11847	100.0
223.48357	4.3
225.11403	16.9
245.19150	4.8
253.09360	9.9
271.02985	3.9
289.18097	34.5
291.19504	9.0
307.19223	21.4
309.20715	17.7
471.40414	4.4
753.40741	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49294	2.4
59.01397	13.2
61.70586	3.1
61.98846	6.9
65.43713	2.9
67.56824	2.7
71.01378	5.4
71.11208	2.9
71.39910	2.7
79.07545	2.8
89.02441	3.7
92.10821	9.1
94.26489	3.1
101.02525	3.1
171.10257	13.0
179.10809	6.4
195.13786	3.4
197.11865	71.9
207.10236	5.3
209.11926	13.2
253.09177	4.4
275.20120	6.5
293.21313	14.7
370.13950	3.3
488.40726	3.3
501.32254	3.8
522.14972	3.2
585.11139	3.6
666.20667	3.8
753.40912	100.0
761.26855	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	752.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10457	0.1
59.01385	0.3
61.49306	0.1
61.98836	100.0
71.01386	0.7
73.02998	0.1
89.02472	0.2
93.03455	0.1
95.91621	0.1
98.29702	0.1
109.06596	0.1
113.02478	0.2
116.92896	0.2
117.92828	0.1
121.02966	0.3
135.04538	0.2
150.39455	0.1
184.83156	0.1
191.05579	0.3
201.11368	0.2
207.10207	0.2
209.11922	1.1
211.50102	0.1
470.79813	0.1
519.26837	0.2
772.04333	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	753.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30992	0.3
57.03456	0.4
59.01387	4.7
60.99314	1.4
64.34950	0.3
67.01896	5.7
69.03467	1.9
71.01382	2.8
73.02947	0.6
75.74250	0.3
79.47556	0.3
81.03460	1.8
82.11990	0.3
83.05058	1.1
85.02950	6.7
85.03400	0.5
87.00883	8.8
89.02461	0.4
93.03458	37.7
99.00892	0.4
99.04539	0.5
108.02180	0.3
109.02975	2.0
111.04529	6.2
113.02487	0.6
117.03471	1.7
121.02973	1.6
125.02496	0.4
127.04021	2.0
129.01970	1.4
134.03748	15.5
137.02434	2.3
149.06134	1.4
155.03529	1.9
160.01801	0.4
162.87218	0.3
162.88786	0.3
163.04031	1.3
171.03035	0.4
173.04564	29.1
175.04007	1.1
177.04089	0.6
178.02650	0.3
184.07372	0.3
191.05643	100.0
192.05974	0.4
193.05084	10.7
269.66705	0.3
367.10419	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83801	2.0
58.36950	1.9
59.01387	20.5
61.98837	45.5
71.01387	33.5
77.22517	2.0
81.03427	2.3
83.05053	3.4
85.02974	3.9
86.01286	2.1
89.02457	4.4
93.03471	3.4
97.02956	3.0
101.02477	2.8
109.06606	13.9
113.02444	4.4
115.52674	1.9
119.03522	2.5
121.03006	8.1
128.11232	2.5
141.69937	2.3
142.79187	2.1
163.11292	12.5
171.10274	4.1
181.12354	2.7
191.05621	9.3
201.11264	3.7
207.10301	38.8
209.11882	100.0
210.12169	4.8
225.11366	28.8
227.12921	19.7
253.09395	10.0
380.17825	1.9
445.21112	3.0
461.20255	8.3
653.31958	2.4
671.33093	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	752.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74206	0.5
59.01391	8.5
61.98836	34.5
62.22810	0.6
69.03458	0.7
71.01378	8.7
73.02962	3.3
78.95921	1.3
81.03453	0.8
83.01376	1.0
83.05032	6.5
85.02952	1.5
87.00916	1.2
89.02442	4.9
89.22665	0.6
93.03449	1.4
95.05038	1.1
97.02943	1.2
101.02468	4.2
109.06622	2.7
113.02494	2.9
119.03525	0.9
121.03003	1.5
125.06106	1.0
125.09715	1.1
127.11320	1.4
133.02994	1.7
135.08209	1.1
137.02457	1.2
138.03258	0.7
147.58244	0.7
161.02451	8.0
162.02826	3.3
163.04036	0.8
163.11299	7.5
165.12833	3.3
171.10280	52.1
173.04565	1.1
181.12398	1.3
189.09189	1.0
191.05637	1.4
191.10777	1.4
197.11917	0.9
197.39526	0.8
199.09865	1.0
201.11331	14.1
207.10338	9.0
209.11861	100.0
210.12167	1.3
215.13046	1.0
225.11357	24.4
227.12912	11.3
235.08234	2.8
253.09302	8.4
269.55472	0.7
285.04120	1.2
407.19223	4.0
408.08661	0.8
443.19235	1.2
445.20740	4.9
461.20291	5.4
653.31836	5.9
671.33167	7.1
689.33252	1.1
725.31744	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	751.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03482	0.9
59.01390	27.9
61.98841	9.3
69.03483	0.9
71.01385	14.4
73.02964	1.3
83.01411	0.6
85.02973	4.2
87.00908	3.3
89.02445	15.6
93.03485	1.5
97.02950	1.3
99.00906	0.9
101.02441	10.8
113.02443	4.8
119.03531	3.5
121.02957	6.0
125.02456	3.4
134.45500	0.7
137.02495	0.8
139.04065	0.7
143.03470	1.1
149.75783	0.7
149.89935	0.6
158.05449	0.6
161.04594	1.4
173.04555	0.7
179.05698	1.3
179.14496	0.9
191.05672	1.0
195.13921	12.1
196.14719	0.8
197.11864	0.7
209.11775	1.3
211.13420	1.0
223.13428	7.7
235.08199	2.6
256.13229	1.4
270.39688	0.7
275.20239	7.2
293.21286	100.0
294.21497	1.1
314.71808	0.6
374.74844	0.6
397.13608	19.3
415.14713	23.8
654.28015	0.9
691.35980	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	748.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19814	2.8
53.79102	2.7
58.78344	2.9
59.01385	26.4
67.18756	3.6
70.50330	2.9
71.01397	6.9
73.41924	3.0
74.73063	3.0
79.35030	3.6
85.06085	3.3
85.34024	3.7
89.02472	16.8
100.65748	3.2
101.02469	4.9
113.02452	6.2
161.01816	3.4
225.22324	4.0
234.26147	3.8
320.58081	3.5
346.08609	3.9
532.47375	19.0
550.47968	4.8
712.53906	100.0
748.51471	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	8.3
57.03457	3.0
59.01381	28.0
59.01640	1.2
59.74259	1.3
64.35046	1.1
70.02369	1.2
71.01383	48.3
71.01785	2.0
73.02951	22.6
75.37853	1.1
83.01392	12.1
85.02950	33.6
85.03448	1.4
87.00873	1.3
89.02457	2.3
92.10138	1.3
96.95997	1.3
98.57246	1.4
99.00901	6.6
101.02443	42.7
103.22854	1.3
113.02456	19.5
120.83424	1.3
121.25146	1.1
125.02496	1.6
143.03557	1.4
144.20094	1.4
159.02995	2.7
161.04584	18.1
191.05618	13.4
241.14571	1.4
250.02182	1.5
269.10236	11.3
313.09351	100.0
684.47595	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	751.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.3
55.83336	0.2
57.03477	0.2
59.01386	100.0
69.03458	1.6
71.01041	0.2
71.01380	11.7
73.02947	19.1
75.00869	0.4
81.03467	0.9
83.01382	3.8
85.02943	2.7
89.02458	0.4
95.01415	0.3
97.02952	1.4
99.00879	0.3
99.04580	0.2
101.02446	16.6
113.01717	0.2
113.02465	5.4
115.03993	0.2
116.92870	1.0
125.02450	2.9
131.03525	1.7
140.45299	0.2
143.03502	3.7
155.03519	2.8
161.04538	1.6
166.27019	0.2
173.99715	0.2
174.79820	0.2
189.04121	0.2
203.05646	4.0
263.07803	0.3
330.23679	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80980	1.0
57.03476	1.7
59.01392	13.2
59.35345	0.9
71.01389	16.1
72.99306	4.7
75.00872	15.5
79.73463	1.2
83.01389	1.6
84.02182	1.1
85.02953	17.8
87.00878	5.2
89.02450	2.1
92.65788	1.1
95.01395	2.3
99.00885	9.0
103.00385	1.2
113.02460	19.2
115.00348	1.7
116.92840	6.4
117.01927	1.6
163.11278	1.3
164.78159	1.0
175.02399	1.6
209.11868	36.2
227.12920	1.2
246.07045	1.1
249.06155	2.0
255.23323	100.0
483.70303	1.1
505.29620	1.5
615.47711	1.2
715.42865	61.3
716.42792	1.5
747.45514	64.9
748.45862	1.7
767.72998	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31855	2.1
59.01387	21.2
71.01402	11.8
71.43636	2.3
72.19000	2.6
89.02456	17.0
101.02426	4.6
119.03502	4.1
147.75061	2.7
225.22333	3.1
254.11000	2.8
291.85818	2.7
338.78857	2.9
532.47491	17.3
550.48846	3.5
584.38977	3.5
712.53864	100.0
748.51593	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
78.72292	0.7
101.28781	0.8
105.10691	0.9
116.92837	1.0
139.45557	0.8
139.56178	1.0
247.03984	1.0
454.09375	1.1
455.17270	5.0
467.13800	1.2
473.18594	7.3
483.13187	1.3
496.13824	4.2
512.13330	12.7
526.15076	15.6
527.15790	1.1
565.90784	1.0
599.17950	1.5
601.19580	1.5
613.19659	3.4
614.20361	76.6
615.20599	1.1
632.17694	1.4
646.19501	9.0
687.23273	5.1
747.12054	1.8
747.25323	52.7
748.25439	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.3
61.49992	0.2
62.03384	0.2
69.03442	0.2
71.01382	18.1
85.02959	0.4
87.00869	0.2
89.02474	0.4
92.10912	0.3
93.03465	0.8
101.02451	0.3
109.02976	0.3
111.04477	0.2
113.02479	0.3
115.00374	9.0
119.04997	0.5
121.02959	100.0
122.03300	0.4
134.03728	0.4
135.02942	0.4
135.04538	0.4
137.02449	1.0
173.04590	0.3
187.79242	0.2
191.05676	3.1
193.05005	0.2
237.04074	11.7
406.16653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
116.92911	14.8
146.81915	18.8
190.62405	16.7
195.77779	15.1
201.70114	17.1
209.11864	74.2
263.20200	100.0
302.65005	18.2
364.57764	16.4
533.74481	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	747.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	6.7
59.01390	9.5
68.99831	0.3
69.03460	0.6
71.01393	10.6
72.99326	1.9
73.02968	0.7
75.00881	18.5
83.01417	0.7
84.02192	1.3
85.02968	14.0
87.00890	10.7
89.02455	3.4
92.10929	0.6
93.03400	0.4
97.02934	0.5
99.00899	6.7
101.02464	1.9
111.00883	0.5
113.02498	0.5
115.04051	0.5
121.02962	88.1
122.03292	0.4
129.01953	13.4
135.04532	3.4
141.01953	0.4
148.67488	0.3
149.49809	0.3
159.03032	0.7
159.81580	0.3
177.04065	80.7
191.05565	0.6
240.27470	0.3
299.07773	100.0
300.08017	0.6
336.72238	0.3
356.56567	0.3
504.56256	0.4
538.02917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.9
60.20583	0.5
61.98835	0.7
71.01393	2.1
72.99316	0.7
75.00880	0.5
78.95906	0.9
85.02950	0.8
87.00861	0.7
89.02450	1.1
93.03442	5.5
93.72366	0.7
101.02459	1.1
108.02201	0.8
109.02971	2.6
111.04589	0.6
111.66611	0.5
113.02451	0.9
119.03503	0.5
119.05060	0.9
121.02962	10.6
122.03765	11.5
123.04556	0.8
125.02480	1.0
125.81252	0.5
133.02942	1.2
134.03726	1.0
135.04535	2.5
136.01672	10.5
137.02480	4.2
139.04050	2.1
149.02473	15.9
150.03247	97.5
151.00388	4.3
151.04034	13.4
152.01118	1.0
155.03529	0.6
155.10774	0.8
163.04039	0.5
164.04829	4.6
165.05594	100.0
166.02731	9.2
167.03442	0.8
173.04605	1.2
175.04013	1.2
177.01877	0.7
177.05557	1.1
179.03540	0.8
180.04317	8.0
181.05090	10.7
189.05692	1.0
190.06268	0.7
191.05664	3.2
195.06662	50.7
205.05132	0.7
221.08220	1.1
252.77634	0.6
285.03818	0.7
313.07166	3.1
316.54178	0.6
323.73376	0.6
327.08847	3.2
329.06573	2.7
329.10336	2.3
342.11230	0.6
343.08289	4.1
344.09088	6.4
357.09732	2.5
357.13541	6.0
358.06592	0.9
358.10632	14.6
359.11469	21.4
372.12149	2.4
373.12991	26.0
387.14587	17.9
387.18536	0.6
389.12488	8.8
394.99158	0.6
404.14813	13.7
419.17203	57.3
449.08932	0.9
535.20282	2.3
553.20758	1.1
583.21979	14.3
691.47772	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91406	0.3
53.23419	0.3
54.82669	0.4
59.01381	3.4
61.98849	0.6
67.01879	0.6
69.03470	0.5
71.01384	3.8
73.02948	0.6
73.47544	0.4
83.01427	0.7
85.02963	2.2
87.00907	0.6
88.98824	0.6
89.02462	0.6
93.03466	5.1
95.01370	0.8
95.33476	0.5
96.83849	0.4
96.96024	1.1
101.02428	0.8
105.03459	0.5
108.02196	2.0
109.02966	2.5
113.02436	0.7
113.66100	0.4
119.05065	0.9
121.02958	18.8
122.03741	15.5
123.00874	1.8
123.04539	1.7
124.01681	1.1
125.02466	1.8
132.02153	0.5
133.02934	2.7
134.03764	2.0
135.03015	0.6
135.04541	12.3
136.01665	21.2
137.02437	6.4
139.04041	0.5
145.02982	0.8
147.04485	1.9
149.02458	34.2
149.06122	1.0
150.03236	100.0
151.00424	5.2
151.04025	28.7
152.01172	2.7
154.02747	1.1
159.04503	0.9
160.05261	0.5
161.02452	1.1
161.06061	1.9
162.03267	0.5
163.03973	4.7
164.04808	8.2
165.05582	87.6
166.01300	0.5
166.02727	16.0
166.05865	0.5
167.03511	4.4
172.05278	1.9
173.02455	0.7
173.04654	4.2
173.05942	0.9
174.03247	2.2
175.04021	7.1
175.07655	0.6
176.04874	0.6
177.01929	1.8
177.05597	1.7
179.03535	0.8
180.04279	7.0
181.05090	18.8
187.07556	0.5
189.02090	0.6
189.05542	4.5
190.06384	8.6
191.03645	0.7
191.05608	2.8
191.07133	0.5
195.06647	33.1
199.04036	1.1
205.05130	0.9
205.08778	0.8
206.05838	0.9
207.06619	0.6
221.08327	1.1
282.05481	0.8
297.07788	1.8
308.62280	0.5
314.08069	1.0
315.08820	1.1
325.07443	0.6
326.11938	0.8
329.10318	3.2
340.09372	0.5
342.11148	2.0
356.12671	2.3
357.09863	6.3
357.13489	6.5
369.13589	0.9
370.49039	0.5
372.12311	4.4
373.13068	0.7
386.13757	0.6
387.14563	32.5
388.14612	0.6
405.09738	1.0
449.08801	0.9
490.16617	0.9
505.19110	3.5
520.17279	0.9
535.19861	45.4
536.20135	0.9
553.20868	0.7
565.21094	2.0
583.21948	30.1
649.22028	0.6
661.08716	0.5
685.39587	0.6
765.11926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93959	0.3
59.01388	3.5
60.99313	21.2
61.98837	2.1
71.01383	2.2
72.28007	0.4
73.02946	0.5
81.02637	0.3
83.05065	0.3
85.02960	1.4
87.00886	0.4
88.76804	0.3
88.98807	100.0
89.02452	0.8
93.03456	1.9
95.01402	0.3
96.96004	1.6
101.02449	0.8
108.02202	0.5
109.02990	0.5
111.06699	0.3
113.02474	0.4
116.82704	0.3
121.02917	1.9
125.02472	0.7
135.04535	0.8
137.02426	0.8
145.02954	1.9
150.03285	0.7
151.03964	0.5
153.01932	0.4
165.05534	0.6
168.16940	0.3
171.10257	0.5
173.04550	3.0
183.98450	0.3
191.05615	2.2
198.99907	0.3
209.11790	2.0
413.25623	1.3
642.39063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61225	0.5
59.01392	4.6
60.99312	23.5
61.98833	5.9
71.01399	3.2
72.99303	0.5
73.02931	0.6
83.01387	0.7
84.95159	0.6
85.02986	0.7
88.98808	100.0
89.02455	1.1
92.10818	1.5
93.03469	2.9
96.48991	0.5
96.96047	0.7
98.83253	0.5
101.02469	0.8
109.02933	0.6
112.63602	0.5
113.02467	0.6
116.92926	1.0
117.03492	1.0
118.92687	0.7
119.05017	0.9
121.02985	6.2
127.11347	0.8
135.04546	1.0
137.02467	2.6
145.02975	4.2
150.03377	0.8
163.04051	1.0
163.11475	0.6
165.05521	0.7
171.10323	0.8
173.04536	4.2
175.04050	1.3
180.04317	0.9
189.05705	0.8
190.06415	1.1
191.05669	2.5
191.07161	2.1
193.05133	0.6
201.11287	1.1
205.08652	0.9
207.06859	0.7
208.07364	0.7
209.11845	5.5
225.11501	0.9
245.01399	0.7
246.77798	0.6
389.16235	7.3
520.26556	0.6
547.31555	0.8
745.38214	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61225	0.5
59.01392	4.6
60.99312	23.5
61.98833	5.9
71.01399	3.2
72.99303	0.5
73.02931	0.6
83.01387	0.7
84.95159	0.6
85.02986	0.7
88.98808	100.0
89.02455	1.1
92.10818	1.5
93.03469	2.9
96.48991	0.5
96.96047	0.7
98.83253	0.5
101.02469	0.8
109.02933	0.6
112.63602	0.5
113.02467	0.6
116.92926	1.0
117.03492	1.0
118.92687	0.7
119.05017	0.9
121.02985	6.2
127.11347	0.8
135.04546	1.0
137.02467	2.6
145.02975	4.2
150.03377	0.8
163.04051	1.0
163.11475	0.6
165.05521	0.7
171.10323	0.8
173.04536	4.2
175.04050	1.3
180.04317	0.9
189.05705	0.8
190.06415	1.1
191.05669	2.5
191.07161	2.1
193.05133	0.6
201.11287	1.1
205.08652	0.9
207.06859	0.7
208.07364	0.7
209.11845	5.5
225.11501	0.9
245.01399	0.7
246.77798	0.6
389.16235	7.3
520.26556	0.6
547.31555	0.8
745.38214	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26385	0.9
52.38859	1.0
57.03457	1.6
59.01385	13.0
60.99319	23.2
60.99579	1.3
61.56097	1.1
61.98842	16.4
71.01412	7.5
78.12538	1.1
85.02990	2.0
88.98816	100.0
89.02431	2.5
93.03477	2.5
96.96011	2.1
101.02452	1.9
106.13704	1.1
106.89488	1.1
108.02225	2.1
109.02982	2.3
113.02470	2.2
116.92860	1.1
119.05070	2.1
121.02933	9.5
121.75673	1.0
135.04529	1.7
137.02438	2.7
144.28090	1.3
145.02974	2.5
147.05688	1.0
150.03275	2.6
152.01201	2.1
153.02045	1.1
161.04576	1.0
165.05608	2.0
171.10307	2.0
173.04576	6.5
175.04007	1.3
187.11462	1.1
191.05609	8.7
209.11884	30.1
225.11362	1.5
227.12880	4.1
253.09325	1.4
354.81146	1.2
547.31433	1.4
745.34583	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	743.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66895	6.5
69.43510	7.6
70.99287	7.4
74.55209	6.9
78.95926	36.9
84.78940	7.0
106.33530	6.5
119.16534	7.2
152.63892	7.7
152.99640	49.6
197.24084	7.6
253.21642	12.8
255.23253	14.3
279.23279	100.0
313.47751	7.4
350.59717	7.8
355.98349	8.6
400.55417	9.2
419.46906	9.3
463.52512	7.0
507.27301	70.8
541.17932	9.1
743.48419	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
73.95995	3.1
78.95898	29.2
84.52020	3.0
87.58625	3.0
97.03033	3.1
129.69395	2.9
152.99593	35.8
164.84038	2.9
190.35997	2.9
190.52225	3.0
208.36778	3.4
253.21706	4.8
255.23338	100.0
277.21701	56.0
279.23312	42.7
469.07254	3.6
473.39444	3.4
507.27249	20.4
615.41663	3.3
743.48840	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78702	0.4
55.01889	1.9
57.03454	2.0
58.00623	0.4
59.01387	100.0
65.37634	0.4
69.03464	0.8
71.01383	19.8
72.99316	0.8
73.02946	6.3
75.00874	6.7
80.70235	0.4
83.01398	3.1
85.02953	10.3
85.55894	0.5
87.00881	1.1
89.02447	5.2
93.03458	14.5
94.03790	0.4
95.01391	0.9
96.99314	2.8
99.00878	2.3
101.02443	16.2
107.05049	0.5
108.02193	0.7
109.02950	0.7
109.68275	0.6
113.02461	7.5
116.88716	0.5
117.03490	0.9
119.05025	27.4
121.02958	20.7
122.03294	1.0
123.04504	0.9
130.04222	0.6
131.05008	3.1
133.02950	2.8
135.02982	0.9
135.04533	4.3
137.02411	3.9
143.05040	10.8
145.02963	2.6
152.01122	0.8
153.01979	0.6
159.03036	1.0
161.02353	0.5
161.04550	8.6
163.02711	0.9
163.04025	19.0
171.04530	1.0
173.04591	0.6
177.81311	0.5
191.05676	4.9
211.07622	3.5
223.07635	0.8
235.07700	0.6
237.09200	3.6
245.09328	0.7
265.06003	0.5
265.08740	10.6
269.07721	0.6
269.10367	11.9
283.09738	2.3
309.07642	2.5
311.11465	10.4
312.12057	0.5
315.07239	0.5
327.08795	56.6
328.09128	2.2
341.08780	10.1
373.72574	0.5
387.20331	7.4
401.18259	2.3
415.12616	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
59.01382	1.5
60.99319	0.6
67.01895	4.0
67.02230	0.2
69.03471	0.7
71.01388	2.7
81.03471	0.7
83.05040	1.0
85.02962	0.6
87.00890	0.3
89.09352	0.1
89.96662	0.1
92.10735	0.2
93.03456	23.5
95.09232	0.1
99.00899	0.3
99.04536	0.2
109.02984	1.0
111.00888	0.8
111.04523	5.2
113.02422	0.3
117.03471	0.3
118.49719	0.1
121.02953	22.3
127.04019	0.2
127.38395	0.1
128.41487	0.1
129.01961	1.3
130.21783	0.1
134.03752	4.9
134.04709	0.2
135.04543	0.2
137.02455	4.4
147.03047	0.2
149.04581	0.2
149.06122	0.5
155.03525	3.8
173.04562	100.0
174.04906	0.5
178.02850	0.2
191.05711	0.2
193.05081	4.0
219.04939	0.3
295.08270	25.2
341.08862	1.2
413.39844	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	743.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29708	0.9
55.01903	2.3
57.03459	1.6
58.00577	0.9
59.01395	44.3
60.30043	1.0
71.01392	34.6
72.99315	5.4
73.02952	10.0
75.00861	2.1
75.78933	1.0
83.01392	3.9
85.02955	10.6
87.00876	2.0
89.02446	26.6
93.03452	2.1
95.01373	1.6
99.00910	2.2
101.02456	16.1
104.86132	1.3
109.02966	1.8
113.02454	8.9
115.00372	2.0
119.03524	5.7
119.05030	16.4
121.02962	79.6
122.03296	8.5
131.03575	1.4
135.02992	2.4
135.03548	1.4
135.04533	26.0
137.02414	1.4
145.02940	1.4
146.86337	1.1
147.04500	1.5
159.04597	2.3
163.04021	16.4
179.05658	1.5
191.05624	10.0
205.05215	1.4
211.07748	1.8
237.04074	2.4
253.09000	1.3
267.06674	1.3
268.07449	2.3
269.08310	6.2
270.09109	2.0
280.04605	1.2
280.07507	1.9
281.08127	10.5
282.08939	5.8
283.09818	10.8
284.10208	1.3
293.08160	1.9
296.10464	1.7
299.09259	4.8
300.09973	1.5
311.09241	4.1
312.10147	1.4
314.08240	1.9
314.11505	10.9
315.12366	2.6
326.11575	12.8
327.08719	8.8
327.12521	7.0
329.14075	16.8
341.10452	1.4
341.14041	10.9
343.11838	2.1
353.58557	1.3
355.11954	2.0
401.16107	4.6
408.68182	1.3
415.12631	24.0
468.31207	1.2
476.17126	11.6
488.16693	9.0
491.19366	100.0
503.19379	64.1
521.20416	41.3
581.22742	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	741.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	6.5
61.98835	2.6
64.34399	1.1
71.01396	4.8
78.27679	1.4
83.05047	2.5
89.02452	1.7
99.00876	1.3
101.02477	6.1
125.09779	1.4
127.11234	1.4
139.73801	1.3
163.11256	2.1
171.10275	2.0
181.12373	1.5
182.96330	1.2
201.11378	33.1
208.10535	1.7
209.11879	67.5
225.11345	2.5
227.12897	5.2
235.08188	3.0
253.09346	10.5
277.21762	100.0
278.22116	2.0
295.14307	1.2
318.65027	1.5
741.44092	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	741.4
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01029	74.0
64.64919	66.4
87.77490	85.3
88.78240	91.5
92.34582	83.7
130.57333	89.0
241.71819	76.1
351.90668	79.1
437.80112	90.4
533.67560	84.9
718.94647	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	741.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	50.9
61.98811	2.7
71.01387	26.8
73.02962	5.7
76.94752	2.7
78.95911	13.9
85.02950	6.6
86.15387	2.8
87.00906	3.8
89.02448	28.2
101.02432	24.6
113.02500	14.1
119.03469	4.4
125.02442	12.8
132.18170	2.7
152.99629	5.1
171.10245	3.8
179.05583	4.1
209.11874	31.1
210.12175	12.7
222.57062	2.9
235.08273	5.2
255.23296	20.6
256.23679	11.6
277.21625	3.9
279.23212	3.6
283.26459	100.0
361.24658	3.1
397.13547	88.4
415.14905	25.1
505.25809	5.1
535.08936	3.5
643.84515	3.3
665.88239	3.2
690.42926	3.6
691.43939	30.6
741.44843	4.4
772.12665	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	741.299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20580	0.1
57.03453	0.6
59.01382	1.5
60.99316	1.5
62.07249	0.1
67.01898	3.6
69.03454	1.0
71.01385	1.7
73.02946	0.5
75.00883	0.1
79.68017	0.1
81.03455	0.6
83.05032	1.0
85.02955	5.4
85.03467	0.2
85.97639	0.1
87.00874	6.6
89.02435	0.2
93.03457	24.7
94.03787	0.6
99.00876	0.7
99.04496	0.9
101.02421	0.3
109.03008	0.9
111.04524	4.3
113.02457	0.6
115.04041	0.3
117.03474	0.2
119.05030	9.4
120.05385	0.2
121.02937	0.2
127.04012	1.6
129.01955	0.9
133.02954	0.9
135.04504	0.2
137.02440	0.7
143.03560	0.2
145.02954	1.7
153.01891	0.2
155.03470	0.7
163.04024	8.1
163.05400	0.3
164.04298	0.3
173.04562	8.3
177.01875	0.2
179.03542	0.2
191.05640	100.0
192.05974	2.7
193.06082	1.0
288.00015	0.1
337.09372	25.8
338.09775	1.1
339.09967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21455	1.6
53.68046	1.4
56.71585	1.5
57.40959	1.3
59.01402	2.4
61.98835	2.3
68.94474	1.5
73.07756	1.4
76.07286	1.5
81.09758	1.6
82.64766	1.8
82.73795	1.5
83.05003	1.7
89.08694	1.8
92.10801	5.0
121.02977	24.5
181.87712	1.8
183.53044	1.6
196.37917	1.6
209.11867	100.0
227.12849	14.6
253.09224	3.2
342.00366	1.8
445.21027	7.3
522.21722	2.0
559.27661	6.6
637.32397	7.4
673.34406	2.1
741.34857	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02785	0.5
57.32420	0.4
57.82600	0.3
59.01389	1.0
71.01402	2.9
73.02943	0.6
78.95913	0.7
81.03453	0.4
85.02967	2.9
88.02341	0.5
93.03444	1.6
95.01398	0.8
96.96010	1.9
101.02424	0.7
108.02181	82.1
109.02970	26.0
110.54614	0.4
113.02468	1.0
121.02940	1.0
123.00903	0.6
123.04500	1.6
133.03023	0.8
137.02478	0.5
151.04028	2.3
152.01166	72.6
153.01961	26.7
154.02222	0.5
163.04015	0.9
163.19670	0.4
165.01930	2.2
173.04546	0.9
177.01932	0.7
191.05655	6.6
261.08823	0.6
315.07278	100.0
316.07657	1.1
351.16708	0.5
371.09927	1.0
483.73264	0.5
655.85992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86976	0.2
56.63572	0.2
59.01385	2.0
60.67926	0.2
67.01894	0.2
69.04154	0.2
71.01398	1.3
72.17953	0.2
73.02942	0.2
75.00895	1.0
81.03482	0.3
85.02956	8.2
87.00874	2.3
89.02446	0.5
93.03460	3.7
94.03809	0.3
96.95998	0.7
99.04564	0.2
101.02424	0.3
109.02982	0.9
110.86829	0.2
111.04541	1.1
113.02512	0.2
119.05048	1.1
121.02955	5.6
127.03998	2.0
131.07144	1.1
133.02968	2.2
135.03003	1.8
135.04559	1.9
137.02440	0.3
152.01166	0.2
153.02029	0.2
155.03564	0.2
161.02454	1.9
163.04037	0.2
170.66872	0.3
171.03023	0.6
173.04558	1.2
177.01979	0.2
179.03526	0.8
184.78635	0.2
190.43921	0.2
191.05643	100.0
192.06012	0.8
215.05730	0.3
293.12610	1.5
294.12820	0.2
295.08237	0.5
337.09341	0.2
351.07031	0.4
352.07852	0.2
353.08826	8.5
353.52063	0.2
370.90283	0.2
376.86102	0.2
402.98172	0.2
455.28830	0.2
463.79935	0.2
754.87012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83279	0.1
56.49970	0.1
57.03468	0.3
57.06484	0.2
59.01381	1.7
64.98607	0.1
67.01919	0.2
71.01382	1.3
75.00900	0.3
85.02959	7.8
87.00876	1.9
89.02463	0.4
92.10185	0.2
93.03460	3.9
109.02969	1.0
111.04504	1.4
119.05072	0.2
121.02962	3.8
127.04033	1.6
131.07153	0.3
133.02966	1.7
135.03006	1.0
135.04529	1.3
137.02406	0.2
142.19540	0.2
152.01114	0.3
153.02094	0.2
153.58360	0.2
155.03502	0.2
161.02441	2.0
163.04033	0.3
173.04539	1.7
179.03578	0.7
191.05641	100.0
192.04469	0.2
192.05968	1.5
215.05675	0.3
237.78893	0.2
293.12500	1.5
295.08163	0.3
351.07300	0.8
353.08847	8.6
519.17322	0.3
585.36841	0.2
773.57629	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.4
59.01389	7.1
69.03475	2.6
71.01384	13.1
71.01774	0.6
72.93265	0.4
72.99306	0.5
73.02974	0.7
75.00887	2.0
76.65686	0.3
85.02959	3.1
87.00876	0.6
89.02464	2.3
93.03459	14.6
94.26588	0.4
96.96026	0.6
96.99318	1.8
99.00901	0.8
101.02447	1.9
106.04227	2.0
107.05035	0.5
108.02173	1.5
109.02969	0.7
113.02438	0.5
114.14735	0.4
115.00388	5.1
117.03457	0.7
119.05030	97.3
120.05405	1.8
121.02962	62.1
123.04521	0.9
129.01956	0.5
131.04965	2.8
132.05823	2.5
133.02972	2.6
135.04568	2.9
137.02460	2.0
139.44946	0.5
143.05026	8.0
144.78682	0.4
145.02942	0.7
145.06581	3.3
148.96745	0.4
159.04456	0.5
161.02458	0.5
163.04027	86.2
164.04437	0.7
165.04095	0.4
171.04529	0.6
173.04639	0.5
175.03972	0.5
175.63409	0.4
179.03575	0.6
191.05655	15.1
211.07690	4.3
221.09741	2.0
235.07712	1.8
237.04086	7.9
237.06195	0.7
237.09251	6.0
239.10875	3.8
265.08752	7.7
283.09814	13.6
307.04523	0.5
309.07758	2.2
327.08810	100.0
328.09201	3.0
399.63025	0.5
530.87280	0.5
741.29144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.9
65.00342	2.2
65.03983	0.3
65.47069	0.3
67.21157	0.3
71.01382	0.8
74.95489	0.4
85.02945	0.5
89.02439	0.5
91.01898	8.8
93.03456	7.3
101.02436	0.4
108.02204	0.4
109.02962	48.2
119.05046	2.6
121.02932	2.6
129.03467	0.6
130.04265	0.5
131.05055	2.7
133.49475	0.4
135.04547	0.5
143.05043	33.0
145.02962	1.9
145.06618	0.5
146.03745	9.1
147.04541	8.2
158.03757	0.6
159.04541	5.7
191.05621	4.1
196.05310	0.7
207.08122	0.7
209.06081	2.0
210.06953	0.7
211.07674	1.7
225.05693	0.4
225.09300	0.7
235.07664	16.1
236.08263	0.7
238.06360	0.5
251.07155	8.4
252.07950	2.6
253.08734	100.0
254.09091	1.4
297.07703	22.5
554.67651	0.4
741.27948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	2.9
60.80966	0.6
61.98836	100.0
65.56664	0.6
65.88716	0.5
67.51781	0.5
71.01393	0.7
73.15973	0.6
84.94492	0.6
88.38039	0.6
109.04066	0.6
121.02971	1.0
144.15273	0.6
152.35014	0.6
209.11911	7.4
210.12167	2.6
211.71638	0.6
227.12907	0.8
275.19867	0.7
276.20389	0.7
293.21219	5.6
294.21436	3.7
317.61310	0.6
361.96277	0.7
597.47211	0.7
685.89655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96330	1.2
59.01385	3.5
61.98836	100.0
66.74557	1.4
88.74419	1.3
209.11917	2.1
220.52454	1.5
220.85036	1.5
279.23227	1.8
280.23499	1.9
413.87161	1.9
728.86383	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	740.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87506	0.2
59.01393	5.0
59.71714	0.2
61.98846	100.0
71.01408	2.3
73.02987	0.3
75.00883	4.7
81.03472	1.2
83.05043	2.7
84.05391	0.5
85.02975	1.3
86.05575	0.3
87.00885	0.6
89.02463	2.0
93.03448	2.7
94.03809	0.3
96.96007	0.4
101.02380	0.4
108.02203	0.4
109.02992	0.6
113.02464	0.6
119.05046	5.8
121.02972	2.4
122.03792	0.3
123.04504	0.3
126.90488	0.3
134.03732	1.5
134.82378	0.3
135.03015	8.5
135.04515	2.0
137.02449	1.3
147.04539	0.4
149.06171	0.3
152.01129	0.3
159.04558	0.4
161.02374	0.3
163.04022	2.4
173.04572	2.2
178.02693	0.3
179.03465	0.5
191.05627	5.2
192.05927	0.5
193.04930	0.7
225.16144	0.6
226.06429	1.5
226.16525	0.5
241.08679	0.6
252.07886	0.5
253.08719	0.6
254.09444	1.2
267.10266	0.7
269.11966	0.5
285.03952	0.6
299.02045	0.4
401.65671	0.3
408.55682	0.3
452.33408	0.4
484.27899	0.3
623.17651	3.3
678.50391	1.6
679.50513	4.0
680.50604	8.7
740.49591	2.4
741.20557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31863	1.3
52.66792	1.2
54.82993	1.5
59.01385	10.6
61.98844	17.0
71.01415	1.5
78.32163	1.5
83.05056	7.5
88.61515	1.2
101.02457	2.8
119.03641	1.5
148.87027	1.6
163.11285	2.0
165.12900	2.2
167.33226	1.3
171.10284	1.4
193.99019	1.4
209.11879	100.0
227.12962	9.3
253.09299	7.4
275.20203	2.0
293.21255	32.4
314.78220	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.9
59.78327	0.4
60.40831	0.4
60.96390	0.5
66.21245	0.4
68.15833	0.4
71.01388	7.0
72.99299	3.8
75.00871	36.2
75.61897	0.5
76.57294	0.6
78.63558	0.5
85.02963	3.7
87.00873	2.0
89.02447	7.2
93.03445	3.7
96.96014	0.6
106.04219	0.6
115.00355	1.2
117.01901	1.8
119.05027	17.1
121.02954	19.9
122.03281	2.8
135.03006	100.0
137.02423	0.7
143.05020	1.1
145.06616	0.5
150.55031	0.6
163.04001	12.4
168.00394	0.6
173.04533	1.0
174.89912	0.5
177.01912	0.9
179.05707	0.6
191.05641	44.2
192.05969	9.6
211.07715	0.6
237.04179	1.0
265.08862	1.9
266.08878	0.7
283.09814	2.3
327.08826	10.1
328.09161	4.1
333.58582	0.5
337.09433	5.5
338.09641	2.3
445.11530	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	739.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83027	1.4
57.03447	1.6
59.01393	14.1
69.25639	1.3
70.49651	1.3
71.01394	8.8
71.05032	2.7
71.22141	1.4
89.02468	8.3
97.02981	6.0
97.06575	2.3
99.00893	18.7
101.02461	7.9
116.92892	1.8
121.07978	1.5
123.08134	1.8
125.09737	9.2
127.11360	1.7
135.69447	1.4
136.98953	1.5
140.49910	1.7
163.11279	12.8
171.10287	17.4
179.05644	1.5
179.10779	1.7
181.12354	23.4
197.11792	2.4
199.13443	17.7
207.10294	37.3
215.45883	1.5
219.23621	1.5
225.11357	62.0
235.42497	1.4
243.12404	32.2
253.09146	2.0
277.21790	44.5
281.24771	2.5
286.94556	1.7
461.20459	3.1
479.21555	7.8
637.91962	1.9
679.39069	2.1
684.79584	2.1
739.42834	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	739.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31863	1.3
52.66792	1.2
54.82993	1.5
59.01385	10.6
61.98844	17.0
71.01415	1.5
78.32163	1.5
83.05056	7.5
88.61515	1.2
101.02457	2.8
119.03641	1.5
148.87027	1.6
163.11285	2.0
165.12900	2.2
167.33226	1.3
171.10284	1.4
193.99019	1.4
209.11879	100.0
227.12962	9.3
253.09299	7.4
275.20203	2.0
293.21255	32.4
314.78220	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.0
61.98850	2.6
63.33228	2.8
66.41639	4.0
71.01385	13.4
71.05035	4.7
73.02937	3.5
76.62568	3.2
78.95916	4.2
88.84111	3.4
97.06591	4.3
99.00892	11.5
101.02464	5.7
109.06606	3.4
116.92844	3.9
118.87858	3.5
120.51663	3.9
125.09712	3.7
161.09831	4.3
163.11275	6.1
171.10292	37.6
181.12373	17.6
197.11823	6.5
207.10352	32.4
225.11380	45.9
234.55531	3.4
243.12282	13.9
277.21768	100.0
278.22202	5.4
279.22363	4.9
284.61072	3.8
407.19394	3.9
461.20624	6.2
739.42676	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.8
57.03468	0.9
59.01389	11.4
61.13002	1.0
71.01384	9.0
71.05022	2.5
73.02944	1.3
74.18352	1.0
83.05035	1.6
85.02952	1.3
89.02459	4.9
95.01465	1.1
95.05029	1.1
97.02948	6.7
97.06599	5.1
97.84264	1.1
99.00885	35.0
101.02463	7.7
106.93580	1.0
108.22395	1.1
109.06594	4.6
113.02460	2.3
123.08141	1.6
125.09727	18.0
127.42056	1.0
135.08276	1.6
155.14415	1.3
163.11279	15.8
171.10240	11.4
181.12372	29.2
193.03247	1.0
197.11882	5.3
199.13425	11.2
207.08325	2.0
207.10307	62.9
222.91908	1.0
225.11363	87.5
242.22575	1.2
243.10028	2.1
243.12402	44.9
248.29576	1.1
253.09180	1.5
276.86362	1.3
277.18805	1.8
277.21780	40.3
278.67657	1.1
279.44559	1.0
352.03152	1.2
381.72046	1.1
461.20502	2.1
479.21481	10.6
633.55701	1.2
647.75140	1.1
664.48053	1.2
717.41522	1.3
721.40948	1.8
739.42865	100.0
740.43469	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.429
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17522	1.3
59.01389	10.2
67.39027	1.3
70.06966	1.3
71.01396	8.7
71.05035	2.2
76.22024	1.4
84.65392	1.4
89.02417	1.5
92.10706	1.9
93.60896	1.3
97.02953	2.4
99.00896	9.8
101.02446	7.1
109.06616	2.7
112.63618	1.4
114.05450	1.5
116.92854	2.1
118.88391	1.7
125.09754	5.8
127.11314	1.6
128.77864	1.5
146.27077	1.6
149.40747	1.7
163.11322	11.3
171.10278	20.5
181.12350	18.0
199.13451	30.2
201.11247	2.5
207.08542	2.5
207.10316	39.5
225.11357	74.9
243.12422	17.9
253.09315	6.1
277.21768	67.0
278.22141	1.8
285.45535	1.8
329.07944	1.5
380.74969	1.6
461.20404	7.1
721.41687	6.2
739.42810	100.0
740.42230	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	739.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62649	1.7
59.01392	4.6
59.70017	1.8
61.98864	2.4
64.34760	1.9
71.01390	7.2
74.65744	2.0
89.02464	2.9
91.92937	1.9
163.11201	2.0
163.54944	1.9
171.10294	100.0
179.05591	2.0
207.10248	14.1
225.11389	38.5
235.08070	2.4
236.02013	2.3
253.09323	3.7
257.16403	1.9
277.21777	84.9
407.19568	2.7
461.20615	2.6
475.56134	2.0
588.36633	2.1
633.32062	2.3
638.11981	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29998	3.2
54.67840	2.7
59.01400	17.6
60.99357	2.7
61.98834	100.0
61.99116	4.3
71.01406	5.7
73.93604	3.5
87.00905	4.0
88.98826	13.5
96.74274	3.2
96.96027	4.5
101.02454	12.2
107.26854	3.8
109.02991	3.7
121.02972	36.0
135.04539	4.6
160.01665	5.1
175.04054	3.8
191.05698	6.5
207.10338	5.4
209.11887	23.4
225.11400	18.7
227.12964	5.2
251.16589	6.3
257.14035	5.7
285.04117	7.6
413.21439	4.2
454.96762	3.7
461.20084	5.3
517.24939	6.1
547.74670	4.4
653.32166	5.0
720.88568	3.8
739.33899	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	739.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83171	1.8
58.38547	1.9
58.84589	1.8
59.01409	3.2
61.08844	1.8
64.75732	2.2
71.01402	13.9
78.95921	3.7
85.82844	2.2
109.06590	2.3
111.57690	2.1
152.99661	4.6
163.11354	2.0
171.10289	46.7
207.10307	9.4
225.11386	14.0
235.08209	2.8
253.09464	3.6
277.21771	100.0
379.40466	2.4
380.21622	2.5
410.78946	2.5
595.22748	2.9
721.41870	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	739.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83183	0.4
57.03457	0.4
58.00599	0.7
59.01389	100.0
62.49794	0.3
69.03452	1.7
71.01385	30.2
72.99325	0.9
73.02947	49.4
75.00875	0.4
81.03485	0.4
83.01389	9.5
84.05175	0.4
85.02953	3.7
87.00874	0.7
89.02449	10.0
89.55067	0.5
95.01374	2.0
97.02938	0.5
99.00928	0.5
101.02439	37.3
113.02456	12.3
119.03524	3.6
121.02956	0.5
125.02393	0.8
131.03514	3.9
143.03482	2.0
149.04561	6.6
155.03494	1.6
161.04576	11.6
191.05635	1.4
203.05573	1.7
221.06737	4.2
453.93710	0.5
509.48199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32193	5.6
59.01390	36.5
60.23635	5.7
61.98832	83.7
62.06870	5.9
67.32731	5.5
71.01403	30.8
76.02082	6.2
78.45136	5.9
85.02987	11.8
93.03462	53.5
96.96000	6.9
109.02944	11.9
109.06621	10.4
121.02951	100.0
135.04562	9.5
137.02423	61.0
145.03001	6.7
152.56590	6.2
159.04468	6.4
160.01691	8.1
161.02451	25.7
163.11336	13.2
164.46561	6.8
173.04559	33.3
185.44186	7.4
191.05658	14.2
207.10313	50.6
209.11876	95.5
225.11353	15.3
227.03651	8.7
227.12761	11.4
229.01445	15.6
229.05174	9.2
251.07181	8.0
253.09274	8.1
262.18088	7.7
285.04059	67.2
339.05185	26.1
399.81659	6.7
411.99902	6.8
443.19293	8.6
469.29749	16.1
635.30963	43.0
653.31256	54.0
671.33087	52.7
739.33069	46.3
740.19464	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	739.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.0
61.98837	1.0
71.01390	0.5
81.63615	0.5
89.02484	0.5
114.19720	0.5
116.92875	0.7
117.03474	43.5
121.02957	1.0
121.32661	0.6
141.83597	0.5
145.02971	100.0
146.03261	0.7
168.13029	0.6
191.05624	0.5
198.44075	0.5
204.16678	0.5
205.12469	0.6
227.58719	0.5
469.29242	0.5
572.46448	0.5
599.46747	0.6
607.34949	0.6
689.39777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53225	0.5
57.37329	0.6
59.01399	3.4
61.98844	100.0
65.25221	0.5
69.83223	0.5
71.01381	1.4
81.07481	0.5
85.81100	0.6
89.02461	1.0
90.40751	0.5
101.02532	0.6
118.22036	0.6
124.56034	0.6
162.43901	0.7
192.46725	0.6
222.31526	0.6
277.21652	1.3
278.22031	2.6
279.22443	0.7
279.45795	0.7
285.03891	0.7
352.30890	0.6
398.13876	1.3
399.14276	2.6
400.13895	0.7
625.02673	0.6
632.36792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.2
61.98846	1.5
65.21849	0.4
67.19601	0.3
74.81859	0.3
75.17796	0.3
85.02934	0.4
85.03557	0.3
85.96918	0.4
89.03956	0.4
92.10737	0.8
114.39772	0.3
114.83395	0.3
115.20997	0.4
117.03468	48.0
119.04995	0.5
121.02940	1.7
135.04558	0.6
145.02965	100.0
146.03307	0.7
147.39581	0.4
152.63013	0.4
163.03996	0.7
192.68350	0.4
287.98752	0.4
295.20197	0.4
637.18060	0.9
679.19116	1.7
739.21216	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	739.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	8.9
61.98842	5.4
67.51408	0.3
68.63365	0.3
70.45054	0.3
70.97691	0.3
71.01382	0.8
73.02960	0.5
75.02193	0.3
82.55191	0.3
83.22957	0.3
85.02949	0.4
86.55291	0.3
98.32980	0.4
99.92580	1.6
101.02457	0.7
113.02450	0.4
115.34921	0.3
116.92867	22.7
116.97298	0.5
117.03469	46.9
118.03866	0.4
119.05056	0.4
121.02952	5.9
132.39667	0.3
135.04497	2.0
138.00179	0.3
145.02969	100.0
146.03300	0.7
163.04015	2.0
192.04424	0.3
209.11862	0.4
241.13806	0.4
251.16539	4.0
381.88412	0.4
460.58524	0.4
517.24701	0.7
577.25519	0.4
637.18164	0.8
679.19324	1.5
697.20148	0.7
699.17035	0.4
739.20801	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	738.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65983	0.1
52.72265	0.1
59.01390	5.4
60.01727	0.3
61.01828	0.2
61.98843	100.0
62.31563	0.1
69.03472	0.2
70.71475	0.1
71.01396	1.8
71.25787	0.2
73.02962	1.1
83.01384	0.2
85.02968	0.2
89.02477	1.5
90.02799	0.2
92.10027	0.4
97.02953	0.2
101.02461	1.8
102.02786	0.2
113.02505	0.3
114.02794	0.2
125.02408	0.3
133.39357	0.2
143.03520	0.3
161.04622	0.3
209.11826	0.2
277.21790	1.9
278.22086	2.3
279.22433	1.3
280.22577	0.4
385.32452	0.2
397.13538	0.9
398.14233	1.2
399.14072	1.9
400.14343	0.9
416.15234	0.3
417.15167	0.6
418.15399	0.4
475.66360	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98662	5.9
69.17176	6.7
112.92250	7.4
117.14157	8.2
145.87633	8.3
150.23517	8.3
188.41641	8.7
190.30672	9.1
209.11841	59.3
225.68256	9.6
227.13106	9.0
253.09285	8.8
255.23340	100.0
260.27063	7.9
737.42682	30.7
762.83514	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84532	0.2
54.60221	0.2
57.13449	0.2
58.02980	0.3
58.46581	0.2
59.01385	14.2
59.87317	0.2
81.03457	6.3
83.05028	23.0
93.62635	0.2
107.06178	0.4
108.04556	0.5
125.07211	1.7
126.05573	0.4
127.42964	0.2
143.08284	0.9
144.90622	0.3
178.53683	0.2
191.05534	0.5
207.15173	1.9
224.17735	4.0
225.16115	16.2
242.18716	0.9
280.27185	0.2
285.11768	0.2
309.21884	1.2
324.26453	0.5
333.23035	1.5
341.29230	1.2
367.27142	1.5
433.31885	1.4
450.34341	2.0
451.32990	9.4
502.40543	0.3
508.17929	0.3
550.43481	1.6
565.44330	0.3
567.46204	0.4
659.48712	2.8
659.73059	0.3
677.49829	100.0
678.50098	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	737.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59364	2.9
59.01401	11.6
61.98852	5.3
69.03447	3.1
71.01393	4.4
78.95876	3.6
89.32972	3.4
100.71902	2.9
103.19785	3.4
113.02443	6.5
114.32238	3.1
158.31261	3.8
179.10757	4.6
197.11871	57.5
209.11890	4.6
221.84282	5.1
223.09795	5.5
253.09509	4.7
277.21780	78.7
603.96356	4.2
719.41034	4.2
737.41425	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	737.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81195	0.3
57.03456	0.4
59.01388	11.2
61.98843	3.4
71.01393	3.3
73.02935	0.7
80.00567	0.3
80.02695	1.5
80.43414	0.3
81.03471	0.7
83.05038	5.3
84.02177	0.8
85.02979	0.4
85.76968	0.3
87.00903	0.6
88.37260	0.3
88.44117	0.3
89.02460	2.1
91.60004	0.4
93.03453	0.8
95.05022	0.4
99.00920	0.3
101.02457	2.4
113.02436	1.5
117.03472	10.0
118.03811	4.6
119.04993	0.3
121.02962	2.1
125.09753	0.5
125.14613	0.3
135.08223	0.5
145.02969	30.1
146.02269	0.4
146.03310	11.3
147.03560	2.8
152.14330	0.3
152.35162	0.3
160.01685	0.8
161.04584	1.6
163.11317	3.9
165.12921	2.9
171.10237	1.5
173.04524	0.8
175.04070	0.5
181.12344	0.7
189.53485	0.4
191.10747	0.4
199.13391	1.8
209.11867	100.0
210.12206	4.3
225.11383	0.6
227.12927	13.8
228.13275	2.2
235.08185	0.8
247.13567	0.4
250.01845	0.4
253.09372	4.4
324.16507	0.4
337.88348	0.4
421.95908	0.4
445.20895	3.0
449.04965	0.4
464.22641	0.4
637.32123	0.7
638.32953	1.6
656.33838	2.6
674.34772	0.6
699.20685	2.0
737.35706	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	15.7
71.01399	14.4
75.00896	15.8
85.02979	13.5
94.50938	2.6
99.00879	6.0
113.02457	12.7
137.23468	3.3
152.99608	5.1
165.12866	4.4
183.13899	85.6
183.15361	5.3
207.69769	3.1
264.10236	3.8
277.21881	35.4
737.41339	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	737.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70787	0.3
56.03306	0.3
57.00148	0.3
57.03466	0.6
58.11426	0.3
59.01391	7.1
69.03458	3.7
71.01379	4.5
71.01713	0.3
71.05043	2.1
72.59941	0.3
73.02949	1.3
74.99494	0.4
75.00874	2.6
81.38840	0.3
82.49163	0.3
83.01427	0.5
83.05049	0.7
85.02968	1.9
87.00887	0.6
89.02452	3.5
93.66378	0.3
95.01427	0.5
95.05083	0.4
97.02966	0.4
101.02453	3.6
112.75096	0.3
113.02449	3.0
119.03518	0.5
120.82915	0.4
121.03046	0.4
123.08192	1.4
125.09752	2.1
132.36748	0.4
151.11298	2.0
153.12878	1.9
154.12535	0.3
161.04594	0.6
161.09735	3.9
179.10776	6.4
197.11864	100.0
203.19514	0.4
209.11859	2.2
209.26212	0.4
223.09824	2.0
241.10809	4.6
253.09293	1.7
277.21753	33.9
459.18762	0.6
473.64902	0.4
477.19897	2.1
542.94916	0.4
631.88770	0.4
719.41022	0.6
737.41296	78.9
738.41711	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	1.0
61.67913	0.1
65.04431	0.1
71.01390	0.3
93.03459	0.3
94.75665	0.2
106.04256	26.3
108.02196	0.2
115.43602	0.1
120.05369	0.2
121.02961	0.7
138.03236	4.8
150.03230	2.4
161.09738	59.0
162.10059	1.1
182.02248	2.3
191.05638	1.0
203.12914	1.8
205.08734	100.0
206.09064	1.2
245.13940	0.7
247.09549	0.2
367.14014	1.8
447.09039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82875	7.7
59.01386	10.3
61.98830	100.0
71.01389	13.8
121.03000	8.9
191.05522	11.9
197.11928	8.6
223.13481	12.0
308.85956	8.7
310.99268	8.2
627.76544	9.2
737.34393	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	737.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94907	0.6
59.01389	100.0
61.98817	2.3
69.03473	3.1
71.01386	22.2
72.99326	1.2
73.02949	29.7
74.47456	0.7
81.03457	1.5
83.01396	7.6
85.02968	3.7
89.02441	1.1
90.63194	0.6
91.89358	0.7
92.10865	1.3
97.02959	4.7
101.02445	28.5
113.02455	9.9
125.02437	7.1
131.03537	1.3
143.03525	7.3
155.03528	3.7
161.04559	3.4
203.05643	9.2
250.53070	0.7
277.21600	1.4
280.19519	0.7
359.67191	0.7
387.95038	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	82.3
61.98837	39.7
71.01395	45.7
73.02962	9.4
76.15363	9.2
76.95756	9.9
84.83283	10.7
85.02970	10.5
89.02460	40.3
90.96154	12.1
95.44775	9.0
101.02464	23.3
113.02476	12.0
116.92876	64.6
121.59275	9.8
125.02428	13.5
128.18228	8.8
178.48567	10.3
279.23306	100.0
330.29456	9.9
390.49176	11.1
397.13409	98.2
415.14407	44.9
768.84186	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	736.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09716	2.0
63.85300	2.4
66.27686	2.6
77.86773	2.2
78.53793	2.2
78.95912	29.0
88.79382	2.5
95.60010	2.5
96.01329	2.8
105.08998	2.6
152.48029	2.5
152.99588	27.7
221.23460	2.5
224.16064	2.8
277.21762	72.5
278.22058	6.5
279.23322	100.0
281.54947	2.6
284.65247	2.6
292.10895	2.9
363.14392	2.8
736.49481	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.5
61.98833	100.0
71.01391	9.5
116.00771	7.0
116.30543	6.9
121.02995	8.5
139.14897	6.9
141.68715	7.1
147.98943	7.5
191.37212	7.8
195.54410	6.7
207.10307	42.0
209.11882	12.1
225.11349	17.4
257.45096	7.4
302.74103	8.0
307.86880	6.9
319.59213	8.5
501.23160	7.7
640.14026	10.0
737.31152	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	736.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.7
59.27459	0.2
60.01723	0.3
61.98837	6.7
67.67350	0.2
71.01398	1.6
73.02946	0.3
74.97778	0.3
80.02697	0.3
80.47356	0.2
81.03474	0.5
81.64051	0.2
83.05026	2.9
84.02204	1.0
85.02962	0.4
89.02475	1.2
93.03483	0.6
97.02974	0.3
101.02459	1.6
113.02479	0.5
117.03465	2.5
118.03805	1.0
121.02995	0.4
137.06258	0.2
138.05733	0.2
145.02963	6.8
146.03313	2.8
161.04523	0.5
163.11307	3.1
165.12820	2.2
169.01596	0.2
171.10391	0.3
173.04568	0.2
173.09955	0.2
191.10782	0.5
209.11871	100.0
210.03972	0.3
210.12195	1.3
227.12930	16.8
235.08351	1.8
253.09299	4.2
256.78503	0.3
445.20871	6.4
463.22241	1.1
543.51001	0.3
637.32428	0.5
655.33490	0.3
673.34778	0.5
698.20050	0.5
735.10516	0.3
736.33203	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	736.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82788	0.1
56.54562	0.1
59.01387	0.6
61.23234	0.1
61.98838	100.0
67.39067	0.1
71.01388	0.1
83.05039	0.2
92.10793	0.4
93.41272	0.1
100.45598	0.1
101.02415	0.1
114.39298	0.1
117.03511	0.8
118.03805	0.2
121.02937	0.1
143.87573	0.1
145.02991	2.1
146.03297	0.7
191.05634	0.1
209.11887	2.2
210.12219	1.4
211.12367	0.6
227.12955	0.2
295.08163	0.1
373.29321	0.1
406.94598	0.1
454.72656	0.1
698.19885	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	735.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21784	0.4
59.01364	0.4
59.84621	0.5
61.98837	0.9
63.32230	0.4
64.74868	0.5
73.02955	0.8
99.92581	10.0
116.92863	100.0
117.01934	2.6
118.51343	0.5
145.03038	0.7
190.82819	0.6
262.59116	0.6
313.68442	0.6
359.72272	0.6
735.39899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	55.7
67.29839	1.3
71.01379	32.9
72.38500	1.6
73.02959	3.4
77.76572	1.6
85.02962	7.0
87.00899	7.6
89.02442	35.8
95.35583	1.4
97.02965	3.8
99.00936	1.9
101.02444	21.5
113.02467	13.5
119.03513	8.2
125.02464	10.1
143.03535	2.4
159.49274	1.4
161.04536	2.5
179.05658	2.8
235.08290	6.6
277.21762	100.0
397.13614	88.3
415.14703	28.9
675.36304	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	735.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
59.27541	1.1
61.07682	1.0
61.98847	1.9
76.57407	1.7
77.54471	1.1
89.07893	1.1
95.57145	1.3
96.95999	1.6
99.92644	1.6
116.92863	25.5
172.87692	1.3
227.73019	1.2
234.23396	1.4
265.14609	1.5
267.20273	1.2
400.12930	1.2
633.41132	1.4
670.25812	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82524	16.3
53.64478	18.2
53.64761	15.8
54.82978	18.8
56.61085	15.5
59.01402	89.5
59.66411	16.7
61.98843	100.0
67.77055	18.1
70.84027	17.0
83.05029	23.6
92.10682	31.3
109.06593	20.2
110.22783	22.2
110.96365	16.5
121.02945	24.8
179.10939	23.7
186.31567	19.0
197.11852	70.8
207.10435	32.2
209.11890	29.9
225.11307	27.0
248.83586	23.5
300.37292	21.5
444.04993	19.0
649.28375	23.2
667.29602	46.6
681.32062	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70189	0.4
55.01888	7.4
57.03456	4.8
58.00607	1.1
58.31987	0.4
59.01387	29.7
71.01383	55.3
72.99309	0.7
73.02948	20.3
75.00905	0.9
83.01395	12.5
85.02954	37.2
86.00140	0.5
87.00890	2.4
89.02444	3.5
95.01382	4.5
97.02990	0.8
99.00890	9.7
101.02444	48.8
107.05045	1.1
113.02458	23.9
125.02468	0.7
129.01978	1.1
143.03490	1.1
159.02965	3.7
161.04575	17.2
161.05865	0.9
191.05634	5.6
269.10339	13.4
313.09354	100.0
314.09601	1.1
333.02524	0.5
341.26755	0.5
346.72507	0.5
438.96570	0.6
732.69299	0.6
769.99652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98398	0.2
59.01412	0.3
59.30735	0.2
61.55122	0.2
65.41312	0.2
66.05476	0.2
71.78983	0.2
73.02956	0.9
99.00874	0.2
99.92600	8.9
112.27193	0.2
114.93417	0.9
116.92872	100.0
117.01944	1.0
117.92868	0.9
142.53111	0.2
206.61742	0.2
255.23351	0.5
256.23721	0.4
497.41211	0.3
727.35571	0.3
735.44482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05064	0.3
79.96436	0.3
93.06078	0.3
114.08971	0.3
157.07764	0.9
165.19916	0.4
165.25381	0.4
167.57864	0.4
173.03592	3.9
183.05664	8.9
191.05627	4.2
199.08809	0.6
215.04668	31.2
225.06685	1.5
243.07813	4.4
287.06790	100.0
288.07004	0.6
334.57632	0.4
549.94745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02877	0.4
57.03469	3.5
59.01402	5.7
63.48532	0.5
67.65121	0.4
69.03476	1.2
71.01389	3.8
74.02501	0.5
77.51624	0.5
81.03487	4.7
83.01411	5.7
85.02979	2.3
89.02480	3.2
89.88723	0.5
91.51486	0.5
93.03474	4.2
95.01431	2.2
95.05038	7.4
96.96042	0.6
97.02961	8.6
99.04540	0.5
101.02464	3.4
101.35217	0.5
107.05094	2.1
108.02178	0.9
109.02969	41.9
111.04607	0.8
113.02449	0.9
117.03484	2.3
119.05049	5.6
121.02966	11.2
123.04530	26.9
125.02445	25.2
133.02945	1.2
134.03740	7.9
135.03003	1.2
135.04543	4.9
137.02461	14.6
138.03278	1.0
138.91837	0.5
139.04018	6.2
145.02985	2.9
146.03746	1.4
149.02457	9.0
149.06142	0.8
150.03284	0.8
151.04021	15.3
159.04515	4.9
160.05264	3.3
161.02478	6.4
161.06087	8.2
162.03285	2.1
163.04037	6.1
163.61984	0.6
164.01143	5.3
165.01952	6.9
167.03545	3.1
173.04628	1.0
173.06108	1.2
174.03174	1.0
175.04018	3.9
175.07660	3.4
177.05618	0.7
179.03531	9.9
179.05571	1.0
185.06122	2.1
187.04016	7.7
188.04781	5.3
191.05637	8.7
193.05057	6.9
199.07788	0.7
201.05627	0.7
202.06409	2.8
203.07193	19.6
205.05077	10.7
212.04807	0.9
221.08272	4.4
227.07159	3.3
230.05922	2.0
245.08232	21.2
271.06400	0.7
289.07220	100.0
307.21524	0.5
323.10034	0.7
325.09177	0.6
327.08652	1.1
367.10452	2.4
427.18246	0.9
445.13602	3.1
516.40350	0.7
735.20459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41578	2.1
55.86570	2.1
62.49004	2.4
66.32208	3.1
67.60511	2.8
76.87651	2.6
78.95905	21.0
96.97044	3.1
108.60110	2.7
108.62518	2.9
136.29080	3.2
152.99583	11.5
277.21771	100.0
298.93265	3.8
418.65247	3.2
734.47803	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22358	1.4
60.43466	1.3
62.78377	1.4
70.97713	1.9
77.85270	1.5
78.86175	1.7
78.95924	8.6
122.45075	1.7
124.27029	1.6
127.52811	1.5
140.01225	3.1
277.21744	100.0
365.07321	2.0
474.26624	2.4
634.79779	2.2
734.47748	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30904	0.3
58.02983	0.5
59.01388	5.7
60.46656	0.2
60.98724	0.2
61.11351	0.3
66.41599	0.3
66.97210	0.3
71.01375	3.1
72.99300	2.6
73.31219	0.3
74.02490	1.7
75.00873	34.7
85.02964	0.5
87.00880	0.6
89.02451	7.3
93.03456	6.4
96.96043	1.4
96.99336	0.5
108.02220	0.4
109.02984	0.4
113.02469	0.4
116.03519	0.4
116.05089	0.7
117.01975	2.2
117.02676	0.4
119.05032	18.8
121.02972	4.8
127.76183	0.3
131.05029	0.7
132.04881	0.3
132.05804	1.0
133.06549	0.3
135.03012	100.0
137.02473	0.7
143.05034	2.9
145.03012	0.7
145.06606	2.8
147.04575	0.7
148.39456	0.4
163.04021	14.6
165.05615	0.7
177.05649	0.5
191.05551	3.0
203.08234	2.4
211.07689	12.5
221.09694	0.4
223.07684	1.3
237.09232	5.5
239.10837	1.9
245.09383	3.7
253.08690	1.3
265.08829	2.7
283.09811	9.5
294.47635	0.3
327.08792	32.4
328.09174	0.4
441.34586	0.4
445.11450	9.5
498.47076	0.4
543.18317	0.4
661.00946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	21.6
61.98829	26.5
64.42543	2.3
69.03490	6.5
71.01385	5.5
73.02969	3.1
81.03481	4.9
83.05033	6.4
91.10353	2.6
95.05059	3.6
96.95963	3.3
97.02950	4.8
98.18742	3.1
101.02429	2.7
121.03030	3.1
122.98402	2.7
123.08208	3.3
125.09756	5.6
126.76292	2.8
130.03682	2.9
145.03033	4.3
151.11247	3.1
169.12399	11.3
173.04553	3.6
179.10785	35.4
183.13997	2.9
197.11836	15.0
205.08563	4.4
207.10274	4.5
209.11861	100.0
215.66914	2.7
223.09792	40.3
227.12950	6.4
253.09248	5.3
255.12314	4.1
290.60028	3.1
307.91446	3.3
330.34927	3.1
403.22852	3.2
459.18881	13.2
463.83640	2.8
467.92084	3.6
499.53506	3.6
651.30182	20.6
669.31085	29.1
754.08533	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	733.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19286	1.9
57.03467	2.8
58.96945	2.2
58.97339	2.4
59.01393	15.3
68.21592	2.2
71.01393	10.3
71.48966	1.9
72.99325	4.0
75.00890	11.8
85.02968	20.4
87.00893	3.4
89.02425	3.5
89.07091	2.4
92.10114	6.8
99.00884	10.5
113.02466	20.7
114.93394	10.9
115.00358	3.1
161.01816	2.7
194.01570	2.8
201.11337	17.4
209.11816	22.7
255.23351	100.0
277.92261	2.8
350.94998	3.2
532.33173	2.8
715.43005	43.6
733.44061	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.5791
Annotation	Unknow
Peak:m/z	Relative Intensity
79.32124	0.3
102.67094	0.3
116.92896	0.4
154.12753	0.4
277.21796	3.7
455.35406	100.0
456.35794	1.9
555.52930	0.4
736.08582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05156	0.1
59.01388	0.7
61.98838	100.0
70.26476	0.1
71.01378	0.3
83.05024	0.3
87.78159	0.1
93.03484	0.2
95.93085	0.2
97.65820	0.1
101.02454	0.3
109.06577	0.2
113.02440	0.2
117.98517	0.1
119.95883	0.1
121.02986	0.2
126.33443	0.1
128.35400	0.2
131.41959	0.1
137.02440	0.2
145.02910	0.2
163.11275	0.2
191.05527	0.2
207.10301	0.6
208.10622	0.6
209.11911	2.4
210.12242	1.1
211.12366	0.3
225.11412	0.3
226.11859	0.2
269.56439	0.2
488.68774	0.2
611.25140	0.2
673.33868	0.2
740.44305	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54108	2.1
52.97000	2.1
74.52161	2.1
78.95918	3.5
80.60268	2.3
82.17960	2.2
96.96000	14.8
99.92584	31.9
100.93366	5.7
107.54752	2.5
112.27888	2.5
114.93413	3.4
115.92091	100.0
116.92869	17.0
119.05026	4.0
134.69414	2.7
145.02969	5.7
156.58389	2.6
253.35112	2.8
361.43768	2.8
428.45667	2.8
581.59662	3.4
587.38013	3.2
733.30505	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.3
55.67918	0.3
57.03442	0.4
58.00614	0.5
59.01385	27.9
71.01382	13.0
72.99319	0.8
73.02959	0.4
75.00877	0.3
79.49432	0.4
83.01405	0.4
84.04899	0.3
85.02946	3.4
87.00895	0.5
88.01671	0.3
88.53545	0.3
89.02444	16.2
91.05557	0.3
92.10776	1.1
93.03491	0.4
95.01406	1.3
96.93343	0.3
101.02451	9.3
113.02462	5.7
119.03525	5.7
119.05037	2.9
137.02431	1.6
145.02992	1.5
147.04539	86.0
148.04907	0.5
165.05576	11.8
177.90482	0.4
197.69916	0.3
203.65016	0.4
229.62657	0.4
327.10919	100.0
328.11136	1.3
389.46579	0.4
447.85312	0.3
539.05933	0.4
555.59747	0.5
757.30774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96974	3.3
55.09373	2.7
57.03875	2.8
59.01397	6.4
59.03004	2.6
60.08281	2.7
82.47208	3.5
82.64952	2.9
91.57623	3.0
105.51620	3.5
116.92875	4.0
145.26898	3.0
156.96552	3.1
162.14177	3.3
164.56946	3.1
192.39816	3.1
409.39487	3.5
455.17654	7.3
457.18869	8.2
469.11725	4.7
470.16254	4.2
473.18591	18.5
474.15390	4.4
485.17752	4.1
496.14053	4.4
511.16693	6.1
512.13556	41.1
514.73285	3.8
526.14874	22.2
527.16046	6.4
583.18671	6.9
599.20612	6.4
614.20416	100.0
615.20984	22.7
646.19299	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	733.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46201	0.5
59.01387	100.0
61.98831	5.1
71.01384	4.5
73.02932	0.8
75.00861	1.1
75.72757	0.6
76.55675	0.8
85.02952	1.6
87.00888	2.6
87.80720	0.9
89.02460	1.1
93.03470	3.5
96.96018	1.6
97.54513	0.7
101.02427	1.7
113.02470	2.8
119.05038	2.8
121.02951	10.1
122.03751	3.8
125.02399	1.0
132.02197	0.9
133.02963	1.3
135.02979	0.8
135.04485	3.0
137.02498	1.3
145.02960	3.7
147.04649	0.6
149.02449	47.7
150.03238	42.5
151.04007	1.0
153.21487	0.6
161.02472	0.9
163.04080	1.3
164.04794	17.2
165.05579	51.2
173.04590	1.2
177.04092	0.8
179.03574	1.0
180.04279	3.3
181.05042	5.3
191.05649	4.1
193.08711	3.8
195.06644	32.3
196.07426	5.3
197.08226	1.0
209.11798	1.0
210.06873	0.8
211.07768	1.6
211.09784	5.3
284.03156	0.9
285.03687	0.9
313.11182	1.0
344.12726	11.8
359.15079	61.9
360.15311	1.3
389.15967	0.9
407.11954	1.4
407.17184	33.6
463.17523	2.3
525.27106	1.0
543.28174	3.6
561.29034	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19116	0.5
59.01401	0.9
61.98838	100.0
62.09641	0.7
83.99174	0.6
91.72377	0.7
116.33997	0.8
121.03030	0.7
150.16583	0.7
154.69670	0.6
173.04500	1.1
178.95030	0.7
209.11877	3.2
223.13435	0.8
671.12854	1.0
748.83551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26709	0.3
58.15926	0.4
59.01394	0.5
61.98837	100.0
65.06416	0.3
70.11398	0.3
209.11832	1.0
210.12257	0.7
223.13438	0.6
224.13574	0.5
225.11273	0.4
429.20645	0.5
501.15009	0.5
715.05737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82556	0.2
59.01390	1.7
70.22005	0.2
71.01396	1.1
75.00878	1.0
75.89188	0.2
79.95745	2.0
85.02983	0.4
87.00860	0.3
88.98820	0.5
89.02444	0.3
93.03460	1.3
96.96008	100.0
101.02408	0.4
102.42750	0.2
109.02993	0.6
111.04501	0.2
113.02478	0.4
116.92815	0.3
117.10805	0.3
119.05007	0.3
121.02954	1.6
124.92078	0.2
135.04550	0.6
137.02496	0.3
148.41183	0.2
151.04054	0.2
153.01909	0.2
161.02443	0.3
163.03929	0.7
173.04604	0.5
177.04091	0.3
185.06010	0.3
191.05624	1.7
227.03523	0.4
229.05032	1.3
255.02939	0.5
257.04559	0.4
284.03183	1.1
285.04132	5.7
425.83359	0.3
561.28918	0.3
598.89233	0.3
635.16101	2.3
733.36737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61848	1.1
58.92651	1.1
59.01381	11.3
61.98840	5.1
69.91190	1.0
70.76590	1.3
71.01397	7.1
73.02988	1.3
79.56695	1.1
81.03462	1.6
83.05045	8.5
83.91172	1.3
85.02972	1.9
85.42341	1.1
86.80260	1.2
89.02456	5.2
93.03438	4.4
96.34368	1.1
97.02973	7.5
99.00892	6.3
101.02470	5.8
106.26402	1.3
109.02979	2.2
109.06604	11.0
110.03740	1.2
113.02469	2.1
121.02969	6.9
121.06553	1.6
125.09694	4.5
135.04552	2.3
135.08168	2.0
142.02747	1.7
151.07631	2.2
153.01921	2.0
156.77589	1.3
161.04597	1.8
162.76257	1.2
163.04012	1.7
163.11310	18.3
165.12859	1.8
171.10301	2.2
173.04582	5.2
179.10863	1.8
181.12364	18.3
195.68088	1.2
197.11739	1.3
199.13361	1.8
207.10295	61.7
209.11864	100.0
210.12195	1.7
225.11365	66.7
227.12897	10.6
243.12404	7.4
253.09309	2.7
308.84500	1.2
339.31985	1.4
348.60541	1.2
391.25415	1.5
417.22610	1.9
459.15457	1.3
461.20395	20.0
500.76566	1.2
635.30774	2.9
653.31580	15.6
671.32898	15.3
723.46765	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25265	5.2
57.12996	5.3
57.88065	4.0
61.98837	100.0
80.89572	5.3
97.66678	6.0
104.84932	4.7
105.86487	5.3
147.50003	5.6
255.23444	10.3
257.73184	5.8
318.23160	5.6
731.43097	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	731.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67467	0.9
59.01387	92.4
61.98835	16.6
63.42836	0.9
67.01909	1.2
68.14966	1.0
71.01393	3.6
73.02975	1.3
74.30840	0.9
85.02953	3.6
89.02448	1.7
92.10822	2.0
93.03457	9.6
96.96014	2.3
101.02446	2.4
101.45660	1.0
108.02196	1.7
109.02969	1.2
111.04533	1.5
113.02507	1.6
114.06113	1.1
117.03475	4.5
119.05035	6.4
121.02954	28.2
122.03763	9.1
123.04532	2.0
133.02931	1.1
135.04585	7.1
137.02483	5.2
145.03001	9.5
149.02461	30.3
150.03239	85.3
152.01180	1.2
161.02414	12.9
161.09740	1.0
163.03998	5.5
164.04781	12.6
165.05582	100.0
173.04553	6.4
175.04033	1.1
176.04793	10.7
177.05621	1.1
179.03511	20.1
180.04295	8.3
191.05626	11.7
191.07236	3.9
194.05843	15.8
195.06651	73.4
201.38416	1.0
205.08731	1.5
209.08211	32.7
211.07706	6.1
285.03937	1.5
342.11218	6.0
352.08411	1.1
357.13535	34.2
389.16113	1.3
405.15649	25.6
496.96390	1.2
497.04279	1.1
501.13992	1.0
670.68011	1.1
731.32294	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	731.2584
Annotation	Ilicifoline
Peak:m/z	Relative Intensity
51.95179	2.5
57.09320	2.8
59.01386	100.0
59.01659	5.8
61.98846	3.4
66.37757	3.3
75.77867	3.1
91.56934	3.9
111.99613	3.2
211.96280	3.7
496.13535	5.2
539.15747	4.2
553.17017	3.9
598.20892	5.9
630.20221	5.2
671.23608	22.3
731.25793	84.3
731.37158	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	731.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.8
61.76947	0.2
68.81430	0.1
71.01385	17.3
72.01743	0.2
75.00886	0.2
85.02946	0.6
87.00874	0.3
89.02465	0.3
93.03477	1.0
95.58065	0.2
101.02452	0.2
115.00382	8.2
115.50246	0.2
121.02965	100.0
122.03301	1.4
133.06693	0.2
135.03058	0.2
163.04025	0.2
164.34531	0.1
191.05652	2.3
229.18205	0.2
237.04088	11.6
238.04428	0.2
276.29694	0.2
310.12146	0.2
527.37482	0.2
657.31873	0.2
693.55554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24228	0.5
59.01394	93.7
61.98843	0.8
69.62512	0.4
71.01389	0.9
85.02958	0.6
89.02448	0.6
93.03486	3.1
95.27408	0.6
105.03484	0.9
108.02210	1.2
109.02981	0.6
119.05070	0.5
121.02960	12.2
122.03735	7.4
123.04591	0.5
124.01640	0.7
132.94763	0.6
133.03012	2.3
135.04523	1.2
136.01660	0.8
137.09625	0.5
145.02965	1.0
147.48578	0.6
149.02452	40.0
149.17232	0.5
149.20430	0.6
150.03239	82.7
150.49071	0.6
151.03966	2.6
152.01227	0.7
153.05562	0.6
160.05260	0.7
161.02432	11.5
163.04031	1.0
163.07619	0.7
163.27353	0.5
164.04808	11.3
165.05579	100.0
173.04448	0.9
175.07660	2.5
176.04765	7.3
179.03513	20.1
180.04276	9.1
181.05467	0.5
191.05643	2.7
191.07198	3.0
193.08748	0.8
194.04132	1.0
194.05870	21.6
195.06644	76.6
209.08223	39.6
209.10280	0.8
281.46384	0.6
313.10782	0.8
327.08899	0.8
342.11050	9.1
352.08252	0.8
357.13498	47.0
358.13889	1.1
405.15607	18.9
724.22321	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31218	1.0
59.01390	14.1
61.98839	4.9
65.00326	1.6
71.01399	6.8
74.00819	1.0
77.08601	1.1
77.34172	1.2
83.05021	1.6
83.15968	1.1
89.02458	1.8
89.57579	1.2
91.01889	23.1
91.02345	1.4
92.10780	2.8
93.03484	2.1
97.02950	2.2
101.02428	2.9
106.75512	1.2
108.02189	19.7
109.02957	14.8
109.06597	10.2
113.02456	1.6
119.05042	2.1
121.02954	15.0
123.00896	7.2
125.09708	1.7
130.51857	1.1
135.00905	37.3
135.04515	5.3
137.02464	5.5
151.07724	2.2
152.01180	19.2
153.01958	24.7
161.04544	1.3
162.70290	1.4
163.11331	8.4
173.04649	2.1
177.01900	1.7
191.05672	2.2
197.06113	1.8
197.11740	1.3
207.10297	25.8
209.09850	1.9
209.11870	51.0
210.12346	1.6
225.11314	15.5
227.12836	3.1
243.06657	100.0
253.09412	1.6
297.06329	2.6
318.02014	1.4
461.19983	2.5
509.14667	37.1
563.14038	2.3
653.32300	2.8
671.33087	6.4
698.34003	1.5
699.34857	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	731.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05543	4.0
60.08668	3.7
60.46221	4.0
60.99324	23.0
61.98834	8.2
67.60941	3.8
78.95905	5.3
86.69308	4.5
87.00901	18.8
88.98797	100.0
89.02455	38.2
90.15288	3.8
96.96031	19.0
107.43659	4.3
119.35799	4.4
145.02988	4.7
166.40019	4.6
203.58871	4.3
481.15143	29.8
482.15747	8.6
514.15009	18.3
555.18921	55.0
572.15387	8.0
659.23572	38.8
731.23907	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	731.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67467	0.9
59.01387	92.4
61.98835	16.6
63.42836	0.9
67.01909	1.2
68.14966	1.0
71.01393	3.6
73.02975	1.3
74.30840	0.9
85.02953	3.6
89.02448	1.7
92.10822	2.0
93.03457	9.6
96.96014	2.3
101.02446	2.4
101.45660	1.0
108.02196	1.7
109.02969	1.2
111.04533	1.5
113.02507	1.6
114.06113	1.1
117.03475	4.5
119.05035	6.4
121.02954	28.2
122.03763	9.1
123.04532	2.0
133.02931	1.1
135.04585	7.1
137.02483	5.2
145.03001	9.5
149.02461	30.3
150.03239	85.3
152.01180	1.2
161.02414	12.9
161.09740	1.0
163.03998	5.5
164.04781	12.6
165.05582	100.0
173.04553	6.4
175.04033	1.1
176.04793	10.7
177.05621	1.1
179.03511	20.1
180.04295	8.3
191.05626	11.7
191.07236	3.9
194.05843	15.8
195.06651	73.4
201.38416	1.0
205.08731	1.5
209.08211	32.7
211.07706	6.1
285.03937	1.5
342.11218	6.0
352.08411	1.1
357.13535	34.2
389.16113	1.3
405.15649	25.6
496.96390	1.2
497.04279	1.1
501.13992	1.0
670.68011	1.1
731.32294	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	729.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68540	1.3
51.36009	1.5
51.63284	1.5
56.64506	1.3
59.01397	9.3
61.98852	6.2
66.06696	1.7
67.21474	1.4
71.01404	3.0
76.57173	1.6
80.02675	2.0
80.66869	1.4
81.03474	2.0
83.05054	6.4
83.98121	1.4
85.02983	2.0
88.17794	1.4
89.02463	2.8
113.02448	2.8
116.92860	6.5
121.02984	7.2
163.11255	3.5
179.14491	3.3
191.05710	2.3
195.13887	13.4
205.12383	10.6
208.83379	1.7
209.11865	85.7
212.81953	1.9
223.13437	100.0
227.12971	8.3
230.89192	1.8
235.08250	2.7
253.09332	8.8
395.16016	1.8
459.22443	15.1
633.38330	2.2
651.34015	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89959	4.1
55.17471	4.3
66.73346	4.2
67.94267	4.3
79.60384	4.9
82.60480	5.0
85.02963	8.6
91.04726	5.1
99.00861	8.3
100.33581	5.0
109.38788	4.7
179.10780	8.9
197.11833	44.9
208.00629	5.4
229.25343	5.2
253.14232	6.5
254.08873	6.1
255.23340	68.4
588.38049	6.5
639.22064	6.9
729.40717	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	729.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83087	0.3
55.01884	0.3
59.01392	5.1
61.98844	2.3
69.03476	0.5
71.01387	2.5
73.02967	0.3
80.02682	0.6
81.03471	1.7
83.01399	0.8
83.05036	4.6
84.02190	1.4
89.02462	2.3
91.05159	0.3
93.03496	0.3
93.58993	0.3
95.05042	1.7
101.02473	3.5
109.06614	0.3
113.02449	0.8
116.92882	0.6
119.03506	0.4
121.02969	1.5
125.06087	0.4
161.04526	1.5
163.11316	4.6
165.12878	3.4
167.10803	1.5
171.10342	0.6
179.05611	0.4
179.10822	0.5
179.14433	1.7
191.10852	0.7
195.13898	5.1
205.12347	4.3
209.11867	100.0
210.12141	0.7
223.13419	35.3
225.84607	0.4
227.12897	10.3
235.08243	2.1
253.09320	6.1
344.17868	0.3
373.31430	0.4
381.92587	0.4
441.21393	0.7
445.20926	2.2
459.22653	2.1
463.21915	0.4
487.68961	0.4
633.32990	0.5
651.33984	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33938	0.5
54.83199	0.6
55.01886	0.8
57.03451	7.0
58.00608	1.4
59.01389	17.2
61.96854	0.5
69.03464	1.1
71.01380	17.5
72.99331	4.0
73.02955	3.3
75.00872	50.6
82.85780	0.5
83.01414	2.6
84.02199	0.8
85.02952	17.0
85.57868	0.5
87.00884	10.4
87.04530	3.8
89.02443	7.0
92.10065	0.9
93.03462	1.3
97.02964	3.7
97.06596	0.8
99.00888	8.3
101.02453	6.0
103.00384	0.8
107.11819	0.6
109.02979	0.8
111.00876	1.0
113.02457	3.0
113.06079	1.1
113.57685	0.6
115.04042	0.8
119.03486	0.9
121.02932	0.7
123.08167	1.3
125.09727	15.0
127.11290	0.8
129.01945	13.5
141.01968	3.6
153.09224	0.8
155.10828	5.4
157.12413	0.6
159.03017	3.4
171.10303	3.5
173.04543	0.7
177.04059	49.9
179.03329	0.6
179.86792	0.6
183.10292	4.3
183.13876	1.0
191.05699	4.2
199.09750	0.8
201.11359	100.0
202.11763	1.1
215.12857	3.4
224.84082	0.6
269.14093	1.4
343.14148	3.9
353.08551	0.6
371.24551	0.9
379.16162	10.9
389.25104	1.0
466.41458	0.7
533.29840	3.2
551.31171	4.0
579.16620	0.8
693.33667	2.8
694.35083	0.7
729.35736	95.0
730.36426	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	729.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.8
57.03465	8.6
58.00610	3.3
59.01395	18.9
62.28718	0.5
66.37112	0.6
67.01892	0.6
69.03481	2.2
71.01389	20.8
72.99313	4.2
73.02953	4.9
75.00878	51.4
83.01413	3.0
83.81793	0.5
84.02187	0.8
85.02962	16.2
85.06602	0.5
87.00873	11.0
87.04528	3.6
89.02464	6.4
91.01898	2.7
91.65755	0.6
93.03474	1.4
95.01393	0.6
95.05010	0.5
97.02947	2.6
97.06566	0.6
99.00899	6.6
101.02446	7.7
103.00362	0.7
105.01919	0.9
109.02950	5.2
111.00880	2.2
113.02483	2.1
113.06140	0.9
121.02966	1.4
123.08192	0.9
125.09737	15.2
127.11245	0.7
129.01953	13.3
135.00925	6.5
135.04494	0.7
137.02431	0.8
137.09755	0.9
141.01953	2.5
143.05054	0.6
147.04538	0.7
153.01974	6.4
153.09201	0.6
155.10864	4.6
159.03032	3.9
161.04515	0.9
171.10217	4.3
177.04070	52.0
183.10306	3.0
183.13889	0.9
185.11821	0.5
191.05652	3.5
195.05144	1.1
197.06204	0.5
199.09779	0.8
201.11360	100.0
202.11833	0.6
215.12923	3.6
253.08772	3.8
269.14050	0.9
293.64966	0.5
301.03549	0.6
343.14124	1.3
361.15057	0.6
371.24509	0.8
379.16144	11.0
380.16760	0.6
403.74377	0.5
533.29688	5.4
551.30627	4.9
634.50415	0.7
693.33075	2.6
729.35767	85.8
730.35852	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	729.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94116	0.4
54.82899	0.4
55.01879	0.8
57.03451	0.5
58.00602	0.7
59.01387	56.0
62.59355	0.4
71.01006	1.2
71.01388	27.9
72.99324	2.2
73.02946	1.3
80.30089	0.5
83.01380	2.0
85.02969	6.9
86.39736	0.5
87.00890	1.1
89.02449	38.7
92.10741	1.0
93.03445	2.1
95.01394	1.9
96.96027	7.4
101.02444	22.7
109.02977	0.8
111.04464	0.5
113.02460	14.1
119.03504	14.8
119.04946	4.2
121.02959	2.1
131.03508	0.7
134.03813	0.6
135.02943	0.6
135.04532	3.0
143.03534	1.1
149.04565	0.6
152.01141	0.5
161.04524	1.0
161.08167	0.5
163.03986	4.6
171.21255	0.5
173.04591	3.6
173.05838	0.5
177.03923	0.6
179.03516	2.0
179.05673	1.3
191.05733	4.5
201.47446	0.5
259.06424	0.6
323.13538	100.0
324.13821	1.8
353.08807	0.8
360.66422	0.6
432.11783	0.6
441.19110	0.9
531.45837	0.6
532.96051	0.6
736.67468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81953	0.3
59.01382	1.6
59.18938	0.3
64.78593	0.4
71.01374	2.3
72.99295	0.3
73.02943	1.3
80.72546	0.3
81.03479	0.7
83.01382	0.4
85.02956	5.3
87.00880	1.3
89.02450	0.5
93.03445	1.9
95.01385	1.8
96.96019	0.7
99.00876	0.5
101.02455	1.6
108.02179	79.7
109.02965	28.5
111.04499	0.4
113.02422	0.7
121.02971	0.7
123.04501	0.5
125.02422	0.3
127.03999	0.5
133.02930	1.7
133.95753	0.3
135.04521	1.8
151.04027	2.0
152.01166	75.1
153.01955	28.5
161.02432	0.5
163.04024	2.2
165.01936	2.2
173.04552	0.4
181.05017	0.3
191.05638	46.7
192.06049	0.5
195.02933	0.4
199.21109	0.3
250.98836	0.4
315.07288	100.0
316.07629	1.5
353.02173	0.7
353.08792	3.6
669.10114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.3
57.03458	0.7
58.00615	0.7
59.01386	56.6
71.01383	27.5
71.25050	0.3
72.99326	1.7
73.02933	0.5
73.50812	0.3
75.00851	0.4
76.34782	0.3
83.01406	1.9
85.02956	7.0
87.00890	1.7
89.02446	35.6
93.03476	1.6
95.01403	2.7
96.96017	2.2
99.00929	0.4
99.08131	0.4
101.02447	22.5
109.02990	0.4
111.04469	0.3
113.02460	13.5
119.02659	0.6
119.03505	17.3
119.04910	2.8
121.02966	1.8
125.02464	0.6
131.03535	0.6
133.02936	0.6
135.03018	0.4
135.04552	2.5
137.02448	1.1
143.03496	1.3
143.07114	0.4
149.04616	0.6
153.01923	0.4
161.08238	0.7
163.04037	2.1
173.04596	3.1
175.03990	0.3
179.03522	1.5
179.05608	1.7
191.05643	4.0
200.69240	0.3
268.81696	0.3
271.60489	0.3
289.07208	0.5
323.13531	100.0
324.13898	0.7
353.08795	1.5
576.17938	0.4
694.76630	0.3
714.86572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82774	0.4
59.01385	2.1
64.84256	0.5
69.03446	0.8
70.58532	0.4
71.01385	1.9
75.00881	2.9
84.38116	0.5
85.02950	0.8
93.03460	16.5
96.99319	2.9
97.02984	0.5
99.14254	0.5
101.02481	0.8
106.04220	0.7
119.05030	79.8
119.16669	0.5
120.05325	0.6
121.02959	7.6
123.04514	0.8
131.05045	3.5
132.05815	1.9
133.02939	2.1
135.04538	2.0
137.02452	0.8
143.05037	9.9
145.02927	1.1
145.06622	1.8
147.04489	0.5
163.04027	60.1
165.04333	0.5
191.05608	1.7
201.11383	1.0
209.06123	0.7
211.07689	5.3
221.09674	1.9
234.82198	0.6
235.07681	2.9
237.09196	6.4
239.10785	2.7
265.08743	10.5
283.09772	11.2
307.05103	0.5
309.07733	2.8
327.08807	100.0
328.09235	2.6
329.76602	0.5
341.08823	4.6
466.68210	0.5
573.63367	0.5
689.19061	0.7
729.36316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.4
71.01392	1.2
75.00866	0.3
89.02461	0.3
90.64613	0.2
91.38195	0.2
93.03466	4.8
96.99315	0.4
101.02447	0.3
106.04254	1.5
108.02167	0.6
117.03513	0.4
119.05032	100.0
120.05353	0.5
121.02979	2.9
131.05023	0.6
132.05855	1.9
133.06694	0.4
135.02975	0.5
137.02431	0.4
143.05013	1.8
145.06596	2.7
163.04030	80.3
164.04330	0.4
191.05638	1.4
209.06111	0.5
211.07700	2.7
221.09737	1.6
237.09256	3.8
239.10757	3.8
253.09052	0.3
262.91843	0.3
265.08777	0.7
283.09808	14.3
300.22943	0.3
321.79071	0.3
327.08807	83.0
328.09030	2.0
351.05841	0.3
524.94739	0.3
616.98315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08875	0.4
57.03464	5.7
59.01394	16.1
65.55461	0.4
68.98978	0.5
71.01389	14.3
72.99323	2.6
73.56806	0.5
75.00874	23.0
83.01391	0.9
84.02184	0.8
85.02954	12.6
87.00879	8.2
89.02452	6.0
93.03461	1.3
97.02991	0.6
99.00886	4.7
101.02440	5.2
109.02975	0.9
111.00872	0.7
111.04411	0.6
113.02450	1.3
117.01966	1.0
119.03490	0.7
119.05032	3.6
121.02957	100.0
122.03238	2.2
129.01939	7.1
134.03738	16.2
135.03003	3.5
135.04523	2.1
136.05348	4.5
137.02455	3.1
139.03995	0.8
141.01904	0.7
145.02960	0.7
147.02998	4.7
147.04445	0.6
148.05260	0.5
149.06088	3.8
159.03047	1.4
160.01666	4.8
161.02449	0.6
161.04614	0.8
162.03221	7.5
163.04042	4.2
173.04562	0.8
175.04050	7.1
176.04778	1.1
177.04080	39.4
177.05515	3.7
178.02765	7.1
178.04314	0.9
180.04312	7.6
181.05034	0.8
191.05602	4.3
191.07086	1.3
193.05087	21.1
195.05087	1.3
206.74901	0.5
226.06514	0.8
235.06166	2.5
251.06866	0.6
255.10324	2.0
269.06686	13.5
299.07736	15.3
343.10666	3.9
353.08774	1.0
375.84549	0.6
408.31158	0.6
693.20496	0.8
729.22717	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66210	0.7
57.03469	5.2
59.01387	15.8
63.72112	0.6
68.17823	0.8
68.23885	0.8
68.50065	0.7
71.01395	15.4
72.99326	1.9
75.00883	19.4
78.23464	0.8
81.29612	0.7
83.01388	1.1
85.02976	12.7
87.00875	7.1
89.02463	8.7
99.00854	6.0
101.02461	5.7
109.02980	1.9
110.63834	0.8
111.00900	0.9
113.02516	1.3
113.47861	0.7
119.03550	1.3
119.05032	3.3
121.02959	100.0
122.03275	1.9
127.07584	0.8
129.01959	10.7
134.03745	15.1
135.03073	1.5
135.04538	1.9
136.05331	7.9
137.02469	1.3
137.06126	1.0
145.02959	0.9
145.44839	0.9
147.02979	5.0
149.06105	5.4
159.03036	1.1
159.04347	1.0
160.01634	2.0
162.03214	7.7
163.04033	5.8
172.55898	0.9
173.04483	1.3
175.04074	7.0
176.04742	1.7
177.04095	32.3
177.05592	3.9
178.02727	6.8
180.04320	15.5
181.05006	1.9
191.05634	3.6
191.07153	2.7
193.05072	17.4
211.45453	0.8
235.06082	1.3
255.10225	4.3
269.06702	12.1
299.07855	13.5
343.10672	8.4
353.08844	1.1
530.43542	1.1
601.16589	1.0
729.22528	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29953	0.9
53.68516	1.0
57.18330	1.0
59.01387	46.5
59.14748	0.9
61.98845	5.7
67.24555	1.0
71.12286	1.2
74.17216	1.0
78.60997	1.1
78.95926	1.2
81.85556	1.0
89.02396	1.7
101.02462	1.7
124.43385	1.2
146.90117	1.0
148.74512	1.2
171.10278	100.0
189.87370	1.4
253.09319	5.1
271.22818	37.3
277.21762	50.6
302.38974	1.2
359.55957	1.2
455.35449	33.4
727.42786	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83203	1.0
56.62533	0.7
59.01391	3.8
67.01910	1.0
71.01379	1.0
78.95927	3.7
79.41969	0.7
85.02950	7.4
87.00886	4.8
93.03471	7.1
96.96031	1.8
96.96920	0.9
97.02956	0.7
99.97552	0.8
107.05030	1.0
109.84299	0.8
111.04558	1.4
114.40242	0.8
116.66666	0.9
119.05060	1.2
121.02962	1.6
127.04059	1.6
133.02959	9.7
133.60374	0.8
134.03761	9.0
135.04543	47.5
155.03531	0.8
157.05122	0.9
161.02446	23.2
161.03716	1.1
163.04097	1.2
173.04602	1.5
179.03514	31.9
185.02933	0.8
189.01721	11.1
191.05643	82.8
192.06007	3.8
201.01721	22.3
215.03249	1.1
293.12582	1.3
308.90881	0.8
351.07477	1.6
353.08798	4.4
354.09302	1.1
375.07040	100.0
376.07239	1.5
405.25507	0.8
567.13281	2.8
729.16138	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.4
59.11859	0.5
61.98851	4.0
69.45448	0.6
71.01395	3.1
85.02960	0.9
89.02441	0.9
90.53330	0.6
101.02458	1.2
121.02962	100.0
135.04549	2.5
209.04544	1.1
209.11919	2.8
211.13489	0.9
225.11342	0.7
545.29712	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	727.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32809	0.6
59.01388	8.1
61.98843	3.4
71.01381	4.4
79.57983	0.5
85.02966	0.9
88.78379	0.6
89.02477	0.9
93.03443	0.5
101.02457	2.5
106.06138	0.5
113.02478	2.9
116.92901	0.6
119.03517	0.7
121.02956	100.0
135.04529	35.9
137.20955	0.6
153.59473	0.6
291.74777	0.7
370.45651	0.6
401.12418	4.7
401.25555	0.6
519.37720	0.7
545.29779	22.3
667.33997	2.5
696.24408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69849	0.5
59.01387	22.5
64.87843	0.6
64.91558	0.6
71.01397	1.6
77.38260	0.8
85.03006	0.8
88.47714	0.7
89.02466	1.2
101.01874	0.7
101.02474	1.7
116.86780	0.7
116.92832	0.9
127.11327	1.3
140.32152	0.7
146.72018	0.9
171.10281	71.0
186.34174	0.8
235.08324	1.4
252.30956	0.9
253.09306	5.5
260.99295	0.8
267.98438	0.8
277.21741	100.0
278.22028	0.9
324.10876	0.8
339.94962	0.8
341.66986	0.8
470.75665	0.9
708.00305	0.9
727.43848	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83222	1.2
59.01389	7.6
61.98839	5.3
62.77247	0.8
71.01399	1.7
72.05820	0.9
84.99751	1.0
109.70434	1.0
121.02962	100.0
134.98256	1.1
135.04547	1.3
141.01740	1.4
197.29874	1.0
211.13354	1.2
235.32671	1.0
257.63840	1.3
322.79608	1.0
388.82092	1.3
429.61990	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99331	1.4
55.01907	2.4
59.01389	49.0
59.11352	1.3
61.98843	22.3
65.04084	1.6
65.73411	1.8
71.01397	9.0
73.02962	1.6
85.02982	6.9
89.02450	3.5
93.03467	1.9
101.02472	2.5
109.06604	4.2
111.08164	2.0
113.02483	3.6
117.03476	10.7
119.05103	1.6
121.02960	19.6
122.03347	2.2
132.02177	32.1
135.03038	2.3
135.04472	2.5
135.08231	1.8
145.02989	28.3
160.01675	100.0
161.04541	3.3
161.09746	2.0
163.11264	3.3
171.10342	13.0
173.04591	2.2
175.04018	96.1
181.12190	1.7
189.05711	2.0
189.63902	1.9
191.05678	3.9
197.11867	9.2
205.08713	4.0
207.10301	11.5
209.11917	31.8
210.12224	2.3
225.11319	7.6
227.12970	4.2
327.21909	23.2
341.14154	2.3
357.25046	1.6
359.99637	2.2
656.88513	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	727.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16644	11.3
59.01397	24.5
61.98850	100.0
64.06118	14.5
64.31812	12.7
83.29101	13.0
89.77065	13.7
112.98482	12.7
113.09452	11.7
116.92896	13.0
121.02942	17.3
133.03020	16.6
216.70187	14.4
278.07199	14.2
353.56525	15.1
400.82739	14.2
513.32227	20.1
581.58679	16.6
645.33893	18.0
738.85535	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	727.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87674	9.2
59.01403	12.3
61.98838	15.4
71.24200	8.6
107.52002	9.8
116.92860	16.9
157.43372	12.6
174.58443	11.9
208.52850	10.6
287.77243	12.0
303.79276	11.8
487.34448	52.2
645.33276	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	727.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87455	1.2
53.53493	1.1
55.01881	1.2
55.91746	1.1
57.03462	2.5
59.01387	16.5
60.40638	1.1
61.40948	1.1
61.98847	7.2
71.01389	13.7
72.99305	1.4
73.02924	3.8
76.58355	1.6
83.01411	1.6
83.05061	2.9
85.02961	5.1
87.47129	1.4
87.80894	1.2
88.98802	1.9
89.02469	6.4
93.03461	13.6
96.96030	3.2
99.00938	1.7
101.02473	8.6
108.02217	5.4
109.02977	2.4
109.12573	1.4
113.02493	6.8
116.92937	2.4
119.03431	1.7
119.05035	2.1
121.02956	20.8
123.04657	1.7
125.02513	2.3
134.03748	3.3
135.04523	5.4
137.02457	8.6
145.02972	3.3
152.01230	2.3
161.02451	1.5
161.04494	2.6
165.12880	1.6
168.00648	2.3
173.04564	3.0
189.11086	1.4
191.05659	6.9
193.05058	2.8
201.11375	24.3
209.11879	100.0
227.12901	17.5
235.08221	3.3
246.85455	1.5
253.09319	8.5
285.04031	2.2
393.22815	1.6
428.22104	1.4
445.20859	12.1
470.84171	1.5
629.31714	3.1
667.39117	11.7
727.33594	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	726.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
60.01717	0.1
61.98842	100.0
92.10126	0.5
115.07594	0.2
121.02946	1.9
122.03296	0.2
142.99902	0.2
147.80737	0.2
285.07938	0.2
503.33719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.8
57.03463	8.5
57.38755	0.9
59.01387	37.6
60.59704	0.8
65.80146	0.8
67.01902	3.7
68.99797	1.1
69.03455	11.2
71.01384	17.5
72.99325	1.6
73.02943	15.3
81.03475	4.4
83.01395	5.1
83.05045	1.5
85.02956	64.7
87.00877	100.0
89.02451	1.0
92.10192	1.0
93.03466	6.9
95.01389	22.0
97.02957	32.8
99.00877	1.8
99.04508	3.9
101.02458	4.0
102.74356	0.9
103.04019	8.9
108.02232	1.1
109.02932	8.5
111.00878	9.1
113.02450	21.4
115.00393	10.6
115.04002	1.3
121.02994	1.1
125.02438	1.4
127.03988	15.8
131.96240	1.0
135.04546	1.2
136.70923	1.0
137.02438	4.8
139.00385	14.0
139.03955	0.9
145.05087	3.8
151.50832	1.0
153.01880	1.1
155.03546	1.6
157.01425	8.2
169.05118	2.2
171.03011	1.4
173.04504	1.9
175.02478	30.7
179.03453	1.1
181.01486	1.7
191.05602	1.9
193.41676	1.0
199.02515	20.4
217.03592	16.0
219.46861	1.1
303.07312	12.2
321.08273	4.5
345.08426	5.0
387.09464	10.8
397.11703	0.9
405.10364	2.1
623.14673	7.2
685.18665	2.0
709.18427	13.2
727.19586	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	725.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29568	2.9
54.50499	3.3
59.01387	48.2
59.94309	2.8
60.99313	3.4
61.98841	7.6
62.72009	2.9
67.05636	3.4
71.01393	27.0
84.12727	3.4
85.02970	7.6
87.00901	3.8
88.98801	34.1
89.02464	29.8
101.02460	21.9
103.31425	3.8
113.02420	4.4
119.03497	4.9
121.02978	3.4
125.02452	6.8
134.89458	3.9
206.91725	4.9
212.00011	3.5
235.08298	11.6
267.23322	100.0
300.12714	4.0
397.13605	84.6
415.14706	23.2
574.12408	3.9
630.63141	4.1
643.32617	6.3
665.37543	4.6
683.47852	4.0
685.63672	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	725.45
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	100.0
61.98848	1.5
62.58321	1.2
64.29375	1.3
70.71545	1.1
70.80455	1.1
71.01408	4.5
71.71851	1.2
73.02974	2.6
74.86968	1.0
78.95916	27.5
82.95430	17.5
92.10899	3.1
96.96994	1.7
105.85538	1.1
109.06599	2.2
119.05032	2.5
121.03001	1.4
125.09750	1.7
127.11350	1.4
145.02974	5.7
152.99609	40.1
163.11307	2.2
166.56168	1.3
171.00655	2.6
171.10287	48.0
185.11829	1.1
199.09795	2.6
201.11307	2.7
207.10281	9.9
215.12990	2.0
225.11395	11.2
227.03246	2.2
253.21785	6.2
277.21753	33.0
291.23370	6.4
319.22983	1.6
357.59875	1.3
399.14273	7.3
453.15405	8.5
471.16202	9.7
481.15375	2.0
489.17667	1.6
514.15027	1.6
555.19012	6.3
635.35944	9.5
642.23438	2.9
647.39478	2.3
674.22510	1.6
689.36725	7.5
707.38007	29.7
725.39520	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	726.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69150	1.4
54.82803	1.9
57.97895	1.5
59.01385	100.0
60.01724	1.8
61.98842	1.4
65.03177	1.5
71.01410	2.2
73.65928	1.4
78.95889	17.3
82.95412	21.4
82.95818	1.7
92.10782	5.6
119.05019	1.9
126.23222	1.6
145.02989	3.0
146.83406	1.7
152.99594	23.7
166.82750	1.9
171.00609	2.1
171.10291	23.8
172.10564	3.4
180.62735	1.7
207.10281	3.1
225.11244	3.3
250.90570	1.9
263.20187	1.7
277.21765	31.2
278.22092	7.3
291.23431	3.6
322.13837	1.7
325.05676	1.8
399.14389	6.1
453.15219	2.7
467.13736	7.9
471.16769	2.6
481.15289	33.2
482.16000	4.0
495.17072	6.0
497.18369	2.2
514.14966	17.4
555.18994	38.4
572.15436	10.1
641.22760	13.7
642.23956	18.6
648.39099	2.9
674.22388	17.6
682.25281	13.7
708.38538	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	725.341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82708	0.5
59.01392	6.6
61.98846	1.1
71.01382	4.7
76.22717	0.6
82.95429	0.7
87.00883	0.9
89.02451	1.2
90.76060	0.6
91.43337	0.6
93.03458	1.1
101.02457	0.7
113.02486	1.1
116.92889	0.7
119.03503	0.6
121.02961	100.0
122.03339	0.7
135.04570	2.9
161.04588	0.7
173.04572	0.7
191.05473	1.0
197.11856	1.5
207.10353	1.2
209.11879	1.4
225.11340	1.2
232.87646	0.8
440.97876	0.7
503.33807	0.7
517.32086	1.0
519.46698	0.7
543.28040	3.1
665.30798	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	7.6
57.03457	4.4
58.00601	1.7
59.01388	86.7
61.98825	1.2
64.02019	0.8
67.01903	1.1
69.03474	1.3
71.01385	56.2
72.99312	3.7
73.02959	12.2
74.67058	0.8
75.00859	2.2
78.95905	1.4
83.01382	7.6
85.02961	22.0
87.00868	5.3
89.02449	37.2
92.10802	2.5
93.03460	9.5
93.52838	0.9
94.03841	1.1
95.01387	5.9
97.02969	1.7
99.00883	5.3
101.02451	44.2
108.02171	2.0
109.02981	1.6
111.00887	5.5
113.02460	23.3
116.92892	1.5
119.03520	15.4
119.05042	1.9
121.02977	7.2
122.03264	1.0
125.02431	2.1
125.09843	1.0
135.03033	2.3
135.04495	0.9
137.02509	1.7
145.02924	1.6
155.10744	1.1
155.40665	0.9
155.90314	1.1
159.03021	1.8
161.04555	5.0
163.04004	1.4
173.04604	15.6
174.04881	2.0
179.05595	4.3
191.05643	7.5
201.11378	10.3
211.07722	7.4
212.07980	5.3
213.08444	1.1
223.07658	6.0
224.08293	1.5
225.09212	7.3
263.14966	1.6
297.07910	1.3
325.11365	1.2
343.12396	1.3
482.38287	1.1
494.35751	0.9
503.33798	4.8
523.13416	1.1
545.29224	1.2
563.30780	25.4
616.40424	1.0
665.37518	1.3
674.25537	1.0
725.22687	3.2
725.36157	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	724.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	10.8
60.01735	1.2
61.01805	1.0
61.98834	100.0
78.95937	2.7
152.99612	2.6
171.10272	2.3
202.16203	0.6
239.63275	0.6
280.69638	0.6
303.53555	0.6
626.13751	0.7
706.36737	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10376	0.5
54.17896	0.5
56.12723	0.5
57.03446	0.6
59.01392	5.8
60.99315	21.8
61.98831	0.8
64.08556	0.5
67.10622	0.5
71.01382	4.8
72.99291	0.6
73.02967	0.8
75.00878	0.8
83.01408	0.6
85.02974	3.2
87.00896	0.7
88.98805	100.0
89.02448	2.1
92.10864	1.0
93.03470	3.7
101.02455	1.3
108.02246	0.6
109.02946	1.0
110.40154	0.5
111.00922	0.8
113.02442	1.2
119.05042	2.5
121.02941	2.2
123.04543	0.7
125.02417	0.5
135.00967	0.6
135.02991	0.7
137.02414	0.9
143.05061	0.7
145.02966	1.0
151.00333	0.5
153.05594	1.0
163.00336	2.2
163.04111	0.8
168.00690	0.7
171.10231	1.3
173.04582	7.9
185.06085	1.1
187.04053	2.5
189.05605	0.9
191.05669	3.0
197.06068	1.0
201.11301	2.2
210.06766	1.8
211.04257	1.0
211.07672	24.9
212.08025	18.8
213.05586	0.6
213.08376	8.3
214.08464	2.1
215.89287	0.6
227.03452	5.3
229.05080	11.9
239.03561	0.6
241.05115	0.6
255.03056	4.4
256.03885	0.7
257.04639	5.9
284.03308	3.8
285.04083	65.4
286.04333	1.0
389.25433	2.8
465.97470	0.6
503.16269	0.6
505.71100	0.6
563.30927	3.8
635.16357	38.6
725.35895	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	723.434
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
55.01890	0.6
55.89085	0.3
57.03463	0.5
59.01386	7.5
67.84354	0.3
71.01389	5.1
73.02956	0.8
78.95937	0.9
83.01434	0.5
83.05054	0.6
85.02964	1.8
89.02459	3.2
92.10781	1.3
95.01413	0.5
97.06602	0.8
101.02452	5.0
103.10842	0.4
111.08186	0.9
113.02461	2.6
119.03466	0.6
127.07639	0.5
152.99629	3.3
161.04573	2.2
163.11351	0.5
165.12857	8.3
183.13921	70.9
192.35559	0.4
209.11859	7.9
215.78941	0.4
227.12959	2.7
235.08253	1.6
253.09314	5.5
253.21893	0.5
266.21201	0.4
275.20157	0.4
277.21762	100.0
278.21997	0.8
287.36197	0.5
383.48270	0.4
445.21002	0.8
463.21994	1.7
487.19434	2.3
723.43329	73.5
724.43665	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	723.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.3
57.03464	0.4
59.01389	6.4
68.63052	0.3
71.01385	3.7
73.02965	0.6
74.83897	0.3
78.95908	3.4
80.02698	1.5
81.03494	1.4
83.01425	0.5
83.05025	4.8
84.02188	0.6
85.02984	0.7
87.00897	1.9
89.02463	2.0
92.10881	0.9
95.05093	0.5
101.02452	3.4
103.04087	0.4
113.02490	2.1
125.06096	0.5
145.05009	0.4
152.99622	6.6
161.04597	1.7
163.11342	4.0
165.12866	2.1
179.05679	0.4
181.12399	0.4
191.10817	1.6
199.13411	0.6
209.11874	85.2
221.32976	0.4
227.03262	0.7
227.12956	9.8
235.08293	5.1
253.09340	6.2
253.21754	1.6
257.11786	0.3
275.19916	0.4
277.21774	100.0
278.21954	1.6
458.08322	0.3
487.19647	6.7
691.38794	0.5
723.40979	6.4
730.29419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60360	0.3
55.01900	0.4
58.48365	0.2
58.55877	0.3
59.01381	3.7
61.27731	0.3
61.98818	0.3
64.35442	0.3
71.01377	2.4
73.02962	0.4
74.25320	0.3
78.95910	0.4
80.02692	1.2
81.03482	0.7
83.05022	4.6
84.02180	1.4
85.02969	0.6
89.02452	1.6
95.05051	0.5
101.02438	2.9
107.96453	0.3
113.02454	1.4
119.06645	0.3
125.06107	0.6
152.99609	1.6
161.04623	0.5
163.11308	5.0
165.12808	3.0
181.12402	0.5
191.10793	1.5
195.06468	0.3
199.13423	0.6
209.11864	100.0
210.12239	1.2
227.12924	9.8
235.08195	0.5
253.09300	5.9
277.21762	44.1
278.22113	0.7
445.20895	1.6
723.41974	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51669	0.3
55.01889	0.5
57.55145	0.3
59.01385	5.5
64.34599	0.4
65.11899	0.3
71.01388	4.4
73.02951	0.8
78.95905	4.6
83.01443	0.4
83.05067	1.2
85.02960	1.1
87.00909	0.5
89.02434	2.5
92.66114	0.3
97.06631	0.4
101.02431	3.5
113.02451	2.3
119.03508	0.5
152.99617	6.9
161.04556	1.3
163.11302	1.3
165.12869	5.7
171.00632	0.6
181.12344	0.3
183.13922	100.0
184.14232	0.4
209.11868	20.2
227.03506	0.4
227.12938	5.2
235.08281	1.6
237.55980	0.3
253.09293	3.3
253.21730	1.9
277.21762	28.7
419.23215	0.4
445.21005	1.3
455.17053	0.6
463.21918	3.7
487.19522	6.3
691.38721	0.7
723.43188	56.6
724.44385	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51225	0.3
54.49329	0.4
59.01395	0.4
63.89468	0.3
68.54445	0.4
78.95905	25.7
80.02696	1.9
81.03482	0.8
83.05025	5.7
84.02188	1.0
86.15829	0.4
95.05006	0.5
96.96945	2.8
109.06644	0.6
116.92856	4.1
118.39677	0.3
125.06090	0.5
135.08189	0.5
152.99603	38.8
163.11308	6.6
165.12851	3.6
166.13760	0.4
171.00659	4.9
181.12354	0.6
183.13936	4.7
191.10846	0.7
209.11868	100.0
227.03336	3.9
227.12932	8.0
241.35144	0.4
245.04462	0.7
253.21777	9.4
277.21893	2.7
278.22168	0.8
339.46292	0.4
354.68549	0.4
363.12289	1.4
395.14984	0.7
437.15820	2.3
455.16873	6.5
486.18246	0.4
487.19574	47.2
649.12720	0.4
691.38611	4.0
723.41168	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31236	0.4
58.00655	0.3
59.01388	100.0
61.98844	0.8
69.03456	2.0
69.48031	0.4
71.01385	13.5
73.02947	16.9
73.14559	0.4
79.48904	0.4
83.01395	4.7
85.02966	3.0
85.29567	0.4
87.00934	0.4
87.24207	0.4
97.02944	1.6
101.02449	16.7
103.89071	0.4
113.02457	5.1
121.02985	0.5
125.02438	2.2
131.03484	0.6
143.03539	3.4
155.03514	1.9
161.04568	2.1
203.05653	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	723.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83009	1.4
55.01896	3.2
57.03455	7.1
58.00604	2.5
59.01388	100.0
61.09045	1.5
61.98831	2.6
67.01880	2.1
69.03448	2.3
71.01388	65.2
72.99316	6.4
73.02954	12.0
75.00870	11.7
81.03437	3.0
83.01392	8.0
83.05048	1.6
85.02966	25.9
87.00894	8.3
89.02448	47.3
93.03458	85.9
95.01396	2.8
96.99310	7.5
99.00895	3.8
101.02449	39.2
109.02960	7.1
111.00879	3.5
111.04532	8.2
113.02448	25.9
115.00347	3.6
116.92838	1.7
117.03452	2.9
119.03553	16.5
119.05031	50.7
120.05387	2.2
121.02956	37.2
123.04482	3.1
125.02483	2.3
131.03526	1.7
131.05022	9.0
133.02986	7.6
134.21513	1.5
135.02985	19.1
135.04552	7.2
137.02455	29.8
143.03529	2.2
143.03769	2.4
143.05038	49.0
145.02959	15.2
147.04550	2.3
150.03284	2.2
153.01953	3.0
155.03546	15.6
161.04547	7.3
163.03998	27.0
171.04434	6.5
173.04564	68.3
177.01944	8.0
179.05695	3.7
191.05669	26.6
193.05168	2.9
201.11389	2.2
210.06911	6.7
211.07710	72.3
212.08057	3.3
221.06613	1.9
221.09573	2.3
222.06912	2.1
223.07660	12.8
235.07674	8.4
237.09265	23.0
239.10733	6.8
264.07950	1.9
265.08755	44.9
266.08826	2.2
283.09781	12.8
285.04126	2.5
288.71732	2.0
295.08185	8.8
309.07697	11.2
319.08093	2.5
327.08829	72.1
328.09119	2.0
445.11716	2.0
483.12961	41.5
484.13385	1.8
539.97333	1.7
543.28052	2.6
561.29578	16.5
601.15710	21.5
605.16748	15.3
626.12341	2.0
663.36115	6.0
723.19531	29.8
723.34473	82.9
724.20770	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	723.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51241	3.9
53.73000	4.1
57.03476	5.0
59.01391	33.0
61.98840	10.3
71.01389	6.9
73.02937	5.8
73.76444	5.1
83.05021	7.0
85.02944	4.6
87.05264	4.4
89.02454	7.4
101.02476	8.0
109.06619	25.3
116.92843	7.1
121.02969	100.0
135.04573	7.7
137.51421	6.0
139.41507	4.7
144.65451	5.3
163.11327	7.1
171.10294	20.2
179.10832	7.6
192.80330	5.4
197.11803	20.7
199.09747	29.8
201.11401	4.7
205.21098	5.7
207.10315	44.8
209.11876	41.4
225.11366	23.6
253.09286	6.4
257.36005	5.3
461.20148	5.5
607.27625	20.8
625.28827	11.5
643.30310	5.0
669.32001	7.2
687.32324	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	723.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71548	0.4
59.01385	5.4
60.99626	0.4
61.98839	0.9
62.13405	0.5
71.01399	3.9
72.34264	0.4
73.02998	0.6
82.95428	0.6
83.01387	0.5
85.02972	0.9
87.00897	0.7
88.98824	2.0
89.02435	0.6
93.03493	0.6
96.96020	0.8
101.02464	1.9
121.02962	100.0
135.04572	2.0
207.10301	1.9
209.11812	2.0
225.11311	0.9
255.29347	0.5
434.01019	0.5
501.25366	0.5
531.27728	0.5
541.26764	2.9
559.70300	0.5
687.32239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40084	0.2
57.03464	0.5
59.01385	4.0
60.99331	0.3
61.98836	1.3
67.01901	1.6
69.03477	0.5
71.01390	3.4
81.03457	0.3
83.05038	1.5
85.02954	0.3
89.02455	0.5
93.03461	14.9
97.02968	0.4
101.02461	0.5
109.02958	1.4
110.03779	0.4
111.00854	0.4
111.04531	3.6
113.02435	0.4
117.03459	0.5
121.02960	100.0
122.03306	1.2
123.03614	0.3
123.04517	0.5
127.03950	1.0
132.02170	0.5
133.01309	0.3
133.02968	6.7
135.04533	4.1
137.02461	4.2
141.18159	0.3
147.04581	0.4
155.03525	3.8
160.01671	1.5
161.02464	26.3
161.09808	0.4
173.04568	55.0
179.03537	3.1
207.10341	1.2
209.11873	1.7
236.09206	0.3
241.05034	1.7
277.07162	5.7
295.08282	10.2
299.74042	0.3
323.07813	6.1
335.07739	3.7
341.08807	0.3
399.10950	18.2
427.10425	7.3
439.10596	0.4
445.11612	0.3
541.26459	0.6
593.36676	0.3
601.15778	4.0
723.19324	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	723.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97778	0.0
51.54234	0.1
52.06797	0.1
55.11227	0.0
57.03463	0.1
59.01379	1.0
59.01646	0.1
59.09149	0.1
60.99321	0.1
67.01892	0.4
69.03468	0.1
71.01385	0.6
73.02962	0.2
75.65206	0.1
78.45492	0.1
81.03462	0.1
83.05049	0.3
85.02956	6.0
87.00868	1.6
87.01361	0.1
92.10742	0.1
92.91345	0.1
93.03458	3.3
94.45098	0.1
99.04540	0.2
102.49741	0.1
109.02956	0.4
111.04539	1.2
113.02445	0.1
117.03463	0.1
117.85493	0.1
119.05016	1.2
121.02951	0.3
125.02469	0.1
127.04021	1.9
129.01898	0.1
137.02426	0.2
145.02965	1.0
145.04935	0.1
155.03534	0.1
163.04056	1.2
163.73932	0.1
171.03017	0.4
173.04576	1.6
191.05644	100.0
192.06006	0.5
204.61224	0.1
337.09372	18.0
338.09723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84440	0.3
53.57139	0.3
55.01887	0.5
59.01394	3.9
60.69032	0.3
61.98833	2.6
69.03428	0.4
71.01376	3.7
72.99309	0.5
73.02966	0.4
78.95918	0.7
83.01386	4.4
83.05039	0.6
83.84657	0.3
85.02941	0.6
89.02448	1.3
93.03454	6.3
97.02979	0.7
101.02464	0.4
108.02190	0.4
109.02962	3.3
109.06563	0.5
110.03754	1.2
111.04536	0.6
113.02443	0.8
117.03434	0.4
119.05028	2.2
121.02957	100.0
122.03275	0.7
127.04006	1.3
133.02965	5.1
134.03748	1.4
135.04533	31.0
137.02457	5.4
138.74098	0.3
145.02954	1.8
152.99600	0.4
155.03545	3.4
161.02466	20.0
163.04019	0.8
163.11267	0.5
167.88002	0.4
171.08194	0.7
171.10333	0.7
173.04529	1.5
179.03505	26.8
191.05693	0.8
197.06148	1.9
207.10324	0.7
209.11830	2.8
210.12265	0.8
215.07121	2.9
225.11418	0.5
241.05122	4.4
259.06192	1.4
277.07184	18.0
317.06680	1.9
323.07516	0.5
341.08810	2.3
398.88065	0.4
399.10892	11.7
439.10370	21.1
440.10474	0.5
452.08331	0.4
462.75906	0.3
469.93668	0.4
479.12375	0.4
501.32507	1.4
541.26624	1.4
601.15839	6.7
723.19141	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	723.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.5
57.03454	0.8
59.01389	18.4
67.01904	0.9
69.03481	0.6
71.01385	12.6
71.01727	0.8
71.89595	0.5
72.02792	0.5
72.99323	1.0
73.02969	2.8
75.00892	2.6
79.33803	0.4
80.12253	0.4
81.03447	0.5
83.01412	2.5
83.05044	2.3
83.73018	0.5
85.02550	0.6
85.02970	6.0
87.00896	3.0
89.02448	11.0
93.03461	38.5
96.96021	7.5
96.99294	4.5
97.02981	0.7
99.00880	0.8
101.02444	7.4
108.02161	1.0
109.02969	2.2
111.04551	4.4
113.02462	4.6
115.00360	0.8
117.03488	3.1
119.03675	3.7
119.05031	30.8
121.02964	24.0
123.04536	2.1
127.96456	0.6
130.04253	1.2
131.03500	0.6
131.05025	6.0
133.01411	0.6
133.02957	6.0
134.03755	0.9
135.02997	4.6
135.04555	2.7
137.02451	11.0
139.07719	0.6
143.05045	23.8
145.02969	7.5
145.06612	1.1
147.04536	0.7
152.01157	0.7
155.03503	6.0
159.03171	0.6
159.04567	1.1
159.24245	0.6
161.02502	1.0
161.04608	0.7
163.04027	18.3
171.04535	1.3
173.04579	13.5
177.02017	0.6
179.03535	2.2
179.05678	2.8
191.05643	16.5
192.06047	0.6
209.06183	0.7
210.06821	0.9
211.07680	25.3
219.08124	0.6
221.09805	1.2
223.07671	7.9
235.07745	4.8
237.09267	12.4
239.10875	1.3
253.08798	0.7
265.08740	28.3
266.08838	0.6
277.07391	0.7
283.09811	4.9
285.03821	0.6
295.08191	1.2
309.07724	7.3
319.08273	3.4
327.08801	100.0
397.36566	0.6
445.11505	6.5
483.13037	9.6
601.15979	3.2
605.16919	7.9
663.36169	3.3
723.19537	11.0
723.34277	7.0
723.47485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.7
59.01390	7.6
67.01917	0.8
71.01385	11.1
73.02963	0.8
75.00876	5.4
83.05033	0.6
85.02962	3.5
87.00902	1.2
89.02448	5.2
92.10083	1.6
92.69052	0.6
93.03459	95.7
95.16393	0.7
96.96040	0.9
96.99313	8.4
97.62402	0.5
98.93511	0.7
101.02447	3.5
102.23505	0.6
108.02170	0.9
109.02962	1.2
111.00905	2.6
111.04514	7.2
113.02448	1.1
114.99670	0.5
115.00361	5.4
117.03490	4.9
119.03633	0.9
119.05030	33.6
121.02958	30.2
123.04531	3.2
127.04031	0.6
130.04239	3.3
131.05040	11.0
133.02972	10.4
135.03012	12.8
135.04521	1.3
137.02451	33.1
137.49619	1.0
143.05043	54.7
145.02969	12.2
145.06635	3.5
147.04529	1.5
155.02254	0.8
155.03513	20.7
159.04514	1.6
163.04028	22.3
165.11758	0.7
171.04543	6.1
173.04568	54.0
173.16722	0.8
191.05687	5.5
193.05005	0.7
210.06882	5.5
211.07683	100.0
212.08005	3.7
219.08212	3.0
221.09732	5.2
222.06870	0.9
223.07655	7.7
235.07715	10.1
237.09273	21.5
238.09695	0.6
239.10913	2.9
247.07729	1.1
250.06425	1.1
253.08789	1.4
263.07153	1.2
264.08026	1.4
265.08734	60.1
271.04645	2.6
283.09839	4.0
295.08371	6.6
309.07803	14.4
319.08322	6.2
327.08801	95.0
328.09137	1.5
445.11548	4.6
460.33060	0.7
483.13092	44.8
601.15759	20.7
605.16785	19.1
723.19489	37.1
723.34064	5.4
724.20062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.5
57.03469	0.9
58.00614	0.6
59.01391	12.1
65.03995	1.1
67.01907	2.7
69.03468	0.9
70.08344	0.5
71.01401	8.4
72.99285	0.5
73.02962	1.2
75.00864	5.0
78.32768	0.6
81.03454	0.8
83.05045	1.5
85.02970	5.0
87.00898	4.6
87.26151	0.6
89.02456	4.2
93.03467	71.7
96.96014	0.9
96.99314	0.8
97.02962	0.9
101.02448	3.6
109.02951	2.6
111.00900	2.4
111.04534	6.5
113.02465	1.6
117.01925	0.7
117.03479	4.3
119.05032	100.0
121.02957	40.0
123.04510	1.3
125.02404	0.7
131.05058	1.4
132.05844	1.5
133.02945	1.3
134.03648	0.8
135.03027	12.4
135.04546	3.8
137.02454	55.5
143.05037	11.9
145.02966	28.2
145.06598	4.3
145.08577	0.8
155.03514	16.3
161.02446	1.1
161.04466	0.9
163.04027	70.7
171.04439	0.8
173.04568	44.7
177.05534	0.8
191.05641	12.5
195.04666	2.2
195.08086	0.7
197.06064	0.8
207.09140	0.7
209.06097	1.5
210.06868	1.0
211.07703	15.9
221.09735	0.9
222.06895	2.8
223.07674	33.8
224.08360	0.9
235.07629	3.0
237.09250	33.7
238.09877	1.6
239.10809	9.7
250.35683	0.7
253.08714	3.6
265.08691	9.4
283.09799	40.1
285.04068	1.5
295.08130	3.1
309.07858	2.9
319.08313	25.9
327.08795	81.7
368.47665	0.7
439.13971	3.2
445.11487	4.0
483.13104	36.6
561.29608	1.0
601.15851	20.4
605.16833	19.2
663.35596	1.0
723.19342	35.3
723.33441	2.5
724.19684	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01392	4.8
61.98828	0.6
67.01905	1.9
69.03471	0.4
71.01385	5.2
73.02960	1.3
75.00873	4.0
81.03501	0.4
83.01401	0.4
85.02980	3.1
87.00901	1.4
88.98835	0.6
89.02464	1.6
93.03464	19.6
93.10765	0.3
93.60217	0.3
94.03819	0.6
99.00900	0.4
101.02464	2.3
109.02972	1.5
111.00925	0.3
111.04546	2.9
113.02476	1.5
115.00382	0.3
117.03479	0.7
119.05043	6.5
121.02969	16.0
123.04537	1.9
123.14608	0.4
129.01872	0.4
131.05075	0.7
133.02977	1.7
135.03018	5.8
135.04538	0.7
137.02451	3.8
143.05029	5.2
145.02968	3.3
145.06616	0.8
149.02496	0.5
152.76419	0.3
153.01950	0.8
155.03520	2.7
155.10780	0.6
159.02975	0.3
161.04567	1.5
163.04057	4.9
173.04575	31.5
175.00368	0.7
177.01883	0.8
190.02762	3.6
191.03119	0.7
191.05626	7.6
199.09717	0.3
201.11400	0.4
205.05083	3.8
206.05382	1.4
210.06926	7.9
211.07684	100.0
212.08026	38.1
223.07686	1.7
235.07732	0.6
237.09270	2.3
265.08704	6.3
266.09262	0.8
283.09802	0.8
295.08279	6.7
300.02884	0.5
309.07846	2.1
327.08752	6.7
373.14777	0.4
427.04388	0.4
483.12988	2.4
500.15860	1.4
501.15952	3.2
561.20190	0.5
585.40741	0.3
601.15875	1.6
605.18018	1.5
609.89838	0.4
663.36682	0.5
723.19830	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	723.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82951	0.2
54.85666	0.2
57.03461	1.2
59.01386	3.7
60.99317	0.4
61.98833	1.9
65.03985	0.4
67.01900	3.3
68.54240	0.2
69.03458	0.6
71.01376	5.0
72.99325	0.3
73.02972	0.4
81.03466	0.9
83.05035	1.3
83.36649	0.3
85.02968	1.4
87.00897	1.2
88.98833	0.4
89.02457	1.1
89.44611	0.2
93.03455	38.1
93.10897	0.3
94.03796	0.3
95.10291	0.2
96.95993	0.2
99.00867	0.3
99.04525	0.3
101.02444	0.9
108.02192	0.4
109.02978	1.2
111.00889	0.5
111.04525	6.9
113.02444	1.0
117.03465	1.2
119.05006	0.3
121.02953	40.4
127.04020	0.6
129.03519	0.2
132.02171	1.1
133.02960	11.5
134.03720	0.6
135.04532	22.0
137.02452	19.9
137.43298	0.3
142.17769	0.3
145.03029	0.4
155.03529	9.0
160.01694	1.4
161.02454	44.2
162.02809	1.7
163.04115	0.3
171.10272	0.3
173.04561	100.0
174.04884	0.6
179.03510	16.1
182.85112	0.2
191.05579	0.6
193.97102	0.3
209.11807	0.4
295.08267	26.9
296.08566	0.4
335.07794	28.7
336.08112	0.5
427.10361	11.6
445.11600	1.6
456.13293	1.1
457.12772	1.4
483.00073	0.3
501.30746	0.6
601.15631	4.0
625.98627	0.3
723.19568	6.5
723.35992	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	722.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06493	0.1
54.40149	0.1
59.01395	0.6
61.98857	0.1
66.73952	0.1
70.07509	0.1
71.01393	1.7
73.02967	0.6
75.00893	0.7
81.03816	0.1
83.01397	0.1
85.02941	0.8
85.37620	0.1
89.02448	0.2
92.10802	0.2
93.03452	1.9
99.77560	0.1
101.02428	0.9
103.94402	0.1
113.02480	0.8
117.03442	0.5
119.05029	0.3
121.02934	0.2
123.04526	0.2
131.03749	0.2
133.02931	0.2
135.03047	0.9
143.05037	1.0
145.02960	0.2
145.06551	0.2
147.04488	0.1
149.02448	0.2
157.42320	0.1
158.03659	0.2
159.04619	0.1
161.04584	1.3
164.04756	0.3
175.00403	0.7
183.08115	0.3
190.02730	2.7
191.05629	0.2
205.05107	2.8
209.06082	0.3
210.06903	8.0
211.07689	100.0
212.08017	1.3
223.05807	0.1
223.07758	0.5
235.07718	0.6
237.09338	1.0
265.08734	2.1
309.07806	0.6
319.28107	0.1
385.61069	0.2
434.91153	0.1
500.15729	2.5
560.19525	0.1
604.18713	1.3
722.21405	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82549	0.2
59.01397	0.4
71.01376	1.6
73.02958	0.3
75.00892	0.4
80.48283	0.2
82.79414	0.2
83.01392	0.2
85.02957	0.4
93.03473	1.6
101.02481	0.3
107.14262	0.2
113.02448	0.2
119.05028	0.2
121.02973	0.8
124.72923	0.2
135.03018	1.0
143.05089	0.5
151.77582	0.2
159.04529	0.2
161.04570	1.0
171.04555	0.3
173.04504	0.3
210.06914	8.0
211.07690	100.0
212.07985	1.2
223.07738	0.2
237.09201	0.7
265.08713	1.4
309.07690	0.8
604.18567	1.4
719.49390	0.2
722.21191	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84256	0.2
56.28764	0.2
56.89165	0.2
57.03453	0.3
59.01385	2.0
60.99338	1.3
67.01909	4.2
69.03474	0.6
71.01396	2.2
73.02964	0.4
81.03472	1.3
81.22433	0.2
83.05046	1.1
83.69151	0.2
85.02963	8.9
85.03455	0.3
87.00886	6.6
93.03462	30.7
95.05051	0.6
97.92478	0.2
99.00900	0.4
100.23943	0.2
105.03479	2.6
107.05059	1.6
109.02975	2.1
111.04539	5.2
115.03990	0.3
121.02977	0.4
123.04523	0.5
127.04018	2.2
129.01956	1.0
133.02963	30.4
135.03015	0.4
135.04526	3.0
137.02470	0.4
150.03284	0.3
151.04044	1.5
155.03531	1.9
161.02469	1.4
173.04568	17.3
177.01938	4.3
179.03503	1.4
181.74420	0.3
191.05641	100.0
192.06026	1.1
195.03024	5.2
215.05693	4.1
216.55939	0.3
242.23947	0.2
266.18655	0.3
291.73157	0.3
293.12476	0.3
307.08389	0.4
351.07245	12.1
353.08826	8.0
356.77005	0.2
369.08337	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	721.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	60.9
62.40266	2.7
71.01379	5.7
77.07830	2.8
77.48131	3.2
80.14091	2.8
95.05009	3.3
105.42494	3.0
109.06647	3.5
150.61510	3.2
163.11259	13.2
189.09177	3.3
197.14944	3.2
202.05516	3.1
207.10304	38.0
225.11365	100.0
253.09189	3.7
277.21759	43.5
334.74918	4.1
389.81281	3.2
390.64716	2.9
392.66718	2.8
405.31604	2.9
408.00302	4.4
461.20425	16.3
473.80850	3.4
721.41443	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	721.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85564	0.7
59.01387	100.0
61.98840	0.7
68.00646	0.7
78.95903	0.9
104.14524	0.7
207.10217	1.5
277.21823	1.5
284.08099	0.9
393.06912	0.9
673.96924	0.9
710.27277	0.9
721.42645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4542
Annotation	Klymollin F
Peak:m/z	Relative Intensity
59.01387	100.0
73.02957	0.7
76.10360	0.7
78.95879	0.8
79.42510	0.9
81.81429	0.8
83.98455	0.8
88.36359	0.7
96.08521	0.8
96.11539	0.8
97.36598	0.9
101.02438	0.9
116.92883	1.6
152.99634	1.2
171.09320	0.8
181.12154	1.0
184.49019	0.9
200.82962	0.8
207.10292	1.5
225.11336	3.3
225.36095	0.8
255.23431	1.2
277.21741	3.2
661.43738	4.1
721.44617	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88097	11.3
56.03639	12.3
59.01395	21.4
59.16182	13.4
64.42873	15.6
78.95923	39.4
90.18568	17.1
97.24300	15.9
152.99609	94.5
181.12404	20.1
207.10287	30.2
225.11342	100.0
297.50647	21.3
485.17749	94.4
721.39398	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	721.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	60.9
62.40266	2.7
71.01379	5.7
77.07830	2.8
77.48131	3.2
80.14091	2.8
95.05009	3.3
105.42494	3.0
109.06647	3.5
150.61510	3.2
163.11259	13.2
189.09177	3.3
197.14944	3.2
202.05516	3.1
207.10304	38.0
225.11365	100.0
253.09189	3.7
277.21759	43.5
334.74918	4.1
389.81281	3.2
390.64716	2.9
392.66718	2.8
405.31604	2.9
408.00302	4.4
461.20425	16.3
473.80850	3.4
721.41443	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	721.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50788	0.5
50.91190	0.5
55.01905	1.2
57.03472	1.3
58.00605	0.8
59.01387	56.2
61.98857	0.8
69.03481	2.9
71.01385	35.7
72.99316	1.4
73.02953	8.3
75.00874	0.8
78.95930	0.7
81.03476	0.9
83.01396	6.1
83.05003	0.6
84.95170	0.8
85.02952	9.5
87.00884	6.4
89.02448	35.6
95.01403	3.2
97.02942	6.6
99.00901	2.8
101.02444	33.7
111.04526	1.3
113.02466	14.3
115.04067	0.9
119.03503	8.3
121.02950	0.9
125.02450	10.3
131.03511	0.7
139.04103	0.8
143.03528	3.9
149.04552	0.7
161.04597	4.9
178.98788	0.8
179.05612	4.7
209.11639	0.7
217.07111	0.8
221.06764	2.6
235.08298	11.8
253.09361	3.5
263.20206	91.8
287.07797	1.0
305.08850	3.4
323.09796	1.0
397.13583	100.0
410.23709	0.7
415.14676	34.0
415.20316	1.2
421.99377	0.7
661.35388	4.5
697.88885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
59.01385	15.8
61.98843	4.5
71.01384	64.3
71.05024	1.2
73.02966	2.3
76.00439	0.9
80.02685	1.2
81.03464	1.8
83.05038	9.5
84.02174	1.6
85.02972	2.4
87.00883	1.8
89.02459	6.8
92.10885	2.2
93.03470	4.3
95.05006	1.6
97.02949	4.9
101.02446	5.6
109.02947	1.1
109.06606	13.5
113.02465	4.2
119.03517	1.7
121.02969	16.8
125.09759	1.5
135.08167	3.9
161.04524	1.8
161.09755	1.6
163.11302	15.2
165.12845	1.6
171.10274	19.3
173.04562	4.6
181.12343	6.5
185.11833	1.6
197.11812	2.5
199.09792	1.3
199.13420	1.3
201.11314	7.7
207.10306	34.2
209.11864	100.0
225.11366	29.3
227.12918	9.6
253.09404	8.0
313.66660	1.1
337.24142	1.5
389.23468	1.1
399.21878	1.7
417.22818	1.7
461.20151	5.6
635.30670	1.6
671.33069	4.5
672.34125	2.1
721.36151	1.7
726.65833	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	61.0
61.98845	5.7
71.01395	37.8
73.02956	5.7
73.07236	2.8
82.18334	3.1
85.02978	15.5
87.00890	4.4
89.02450	34.0
95.01399	4.3
97.02941	6.2
101.02458	32.0
106.42556	2.9
112.59295	2.7
113.02435	5.8
116.92919	3.0
119.03522	3.7
120.78948	2.8
125.02454	6.6
131.08751	2.6
138.15459	3.0
143.03491	5.2
157.25471	2.6
159.40421	3.0
160.22676	2.7
161.04520	4.6
179.05641	10.4
181.94537	3.1
181.96150	3.0
209.11909	6.2
235.08308	13.5
243.07817	2.9
255.49161	2.9
277.21771	100.0
328.04547	3.0
397.13559	94.7
415.14493	33.7
576.03711	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	721.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82500	0.2
54.82565	0.3
55.74902	0.2
57.03468	0.2
59.01387	2.5
59.76227	0.2
61.32845	0.2
67.01908	1.1
69.03457	0.3
71.01391	1.7
73.02956	0.3
81.03481	0.3
83.05054	0.4
84.89740	0.2
85.02959	7.4
85.03466	0.4
87.00881	1.9
89.02453	0.4
93.03461	10.0
94.03751	0.3
96.95975	0.4
99.04496	0.4
102.58200	0.2
107.01437	0.3
109.02969	0.6
111.00886	0.4
111.04514	2.3
117.03475	0.3
119.05037	0.6
121.02962	11.2
127.04034	2.3
133.02972	2.4
134.03777	2.9
135.03484	0.5
135.04526	15.6
137.02461	1.4
145.02988	0.3
155.03528	1.2
161.02455	2.6
163.04065	1.1
173.04567	19.9
174.04959	0.6
179.03516	11.7
191.05640	100.0
192.06004	1.3
192.99867	0.3
193.04997	1.8
269.06720	1.3
297.05237	0.3
353.08841	19.2
367.10406	1.0
691.30981	0.3
721.19781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30698	1.5
52.09972	1.5
54.82394	1.5
59.01387	100.0
64.34147	1.6
78.95934	1.7
114.90201	1.7
116.92897	1.9
154.68890	1.6
164.52525	1.7
177.80423	1.6
209.11819	7.3
254.04709	1.9
323.34384	2.1
387.22110	1.7
388.11880	1.7
417.29816	1.9
646.83435	2.0
692.38184	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01404	14.4
61.98848	25.8
71.01398	13.9
71.73544	3.4
75.76419	3.0
94.57656	3.0
98.28055	2.9
116.20554	3.2
121.03071	4.3
123.82909	3.2
163.11292	4.2
173.04623	4.2
191.05598	3.3
207.10266	11.9
209.11874	100.0
211.13422	58.9
221.21939	3.8
225.11337	8.0
226.11758	3.8
227.12883	25.4
258.21222	3.1
260.70441	3.1
342.02924	4.5
421.09879	4.0
445.21234	4.2
639.34296	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51848	0.2
54.82917	0.3
56.24228	0.2
59.01366	0.9
71.01365	2.4
73.02950	0.5
79.62953	0.2
81.03444	0.5
85.02941	2.2
89.02447	0.4
92.10024	0.5
93.03471	0.4
95.01402	0.7
95.20419	0.2
98.52914	0.3
99.00928	0.4
101.02451	1.5
103.05665	0.3
108.02180	81.5
109.02962	27.1
113.02443	0.4
121.02953	0.7
123.00872	1.2
123.04548	0.4
133.02939	1.3
135.04546	0.5
151.04028	1.4
152.01166	69.7
153.01953	24.4
163.04044	2.3
165.01953	1.2
177.01854	0.4
191.05626	1.3
315.07275	100.0
316.07635	1.8
685.65051	0.3
712.97296	0.3
719.82471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53532	0.5
55.01882	0.5
55.55693	0.4
59.01389	7.7
61.98844	2.7
69.03465	5.4
71.01379	4.7
71.05033	3.0
73.02968	1.0
75.38784	0.5
80.02693	1.2
81.03452	2.0
83.01415	0.5
83.05021	5.4
84.02178	1.3
85.02973	1.2
87.00878	0.9
89.02467	3.9
92.10844	0.8
93.03467	0.6
95.05078	0.8
97.02940	0.7
97.06599	0.9
97.34582	0.5
101.02460	5.5
113.02474	3.0
121.02971	0.8
123.08212	1.3
125.09711	4.2
135.08148	0.8
151.11220	3.9
153.12845	2.3
161.04535	2.1
161.09724	4.6
163.11278	5.6
165.12848	3.3
171.48480	0.6
179.10799	7.9
191.10797	1.0
197.11859	100.0
209.11864	62.9
210.12135	0.6
227.12914	3.5
241.10864	6.6
253.09361	3.8
277.72046	0.6
330.56091	0.6
385.37662	0.6
477.19867	1.0
687.32452	73.1
688.32806	2.3
719.35077	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	719.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77754	5.1
59.01398	10.9
62.81080	5.6
67.12926	6.0
69.03461	29.6
78.95908	72.7
84.13015	7.5
92.10831	30.2
104.06099	7.2
123.08185	8.6
125.09795	10.0
131.07339	7.1
151.11214	7.8
152.99608	100.0
179.10776	88.6
185.91713	8.2
192.87721	7.0
223.09772	36.6
253.21817	26.1
255.12418	44.7
255.23193	12.2
303.20914	8.3
483.16541	98.5
572.89185	7.1
719.38025	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	7.2
57.03461	5.3
57.51921	1.0
59.01390	32.8
71.01393	55.7
71.01784	2.0
72.99343	1.0
73.02959	24.3
75.00902	1.1
83.01401	11.5
85.02966	39.5
87.00893	1.4
90.23888	1.0
95.01398	6.9
96.96016	7.9
97.02969	1.2
99.00901	9.8
101.02451	53.1
101.03101	2.4
101.54736	1.0
111.00882	1.6
113.02458	23.3
159.03001	5.7
161.04590	20.3
191.05624	18.2
203.54681	1.2
246.27657	1.2
269.10327	14.7
313.09360	100.0
314.09927	1.6
612.28876	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85065	1.4
59.01394	20.8
61.98840	90.7
63.00521	1.5
69.03459	2.8
70.89673	1.5
71.01401	14.1
73.02960	2.4
75.00867	2.1
80.02642	1.9
81.03470	1.5
83.01408	2.4
83.05056	9.5
85.02994	7.4
87.00894	3.4
88.98801	2.3
89.02482	9.2
92.10728	4.6
93.03464	3.8
99.00906	1.6
100.46622	1.6
101.02433	13.6
107.13518	1.4
113.02483	7.0
116.92856	2.3
117.03471	1.7
119.05038	5.9
121.02936	11.7
125.02445	2.0
125.09777	1.7
135.04538	2.7
137.02513	2.1
138.94510	2.1
143.03510	1.6
144.61845	1.5
145.02960	7.3
146.03259	2.3
151.11336	2.0
163.11304	6.9
165.12836	2.1
169.12363	41.0
173.04602	6.8
181.52449	1.7
191.05696	3.0
191.10722	2.0
197.11836	66.5
209.11868	100.0
227.12935	7.0
253.09406	7.9
312.65179	1.8
497.27856	11.2
687.32379	48.4
719.35144	56.7
737.29303	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	718.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22456	0.4
61.98836	100.0
70.64647	0.4
73.75867	0.4
91.24903	0.4
95.36450	0.4
103.67081	0.4
116.27682	0.4
123.95603	0.4
162.95551	0.4
173.55222	0.5
209.11935	3.2
210.12209	2.3
292.65668	0.5
384.09024	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84791	0.6
53.22820	0.6
54.38551	0.5
56.22943	0.6
61.98837	100.0
65.88343	0.7
121.48318	0.7
152.99409	0.7
209.11868	3.3
225.43645	0.7
234.84419	0.7
272.40085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25767	2.7
50.83519	2.5
54.69186	3.0
55.85770	2.6
59.01389	49.2
59.01609	2.7
61.67907	3.1
61.98849	33.2
71.01390	27.4
73.02965	4.3
85.02953	6.4
87.00890	5.5
89.02464	26.4
97.02925	5.7
101.02470	22.4
113.02455	14.7
119.03544	3.5
119.30492	3.1
124.92304	3.1
125.02403	5.7
235.08278	7.5
277.21756	89.2
305.08911	4.4
313.55795	4.1
397.13593	100.0
415.14917	29.2
455.81223	3.9
464.97510	3.7
515.41620	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	718.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51470	0.1
59.01378	1.2
61.98837	100.0
65.44782	0.1
71.01407	0.2
79.60419	0.1
117.03481	2.9
119.05003	0.2
121.02923	0.2
145.02977	9.8
146.03339	0.2
161.97411	0.1
163.03922	0.2
173.04494	0.1
179.77953	0.1
191.05606	0.2
285.04150	0.1
359.75812	0.1
498.64761	0.1
513.73157	0.1
655.19098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52404	0.1
59.01386	0.9
61.98837	100.0
67.52097	0.1
69.72713	0.1
71.01398	0.2
73.02985	0.1
85.02975	0.2
87.00858	0.1
88.17605	0.1
93.03458	0.2
94.13329	0.1
101.02453	0.1
109.52116	0.1
112.92110	0.1
115.57169	0.1
117.03490	2.3
119.05016	0.2
121.02936	0.4
135.04482	0.1
137.02460	0.1
145.02977	7.4
146.03293	0.2
146.68727	0.1
171.42271	0.1
173.04588	0.4
178.18660	0.1
191.05611	0.5
201.11383	0.1
385.59958	0.1
386.24878	0.1
394.53268	0.1
404.46030	0.1
429.89963	0.1
431.67621	0.1
474.46594	0.1
519.31946	0.2
520.32452	0.2
623.65497	0.1
632.18555	0.1
655.18793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18848	0.5
59.01392	3.8
60.99312	0.6
61.98835	100.0
67.12862	0.5
71.01397	2.8
72.99313	2.2
75.00867	1.0
85.02956	2.1
89.02502	0.7
93.03477	1.2
117.03449	4.4
121.02951	4.1
137.02393	1.0
145.02974	15.5
155.10736	0.9
161.04523	1.1
173.04570	1.0
183.13895	4.1
184.14108	0.8
191.05661	2.2
201.11398	1.0
209.11885	0.9
211.07538	1.0
224.08139	0.7
299.68088	0.7
301.16415	0.6
663.11145	0.7
718.38159	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13211	0.1
52.09473	0.1
54.79832	0.1
54.93680	0.1
59.01385	0.9
61.98837	100.0
71.01373	0.2
75.00896	0.1
89.02473	0.1
99.00913	0.2
101.02428	0.1
109.02932	0.2
117.03478	1.8
121.02991	0.2
135.04466	0.1
145.02972	5.6
146.03323	0.2
151.70444	0.1
161.04497	0.1
163.04022	0.1
171.10289	0.2
173.04565	0.2
173.80083	0.1
201.11295	0.2
209.11870	0.2
212.01251	0.1
281.20825	0.1
421.25024	0.2
449.00562	0.1
655.19019	0.6
717.36786	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16470	0.2
55.01899	0.4
57.03448	0.3
58.00600	0.4
59.01386	100.0
60.01711	0.3
61.34205	0.3
62.15537	0.3
67.96954	0.3
69.03461	0.7
71.01381	26.4
72.99316	0.5
73.02945	31.1
75.00872	1.6
76.58783	0.4
81.03452	0.5
83.01389	7.5
85.02955	5.1
87.00876	0.5
87.54383	0.3
89.02440	15.2
93.03439	0.5
95.01380	1.3
99.00886	0.7
101.02443	24.8
113.02459	9.2
119.03487	5.2
121.02956	3.1
125.02453	0.7
129.02040	0.3
131.03505	2.6
135.04526	0.3
143.03487	2.7
149.04541	4.4
155.03488	0.7
160.14029	0.3
161.04576	8.1
179.05531	0.7
191.05655	2.1
203.05641	1.2
203.12761	1.0
221.06689	3.1
245.14008	0.4
303.14606	1.5
312.88269	0.4
450.46234	0.3
537.32123	0.5
717.38202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11797	0.5
57.56327	0.5
59.01395	6.6
59.89089	0.5
61.98842	0.9
63.83571	0.5
71.01395	4.8
73.02933	1.1
82.31278	0.5
83.05050	3.2
84.02190	0.7
86.50107	0.6
87.00894	1.2
89.02470	4.0
101.02463	3.6
109.74403	0.6
112.14255	0.6
113.02497	1.4
121.02969	1.4
131.94435	0.6
137.13254	0.6
161.04578	0.6
163.11336	3.3
165.12898	0.8
183.13890	9.4
193.12335	2.7
209.11887	57.4
211.13443	100.0
212.13634	0.8
223.09706	0.8
227.12924	6.1
235.08246	3.4
253.09393	5.7
345.57056	0.6
447.22351	7.9
621.33527	0.7
639.33459	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49352	0.8
52.69553	1.0
52.98019	0.8
55.01893	0.9
56.35701	0.9
57.03474	1.1
59.01389	14.9
61.98838	29.8
69.03466	8.0
71.01391	12.5
71.04999	1.7
79.64089	1.0
83.05054	1.4
85.02966	4.7
89.02457	4.7
92.10114	2.8
93.03465	15.4
94.03808	2.4
95.01395	1.3
96.96015	1.4
97.02953	5.5
97.06597	1.6
99.00893	7.0
101.02457	9.9
113.02435	5.7
117.03456	8.6
119.03485	1.4
119.05038	1.5
121.02969	57.3
121.03854	1.8
122.03285	17.8
123.03481	1.7
123.04525	1.1
123.08132	1.7
125.02437	2.1
125.09744	17.0
135.04553	20.7
135.08202	1.8
136.04861	6.6
137.02423	7.3
138.02776	2.2
141.19585	1.2
145.02977	14.8
151.07639	2.3
151.11290	2.6
156.26669	1.1
161.04593	1.8
161.09740	4.7
163.04018	2.4
163.11308	8.0
173.04529	4.5
179.10791	9.0
181.12357	13.6
191.05595	1.3
197.06102	1.4
197.11868	86.9
207.08565	1.9
207.10329	33.2
209.11815	2.4
211.13422	7.1
212.13618	1.5
219.87265	1.3
225.11392	50.5
227.07082	4.4
228.07565	2.2
241.10915	1.5
243.12372	2.3
253.09288	1.9
257.14041	4.5
427.12027	1.1
431.76431	1.1
555.62933	1.1
613.39886	1.3
717.33478	100.0
718.33398	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.7
58.72142	0.2
59.01384	1.6
60.99321	1.3
66.67806	0.2
67.01896	4.0
69.03473	1.0
69.98653	0.2
71.01385	2.0
78.87086	0.2
81.03453	0.7
83.05035	1.0
85.02955	5.3
85.03451	0.3
87.00880	7.7
93.03459	25.7
99.00867	0.7
99.04503	0.4
109.02941	0.7
111.04532	4.5
113.02448	0.3
117.03460	0.2
119.05029	9.4
121.02954	2.7
127.04025	2.3
129.01976	0.8
133.02936	0.3
136.58636	0.2
137.02454	0.3
143.03493	0.3
145.02971	2.0
151.04018	0.3
155.03520	1.0
157.52896	0.2
163.04030	8.6
171.03043	0.2
173.04573	9.0
177.04041	0.2
191.05643	100.0
192.06039	0.7
258.18341	0.2
259.60608	0.2
269.06851	0.2
287.06540	0.2
299.07727	0.3
337.09369	27.8
338.09860	0.3
391.19458	0.2
428.44916	0.2
521.67474	0.2
569.02338	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.0
71.01383	2.0
75.00897	0.6
85.02959	0.5
87.87246	0.3
89.02456	0.6
92.10881	0.4
93.03458	1.4
99.00897	3.1
101.02456	1.3
121.02966	100.0
122.03307	0.6
129.01935	0.3
137.02455	2.0
147.03012	6.9
173.04619	0.4
177.04129	0.3
191.05525	0.3
191.25208	0.2
236.25336	0.3
263.89337	0.3
269.06702	19.3
299.07825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
71.01389	1.6
75.00882	0.5
85.02967	0.3
89.02470	0.5
92.10195	0.3
93.03490	1.0
99.00862	3.2
99.14110	0.2
101.02439	0.5
101.59591	0.3
119.03500	0.3
121.02961	100.0
122.03302	0.5
130.74367	0.2
137.02458	2.9
147.03015	7.0
177.04031	0.5
191.05659	0.4
209.87688	0.2
269.06708	21.7
299.07831	0.4
305.93115	0.2
331.86566	0.2
471.01450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.84431	1.0
61.98843	1.2
75.78835	1.1
78.95926	2.4
99.63179	1.4
102.99304	1.1
121.02994	4.0
139.45978	1.0
145.02974	4.7
209.11891	7.7
277.21771	14.5
278.22089	2.8
321.19919	1.2
438.09888	1.5
452.10776	1.6
453.11969	2.3
457.18893	2.1
459.16544	3.6
467.13467	1.6
481.11859	5.6
495.13071	2.0
496.13864	21.3
497.14557	9.5
502.36044	1.2
510.15558	5.3
511.16348	12.2
512.17285	2.6
513.17969	6.1
528.12842	2.3
530.14374	1.9
539.20367	1.9
544.16132	6.7
567.19000	10.8
571.18683	8.8
571.85541	1.5
597.19769	4.3
598.20801	4.8
599.21637	33.6
602.17676	1.5
630.19775	1.7
633.37872	1.3
657.22107	18.0
657.37848	2.2
716.41730	2.0
717.24365	80.5
717.41296	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	715.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50169	2.6
55.36929	2.1
59.01398	6.3
66.90301	2.8
71.01405	12.8
71.54119	2.3
72.99350	2.3
75.00892	13.4
83.03972	2.4
85.02976	12.3
87.00913	4.1
90.46454	2.5
92.10777	4.3
99.00906	3.9
113.02468	3.9
116.92900	2.7
149.84581	2.5
165.12810	4.8
178.30383	2.9
183.13910	55.7
209.11800	2.5
223.13329	3.1
255.23300	93.7
358.10239	3.5
437.77328	2.8
522.10327	2.7
715.42981	100.0
716.43738	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	715.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74007	1.9
59.01399	16.1
61.98856	2.5
63.08829	2.5
70.73049	2.2
71.01398	6.2
75.00882	10.8
77.26524	2.1
77.96166	2.1
78.95901	3.3
85.02982	13.5
95.01410	3.6
97.78623	2.5
99.00932	3.9
113.02487	15.5
114.38635	3.1
152.99637	5.8
209.11876	18.5
255.23354	100.0
300.19482	3.1
318.02588	2.8
715.42786	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.3
61.98837	100.0
64.43336	0.2
65.09056	0.2
66.96130	0.2
71.01389	0.6
84.39883	0.3
89.02448	0.5
90.23638	0.2
132.57553	0.3
152.99547	0.2
224.50972	0.2
255.23326	0.9
256.23608	1.1
277.21786	0.4
319.70096	0.2
397.13394	0.3
398.13879	0.4
479.00302	0.3
716.41901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.2
57.03452	6.0
58.00612	1.0
58.90542	0.5
59.01390	30.1
69.03457	1.2
71.01389	21.3
72.99305	5.4
73.02956	4.8
75.00877	40.9
75.01307	1.4
83.01411	3.8
85.02956	16.8
85.98696	0.6
87.00879	9.6
89.02432	10.1
91.18282	0.7
93.03479	3.8
95.01405	2.6
96.96001	0.6
97.02957	2.8
99.00887	6.6
101.02450	8.7
108.02208	2.4
109.02972	3.5
111.00919	1.0
111.04488	0.6
113.02442	6.8
115.04025	1.0
117.03535	1.0
119.03473	1.3
119.05027	5.1
121.02959	19.6
125.02454	1.2
125.09754	0.8
127.72379	0.6
129.01953	9.4
135.04536	2.5
137.02478	1.1
141.01888	0.8
145.02950	2.8
149.02454	0.6
152.01166	2.3
153.01982	1.0
155.10825	1.4
159.03001	2.5
163.04007	5.8
165.12836	0.9
169.12340	3.7
171.10283	3.2
173.04568	0.9
177.04060	33.8
181.07072	0.6
183.13893	1.5
185.11810	0.8
191.05678	6.6
193.05069	0.7
195.05161	0.8
227.12952	1.3
251.33817	0.7
327.10947	2.8
357.26428	5.4
375.27609	18.6
475.83981	0.8
519.31879	5.5
537.32965	39.3
538.25208	0.6
538.33679	1.0
553.24237	1.1
679.35443	4.3
715.37762	100.0
716.38385	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98047	0.6
55.01900	1.3
57.03461	6.5
57.88194	0.7
58.00597	0.7
59.01392	24.1
69.03470	1.4
69.70883	0.7
71.01385	19.7
72.99316	3.8
73.02974	2.8
75.00876	50.6
83.01394	1.3
84.42081	0.6
85.02962	13.4
87.00875	9.6
89.02442	7.2
92.10167	1.6
95.01415	0.7
97.02953	3.5
99.00878	7.2
101.02448	6.0
101.37605	0.8
103.00410	1.0
108.90215	0.7
110.07995	0.7
113.02487	3.2
119.05012	1.3
121.02969	0.8
129.01932	9.4
149.62480	0.8
159.03030	1.5
177.04068	37.9
258.93762	0.7
329.23315	1.4
357.26553	8.4
375.27603	17.9
389.29202	0.9
519.31683	10.0
537.32941	41.1
679.35638	5.9
715.37750	100.0
716.37878	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	715.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89055	0.3
53.53975	0.3
57.03473	0.3
59.01390	3.0
61.98843	1.4
71.01378	1.5
80.02712	0.4
83.05043	3.0
85.02983	0.4
89.02466	1.4
92.65720	0.4
101.02459	2.2
113.02468	0.5
125.06126	0.3
129.76714	0.3
161.04596	0.6
163.11273	3.0
165.12862	1.7
191.10826	0.6
207.10281	0.5
209.11879	100.0
211.13519	0.6
227.12944	5.5
235.08183	0.8
253.09373	2.9
332.12988	0.4
445.20950	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	715.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91711	0.9
55.85376	1.0
58.32623	0.9
59.01381	9.2
59.69425	1.1
61.98842	2.9
69.03444	1.6
71.01382	2.7
83.05035	2.6
85.02956	1.4
88.98794	2.0
89.02441	1.6
93.03482	1.9
101.02433	2.8
111.80084	1.0
115.12491	1.5
120.61349	1.1
121.02943	2.3
129.31534	1.2
136.11919	1.2
150.62267	1.3
163.11273	2.2
165.12834	4.8
173.04604	1.6
179.07243	1.3
181.12350	1.8
191.10777	6.6
209.11862	100.0
211.13226	1.5
225.11305	2.1
227.12943	7.3
235.08389	1.7
253.09311	2.9
319.99899	1.1
331.77988	1.1
445.20831	5.5
624.22443	1.4
637.32568	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64196	1.3
59.01378	3.5
61.98841	5.7
77.40054	1.3
83.05032	1.7
84.00741	1.5
86.40160	1.5
93.27834	1.4
112.60857	1.6
164.30113	1.4
209.11865	100.0
227.12888	2.9
253.09285	2.0
445.20914	2.1
537.56390	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17170	0.8
57.03465	1.6
58.00605	0.8
59.01387	12.2
61.98839	5.2
69.02312	0.8
69.03466	12.8
71.01379	7.7
71.05029	3.8
71.53039	0.8
73.02972	1.2
81.03486	0.9
83.01420	1.2
83.05036	5.0
85.02966	1.5
89.02454	4.9
93.03452	1.1
97.02972	2.1
97.06625	1.1
101.02436	4.8
109.06654	1.0
113.02442	1.8
119.03512	1.4
121.02957	3.9
123.08170	7.8
123.76776	1.0
125.09710	6.0
131.57257	0.9
137.09717	2.0
149.06100	1.2
151.11299	2.3
152.02205	0.9
161.04535	1.4
161.09711	4.5
163.11290	3.7
164.04893	1.4
165.12820	4.1
173.04536	1.5
179.10776	25.1
181.12361	2.1
191.10780	4.9
197.11862	54.2
205.08652	1.9
209.11871	100.0
211.13319	1.7
223.09776	9.6
227.13000	6.9
231.09459	0.9
241.10699	1.6
253.09250	5.3
255.12312	6.1
271.03995	1.2
301.16623	1.0
321.89587	0.9
324.31912	1.0
356.15155	0.9
366.83206	0.9
445.20956	2.0
534.17548	1.0
637.32495	1.2
655.40570	1.5
715.31964	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53146	0.2
59.01379	0.3
59.23178	0.2
62.86419	0.3
64.70249	0.2
71.01396	1.0
93.03458	3.4
106.04247	2.1
107.05067	0.5
119.05029	100.0
120.05330	0.6
121.02983	1.9
125.52775	0.3
131.05025	0.5
132.05775	2.6
133.06505	0.3
137.02422	0.6
141.87915	0.3
142.65909	0.3
143.05057	0.3
145.06657	2.0
152.58714	0.3
161.17502	0.3
163.04024	85.0
164.04225	0.3
176.72827	0.3
191.05687	0.5
209.06006	0.4
211.07703	1.9
221.09695	1.2
237.09256	3.8
239.10849	4.2
243.17569	0.3
283.09793	15.4
327.08801	88.0
328.09201	0.6
587.00659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84058	0.3
59.01392	0.8
69.43875	0.3
71.01403	0.7
92.10129	0.6
93.03452	19.8
96.99300	4.8
96.99768	0.3
106.04238	1.4
106.25197	0.3
109.32233	0.4
111.47400	0.3
112.73788	0.3
117.03429	0.7
119.05027	39.0
121.02946	1.5
123.04560	1.5
130.04257	0.8
131.05038	4.6
132.05814	1.5
133.02948	3.7
137.02428	0.4
143.05025	16.3
145.02971	2.6
145.06592	0.8
147.04555	0.6
159.04645	0.4
163.04024	30.4
165.05475	0.4
171.04494	1.7
182.62608	0.3
191.05673	0.5
211.07654	5.0
213.43697	0.4
219.08253	0.4
220.20924	0.4
221.09770	1.7
223.07648	0.7
235.07587	3.5
237.09204	5.6
265.08722	19.6
281.08237	0.3
283.09833	4.6
309.07779	4.6
317.05045	0.3
317.57022	0.4
327.08789	100.0
328.09122	0.7
344.49384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37867	0.2
54.82490	0.2
55.01866	0.4
59.01389	4.3
59.43000	0.2
61.98841	1.5
66.57291	0.2
69.03471	1.4
71.01385	6.5
73.02957	1.7
81.03476	0.3
83.01398	0.9
85.02965	1.6
87.00876	0.9
89.02455	1.5
93.03457	29.8
95.01384	1.2
97.02943	2.1
99.00883	0.5
101.02431	3.5
107.05040	2.5
108.02192	0.9
113.02460	2.1
116.92876	0.2
119.03484	0.9
119.05048	0.2
121.02961	100.0
122.03262	0.2
125.02457	6.7
131.03497	0.7
135.04538	43.3
136.01637	0.8
136.04840	0.2
137.02451	13.9
139.04016	0.3
143.03488	0.8
147.04565	0.3
149.02438	0.3
151.04027	1.4
158.11269	0.2
161.04547	1.0
161.05916	0.2
163.04030	6.1
170.81525	0.2
173.04591	0.3
179.03468	0.3
182.76715	0.2
189.05528	0.3
193.05127	0.8
197.06108	3.4
199.07654	1.6
207.10266	0.2
209.11847	0.5
211.13440	1.3
218.39687	0.2
223.06229	1.9
227.07181	13.8
229.16055	0.2
281.06851	0.5
283.08356	1.1
325.09320	3.0
348.08319	0.2
367.10260	2.1
425.10938	2.3
427.12585	2.6
449.28955	0.3
547.14648	2.0
625.51514	0.2
715.32489	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10394	0.1
57.03463	0.2
57.45779	0.1
59.01387	7.4
61.98820	0.3
63.29182	0.1
69.03479	0.2
71.01385	1.8
72.99316	0.2
73.02946	0.7
75.00907	0.2
80.22318	0.1
83.01413	0.6
85.02970	0.8
87.00874	1.5
89.02464	0.9
93.03461	0.8
97.02975	0.2
97.26460	0.1
101.02438	1.6
102.69652	0.2
108.02198	0.3
113.02473	1.6
117.03475	31.6
119.03519	0.3
119.05074	1.0
121.02964	3.0
125.02447	0.8
129.01938	0.2
131.03477	0.2
135.03038	0.2
135.04529	0.3
137.02419	0.3
143.03450	0.3
145.02971	100.0
146.03308	0.7
149.04642	0.1
151.04086	0.2
153.01863	0.2
161.04549	0.4
163.04033	1.3
173.04543	0.3
177.04176	0.2
179.05569	0.2
191.05687	0.6
229.05165	0.2
285.04138	0.3
323.09949	0.9
341.10858	1.1
366.64996	0.2
383.11978	1.9
425.13120	1.1
467.14447	0.3
499.39981	0.2
517.30066	0.2
595.16748	0.3
613.18304	0.6
655.18933	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	715.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21150	0.2
54.02573	0.2
59.01111	0.5
59.01396	9.4
61.98833	0.4
63.21603	0.3
71.01390	2.3
73.02963	1.5
75.00906	0.5
78.73102	0.2
83.01429	1.1
83.05093	0.3
85.02971	1.0
87.00894	1.6
89.02465	1.2
93.03489	1.4
101.02468	2.3
108.02206	0.6
113.02477	1.5
116.92856	0.5
117.03480	34.7
119.03545	0.3
119.05055	2.6
121.02970	4.7
123.04482	0.3
125.02443	0.4
134.03731	0.3
135.04524	1.2
137.02437	0.5
143.03529	0.3
145.02975	100.0
146.03311	0.6
150.03195	0.3
151.00424	0.4
155.10704	0.4
160.01755	0.2
161.02429	0.4
161.04561	0.4
163.04025	1.6
173.04579	1.1
177.04228	0.3
177.05759	0.3
179.05544	0.3
182.02264	0.3
191.05692	0.6
201.11490	0.3
209.11900	1.0
217.04997	0.3
222.64497	0.2
349.09195	0.5
355.87711	0.3
383.12128	1.0
389.12457	0.4
425.13132	0.4
467.14249	0.6
473.62338	0.3
517.30518	1.0
525.71991	0.3
547.43591	0.3
595.17316	0.3
613.17596	0.6
629.09314	0.3
655.18915	8.7
687.32391	0.4
715.33929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
59.01125	1.1
59.01396	5.0
66.89664	0.8
70.68182	1.1
71.01392	6.6
73.02958	5.2
80.07631	0.8
85.02962	7.9
87.00880	34.0
87.01378	1.8
89.02466	1.8
89.31625	0.9
89.58023	1.1
92.65685	0.8
93.03475	1.7
96.22201	1.1
98.26142	0.9
101.02465	5.8
109.02995	1.2
113.02484	4.1
115.72481	0.9
121.02992	1.3
123.00862	1.6
126.72110	1.0
128.43958	1.0
133.02989	1.4
141.39610	0.9
141.91464	1.1
151.56314	0.9
153.05600	1.5
161.02466	4.8
163.04030	12.8
164.04814	8.0
165.05638	1.5
166.02748	4.2
173.04514	1.9
175.03908	1.2
176.04811	4.6
177.01970	1.6
178.06386	11.8
179.03554	7.9
179.07170	19.3
181.05122	4.6
187.04071	1.9
191.03551	10.9
191.05632	26.2
191.07196	3.8
192.04308	1.4
192.06004	1.6
193.05049	6.1
193.08763	1.6
194.05847	4.6
201.01967	1.0
203.03491	4.7
205.05072	6.3
206.05827	6.4
207.06613	1.3
209.08197	5.2
214.74649	1.1
218.05873	3.8
219.02966	1.3
221.04602	4.0
221.08203	4.9
234.05293	1.7
235.06021	1.1
237.07701	2.3
238.05002	1.4
247.02455	4.4
247.06165	2.3
249.07707	4.3
251.09177	1.0
254.40247	1.0
262.04889	7.4
265.07236	35.2
277.07242	22.3
279.08789	1.6
295.05054	1.1
295.08276	23.2
353.09073	1.5
355.10330	7.3
359.56177	1.1
383.10022	4.4
401.10953	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	715.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	1.0
59.01386	32.5
59.83958	0.8
61.98849	0.7
71.01376	6.4
72.99320	3.4
73.02955	1.9
74.02492	0.8
83.01395	1.0
85.02962	3.5
87.00877	1.8
87.04490	0.9
89.02458	3.8
93.03468	3.7
97.02959	0.9
97.80349	0.9
101.02448	2.9
106.85895	0.8
108.02215	1.6
109.02979	1.9
109.37323	0.9
110.27061	0.9
113.02493	1.6
119.05013	4.4
120.18375	0.8
121.02962	9.5
135.00891	1.1
135.04556	4.7
137.02451	3.8
145.06593	0.9
147.04543	54.9
149.06154	0.9
151.00424	12.0
152.01195	1.8
163.00426	1.8
163.04095	1.8
165.05579	50.2
171.10330	1.1
178.99832	5.2
183.14005	0.8
191.05650	9.5
201.11397	8.2
207.06683	21.4
227.03519	1.4
243.02989	9.6
245.09511	1.0
255.03044	23.8
270.99594	1.8
271.02530	51.3
272.03058	1.7
300.02814	100.0
301.03589	39.5
311.55380	0.9
407.18958	0.9
463.08951	90.1
527.23553	1.6
551.31122	1.0
568.23975	0.9
657.87354	1.1
715.37335	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	39.1
65.00327	1.0
71.01402	3.6
71.49751	0.7
72.99333	4.1
81.07423	0.6
85.02987	1.1
86.07339	0.6
87.00900	0.9
89.02451	1.2
89.43003	0.6
93.03485	2.6
97.02949	0.7
101.02457	1.5
107.01436	2.6
108.02187	1.3
109.02980	4.7
110.03371	0.7
119.05035	7.0
121.02956	6.2
137.02434	2.7
141.83130	0.7
142.57718	0.7
143.05008	0.9
147.04544	81.3
148.01686	1.2
148.04811	0.7
151.00400	10.6
163.00433	1.5
165.05579	69.3
173.04601	0.7
178.99832	4.3
191.05627	3.4
207.06674	32.7
211.04123	0.7
226.02765	1.0
227.03526	1.4
243.02995	9.4
253.08734	1.5
254.02347	1.4
254.09108	1.0
255.03053	21.6
256.06458	0.6
271.02533	54.6
272.03238	0.9
273.03757	0.6
283.02585	0.9
285.53329	0.8
299.02200	1.3
300.02808	100.0
301.03555	29.0
342.65900	0.7
404.31961	0.7
414.10925	0.9
463.08929	79.5
464.08871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4753
Annotation	(2'S)-Deoxymyxol 2'-alpha-L-fucoside
Peak:m/z	Relative Intensity
53.23938	0.4
59.01393	2.7
71.01389	1.8
72.99314	0.4
73.09655	0.4
73.78824	0.4
75.00882	3.6
83.05056	0.5
85.02971	2.3
89.02467	0.9
93.03490	0.5
96.96004	0.6
101.02405	0.7
109.02898	0.5
113.02427	0.8
119.05041	2.4
120.05349	0.5
121.02938	0.6
135.03012	2.8
152.01210	0.6
169.80312	0.5
177.03996	0.8
185.11757	0.8
191.05647	0.8
192.11508	0.4
211.07526	0.5
225.15938	0.6
355.24661	0.5
373.26172	1.0
535.31433	5.2
595.17188	0.6
625.63361	0.4
677.50037	2.0
713.36456	7.1
713.47510	100.0
714.48016	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	713.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80661	3.3
59.01392	34.4
61.87753	4.8
61.98854	7.0
70.68824	4.2
71.01404	25.6
77.14817	4.0
83.98706	4.4
89.02468	25.5
101.02469	23.2
113.02477	7.8
120.18739	4.5
125.02467	5.7
129.58502	4.4
188.09311	4.6
209.11827	5.3
235.08279	6.2
255.23346	100.0
305.08701	4.8
389.96518	4.5
397.13681	93.3
415.14600	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	713.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.9
57.03454	0.8
58.00600	1.1
58.55051	0.5
59.01386	44.0
59.69602	0.4
61.98841	0.6
64.35255	0.5
67.47755	0.4
68.17632	0.5
69.03465	2.3
71.01382	27.1
72.99304	1.0
73.02940	5.3
75.44630	0.4
81.03448	0.9
83.01392	3.7
85.02952	7.3
87.00894	5.1
89.02440	29.6
91.04005	0.6
91.71226	0.5
91.91530	0.5
92.10057	1.0
93.56571	0.5
95.01395	1.8
97.02949	4.4
99.00874	2.1
101.02444	23.6
109.12866	0.6
111.04525	0.8
113.01686	0.9
113.02452	11.7
115.03987	0.6
119.03514	6.9
125.02441	8.3
133.05107	0.8
139.03983	0.7
141.01945	0.7
143.03537	3.5
161.04533	3.6
179.05620	3.0
221.06702	2.3
235.08214	10.1
253.09425	1.1
255.23332	100.0
256.23740	0.8
263.07748	0.8
287.07813	2.0
305.08780	3.2
323.09879	1.0
362.16629	0.5
397.13568	78.6
410.21460	0.6
415.14618	26.0
422.94302	0.6
439.42606	0.6
452.99533	0.5
455.86133	0.5
523.95050	0.6
653.37897	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85987	0.7
55.01898	1.5
55.75611	0.8
57.03466	4.7
58.43259	0.7
58.58490	0.7
59.01388	26.4
64.02278	0.6
64.87308	0.7
69.03465	1.2
71.01382	21.6
72.99333	3.5
73.02959	3.6
75.00872	48.0
83.01419	2.0
85.02956	15.5
85.03407	1.2
85.21143	0.7
87.00872	9.0
89.02457	7.7
96.96024	4.8
97.02952	1.7
98.95611	1.2
99.00861	6.2
101.02469	7.2
103.00361	7.7
105.02006	0.9
111.00866	1.3
113.02469	4.5
119.03516	1.5
119.05054	1.6
121.02958	1.5
125.09699	1.1
129.01941	11.0
141.01929	1.0
147.22238	0.8
152.01170	0.8
155.10783	1.2
159.02992	3.0
163.04037	1.7
171.10287	3.7
177.04059	34.1
183.13925	1.6
191.05602	0.9
244.51099	0.7
327.22009	1.0
355.24948	4.3
373.26163	13.5
387.27853	1.1
517.30066	5.8
535.31311	39.9
536.31744	0.9
537.33374	1.5
539.98041	1.1
677.34039	6.9
713.36316	100.0
714.36914	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	713.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82790	0.6
55.01888	2.7
57.03459	6.4
59.01390	49.0
63.17864	0.5
69.03479	2.4
71.01386	25.3
72.99318	3.5
73.02956	6.7
75.00878	36.0
76.45319	0.5
77.47997	0.5
83.00991	0.6
83.01385	4.7
84.02192	0.7
85.02962	17.4
87.00880	9.6
89.02451	5.9
92.10133	2.4
93.03471	1.2
97.02971	2.5
99.00886	9.5
99.75396	0.5
101.02457	13.3
103.00357	0.6
105.52481	0.6
108.02208	1.2
109.02980	2.1
111.00899	2.9
113.02478	6.4
115.04042	1.0
121.02957	8.9
123.08221	2.2
129.01958	14.8
131.03444	0.6
135.04602	1.1
141.01965	3.1
151.00395	2.5
152.01170	3.0
152.56046	0.5
153.02000	0.7
159.03058	6.0
161.04547	1.0
163.00270	0.5
177.04083	37.6
179.10759	2.2
183.04466	0.8
191.05595	0.9
195.05162	6.3
197.11935	0.8
211.04048	0.6
219.05089	0.6
221.51601	0.6
223.09781	1.1
227.03564	2.3
237.06223	1.1
255.03027	13.2
256.03516	0.6
271.02740	1.2
277.21725	2.7
283.02554	19.6
284.03204	3.2
285.04095	11.2
286.04596	0.7
295.22711	1.0
299.31696	0.6
300.02768	1.3
301.03546	2.8
334.14655	0.6
362.19400	0.7
373.26065	2.5
439.27026	0.7
447.09412	2.6
453.45840	0.7
457.28256	2.5
475.29251	2.5
514.12073	0.6
517.30438	0.9
520.00323	0.7
535.31384	14.5
544.42560	0.8
550.11188	2.6
551.12085	2.2
565.19763	1.1
621.24115	3.1
651.16272	1.3
677.33917	2.8
713.18335	5.0
713.36200	100.0
714.36420	3.2
740.33044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42658	4.5
59.01394	28.2
61.50819	4.7
61.98841	36.5
65.45456	5.1
71.01415	7.5
77.94793	5.1
84.07337	5.4
89.02464	30.1
99.00835	6.0
101.02453	14.3
110.91359	5.7
116.92860	22.0
117.92829	6.7
125.02487	7.2
135.04541	6.5
147.16626	7.1
200.21843	5.4
203.03407	5.6
209.59480	5.3
279.23343	92.1
397.13577	100.0
415.14670	30.6
451.99722	7.2
615.15253	8.1
713.35229	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02702	19.7
59.01378	28.6
61.98839	41.2
68.97507	23.4
92.10072	31.5
122.32090	25.8
282.08167	25.9
365.62286	27.7
370.50476	26.3
397.13510	50.5
713.02417	25.2
713.34479	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	713.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82539	0.8
55.01896	2.9
56.12473	0.5
57.03465	7.6
58.00623	0.9
59.01391	35.5
69.03477	2.6
70.32657	0.6
71.01394	27.3
72.99319	7.2
73.02965	4.7
75.00882	24.4
81.79247	0.6
83.01413	5.3
85.02965	26.2
85.03458	0.9
87.00877	5.9
89.02459	14.1
93.03483	3.5
95.01402	1.0
96.96023	1.3
97.02969	1.5
99.00891	8.8
101.02441	12.3
103.00375	0.7
108.02212	1.2
109.02978	2.9
111.00927	1.0
113.02467	6.3
119.03501	2.7
119.05051	4.0
120.05408	0.7
121.02951	5.7
123.08163	1.1
125.02442	1.2
129.01973	8.5
133.51144	0.7
135.02983	6.6
135.04555	3.0
136.03265	0.8
137.02470	1.3
139.11324	1.2
152.01170	3.9
153.01936	2.7
158.05632	0.6
159.03017	1.2
161.02434	0.7
163.03964	2.5
171.10242	1.5
173.04572	3.2
177.04074	12.7
179.03529	1.3
183.13943	0.9
185.11853	14.5
191.05627	6.8
192.27356	0.6
195.05119	2.9
211.07602	0.7
214.12172	0.9
215.12862	1.0
227.13033	0.8
271.06323	0.9
271.93011	0.8
327.21857	0.8
343.25101	0.8
355.24857	8.8
371.24374	0.7
373.26038	26.7
517.30286	5.7
535.31342	76.4
536.31848	1.1
563.19794	0.8
595.17285	1.3
653.92139	0.7
677.34058	3.6
713.36084	100.0
713.47699	21.6
714.36487	3.6
731.20148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14153	0.7
56.03315	0.7
56.88316	0.7
57.03462	5.4
58.00592	0.9
59.01385	27.1
60.61199	0.7
64.92411	0.9
68.99847	0.8
69.03455	1.4
70.74001	0.7
71.01383	13.5
71.04981	0.8
71.20679	0.7
72.04356	0.7
72.99323	3.9
73.02958	4.9
75.00872	16.3
81.03447	1.5
82.30148	0.9
82.95429	1.1
83.01385	3.9
83.05008	0.8
85.02959	13.6
87.00888	6.7
87.04522	5.6
88.98796	0.9
89.02459	5.8
93.03460	3.7
95.01401	3.2
96.96028	4.5
97.02948	3.2
97.06580	1.1
98.95605	1.7
99.00887	4.5
101.02451	9.1
103.54414	0.8
108.02179	55.9
109.02962	42.5
111.00906	1.1
113.02475	6.9
115.04017	3.5
116.13415	0.8
119.03469	1.4
119.05006	4.9
121.02958	100.0
123.00827	1.2
123.04528	3.1
125.02478	1.2
125.09688	1.3
129.01924	5.2
133.25784	0.8
135.00874	1.6
135.02988	1.1
135.04529	18.3
137.02463	3.7
141.01891	0.9
145.02980	2.0
151.00291	1.4
151.04007	1.1
152.01169	68.2
153.01942	26.1
159.02980	4.4
160.01730	3.2
161.76640	1.0
163.04015	4.0
165.01917	1.0
165.05530	0.9
171.10294	3.4
175.03926	3.3
177.04071	18.9
179.03383	0.9
191.05624	5.5
193.04903	1.0
197.05017	0.9
201.11348	14.6
211.07639	5.3
241.14516	0.9
243.12454	1.3
243.16016	3.3
271.02615	1.4
300.02774	1.6
301.03430	0.8
337.09363	3.3
373.25891	1.8
397.22321	4.0
409.13440	5.7
469.16913	5.5
499.18265	3.9
531.17163	5.7
535.31146	5.4
609.11615	1.3
663.83289	1.0
695.28949	5.1
713.30652	42.4
714.30365	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	713.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14153	0.7
56.03315	0.7
56.88316	0.7
57.03462	5.4
58.00592	0.9
59.01385	27.1
60.61199	0.7
64.92411	0.9
68.99847	0.8
69.03455	1.4
70.74001	0.7
71.01383	13.5
71.04981	0.8
71.20679	0.7
72.04356	0.7
72.99323	3.9
73.02958	4.9
75.00872	16.3
81.03447	1.5
82.30148	0.9
82.95429	1.1
83.01385	3.9
83.05008	0.8
85.02959	13.6
87.00888	6.7
87.04522	5.6
88.98796	0.9
89.02459	5.8
93.03460	3.7
95.01401	3.2
96.96028	4.5
97.02948	3.2
97.06580	1.1
98.95605	1.7
99.00887	4.5
101.02451	9.1
103.54414	0.8
108.02179	55.9
109.02962	42.5
111.00906	1.1
113.02475	6.9
115.04017	3.5
116.13415	0.8
119.03469	1.4
119.05006	4.9
121.02958	100.0
123.00827	1.2
123.04528	3.1
125.02478	1.2
125.09688	1.3
129.01924	5.2
133.25784	0.8
135.00874	1.6
135.02988	1.1
135.04529	18.3
137.02463	3.7
141.01891	0.9
145.02980	2.0
151.00291	1.4
151.04007	1.1
152.01169	68.2
153.01942	26.1
159.02980	4.4
160.01730	3.2
161.76640	1.0
163.04015	4.0
165.01917	1.0
165.05530	0.9
171.10294	3.4
175.03926	3.3
177.04071	18.9
179.03383	0.9
191.05624	5.5
193.04903	1.0
197.05017	0.9
201.11348	14.6
211.07639	5.3
241.14516	0.9
243.12454	1.3
243.16016	3.3
271.02615	1.4
300.02774	1.6
301.03430	0.8
337.09363	3.3
373.25891	1.8
397.22321	4.0
409.13440	5.7
469.16913	5.5
499.18265	3.9
531.17163	5.7
535.31146	5.4
609.11615	1.3
663.83289	1.0
695.28949	5.1
713.30652	42.4
714.30365	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	713.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95046	0.2
59.01383	1.9
59.01650	0.3
62.76449	0.2
69.03455	1.7
71.01390	2.2
72.61051	0.3
75.00893	0.7
85.02950	0.5
87.00867	0.4
89.02486	0.3
91.29234	0.3
92.10812	0.7
93.03455	15.6
93.43608	0.3
96.99314	1.8
99.00906	0.5
101.02441	0.6
106.04232	1.4
107.05063	0.3
108.02203	0.4
113.02484	0.3
115.00433	0.9
117.03454	1.5
119.05026	92.6
119.40030	0.3
121.02959	8.0
122.03308	0.6
123.04525	1.4
131.05003	3.0
132.05788	2.5
133.02956	2.7
134.03716	0.4
135.03049	1.6
136.75742	0.3
137.02441	2.9
143.05035	8.7
145.02982	1.6
145.06627	2.6
147.04498	0.5
163.04024	68.7
164.04391	0.3
171.04564	0.6
173.04634	0.4
185.00879	0.7
191.05632	1.9
209.06139	0.6
211.07765	3.7
219.08055	0.4
221.09734	2.1
223.07684	0.7
235.07642	1.9
237.09222	5.2
239.10805	2.8
265.08719	11.0
283.09793	12.5
307.04785	0.4
309.07910	2.5
327.08801	100.0
328.09247	1.2
369.39786	0.4
470.57880	0.3
521.20251	2.0
533.20630	1.6
644.22778	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49873	0.4
57.03473	0.8
59.01398	2.4
67.01910	4.6
69.03478	0.5
71.01399	3.5
75.74001	0.4
83.05019	0.6
85.02974	0.5
86.52729	0.4
87.00890	0.8
92.10737	1.0
93.03461	27.2
97.28947	0.5
101.02429	0.5
109.02953	1.1
111.00859	0.5
111.04523	6.8
121.02956	23.6
127.63199	0.5
137.02434	5.6
155.03506	4.3
161.33035	0.5
173.04567	100.0
174.04977	0.5
191.05655	2.9
295.08261	25.9
339.13184	0.5
514.81372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44242	0.2
59.01387	4.3
71.01377	3.3
73.02939	2.5
85.02965	1.1
87.00871	1.0
89.02451	2.9
90.67712	0.2
93.03467	1.3
96.96019	0.3
101.02440	1.8
103.04010	0.5
106.24505	0.2
109.02921	0.3
113.02457	1.1
114.40343	0.3
119.03494	1.4
119.05018	2.7
121.02955	100.0
122.03278	0.4
127.04066	0.3
129.45309	0.2
131.07179	0.2
135.04521	1.5
137.02417	0.4
147.03043	0.6
161.02422	0.3
163.04022	3.3
169.04883	0.3
173.04572	2.0
179.03534	1.2
191.05623	3.8
192.05928	0.4
254.08403	0.3
269.06702	17.9
289.07104	0.4
293.12421	0.4
323.13556	5.1
353.08817	1.8
540.02069	0.3
558.54852	0.3
609.57013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.4
61.98837	1.1
62.03408	0.2
62.94912	0.2
63.09451	0.2
71.01389	0.9
73.02936	0.4
75.00877	0.2
77.03976	0.2
82.75459	0.2
83.04989	0.2
85.02936	0.8
86.21912	0.2
87.00873	0.4
89.02412	0.2
89.03992	0.2
93.03464	0.8
95.04985	0.3
101.02453	0.8
104.02633	0.2
105.03478	0.9
108.02168	2.1
109.02958	1.5
113.02442	0.7
115.01906	0.7
117.03445	1.0
119.05019	0.2
121.02945	2.5
122.03757	0.2
123.04530	0.8
125.02417	0.3
132.02168	3.9
133.02960	47.8
135.04544	2.1
137.02489	0.3
145.02975	0.3
152.01164	2.1
152.03554	2.1
153.01942	1.0
153.05589	0.3
156.24074	0.2
161.02454	100.0
162.02834	0.3
163.03879	0.2
179.03514	0.8
191.05714	0.3
285.03943	0.2
289.06961	0.2
407.11630	0.4
449.13181	1.2
653.18256	0.8
671.18219	0.4
706.76770	0.2
713.19324	2.9
713.31024	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	713.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06072	0.2
55.01890	0.2
56.85216	0.2
57.03461	0.2
59.01387	11.3
61.78357	0.2
61.98845	0.4
65.07710	0.2
69.03460	0.5
71.01385	1.4
73.02946	1.0
75.00882	0.2
77.03989	0.3
79.98668	0.2
83.01395	0.8
83.05045	0.5
85.02968	1.2
87.00890	1.0
87.09219	0.2
88.98793	0.4
89.02451	0.9
89.89036	0.2
91.74287	0.2
93.03471	1.8
95.01411	0.3
96.96009	0.4
97.02979	0.2
101.02431	1.5
105.03477	1.0
108.02194	1.9
109.03017	1.6
113.02412	0.6
115.01915	0.3
116.92905	0.2
117.03465	1.3
119.04999	0.4
121.02955	5.5
123.04533	0.4
125.02479	0.5
127.04020	1.1
132.02177	3.8
133.02968	47.6
134.03683	1.0
135.03035	0.3
135.04518	4.4
137.02458	0.5
139.07666	0.4
145.03009	0.4
152.01091	1.5
153.01917	1.0
160.01633	0.3
161.02466	100.0
162.02809	0.4
163.04048	0.2
173.04581	2.3
174.04901	0.3
178.02615	0.2
179.03543	1.9
191.05647	1.0
193.05095	0.5
196.05553	0.2
210.07008	0.3
217.05037	0.3
220.57797	0.2
227.03479	0.5
229.05075	0.3
235.06262	0.3
255.03079	2.1
283.02545	2.6
284.03311	1.0
285.04077	1.0
298.04849	2.3
299.05588	1.7
300.02780	0.3
330.81430	0.2
375.27557	0.4
376.27991	0.4
407.11597	0.2
461.10843	2.0
550.33026	0.4
551.33508	0.4
593.14868	0.3
631.37042	0.3
653.17615	1.5
671.18372	2.1
675.36621	0.9
713.19409	5.4
713.30975	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	13.3
60.97882	0.6
61.98837	3.6
65.00362	0.6
67.45095	0.6
69.31740	0.7
71.01392	4.3
75.00883	0.8
83.01391	1.0
85.02949	3.0
87.00894	1.9
89.02443	1.4
89.46172	0.8
90.61327	0.8
93.03461	3.1
96.96016	1.4
99.00854	1.0
101.02456	1.3
103.87904	0.7
105.03528	1.1
108.02173	9.2
109.02959	9.0
110.07873	0.8
113.02465	1.2
117.03469	1.7
117.61896	0.8
119.03509	0.7
119.05037	3.3
121.02943	14.6
125.02449	1.0
128.54063	0.7
132.02206	2.8
133.02959	44.5
134.03729	0.8
135.00858	1.8
135.04515	5.0
137.02440	1.2
145.02969	8.4
152.01160	10.5
153.01953	9.2
157.81982	0.8
160.01590	0.8
161.02454	100.0
163.04048	1.4
170.11339	0.8
173.04543	3.0
177.01938	0.8
177.05635	0.8
178.02769	1.0
179.03471	1.0
191.05624	3.2
193.05121	1.1
212.08286	0.7
224.26376	0.7
225.05664	0.8
252.21297	1.0
295.02713	1.0
338.06073	0.8
362.42697	0.8
447.07443	1.2
605.15222	1.3
630.43427	0.9
653.17700	1.0
713.18726	6.4
713.30835	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	713.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35202	0.5
59.01388	13.7
60.99329	0.6
61.98837	7.8
64.75901	0.4
67.34870	0.4
68.18383	0.5
71.01384	1.1
73.02969	0.4
88.98824	3.1
89.02457	0.9
90.70885	0.5
93.03461	2.0
96.96017	11.0
101.02440	1.0
109.02972	0.6
110.10397	0.5
110.37055	0.5
113.02486	0.7
115.01946	0.5
117.03469	0.9
119.05028	0.7
121.02976	5.5
123.04550	1.2
132.02187	4.0
133.02962	46.3
135.04521	3.8
137.02472	0.5
137.06001	0.5
144.19211	0.5
153.05579	0.7
161.02460	100.0
173.04535	0.6
191.05640	1.1
323.10544	0.6
713.19629	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	713.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	12.4
61.98835	0.2
65.67570	0.1
71.01390	0.7
73.02956	0.5
76.58381	0.1
76.59386	0.1
77.03966	0.1
83.01408	0.2
85.02963	0.5
87.00892	0.5
89.02448	0.4
89.03969	0.2
92.10740	0.2
93.03455	0.6
95.01398	0.1
95.05040	0.2
99.04500	0.1
101.02464	0.6
104.02683	0.2
105.03486	1.0
108.02198	0.5
109.02972	0.7
113.02469	0.6
115.01919	0.2
115.30664	0.1
117.03467	0.8
121.02954	0.9
123.04556	0.2
125.02407	0.7
132.02190	3.2
133.02968	44.0
134.03250	0.2
135.04561	1.3
137.02437	0.7
143.03520	0.2
145.03015	0.2
152.01201	0.2
153.01923	0.2
160.01656	0.2
161.02470	100.0
162.02858	0.7
163.04080	0.1
173.04593	0.2
179.03546	0.6
184.70825	0.1
185.04456	0.1
201.05693	0.1
201.11519	0.1
212.61105	0.1
241.04985	0.1
254.51392	0.1
284.03409	0.2
285.03995	0.2
305.09052	0.2
308.18143	0.1
323.09976	0.2
332.45078	0.1
345.23080	0.1
360.87070	0.1
365.11115	0.2
407.11484	0.6
449.12918	1.1
509.15717	0.2
653.17444	0.7
671.18347	0.7
713.19574	3.5
713.31012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06133	0.2
53.54249	0.2
54.15795	0.2
56.91032	0.2
59.01392	1.5
61.98843	100.0
70.09278	0.2
71.01394	0.4
73.02974	0.4
101.02461	0.3
110.71646	0.3
111.92888	0.2
121.03028	0.2
194.01755	0.2
217.27573	0.2
266.02744	0.3
274.19574	0.2
296.66306	0.3
305.88184	0.2
312.55353	0.2
338.22382	0.3
354.87375	0.2
375.84131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34186	0.6
59.01389	5.6
60.01724	0.6
61.98837	100.0
63.57461	0.5
65.94588	0.5
67.55292	0.5
71.01408	1.0
72.20525	0.5
73.79185	0.5
85.25573	0.6
121.02962	4.2
148.94614	0.6
150.80696	0.6
170.26280	0.6
185.04333	0.6
191.05595	0.7
378.23111	0.6
489.31522	1.0
490.32361	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01812	0.1
52.16869	0.1
56.67129	0.1
59.01393	14.0
61.98845	3.7
64.64825	0.1
67.06837	0.1
71.01405	0.6
73.02934	0.2
77.03974	0.2
78.95901	0.2
85.02940	0.3
87.00901	0.4
89.02489	0.2
89.03986	0.2
93.03456	0.4
101.02443	0.6
105.03460	0.9
113.02464	0.3
115.01913	0.2
117.03467	0.9
119.05057	0.3
121.02968	1.8
122.59298	0.1
123.04516	0.3
132.02180	3.2
133.02966	46.0
135.04500	0.6
137.02505	0.3
143.03545	0.2
145.02966	0.4
145.52676	0.2
155.10783	0.1
160.01749	0.2
161.02461	100.0
162.02792	1.1
173.04527	0.8
193.05072	0.2
277.09479	0.2
305.08936	0.2
323.09863	0.2
335.59497	0.2
357.24011	0.2
407.11948	0.3
449.13162	0.6
467.14236	0.2
509.15424	0.7
572.72412	0.2
653.16821	0.3
713.19922	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69810	0.6
59.01389	1.5
61.98404	0.6
61.98513	0.9
61.98840	15.0
73.68932	0.8
80.71522	0.7
82.24813	0.8
99.92577	3.6
116.92201	0.9
116.92867	39.9
117.03481	15.6
119.05030	24.7
121.02957	36.9
145.02969	100.0
146.03366	0.9
150.04510	1.1
163.04013	14.0
319.02982	0.9
437.29932	1.1
469.33530	6.1
513.32275	1.9
543.07086	1.0
633.38104	67.5
634.38434	1.5
651.39362	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	712.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97364	0.1
56.60522	0.1
59.01393	1.0
59.01654	0.1
61.80222	0.1
61.98845	100.0
75.00874	0.2
83.01403	0.1
88.25814	0.1
101.02425	0.2
109.05240	0.1
141.11763	0.1
560.87006	0.2
572.77374	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09948	3.0
52.76947	2.8
57.03484	2.9
59.01388	100.0
59.54633	3.4
61.98845	26.7
62.00159	3.4
71.01382	26.4
72.20966	3.3
74.81533	3.1
85.02926	4.5
89.02455	19.8
92.10797	3.9
92.66010	4.5
93.03439	4.3
95.86323	3.2
101.02417	15.0
113.02450	8.3
114.45313	3.3
121.02956	59.6
145.02948	14.7
163.03969	5.6
183.13953	13.7
191.05603	6.9
197.11877	20.7
206.05469	3.5
209.11871	42.3
253.09465	3.8
304.92334	3.8
329.09232	6.2
366.84698	3.7
373.25760	4.1
487.34079	4.5
488.34891	28.5
489.35077	20.2
651.40717	4.5
673.34686	7.5
711.34241	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	711.3461
Annotation	Cyclomontanin D
Peak:m/z	Relative Intensity
55.01895	1.1
57.03461	7.3
58.00597	0.5
59.01390	30.8
59.48244	0.5
60.99323	0.5
61.98854	0.7
66.93605	0.4
67.01906	0.5
68.99828	0.6
69.03468	3.2
71.01389	26.3
72.99317	6.4
73.02953	3.5
75.00881	68.2
78.95941	0.6
83.01414	4.3
83.01836	0.4
85.02965	17.5
85.03457	0.8
87.00889	9.9
89.02458	14.9
93.03469	2.9
93.08141	0.5
95.01379	0.7
96.96015	16.4
97.02940	3.3
97.06619	0.6
99.00877	5.6
101.02457	7.4
103.00407	4.2
103.92204	0.5
104.62289	0.5
108.02167	0.7
109.02972	0.6
111.00926	0.8
113.02459	5.2
115.04023	0.8
117.01958	1.9
119.03500	2.7
119.05031	9.6
121.02950	3.5
123.08177	0.6
125.02409	0.7
125.09713	2.9
129.01944	11.4
131.03532	0.6
135.03012	33.6
135.04524	1.2
137.02411	0.9
139.11276	1.0
141.01961	0.9
145.02985	1.0
145.45265	0.5
152.01167	1.8
153.01923	0.9
155.10712	0.8
159.02960	2.5
161.02419	0.8
162.02917	0.6
163.03990	5.9
171.10236	6.3
173.04567	1.1
177.04068	37.7
185.11858	3.3
191.05647	4.4
201.11292	0.6
210.06952	1.0
211.07686	8.6
215.12915	0.5
223.07643	0.5
227.03568	0.8
237.09166	0.9
239.10814	2.4
255.02991	0.6
265.08734	0.6
277.81857	0.6
279.08698	0.5
284.03244	1.8
301.16107	0.6
301.27661	0.5
327.08740	0.8
341.23328	2.2
353.23337	7.9
371.24417	16.7
377.22882	0.5
470.14276	0.5
486.34906	0.7
515.28735	6.1
533.29755	32.7
534.29755	0.6
535.31293	0.7
593.17029	0.7
675.32599	8.0
711.34601	100.0
712.34723	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	711.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45067	0.1
57.03450	0.9
59.01393	1.8
62.09181	0.1
64.89760	0.1
67.01896	3.4
69.03468	0.8
71.01385	3.1
72.97559	0.1
81.03474	0.6
83.05032	1.0
85.02979	0.3
87.00881	0.3
93.03459	24.1
94.03776	0.2
99.04514	0.2
109.02977	0.8
111.00915	0.9
111.04533	5.2
113.02481	0.5
121.02957	21.2
122.03400	0.1
127.04015	0.3
130.16563	0.1
133.48045	0.1
137.02449	4.7
137.03482	0.2
155.03526	4.2
171.79155	0.1
173.04567	100.0
174.04968	1.0
191.05632	0.5
211.07683	0.2
250.06705	0.2
270.05518	0.1
295.08292	24.6
296.08612	0.2
309.08041	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.9
58.95256	1.5
59.01388	38.0
59.43636	1.8
61.98840	3.8
68.61090	1.6
71.01380	23.4
73.02959	4.1
81.58737	2.0
83.01411	2.5
85.02973	4.1
87.00891	2.6
89.02443	26.9
97.02940	4.3
101.02454	16.4
113.02466	10.7
119.03498	3.0
121.02955	9.1
125.02441	3.0
145.02986	7.2
179.05528	2.8
235.08218	9.3
253.21776	35.9
277.21780	44.3
305.08926	2.6
397.13614	100.0
415.14673	39.0
497.32367	2.9
633.37695	3.0
651.37537	3.0
675.36035	11.9
711.33881	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	8.8
59.45052	0.3
70.75072	0.3
71.01388	4.2
72.99311	6.1
73.02972	0.6
75.00877	52.6
84.32921	0.3
85.02997	1.5
87.00893	1.5
89.02450	10.2
92.10809	1.0
93.03466	4.4
95.01421	0.3
96.96019	1.9
99.00874	0.6
101.02473	0.7
103.00359	0.4
109.02958	0.7
111.00940	0.3
111.35156	0.3
113.02475	0.4
117.01945	3.7
117.29168	0.3
119.05025	22.0
120.05315	0.5
121.02975	3.8
122.34027	0.4
125.09752	0.5
129.01982	0.5
131.05031	0.6
135.03008	100.0
136.03326	0.5
137.93251	0.3
143.04996	0.6
145.03001	0.6
145.06660	0.4
161.02431	0.5
163.04030	9.8
173.04526	0.8
177.04189	1.1
177.05573	0.8
191.05574	3.1
193.05185	0.4
193.56909	0.3
201.11334	0.6
201.71242	0.3
210.06903	9.4
211.07684	17.7
223.07607	0.7
237.09256	2.9
239.10812	3.2
253.08698	1.5
265.08664	0.6
327.08719	0.6
328.09146	0.5
392.60599	0.4
477.15662	6.8
533.29712	0.5
542.60199	0.3
565.15057	0.4
575.15765	0.5
593.16840	6.6
627.12634	0.5
711.22717	0.4
711.34888	3.1
744.10638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30051	0.1
53.91068	0.1
57.03456	0.5
59.01106	0.2
59.01389	2.3
61.79606	0.1
61.98835	0.2
63.15046	0.1
66.95012	0.1
71.01384	1.6
72.99318	0.2
73.02948	0.5
75.00873	3.7
78.95911	2.2
79.95746	2.1
83.01370	0.2
83.05040	0.2
85.02942	1.2
87.00879	0.8
89.02450	0.8
93.03447	1.0
96.96017	100.0
99.00867	0.3
101.02454	0.8
108.02176	0.2
109.02985	0.3
111.04537	0.1
113.02464	0.6
117.03475	0.7
119.03595	0.1
119.05040	4.7
121.02985	1.0
129.01927	0.3
135.03000	0.6
135.04559	0.5
137.02451	0.2
145.02966	2.4
155.10797	0.2
161.02420	0.1
163.04042	2.9
173.04503	0.5
177.04082	2.3
185.11818	0.5
191.05626	1.0
201.11324	0.3
209.11874	0.1
211.07700	1.5
223.07785	0.2
237.09181	0.3
239.10786	0.7
327.08795	0.3
353.23685	0.2
371.24506	0.8
375.20792	0.1
515.28619	0.2
533.29688	2.3
593.16833	0.7
613.17657	0.2
675.32166	0.4
694.29529	0.1
711.34723	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	711.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85971	0.6
53.84562	0.7
57.03453	0.8
57.92297	0.8
59.01388	18.5
61.62944	0.8
68.18520	0.8
71.01389	12.6
72.99307	7.0
73.02950	1.2
75.00876	51.8
76.57745	1.0
85.02970	6.1
87.00893	3.6
88.98834	1.5
89.02458	15.6
90.55357	0.8
93.03467	14.2
96.96023	56.2
99.00897	0.9
99.92599	4.8
101.02485	1.9
105.28645	0.8
109.02969	1.7
111.04562	1.0
113.02471	1.7
114.38940	0.9
116.92873	53.6
117.03502	1.4
119.05038	98.9
120.05399	1.6
121.02964	9.7
123.04516	1.0
129.01933	1.9
131.05051	5.1
135.03014	100.0
135.04601	3.9
136.03343	1.0
143.05019	3.6
145.02960	2.0
145.06573	4.5
153.09314	1.6
159.04578	1.5
161.02429	0.9
163.04030	43.5
171.04578	1.4
173.04555	4.7
177.04050	5.8
177.05553	1.8
182.54338	0.8
191.05646	6.8
195.08122	1.1
210.06908	11.8
211.07709	25.6
219.03181	0.8
219.08232	0.9
223.07730	8.0
229.05162	1.1
235.07607	3.7
237.09244	28.9
238.10025	1.5
239.10840	15.0
241.11324	0.9
253.08786	4.1
263.07117	1.7
264.07953	1.9
265.08713	8.1
283.09732	1.1
285.04129	6.0
311.30502	0.9
327.08694	1.9
328.09229	1.5
371.24554	2.0
477.15366	6.3
505.78342	1.2
508.52530	1.0
533.29712	6.2
549.18445	1.1
558.03387	0.9
593.16797	49.0
594.16431	1.0
711.21173	7.2
711.35052	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	709.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14557	6.3
58.38169	5.2
59.01400	7.2
61.98836	7.5
63.25692	5.0
64.83743	4.9
78.95918	32.4
151.11281	10.6
152.99602	33.7
169.12399	49.5
255.23396	8.2
267.52838	7.3
277.21704	67.9
304.25919	6.1
397.69592	6.4
691.38312	24.9
709.41486	100.0
710.41949	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	709.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	29.2
61.98844	0.2
63.20175	0.2
71.01391	0.3
77.10073	0.2
83.86907	0.2
89.02455	0.3
109.52795	0.2
119.03494	0.3
119.05006	0.3
121.02983	0.5
171.10284	0.5
197.59840	0.2
209.11891	2.2
227.12859	0.4
258.14478	0.2
260.27399	0.2
349.03821	0.2
388.08893	0.3
424.21356	0.2
487.34390	100.0
488.34714	1.9
511.94550	0.3
639.55817	0.3
649.40033	1.8
709.41675	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32175	0.4
54.99349	0.5
55.01916	0.5
57.03472	0.9
59.01386	7.2
71.01065	0.5
71.01383	4.6
73.02959	0.8
78.95934	2.0
85.02972	1.0
89.02455	4.6
90.51008	0.5
96.68705	0.5
97.06590	3.9
101.02461	3.1
113.02457	2.3
119.03532	0.8
143.03473	0.5
151.11316	13.1
152.99620	2.1
155.06641	0.6
161.04588	0.6
169.12366	100.0
195.10352	1.2
199.13380	1.0
213.11368	8.7
227.12939	0.7
235.08409	0.6
253.09343	2.0
255.23341	1.0
259.37244	0.5
277.21777	23.2
431.18817	0.6
449.20261	5.4
472.27637	0.5
691.37610	1.2
709.41846	67.4
710.42133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82278	0.8
56.03828	0.8
56.62803	0.8
59.01388	37.7
61.98841	10.2
71.01409	2.0
85.92621	1.1
87.00885	1.7
89.02435	1.5
93.03455	2.1
113.02457	1.2
116.98766	0.9
119.05097	1.0
121.02975	12.6
137.02422	1.6
138.88571	0.9
209.11758	1.7
211.13330	1.1
264.64575	1.0
327.08780	1.9
373.27319	1.1
487.34399	100.0
489.08429	1.2
501.70404	1.1
655.21448	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94972	0.2
57.03461	0.2
59.01392	22.2
60.59720	0.1
61.98841	0.8
67.01913	0.2
71.01395	2.0
71.05022	0.2
75.00902	0.2
75.97940	0.2
78.95929	0.2
81.03510	0.2
83.01373	0.2
85.02972	0.9
87.24972	0.2
89.02470	0.8
92.10124	0.4
93.03471	2.4
96.96024	0.3
97.02986	0.2
101.02482	0.8
109.02973	0.9
111.04519	0.3
113.02460	1.3
116.92884	0.3
119.03512	0.3
119.05000	0.4
121.02956	2.3
131.54279	0.2
135.00883	1.0
135.03003	0.2
135.04544	1.2
137.02449	1.1
153.01939	1.1
155.03535	0.3
161.02472	0.4
161.04579	0.3
171.10338	0.3
173.04572	6.8
177.04056	0.3
187.07640	0.7
191.05609	0.9
209.11935	0.3
215.06857	0.2
227.12933	0.2
229.08607	0.4
231.30443	0.2
257.08231	0.2
263.45673	0.2
295.08505	0.2
309.67044	0.2
327.08902	0.2
371.11273	0.2
373.25980	2.8
487.34366	100.0
488.34665	2.2
501.35587	0.3
542.38574	0.2
547.31226	2.9
580.42413	0.2
627.10858	0.2
649.39398	0.9
673.21954	0.3
709.37067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3944
Annotation	Myrtucommulone H
Peak:m/z	Relative Intensity
57.28601	0.7
58.00599	0.8
59.01405	1.0
65.40585	0.7
77.74783	0.7
78.95911	49.5
83.05047	6.9
87.52882	0.7
88.52399	0.7
92.10225	1.2
96.48173	0.8
96.96991	3.8
98.43880	0.8
100.35178	0.8
116.92859	1.5
121.42516	0.8
125.09718	4.8
127.11286	6.1
134.03668	1.3
136.26553	0.8
137.09689	1.3
137.78096	0.8
148.10388	0.7
152.99602	74.4
154.28874	0.8
155.10805	2.9
163.11327	4.7
165.09244	3.1
165.12822	3.2
171.00647	9.4
171.10275	3.3
191.10727	1.3
199.09810	1.9
201.11363	88.2
202.11729	1.3
209.11871	99.1
227.03328	6.3
227.12929	5.1
245.04315	1.4
253.21762	9.3
255.23151	0.9
296.07666	1.0
337.10748	1.2
363.12271	1.3
381.13260	1.9
411.14212	0.9
429.15515	3.0
437.15784	1.7
455.17014	13.5
473.17969	42.9
691.38385	9.8
709.39496	100.0
710.39923	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	709.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	0.8
57.03483	0.4
58.12988	0.4
58.49807	0.5
59.01389	100.0
60.52657	0.4
69.03471	2.5
70.57899	0.4
71.01384	25.8
71.01773	1.0
72.99333	0.8
73.02950	40.6
75.00879	0.6
78.03266	0.5
81.03448	1.1
83.01391	8.5
85.02969	5.3
89.02447	0.7
90.24841	0.6
97.02966	2.5
99.00921	1.2
101.02445	36.7
103.60513	0.6
107.98260	0.5
109.02975	0.6
113.02468	11.0
114.93484	0.5
116.92815	0.5
119.03487	0.7
125.02475	6.6
125.32182	0.6
131.03481	2.0
143.03531	7.4
151.41801	0.5
155.03575	4.4
161.04538	4.7
183.81570	0.5
189.04025	0.8
203.05632	10.5
203.10832	0.5
218.70341	0.5
229.48282	0.6
263.07901	0.9
321.48993	0.6
487.33136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	5.1
58.00597	0.6
59.01397	71.8
61.98829	2.7
71.01392	9.3
72.99303	0.7
73.02971	4.2
75.00860	0.5
78.95897	0.9
83.01387	3.3
83.05038	3.9
85.02962	4.0
85.92216	0.4
88.22657	0.4
88.98734	0.5
89.02456	6.7
89.32107	0.5
92.10796	1.1
93.03464	11.8
95.01402	0.8
96.99291	1.0
101.02439	4.6
109.02932	0.5
113.02462	5.4
117.03400	1.9
119.03545	3.7
119.05020	6.6
121.02968	23.8
123.04517	0.9
129.84114	0.4
131.04944	2.6
133.02956	1.1
135.04460	1.1
137.02420	3.7
141.30083	0.4
143.05038	9.5
145.02991	3.7
152.11534	0.5
155.03496	1.8
161.04469	1.1
163.04066	3.2
165.12819	0.6
170.56563	0.5
171.04443	0.6
173.04395	0.8
179.05563	1.9
179.65744	0.5
183.12616	0.5
183.13901	6.9
191.05582	1.0
209.11880	5.1
211.07680	7.1
216.24945	0.5
227.12866	0.5
235.07504	2.0
237.09303	3.6
263.10822	0.5
265.08786	9.2
277.06915	2.5
294.27432	0.5
299.13589	0.5
309.07565	1.1
327.08810	27.9
328.08896	0.7
390.17728	0.4
399.10632	1.7
411.28732	2.6
416.94589	0.5
427.28217	0.9
443.31741	3.4
462.15604	0.6
469.29620	11.0
483.31250	5.8
487.30350	100.0
488.30801	0.7
501.31720	0.8
511.30240	1.9
521.63098	0.5
529.31714	5.3
537.49640	0.7
587.15082	2.6
649.38635	0.6
673.33868	2.9
709.18268	1.0
709.35754	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90228	3.1
59.01395	100.0
61.98839	6.8
71.01408	9.4
73.02953	9.1
77.35875	4.6
78.44177	3.4
79.26456	4.0
81.67628	3.6
83.01418	4.0
87.63853	3.6
92.10837	6.1
101.02462	17.2
101.85038	4.5
114.06170	4.7
132.76204	4.3
135.75189	4.5
161.60875	4.2
211.13528	7.4
243.12086	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	709.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82899	0.3
55.01884	0.6
56.44505	0.3
57.03460	0.4
58.00611	0.3
59.01386	100.0
61.98838	1.3
63.54137	0.4
65.30116	0.3
69.03469	2.9
71.01382	21.6
72.99314	0.5
73.02944	31.8
75.00870	0.7
75.42392	0.3
81.03468	0.7
83.01384	6.8
85.02940	4.5
89.02435	0.8
93.67647	0.4
95.01403	0.4
96.53051	0.3
97.02934	2.8
99.00872	1.5
101.02444	30.4
104.98599	0.3
113.02460	8.9
121.02923	0.5
125.01614	0.5
125.02452	7.8
131.03531	2.9
135.12659	0.3
143.02484	0.5
143.03500	4.7
145.45341	0.3
155.03540	3.2
161.04581	4.2
173.26180	0.3
191.05624	0.4
203.05626	7.5
209.11769	0.8
211.13403	0.4
225.11154	0.4
263.07742	0.7
303.90106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90228	3.1
59.01395	100.0
61.98839	6.8
71.01408	9.4
73.02953	9.1
77.35875	4.6
78.44177	3.4
79.26456	4.0
81.67628	3.6
83.01418	4.0
87.63853	3.6
92.10837	6.1
101.02462	17.2
101.85038	4.5
114.06170	4.7
132.76204	4.3
135.75189	4.5
161.60875	4.2
211.13528	7.4
243.12086	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	709.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78888	19.8
57.28664	17.1
59.01395	100.0
61.98828	34.5
64.85477	17.8
75.47078	18.9
77.12679	18.4
80.44417	18.0
81.38432	18.3
121.02988	22.9
131.40959	19.0
135.04578	24.7
159.86745	17.6
196.32437	17.5
211.13458	38.4
309.65500	18.2
449.06067	20.2
526.04138	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	709.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.7
59.01385	12.3
61.98839	10.9
67.01914	4.2
69.03477	1.0
71.01389	10.7
73.02967	1.9
74.07255	0.9
74.30049	1.0
75.00899	1.2
83.05029	1.3
85.02977	3.8
89.02455	1.3
89.34220	1.0
93.03456	37.2
96.96011	1.3
97.06635	1.1
97.32294	0.9
99.00842	1.0
101.02400	3.8
109.02963	0.8
111.00892	1.5
111.04523	7.2
111.08245	0.8
116.32349	0.9
119.05021	4.3
120.54652	0.9
121.02980	6.7
127.04009	1.3
135.02997	1.3
135.04543	3.4
137.02454	7.6
139.11273	0.9
155.03494	5.3
163.03995	2.1
171.10289	2.0
173.04564	100.0
177.01755	1.1
185.11864	7.4
191.05608	6.0
201.11247	1.5
202.11244	0.8
209.11757	1.8
217.00156	0.9
285.64627	1.1
373.21252	1.6
373.26019	44.6
374.26346	1.2
420.33353	1.2
512.82953	1.0
547.31348	62.0
569.67676	1.2
709.33875	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03452	0.7
59.01386	22.6
59.01684	0.8
61.98833	0.7
67.01888	0.8
67.75454	0.6
71.01379	7.6
72.99320	3.4
73.02946	1.3
75.00871	42.1
83.75632	0.5
85.02965	2.0
87.00894	3.0
89.02438	12.1
92.10019	1.2
93.03457	16.4
96.96013	2.9
99.00896	1.2
101.02472	3.2
103.00415	2.4
108.02180	0.8
109.02924	1.3
111.00842	0.7
111.04549	0.6
113.02460	1.1
115.00411	0.9
117.01942	4.2
117.03474	1.4
119.05026	47.2
121.02965	11.9
123.04530	0.8
131.05002	1.2
133.02971	0.9
135.03008	100.0
137.02470	2.6
137.74580	0.6
143.05037	10.1
145.02980	4.2
145.06621	1.1
155.10794	2.9
161.02432	0.7
161.04507	0.6
163.04030	41.1
165.05624	0.7
171.04498	0.9
173.04546	6.3
177.04039	2.7
189.05743	0.7
191.05640	7.7
199.09807	0.8
211.07701	10.1
212.08084	0.6
221.06259	0.6
223.07677	3.2
227.03548	1.3
235.07703	1.2
237.09271	6.6
239.10735	2.6
255.03046	0.9
265.08731	9.9
281.06750	3.0
283.09805	5.6
284.03314	2.1
285.04187	5.0
309.07724	4.7
327.08807	36.8
399.04602	0.6
445.11496	9.0
547.20490	1.3
563.14160	39.8
593.15381	1.0
682.14648	0.7
709.17322	1.1
709.33496	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	709.322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29033	1.6
59.01386	27.4
61.98835	11.1
69.91006	2.0
71.01380	5.1
75.00880	3.5
83.05051	2.1
84.98283	2.0
85.02961	5.1
89.02431	3.0
93.03461	8.8
99.32355	2.1
101.02446	9.3
104.75895	2.2
112.16253	2.2
115.05852	2.0
117.03439	4.9
119.05051	9.4
121.02962	20.6
135.03021	3.2
135.04532	3.7
137.02446	4.0
145.02982	17.4
163.04025	5.3
163.11302	4.4
171.10320	35.3
173.04547	5.3
183.13786	2.4
183.77304	2.3
191.05618	10.4
209.11879	100.0
211.13423	2.6
227.12907	19.9
247.44556	2.2
253.09317	4.3
338.78711	2.2
435.72894	2.3
445.20541	3.2
487.34409	9.2
617.10516	2.6
670.46942	3.0
709.32007	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90276	0.1
53.63358	0.1
59.01374	1.0
66.45042	0.1
67.01894	0.2
71.01389	0.4
81.03477	0.1
83.05066	0.1
85.02950	6.7
87.00864	1.2
93.03451	3.1
99.00863	0.1
99.04514	0.2
109.02954	0.6
111.04490	1.0
127.03992	1.8
133.02971	1.2
134.03275	0.2
135.04489	1.2
161.02454	1.7
171.03018	0.6
173.04572	1.6
179.03499	0.7
191.05638	100.0
192.05984	0.7
215.05663	0.2
258.78342	0.1
351.07361	0.2
353.08850	11.1
402.14185	0.1
450.10272	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03475	3.0
59.01387	53.3
61.98842	9.2
66.01047	3.0
71.01397	22.3
73.02953	3.3
83.01396	3.4
83.05065	3.7
85.02993	4.3
88.00215	4.8
89.02445	14.9
92.65681	3.3
92.66220	3.7
93.03476	9.0
97.02966	3.9
101.02457	15.7
111.00829	3.8
116.92862	4.6
117.03548	4.9
119.05026	6.3
121.02945	100.0
122.34257	3.3
135.04517	6.3
137.02437	7.3
145.02982	27.2
163.04024	5.5
163.11281	5.0
165.12854	4.2
171.10284	6.2
173.04588	14.9
181.12341	4.5
183.13902	19.0
191.05667	6.9
191.57687	4.0
207.10269	16.6
209.11880	72.9
225.11375	35.6
227.12877	5.2
241.05083	4.8
354.70258	3.6
367.31915	4.8
461.20392	7.2
485.32889	20.3
653.31732	15.2
671.32581	22.6
707.30304	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.1
57.03465	0.2
59.01384	2.8
71.01382	1.9
72.32798	0.1
73.02958	0.3
80.02685	1.3
81.03462	1.1
83.01398	0.3
83.04568	0.3
83.05034	5.0
84.02155	1.5
85.02946	0.6
87.00879	0.4
89.02438	1.7
92.10774	0.2
93.03470	0.3
95.01388	0.2
95.05054	0.7
99.00857	0.2
101.02451	1.9
113.02454	1.3
119.03511	0.7
120.17230	0.1
121.02928	0.2
125.06057	0.3
125.09686	0.2
135.08202	0.4
159.67073	0.2
161.04588	0.4
163.11307	4.5
165.12823	2.8
165.31017	0.2
171.10275	0.9
177.15881	0.2
181.12383	0.7
191.10814	1.5
209.11871	100.0
210.12195	0.9
227.12946	10.3
230.16837	0.2
235.08331	1.2
247.13336	0.2
253.09294	4.2
265.14621	0.2
401.23499	0.2
445.20941	1.8
637.32660	0.6
705.33264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
56.01512	0.3
56.16017	0.3
56.56619	0.3
59.01391	7.5
61.98838	7.7
69.03455	0.4
71.01385	5.5
71.05026	0.3
73.02966	2.0
78.95913	0.5
80.02697	0.7
81.03470	0.7
82.95435	2.3
83.01412	0.7
83.05033	5.6
84.02183	1.6
85.02970	2.2
87.00881	0.8
89.02443	4.2
93.03469	0.6
95.05013	0.4
97.06602	0.6
101.02441	5.1
111.08231	1.4
113.02456	2.3
114.58909	0.4
119.03500	1.5
121.02923	0.8
131.62726	0.4
133.03047	0.6
135.04494	1.4
135.08144	0.7
145.05096	0.5
148.39334	0.3
161.04567	2.3
163.11299	4.3
165.12849	9.2
169.12352	0.7
173.04643	0.5
179.05663	0.5
181.12434	0.9
182.12895	0.4
183.13916	100.0
184.14278	0.4
191.05542	0.5
191.10767	0.8
197.11885	4.8
198.12164	3.0
199.12250	0.4
209.11874	71.8
210.12195	2.5
211.07571	0.4
211.12407	0.5
225.11060	0.4
227.12906	8.9
235.08182	1.6
253.09315	4.6
289.90717	0.4
445.20786	1.5
463.22006	2.3
483.31143	0.5
673.34589	77.5
674.34985	2.5
705.37329	7.6
712.58838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82899	1.7
54.88530	1.7
59.01390	31.8
59.01661	2.6
59.65903	1.6
78.95911	75.9
92.10768	2.1
96.96964	4.2
116.92805	2.8
119.71609	1.9
152.99612	100.0
171.00719	13.9
197.11858	79.4
230.21432	2.0
241.10838	40.8
241.57896	2.1
277.21799	17.8
286.76718	2.0
291.23358	8.8
451.13663	9.9
469.14648	27.5
705.36267	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89167	4.7
59.01386	37.4
61.56892	4.8
61.98827	83.7
61.99067	4.7
70.20712	4.5
71.01405	26.8
71.54078	4.9
78.95908	11.9
79.96448	5.4
80.73623	5.5
85.03004	6.3
89.02494	7.8
96.95979	7.3
97.02933	5.9
109.90936	4.8
114.29353	5.8
114.40437	5.6
121.02984	9.7
123.46381	5.3
133.86488	5.2
152.99602	5.9
171.10284	13.1
197.11937	5.6
209.11909	100.0
223.13416	79.3
225.11377	8.7
227.12950	21.5
321.24292	6.3
333.62704	5.4
341.10880	9.8
430.46338	6.3
459.22495	31.2
467.46796	6.7
651.34045	12.9
669.35077	5.9
705.32336	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.9
56.72885	0.6
57.03440	2.8
58.00602	1.3
59.01107	1.2
59.01390	23.1
60.71809	0.7
61.98832	4.2
66.28175	0.8
67.01891	1.2
69.03472	6.1
71.01383	15.8
71.05029	4.5
72.99323	0.8
73.02955	3.8
74.83708	0.7
75.00871	1.1
78.95871	0.7
81.03446	1.2
81.17518	0.7
83.01384	1.4
83.05038	5.1
84.02161	1.1
85.02943	6.1
87.00878	6.7
89.02441	9.9
93.03461	8.7
95.01426	1.5
95.05003	0.9
96.96006	3.1
97.02965	1.0
97.06581	1.1
101.02442	11.6
109.02956	3.6
109.06603	1.1
111.00916	0.9
111.04505	1.2
113.02450	8.2
116.29601	0.7
116.92854	1.8
119.03463	3.5
119.04940	1.6
121.02965	6.5
122.27852	0.7
123.08164	1.8
125.02464	1.1
125.09742	6.0
127.11243	3.4
135.04507	2.8
137.02438	1.0
139.11258	1.0
145.02954	1.2
150.03212	1.1
151.07614	0.8
151.11282	3.7
153.01898	3.7
155.10788	2.7
159.04395	0.9
159.36852	0.7
161.04518	3.3
161.09721	3.9
163.04018	1.2
163.11290	3.2
165.09161	1.2
165.12788	1.2
169.12349	0.8
171.10341	5.4
172.05246	1.0
173.04549	5.9
177.01935	1.0
179.05673	1.2
179.10814	9.8
187.07564	4.4
191.05679	10.0
197.11868	100.0
198.12048	0.8
199.09695	1.3
201.05724	0.8
201.09523	1.4
201.11369	41.6
209.11890	42.1
211.04068	0.8
211.07689	0.9
215.07156	0.8
223.09782	1.5
225.11272	1.3
227.03448	3.6
227.07036	0.8
227.12805	3.5
229.04919	1.0
231.06573	0.9
241.10796	5.4
253.09399	5.6
255.02989	4.4
257.04547	1.2
257.08313	0.8
284.03165	3.9
285.04117	10.4
303.08087	0.8
387.66324	0.9
463.09341	1.0
477.19669	1.9
513.09619	1.0
633.39856	1.1
645.34717	7.9
661.30743	17.9
669.41388	1.0
687.32477	46.0
705.18616	4.0
705.33130	56.6
726.33093	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73003	9.5
58.15288	10.1
59.01391	58.6
60.71360	9.7
61.98838	84.1
67.09743	10.0
71.01400	23.6
96.96011	42.8
100.61676	11.6
101.02465	14.5
109.06631	18.4
116.92880	13.8
121.02945	45.7
125.09693	12.0
133.02960	12.0
135.04546	13.9
161.02379	11.7
163.11285	22.3
171.10231	10.4
173.04517	11.0
185.11868	20.8
207.10242	88.9
209.11864	50.7
211.07588	16.9
211.13406	14.1
220.74229	10.8
225.11295	56.9
339.05072	13.5
410.52209	12.2
507.33176	21.4
607.27216	21.4
625.28540	52.0
633.29218	21.9
651.30261	100.0
669.31305	73.3
705.29041	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	705.327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	17.3
61.98845	13.1
64.36171	2.5
66.61410	2.7
71.01394	6.7
76.57953	2.8
78.15237	2.8
78.95902	3.9
83.05045	3.5
92.10080	5.7
96.96001	3.4
101.02430	4.1
115.21658	2.9
121.02973	14.7
128.90111	3.9
154.68521	3.2
161.71773	3.1
171.10263	19.2
183.84206	2.9
191.05658	5.7
205.12401	3.6
207.10110	4.3
209.11867	100.0
223.13409	51.2
225.11284	4.4
227.12878	17.6
253.09274	5.7
438.09277	3.3
445.20868	6.3
459.22351	6.0
613.28516	4.4
651.34216	6.8
669.35284	3.5
705.32867	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88799	0.2
56.48387	0.2
57.03491	0.3
58.71681	0.2
59.01400	0.5
67.01917	0.4
68.11125	0.2
71.01389	0.3
85.02958	6.5
87.00877	1.8
92.66039	0.3
93.03454	4.2
96.96020	2.3
105.03486	0.5
106.15945	0.2
109.02924	0.4
111.04536	1.2
114.35110	0.3
121.02973	0.5
127.03997	2.1
130.87721	0.3
132.04553	0.5
133.02975	4.3
135.04541	1.3
144.04565	0.3
145.03004	0.5
145.04053	0.5
157.07707	0.4
158.06166	0.4
161.02505	2.8
163.04033	0.3
171.03033	0.4
173.03339	3.3
173.04662	1.8
177.01915	0.4
181.07669	0.4
183.05652	8.0
191.05641	100.0
192.05946	0.6
215.04659	27.3
225.06705	0.4
239.26068	0.3
243.07759	3.5
287.06778	81.9
288.07126	1.3
329.62473	0.3
337.09357	0.5
351.07352	1.3
353.08829	10.9
353.12973	0.5
466.37531	0.3
510.86465	0.3
513.10211	0.5
540.67688	0.3
592.53339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58028	0.1
58.02983	12.4
59.01383	1.3
60.12274	0.2
61.86266	0.2
69.03466	0.4
70.02622	0.4
70.02979	7.9
71.01376	1.2
72.00903	3.2
72.04546	2.1
74.02473	49.3
75.00883	0.2
85.02946	0.4
87.00879	0.2
88.61988	0.2
89.02441	0.5
93.03471	1.0
98.02476	13.0
110.72990	0.2
116.02695	0.3
116.03549	16.7
116.05061	21.6
116.69934	0.2
121.02959	9.4
130.06596	2.2
135.04526	7.0
137.02449	0.3
142.06648	5.1
156.08110	0.2
157.07831	0.2
158.06061	0.2
159.09286	6.2
161.02452	0.5
163.04007	0.7
173.04526	0.3
174.17084	0.2
183.09302	1.4
186.05624	1.5
191.05635	2.1
199.67480	0.2
201.10379	5.4
203.08293	61.2
204.08553	0.4
245.09344	100.0
246.09656	1.1
289.08368	0.9
327.09241	0.2
415.12567	6.0
513.10504	0.8
561.36475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.1
58.34610	0.1
59.01384	1.1
60.99317	0.3
67.01901	0.7
69.03455	0.1
71.01385	0.9
72.55772	0.1
72.99316	0.1
73.02965	0.1
81.03466	0.1
83.05043	0.3
84.90321	0.1
85.02956	6.9
87.00877	1.7
93.03458	4.8
95.05077	0.1
96.96027	0.3
99.00904	0.1
99.04520	0.5
105.03477	0.7
109.02943	0.8
111.04523	1.1
113.02493	0.1
119.05029	0.7
121.02962	0.2
123.04578	0.1
127.04017	2.2
129.01927	0.1
133.02965	4.5
134.03729	0.1
135.04530	0.8
137.02426	0.4
143.03511	0.1
145.02924	0.1
155.03496	0.3
157.11578	0.1
161.02455	2.7
163.04002	0.7
171.03059	0.5
173.04567	2.6
177.01927	0.8
179.03519	0.6
191.05646	100.0
192.05978	0.6
193.05048	0.1
215.05655	0.3
287.06726	0.1
295.05988	0.1
316.01929	0.1
321.04172	0.6
337.09277	1.6
339.05118	0.4
351.07312	0.9
352.07730	0.1
353.08865	12.8
357.10199	0.1
513.10547	0.4
546.57904	0.1
579.13831	0.1
705.19391	0.4
727.25623	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	705.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35752	0.4
57.03462	0.7
58.92899	0.4
59.01141	0.4
59.01379	3.2
60.99312	0.6
67.01913	1.8
68.15002	0.4
69.03474	0.6
71.01384	12.7
74.35952	0.4
75.00874	0.7
76.50081	0.4
81.03448	0.5
83.05000	0.5
85.02951	8.9
87.00887	6.3
89.68307	0.4
93.03462	22.6
94.03783	0.5
101.02440	0.5
109.02963	1.1
111.04520	4.1
113.02498	0.6
115.00384	5.6
116.74428	0.4
119.05058	5.2
121.02962	56.6
122.03295	0.8
123.03278	0.5
123.04580	0.5
125.72102	0.5
127.03997	2.2
129.01956	0.6
133.02960	0.8
137.02402	0.6
146.03769	0.8
151.04024	1.0
155.03577	2.0
158.65938	0.4
159.04553	0.6
161.02458	1.6
163.04065	4.7
172.52214	0.4
173.04594	14.8
173.06044	0.5
175.07655	3.3
176.04715	0.7
177.09238	2.0
185.02238	1.5
187.07623	3.8
190.06319	0.5
191.05646	100.0
192.06064	0.9
195.68428	0.4
201.09056	0.7
202.06357	3.1
203.07124	0.7
203.10934	0.5
205.08723	1.7
211.07677	3.9
213.09235	0.9
215.06960	0.4
219.10263	1.8
231.10391	4.1
237.04050	4.3
249.11281	3.3
251.14346	0.4
257.08163	0.9
265.04941	0.4
275.09250	1.7
327.08786	0.6
331.67441	0.5
339.04895	1.5
345.24738	0.4
349.06937	0.7
357.09906	1.9
370.25986	0.5
395.56888	0.5
437.14590	2.8
449.14572	7.8
467.09674	5.1
467.15646	42.6
488.39798	0.5
497.25546	0.5
513.10614	2.5
558.52771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41914	0.3
57.03449	0.6
59.01380	1.5
60.99317	2.4
67.01894	7.0
69.03471	0.7
71.01385	2.0
73.02937	0.7
77.03964	0.9
78.71195	0.4
81.03452	1.4
83.05036	1.8
85.02955	7.1
85.27623	0.3
87.00880	10.7
89.03967	0.8
91.05528	0.8
93.03456	44.0
95.05022	4.1
99.04530	0.7
104.80241	0.4
105.03465	10.5
107.05042	3.8
109.02968	10.0
111.04530	8.9
115.04053	0.5
117.03451	0.5
122.03632	0.4
123.04534	2.3
127.04000	2.1
129.01962	1.0
133.02963	85.1
133.08690	0.4
134.03564	0.5
135.04529	27.2
137.02437	1.6
149.02449	0.4
150.03229	2.6
151.04028	1.7
155.03488	1.6
161.02435	3.7
173.04568	28.8
175.07599	0.5
177.01945	20.3
179.03506	8.0
179.15422	0.4
191.05646	100.0
208.98869	0.4
215.05661	30.9
229.01553	0.6
293.04819	0.5
295.06030	0.5
307.08316	4.0
321.04077	0.6
339.05032	0.6
351.07285	74.6
352.07639	0.8
353.08829	6.9
370.83890	0.5
439.05756	0.5
513.10358	0.7
564.92969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.1
58.34610	0.1
59.01384	1.1
60.99317	0.3
67.01901	0.7
69.03455	0.1
71.01385	0.9
72.55772	0.1
72.99316	0.1
73.02965	0.1
81.03466	0.1
83.05043	0.3
84.90321	0.1
85.02956	6.9
87.00877	1.7
93.03458	4.8
95.05077	0.1
96.96027	0.3
99.00904	0.1
99.04520	0.5
105.03477	0.7
109.02943	0.8
111.04523	1.1
113.02493	0.1
119.05029	0.7
121.02962	0.2
123.04578	0.1
127.04017	2.2
129.01927	0.1
133.02965	4.5
134.03729	0.1
135.04530	0.8
137.02426	0.4
143.03511	0.1
145.02924	0.1
155.03496	0.3
157.11578	0.1
161.02455	2.7
163.04002	0.7
171.03059	0.5
173.04567	2.6
177.01927	0.8
179.03519	0.6
191.05646	100.0
192.05978	0.6
193.05048	0.1
215.05655	0.3
287.06726	0.1
295.05988	0.1
316.01929	0.1
321.04172	0.6
337.09277	1.6
339.05118	0.4
351.07312	0.9
352.07730	0.1
353.08865	12.8
357.10199	0.1
513.10547	0.4
546.57904	0.1
579.13831	0.1
705.19391	0.4
727.25623	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	703.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	100.0
69.47018	57.4
106.64798	60.2
175.53319	60.9
220.41685	62.2
370.61871	67.1
702.23804	80.0
703.38354	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70552	19.3
53.97220	25.8
56.73450	24.8
58.55035	21.7
61.98840	27.3
81.61671	25.0
90.27395	25.4
92.10134	100.0
100.55066	25.0
104.52518	23.5
152.99567	29.1
164.66960	30.3
501.97925	27.2
636.99170	30.1
642.06683	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	704.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	24.1
60.01723	1.8
61.01819	0.5
61.98837	100.0
83.11257	0.3
89.98801	0.3
97.80565	0.3
98.09711	0.3
99.92831	0.3
150.06799	0.2
167.37411	0.3
185.84081	0.3
187.34296	0.3
199.96678	0.3
210.71497	0.3
218.76166	0.3
227.31105	0.3
289.78528	0.3
440.13211	0.6
441.14017	0.6
454.14816	0.4
482.15430	1.7
483.15375	4.5
484.15683	6.4
485.14886	0.3
497.17038	1.9
498.17261	3.3
499.19296	0.4
500.18625	0.6
517.15448	0.6
525.15070	0.3
541.16406	0.4
542.16766	1.5
543.16895	1.2
556.19104	1.5
557.19196	5.3
558.19373	9.6
573.15686	0.4
574.15948	2.4
575.15778	3.9
588.17651	0.5
589.17468	2.2
643.22754	2.2
644.22876	6.0
703.25122	4.3
704.25000	19.0
707.42499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79095	0.7
54.00555	0.7
54.56281	0.6
55.37125	0.6
55.90392	0.8
56.80924	0.7
57.03468	1.2
59.01386	16.9
59.01656	1.0
61.98840	6.6
71.01377	7.2
71.05040	0.9
71.09408	0.7
72.99297	0.8
73.02947	1.3
75.00893	1.1
81.03461	1.7
83.01420	1.6
83.05039	7.4
84.02209	0.9
85.02969	1.6
87.00912	1.3
89.02456	6.3
92.10108	2.3
93.03460	1.8
95.05029	1.4
97.02973	5.6
97.06551	1.1
99.00876	3.1
101.02462	6.5
102.52206	0.9
105.26868	0.9
109.05971	1.2
109.06612	13.2
110.60954	0.8
111.04518	1.1
113.02467	4.2
119.03510	1.1
121.03004	4.0
123.04470	1.0
125.09733	5.8
135.08138	1.8
142.02739	1.3
149.65347	0.9
161.09634	1.0
163.11328	12.9
165.12892	3.4
171.10344	1.0
181.12415	9.5
185.11887	1.4
191.10747	1.1
197.11864	11.4
207.10309	44.9
209.11871	100.0
210.12175	1.2
225.11389	33.6
227.12907	10.4
235.08253	1.3
253.09265	5.7
257.13947	3.5
376.27814	1.4
377.28192	1.0
399.21820	1.2
417.22845	1.6
443.19797	1.4
461.20465	8.1
481.28201	5.7
635.30786	5.8
653.32013	12.2
671.32953	13.6
703.36365	1.7
724.28015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82740	7.1
58.66179	5.8
58.92825	6.0
59.01398	38.1
61.98843	38.9
70.85764	6.1
71.01386	32.7
80.23594	7.0
85.02940	10.0
89.02497	8.1
92.10830	11.9
93.03484	8.8
109.06672	7.6
121.02949	100.0
126.90408	14.0
135.04491	8.3
141.92686	6.7
164.93597	8.4
171.10236	9.0
191.05600	16.2
197.11816	26.1
201.11409	50.9
207.10291	9.0
209.11839	41.9
211.13570	11.6
223.13345	8.3
225.11195	11.2
229.13689	8.3
240.40498	6.8
378.53055	7.6
399.23859	10.1
422.14487	8.1
440.18750	9.0
449.97687	8.0
509.62738	7.6
545.29688	62.5
667.34027	16.3
671.32141	10.2
674.00812	8.7
703.31689	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	80.2
59.01614	5.0
61.98832	78.0
67.45589	5.2
69.03467	8.0
71.01394	41.1
74.10783	5.1
77.45622	5.5
85.02988	11.0
87.00894	7.9
89.02454	25.7
101.02485	13.4
113.02468	11.2
119.03528	7.4
121.02955	100.0
145.02899	7.9
173.04572	7.4
179.05690	8.2
179.10770	11.8
183.13974	7.1
191.05670	8.5
197.11853	52.4
207.10439	6.6
209.11862	96.7
210.12218	34.6
211.13478	11.1
219.68817	6.2
225.11229	7.6
227.13103	17.8
319.22803	43.8
365.50394	6.5
529.20905	7.9
545.29681	40.0
609.26904	6.8
671.32397	13.9
703.32684	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	703.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21475	0.2
57.03466	0.3
57.96892	0.3
59.01397	2.5
59.50465	0.2
60.46397	0.2
60.99322	19.2
62.56025	0.2
71.01405	1.0
71.40732	0.3
75.00904	0.2
79.70316	0.2
79.96362	0.2
85.02969	1.2
87.00909	0.3
88.98815	100.0
89.02443	0.6
92.10168	0.6
93.03468	0.6
97.02950	0.3
101.02423	0.5
102.85147	0.3
108.02189	3.4
109.02997	2.8
110.10860	0.3
113.02473	0.5
117.03481	1.4
119.05032	0.5
121.02939	0.6
123.00884	0.3
124.01659	1.0
125.02495	2.3
135.04552	1.1
137.02448	1.0
139.00319	0.3
145.02960	3.6
149.99562	1.2
151.03946	0.3
152.01167	5.6
153.01967	2.2
163.04004	0.4
165.12856	1.2
168.00653	2.3
169.01453	0.3
173.04521	0.6
183.61574	0.3
191.05649	2.1
193.15959	0.3
195.10243	0.5
204.34579	0.3
209.11876	0.4
216.23116	0.3
236.09189	0.2
405.24896	0.4
525.20056	0.5
540.45673	0.3
703.21936	1.0
703.33496	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	703.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56353	0.2
57.26590	0.2
57.72021	0.2
59.01388	66.7
79.53359	0.3
93.03484	1.1
109.02967	0.4
120.87341	0.3
121.02949	7.7
122.03757	2.0
132.02173	0.5
133.02937	0.3
135.04565	0.3
137.02487	0.3
137.85255	0.2
147.04536	0.4
149.02458	65.2
150.03242	19.6
151.58914	0.3
153.01938	0.3
164.04808	15.0
165.05574	20.6
166.06360	4.8
167.07150	3.6
168.00644	0.4
173.04512	0.3
180.04283	1.7
181.08690	1.8
191.05725	0.3
195.06644	11.2
196.06976	0.3
270.08853	0.3
283.09827	3.2
285.04263	0.3
285.11411	0.4
314.11676	30.4
315.11963	0.4
329.14011	100.0
330.14420	1.6
359.15378	0.4
377.16138	36.4
395.51385	0.3
399.46915	0.2
433.16580	2.5
723.92560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4494
Annotation	Kulomo'opunalide-2
Peak:m/z	Relative Intensity
59.01395	4.6
64.35300	1.1
68.25936	0.9
71.01370	1.6
85.02951	1.3
101.02466	2.4
165.12857	4.3
183.13916	48.2
205.89018	1.1
227.12961	2.1
255.23335	100.0
283.27582	1.1
388.34192	1.1
516.49945	1.6
701.45001	58.7
702.45245	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62877	0.2
58.02987	9.9
58.03279	0.4
59.01385	2.0
70.02982	7.6
71.01389	1.0
72.00916	2.9
72.04554	2.0
73.02950	0.2
74.02477	46.4
75.00869	0.4
84.00911	0.2
84.04566	0.3
85.02970	0.4
89.02448	0.3
90.72555	0.2
92.10135	0.3
92.65516	0.2
93.03462	0.8
98.02476	13.0
100.00416	0.2
101.02440	0.2
107.26502	0.2
116.02691	0.4
116.03545	17.4
116.05055	21.6
121.02954	1.5
124.64153	0.2
130.06616	3.1
130.98418	0.2
134.51624	0.2
135.04492	0.2
137.02361	0.3
142.06630	5.8
147.04559	0.4
158.96672	0.2
159.09296	5.5
165.05609	0.3
173.04594	0.2
183.09297	1.6
186.05681	1.8
191.05692	2.0
192.05972	0.2
201.10391	4.4
203.08296	59.6
204.08609	0.5
207.06639	0.3
245.09338	100.0
246.09738	1.6
263.03583	0.5
264.03882	0.5
287.20535	0.3
289.08405	1.1
335.01999	1.3
336.02448	1.6
530.30304	0.3
702.39917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47463	1.3
53.91134	1.5
54.96702	1.3
55.94777	1.7
58.54206	1.8
59.01385	21.5
61.98820	1.9
67.00929	1.4
69.03472	11.6
71.01377	12.0
71.05035	1.6
83.05040	8.9
85.02943	2.2
89.02481	3.1
95.05047	2.7
96.26391	1.7
97.02986	8.4
101.02451	9.4
109.06571	2.4
113.02466	3.9
121.02960	9.6
123.08204	2.3
125.09750	8.9
135.08163	2.1
136.05351	3.6
149.06075	7.8
150.06871	31.7
161.04523	2.0
161.09724	3.0
163.07625	11.8
163.11250	7.4
164.08447	2.0
179.10796	47.0
185.11853	2.4
197.11867	17.2
205.08728	4.2
207.10352	3.6
209.11870	100.0
211.13394	2.9
223.09816	46.6
225.11380	9.1
227.12944	12.6
235.08266	2.4
253.09384	2.9
253.50105	1.9
255.12442	8.8
263.03165	2.0
331.21097	1.9
371.22195	2.0
372.19955	1.9
389.23392	2.2
459.18634	21.5
464.35178	11.0
478.36798	11.3
479.37476	57.6
641.43481	3.2
651.30212	16.2
669.31555	33.0
683.19122	2.5
701.28381	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	3.0
57.03467	3.3
59.01394	46.1
64.10687	0.5
67.83238	0.6
69.03490	0.7
71.01397	34.3
71.01778	1.3
72.99332	1.6
73.02954	5.1
75.00896	4.5
83.01421	4.2
85.02975	14.2
87.00906	1.6
87.04520	0.7
88.01209	0.7
89.02458	25.2
93.03453	4.8
95.01420	4.4
96.96019	1.6
97.02973	1.1
99.00882	5.5
101.02457	22.3
108.02209	1.5
109.03005	2.5
109.22985	0.7
111.00954	0.9
113.02460	12.7
116.84262	0.7
119.03529	8.1
119.05043	4.0
121.02966	61.7
122.03259	1.0
125.02493	1.3
129.01982	1.1
131.03542	1.1
135.03029	1.4
135.04541	8.8
137.02431	1.5
138.78970	0.6
143.03560	1.1
149.06084	0.7
152.01123	1.5
153.01895	0.9
159.02950	0.9
161.02509	2.9
161.04564	5.9
163.04039	2.9
165.05568	0.9
165.12863	1.4
173.04544	1.5
177.04092	0.8
179.03470	0.8
179.05653	2.9
179.45288	0.7
183.13910	1.2
191.05667	8.7
193.05095	0.8
201.11369	0.9
203.12941	0.8
227.12953	1.1
287.13617	0.7
369.11908	2.6
417.25040	8.0
536.23779	0.9
537.32806	3.6
578.29712	0.8
579.30359	100.0
580.30640	1.4
701.28497	1.4
701.39093	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31778	0.8
51.81880	0.8
54.91063	0.9
57.03447	1.3
59.01385	14.8
61.98829	3.6
61.99134	1.0
69.03452	4.6
71.01376	9.6
71.05012	2.2
73.02951	1.9
75.00881	0.9
83.05000	1.4
85.02962	2.2
85.72852	0.9
87.00886	1.3
89.02444	5.5
93.03456	1.4
96.50476	1.1
101.02433	7.2
107.10152	0.9
113.02478	1.9
117.03477	2.0
119.04952	1.1
121.02155	1.3
121.02959	18.5
123.04536	1.5
123.08167	1.5
125.09745	2.3
135.04546	1.3
145.02937	3.8
146.03404	1.2
147.04510	1.1
151.11281	1.5
153.12865	2.0
161.04573	1.1
161.09708	1.9
171.10315	1.5
173.04579	1.5
179.10786	8.4
182.48096	0.9
189.01938	1.9
191.05627	1.2
197.11862	100.0
199.95044	1.0
209.11751	5.7
237.98833	1.0
241.10802	6.3
253.09264	1.7
341.06821	3.7
369.98230	1.4
503.30371	5.7
513.75452	1.0
519.32062	1.6
657.31219	4.0
701.30188	85.3
702.30786	1.5
728.94055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
82.19179	1.3
90.67496	1.4
95.18051	1.4
98.00104	1.4
105.61662	1.4
193.41707	1.5
271.04532	1.3
438.13339	8.8
452.15259	2.2
480.14117	1.6
481.15289	74.2
482.15695	5.5
495.17062	21.9
497.18460	2.8
514.15192	2.5
539.15466	2.5
540.16583	12.8
553.17377	2.2
555.19025	77.3
567.19000	3.4
572.15649	38.6
586.17358	8.7
641.22797	51.1
641.38452	6.9
654.74829	1.4
701.24835	83.8
701.34125	3.4
702.25543	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	30.5
61.98832	35.1
69.03498	4.8
71.01406	7.0
72.84885	2.8
85.02991	5.7
87.85286	2.9
89.02476	4.2
93.03482	12.2
99.00866	4.4
101.02445	6.9
113.02463	4.0
121.02960	100.0
150.06877	3.8
163.11243	4.1
167.39220	3.1
173.04715	3.9
179.10678	11.0
197.11868	7.8
207.10315	3.6
207.82463	3.4
209.11873	83.7
223.09761	7.2
225.11253	7.5
227.12988	14.6
237.14981	36.5
237.94977	3.4
245.25557	3.2
253.09361	5.0
271.96646	3.7
479.37076	4.8
543.28217	52.2
651.30322	7.4
665.31866	4.9
669.31506	13.5
701.28455	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	701.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12755	1.2
59.01386	100.0
64.40089	0.9
65.99264	0.9
67.21648	1.1
81.36227	1.0
81.58938	1.0
89.82965	1.0
95.26535	1.3
112.82808	1.0
122.10654	1.1
183.86636	1.2
193.06827	1.1
242.94167	1.2
264.27814	1.1
425.93607	1.2
437.12479	1.5
438.13376	8.4
452.14984	2.2
470.69650	1.3
481.15247	45.9
482.15802	2.0
495.16788	17.2
497.18176	4.9
514.14996	2.0
523.16827	1.3
539.15405	2.1
540.16583	12.0
554.17987	1.7
555.19025	55.6
556.19360	2.5
572.15540	23.3
586.17310	6.7
641.22815	29.7
701.24750	83.9
702.25012	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.1
63.40263	0.2
71.01386	16.1
85.02979	0.5
87.00871	0.2
89.02483	0.3
93.03439	0.3
101.02426	0.2
107.01394	0.4
108.02197	0.2
109.02955	0.8
115.00381	8.7
116.18749	0.2
119.15522	0.2
121.02962	100.0
135.66597	0.2
143.04999	0.3
147.04523	0.3
148.01726	0.3
151.00394	2.9
163.00392	0.3
165.05449	0.2
178.99889	0.9
191.05635	1.0
226.02754	0.4
227.03569	0.5
237.04089	13.8
240.87933	0.2
243.03008	2.9
245.04427	0.3
249.08031	0.4
253.08768	0.5
254.02281	0.3
255.03021	6.6
271.02536	14.8
272.03168	0.4
283.02585	0.3
300.02808	27.8
301.03577	9.0
301.06219	0.2
358.23346	0.2
376.25961	0.2
427.81628	0.2
463.08969	22.4
600.44989	0.3
677.40094	0.2
701.40283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82894	0.1
55.66912	0.1
59.01388	0.1
64.20580	0.1
71.01386	16.8
75.00918	0.1
77.04024	0.1
77.80106	0.1
87.84596	0.1
88.40810	0.1
93.03478	0.5
114.99548	0.1
115.00388	8.8
121.02966	100.0
122.03316	0.9
137.02478	0.6
206.93484	0.1
215.45000	0.1
237.04091	12.7
246.52538	0.1
413.83774	0.1
633.01331	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	701.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53912	0.3
52.54190	0.2
53.36286	0.3
55.01887	1.3
56.35310	0.3
57.03453	7.6
59.01385	9.8
69.03432	0.4
71.01385	12.1
72.99301	3.5
75.00871	21.4
83.01414	0.7
83.24463	0.3
84.02171	0.6
85.02952	15.0
87.00877	9.7
88.61723	0.3
89.02454	4.9
89.24236	0.3
92.10737	0.7
97.02937	0.8
99.00886	7.0
101.02456	2.2
103.80846	0.3
111.00899	0.4
120.90910	0.4
121.02956	100.0
122.03315	0.5
129.01944	14.4
133.10555	0.4
135.04538	5.0
141.01950	0.5
155.10782	0.6
159.02985	1.8
163.04103	0.4
177.04066	84.3
178.04285	0.5
191.05681	0.4
281.06732	0.6
299.07773	95.4
300.08051	1.7
401.11218	0.5
422.15732	0.4
701.25006	0.5
708.53259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82604	3.6
56.90709	3.7
59.01386	62.0
61.98845	20.8
62.76267	3.0
63.39437	3.2
71.01389	26.8
73.02941	5.4
76.77339	3.8
83.05040	9.5
85.02951	5.2
87.00877	7.0
89.02461	17.8
91.13246	3.9
93.03494	5.6
101.02454	9.0
109.06625	5.4
111.08189	4.9
112.12469	4.1
113.02493	5.3
114.38702	4.6
120.97262	4.7
121.02955	36.0
125.09735	20.8
161.04546	4.4
171.10304	64.0
176.73615	4.4
179.10687	3.7
181.56444	4.4
185.11743	4.3
191.05728	4.2
197.11940	8.0
205.16109	4.8
209.11752	4.0
211.13385	19.2
215.14612	12.3
225.11378	8.3
233.15565	40.1
249.14940	18.2
277.67224	4.5
341.24725	7.6
373.25784	17.9
385.23871	27.8
403.25076	34.6
437.95251	4.5
621.32861	100.0
639.33893	94.6
672.33691	5.4
728.05835	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	701.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82906	0.2
55.83128	0.2
56.80155	0.3
59.01389	2.3
63.38049	0.3
65.00356	0.3
71.01385	16.8
71.01783	0.6
73.02959	0.3
77.88254	0.3
83.01382	0.5
85.02957	0.3
87.00941	0.4
89.90088	0.3
93.03454	0.5
104.45969	0.3
107.01409	0.7
109.02942	0.7
115.00375	8.7
119.05093	0.3
121.02951	100.0
135.04553	0.4
137.02469	0.3
148.01617	0.4
151.00406	4.1
152.01088	0.3
163.00360	0.7
178.99872	1.9
187.03908	0.4
191.05634	2.0
208.47386	0.3
227.03510	0.7
237.04076	13.2
243.02980	3.6
245.04384	0.4
254.02271	0.4
255.03026	9.9
271.02509	21.0
272.03210	0.7
300.02798	39.9
301.03589	15.5
307.97272	0.3
463.08908	34.4
464.08929	0.5
473.84760	0.4
604.55609	0.4
654.31549	0.4
665.31494	0.4
700.34784	0.4
701.39001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34018	0.3
57.03452	1.9
59.01391	11.0
59.01661	0.8
65.18373	0.4
71.01382	4.7
72.52091	0.4
72.99317	0.9
73.02944	0.6
75.00890	0.8
75.63722	0.4
83.01388	0.6
85.02960	43.4
87.00863	0.7
89.02444	3.6
93.03448	2.1
99.00877	0.5
101.02448	36.0
107.05074	0.5
109.02980	0.8
113.02454	1.8
116.92907	0.6
119.03506	0.5
119.05010	0.7
121.02957	91.8
122.03304	0.5
125.02587	0.5
129.01945	100.0
135.00887	0.5
135.04510	0.7
137.02448	0.7
147.04543	5.1
151.00371	0.7
153.01953	0.5
163.03992	0.6
165.05602	5.0
173.04581	0.7
177.03929	0.6
178.99883	0.5
183.13911	0.8
186.82806	0.4
187.03975	0.5
191.05716	3.1
207.06664	1.7
211.03889	0.6
227.03535	29.3
227.12875	0.5
229.05048	0.6
251.05615	29.6
255.00911	0.7
255.03015	35.7
256.03720	2.3
284.03290	39.2
285.04037	8.4
447.09406	39.8
448.09607	0.6
457.58844	0.5
537.32642	0.5
551.30396	0.9
699.38391	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	699.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01221	47.8
55.71071	43.8
57.93689	54.3
61.35932	59.4
61.98849	100.0
68.51345	52.3
82.69572	51.4
142.51863	55.8
245.19847	58.3
298.30258	57.5
392.01297	66.6
504.67874	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
58.00607	0.3
59.01387	21.6
59.27228	0.2
63.22020	0.3
71.01387	9.7
72.99316	0.5
73.02962	0.6
83.01392	1.1
84.47022	0.2
85.02959	1.9
85.06595	9.5
85.27530	0.3
87.00875	0.7
89.02445	14.7
91.74521	0.3
95.01405	1.1
96.96070	0.4
97.06071	0.3
101.02448	9.2
110.40318	0.3
113.02458	5.5
113.06110	2.4
115.07653	1.2
117.71689	0.3
119.03493	5.4
121.02974	0.6
127.07671	1.1
131.07146	47.8
149.04655	0.3
173.08148	0.5
179.05595	0.5
191.05664	0.6
203.84894	0.3
224.48460	0.3
293.12479	100.0
294.13010	1.3
321.65961	0.3
367.56293	0.3
457.25485	0.3
622.44196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.73235	0.7
73.41884	0.6
80.62045	0.6
121.02968	1.7
145.02965	1.6
164.32889	0.7
166.36110	0.7
257.97723	0.7
258.04221	0.8
362.38284	0.8
500.10953	0.8
575.13715	0.8
618.40057	0.8
619.39160	1.3
620.40082	1.2
663.38922	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80399	0.6
55.15223	0.7
57.85963	0.7
60.86502	0.8
61.98843	100.0
64.61893	0.8
78.27718	0.8
79.76664	0.8
89.40446	0.9
92.66107	1.0
93.03430	0.9
119.05035	1.0
121.02927	1.3
191.05630	0.9
191.50002	0.8
294.34412	1.0
328.95319	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03943	0.3
61.98836	100.0
75.17105	0.3
95.31702	0.3
96.95988	0.3
99.78161	0.4
104.32143	0.4
117.03424	0.3
119.05016	0.7
121.02943	1.6
145.02943	1.4
146.03326	0.4
163.44989	0.3
213.07083	0.3
620.40228	1.4
637.39880	0.6
638.40454	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	698.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38308	0.2
51.45923	0.3
51.71472	0.3
54.22330	0.3
58.02982	19.3
59.01384	1.4
61.96447	0.3
67.01907	0.4
70.02981	7.2
71.01386	0.6
72.00909	3.5
88.12917	0.3
91.05530	9.2
93.03463	2.7
93.10397	0.3
96.96001	2.1
111.34491	0.4
113.02464	0.3
119.05045	0.5
121.02957	4.0
122.03268	0.4
135.04532	1.9
137.02438	0.3
138.57852	0.3
146.06117	0.4
147.04543	33.3
162.09270	0.8
164.07190	88.0
165.07562	0.5
173.04562	9.2
174.04886	2.5
191.05444	0.5
201.06808	0.4
206.08250	100.0
207.08568	1.3
234.99988	0.4
250.07237	1.7
287.57605	0.4
295.08255	2.1
296.08551	0.5
327.08957	0.5
378.85324	0.4
380.24765	0.4
462.44611	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58745	0.9
53.16568	0.9
54.82830	1.1
59.01383	5.3
61.98834	100.0
78.58797	1.4
85.41926	1.2
134.89468	5.8
150.07675	1.2
167.46761	1.2
210.15805	1.4
299.03848	1.3
578.77386	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.41
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98849	79.0
63.47253	4.9
81.34913	6.9
84.88023	5.2
100.32623	5.2
118.87617	5.6
161.02458	8.8
287.11743	5.8
446.60535	6.6
634.39087	9.3
697.41168	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	698.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32291	0.1
59.01396	0.2
61.98843	32.6
62.48540	0.1
63.02421	0.3
63.17044	0.2
64.35141	0.2
65.00343	0.2
67.20056	0.2
71.01388	0.3
77.29025	0.2
83.01415	0.2
85.03008	0.2
88.86794	0.2
93.03472	3.4
100.95298	0.2
107.01398	2.1
109.02959	0.9
117.03487	0.4
119.05049	0.4
121.02970	1.0
131.05005	0.3
135.00897	1.3
137.02443	0.4
141.07114	0.4
143.05048	1.4
145.02907	0.3
151.00307	0.3
153.01971	0.3
155.05037	0.3
157.06638	1.1
159.04509	1.6
163.00380	3.4
164.01073	0.2
165.01976	0.3
167.05052	0.5
168.05447	0.2
169.06613	1.1
171.04482	1.4
182.03787	0.3
183.04501	0.3
184.30112	0.2
185.06100	4.0
187.04012	4.6
187.05547	0.3
189.03983	0.2
189.05568	1.9
190.25494	0.2
191.05649	0.3
191.76588	0.2
195.04601	0.9
197.06111	1.2
199.04068	0.8
201.05591	1.1
207.24019	0.2
211.04112	2.4
211.07672	0.2
213.05563	2.7
215.03520	0.3
223.03986	0.3
227.01291	0.3
227.03548	9.5
227.05687	0.4
229.05087	16.4
230.05501	0.2
239.03506	2.3
240.04274	1.2
241.05101	2.1
243.02814	0.3
255.03032	10.5
255.05716	0.4
256.03815	1.4
257.04611	9.8
267.02939	1.8
284.03293	7.1
285.04089	100.0
286.04514	1.4
539.88544	0.2
593.15179	0.4
601.27692	0.2
628.19391	0.3
635.16315	43.3
636.16779	0.9
722.24158	0.3
727.89648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26006	10.4
59.01394	76.9
61.74350	11.7
61.98852	90.7
64.45821	11.5
69.52477	13.5
88.80993	13.1
99.44575	15.0
101.02462	16.0
112.79707	15.0
121.02925	29.2
136.01738	20.5
145.03012	13.6
151.04071	18.6
200.24821	12.7
201.95760	14.7
241.71907	12.8
263.20203	74.2
397.13559	100.0
415.14651	26.6
487.34747	23.0
665.19934	14.3
697.32263	55.0
703.80164	15.5
726.05670	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	697.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41367	0.3
59.01387	2.0
71.01384	2.5
73.02944	0.8
81.03458	0.7
83.01431	0.5
85.02962	3.1
87.00895	1.5
89.02415	0.4
93.03473	1.3
95.01400	1.4
96.96018	0.7
99.26154	0.3
101.02442	1.9
108.02186	86.5
109.02972	29.4
113.02478	1.5
116.05056	0.4
121.02943	0.9
123.00877	0.7
132.04550	1.3
133.02933	2.6
135.04510	0.8
144.04541	3.5
145.04971	0.5
151.02687	0.6
151.04034	1.9
152.01173	77.1
153.01953	25.3
153.02922	0.5
154.06592	0.5
156.06958	0.7
157.07759	0.8
160.04045	1.5
163.04042	2.4
165.01907	2.0
167.06213	0.8
169.07767	0.6
171.09315	1.8
173.07179	1.7
180.22108	0.3
181.05165	0.4
181.07739	9.8
191.05647	3.2
197.07242	0.7
199.08806	6.5
201.06708	0.8
243.07768	5.1
261.08841	10.7
279.84045	0.3
308.19348	0.4
315.07297	100.0
316.07620	1.8
351.07236	1.6
381.13116	17.1
401.10950	0.6
728.60498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	1.0
59.01398	2.3
67.01900	4.2
71.01392	4.6
81.03439	0.6
83.05034	0.7
85.02990	0.7
89.02485	0.6
93.03451	22.7
111.00883	0.7
111.04549	5.6
119.05034	5.7
121.02950	22.7
133.01395	0.8
137.02463	3.9
149.00743	0.8
155.03488	5.0
163.04047	8.7
173.04570	100.0
188.92647	0.6
191.05702	1.0
256.39606	0.6
283.88290	0.6
295.08279	23.8
401.10654	1.2
448.43738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65085	1.0
57.03473	1.2
59.01390	17.9
61.98843	11.3
71.01392	8.6
73.02962	2.7
75.00894	1.3
81.70980	1.1
83.01398	1.5
83.05042	2.8
85.02985	6.0
87.00890	1.5
89.02464	1.6
91.88696	1.1
93.03465	6.1
95.01386	2.5
96.96054	1.8
101.02473	7.0
101.66207	1.3
105.04126	1.3
108.02178	49.8
109.02965	40.4
113.02446	5.2
116.92892	8.8
117.03472	46.4
117.04282	2.4
119.05055	7.2
121.02959	28.2
123.00924	1.9
123.04552	2.2
125.02493	2.0
127.04081	2.9
133.02943	2.7
134.03769	1.4
135.02986	1.5
135.04576	6.9
137.02487	6.1
139.07625	1.5
145.02968	100.0
150.03250	5.1
151.00359	1.2
152.01170	59.1
153.01967	27.1
157.08760	1.9
159.04521	1.5
160.01688	2.5
161.02467	6.1
163.04060	7.4
165.05580	2.9
171.39612	1.2
173.04570	5.8
177.01926	8.8
187.09961	1.5
191.05646	7.8
201.11363	20.4
205.05057	2.2
209.11932	2.2
227.03540	6.6
229.05074	4.9
255.03085	4.7
267.15631	1.4
284.03360	8.1
285.04120	30.1
319.22043	1.7
431.13776	1.7
455.16159	1.6
499.18396	20.8
499.29044	6.0
575.14410	1.9
661.36188	1.4
697.19177	9.5
697.30695	58.9
721.70917	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	697.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82124	0.1
59.01388	7.9
61.98840	0.5
62.08721	0.1
69.03484	0.1
71.01389	0.6
72.99325	0.1
73.02956	0.5
75.24227	0.1
75.66846	0.1
81.03472	0.1
83.01383	0.2
83.05039	0.2
85.02957	0.4
85.15862	0.1
87.00879	0.3
89.02457	0.4
89.03987	0.3
93.03457	0.1
97.02942	0.2
98.53589	0.1
99.00890	0.1
101.02451	0.5
108.02193	0.5
109.02966	0.3
113.02477	0.4
117.03481	43.0
118.03822	0.3
119.03593	0.1
119.05029	1.2
121.02969	1.5
123.04522	0.1
125.02469	0.6
127.04018	0.4
135.04526	0.1
137.02377	0.1
139.07610	0.1
143.03517	0.2
145.02977	100.0
146.03311	0.7
152.01173	0.5
153.01950	0.1
153.05470	0.1
156.05801	0.1
163.04065	1.1
173.04662	0.2
177.01947	0.2
185.04593	0.2
185.06006	0.1
191.05615	0.2
210.08086	0.1
212.13823	0.1
229.05042	0.1
277.07108	0.1
285.04340	0.1
305.08713	0.1
323.09979	0.1
331.08331	0.1
365.10907	0.1
391.10211	0.3
407.12048	0.4
449.13153	0.3
553.16211	0.1
568.59528	0.1
577.15924	0.3
595.16760	1.0
613.18250	0.2
617.39764	0.1
637.17969	2.4
655.18951	1.1
661.38422	0.5
697.20050	3.2
697.31458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82548	0.2
59.01389	11.6
63.88790	0.2
71.01396	0.5
71.47301	0.2
72.36401	0.3
76.57545	0.3
78.85625	0.3
80.17763	0.3
93.03461	0.6
101.02457	0.7
105.14941	0.3
113.02399	0.3
117.03476	42.3
119.05016	0.4
121.02943	1.3
137.02443	0.6
145.02971	100.0
146.03317	0.7
163.04066	0.3
198.73579	0.3
213.15038	0.3
271.97064	0.3
393.13391	0.3
426.35492	0.3
447.13751	0.3
449.13229	0.6
585.70258	0.4
595.16583	0.5
637.17834	1.4
697.20123	1.9
725.40918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94584	0.1
59.01387	9.9
85.02962	0.2
87.00886	0.2
89.03996	0.2
92.10128	0.3
117.03471	37.6
118.94027	0.2
119.05024	0.2
124.87984	0.1
145.02966	100.0
146.03287	0.3
153.00598	0.2
163.04068	0.2
215.38051	0.2
305.08627	0.2
407.11993	0.7
440.67035	0.2
449.13251	1.4
479.00372	0.2
595.16943	0.2
637.17767	1.0
640.65179	0.2
655.19690	0.2
697.20038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27536	0.1
59.01388	10.5
64.24868	0.1
69.58003	0.2
71.01373	0.2
72.27140	0.1
73.02931	0.3
81.81587	0.2
85.02936	0.2
87.00880	0.3
92.25992	0.2
101.02437	0.2
105.01566	0.1
113.02508	0.2
117.03470	38.1
118.03835	0.3
119.05008	0.4
125.02437	0.2
145.02968	100.0
146.03302	1.0
161.04590	0.2
182.25023	0.1
256.30399	0.2
323.09857	0.2
407.11896	0.9
435.18552	0.2
449.13306	1.2
467.14215	0.2
509.15067	0.2
637.17981	0.7
697.19958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74279	0.1
59.01388	7.2
69.03445	0.2
71.01379	0.8
73.02956	0.3
75.26360	0.2
75.26871	0.2
85.02978	0.4
87.00896	0.9
89.02455	0.3
90.92474	0.2
101.02436	1.0
111.04899	0.2
113.02454	0.4
117.03473	39.8
118.03809	0.3
119.05014	1.6
121.02967	1.0
125.02431	0.4
127.03954	0.3
135.04565	0.3
143.03539	0.2
145.02971	100.0
146.03322	0.5
161.04608	0.3
163.04060	1.2
166.20758	0.2
194.74875	0.2
246.56834	0.2
295.37347	0.2
323.09851	0.2
383.12170	0.5
425.13333	0.3
467.14246	0.9
595.17151	0.3
602.50848	0.2
637.18158	1.1
655.19293	0.9
697.20044	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	697.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59068	0.1
59.01389	11.2
63.47544	0.1
69.44859	0.1
71.01398	0.3
89.02480	0.2
97.81875	0.2
100.90475	0.2
101.02452	0.2
108.33686	0.2
117.03475	41.0
119.05045	0.7
121.02977	1.5
125.00439	0.2
135.04564	0.3
145.02971	100.0
146.03326	1.0
163.03983	0.3
170.15466	0.2
285.14209	0.2
351.69427	0.2
407.12231	0.3
417.26785	0.2
467.14157	0.4
543.01575	0.2
573.02002	0.2
637.18268	0.9
697.20331	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11592	0.2
59.01389	9.8
60.07835	0.2
61.28051	0.2
61.98849	0.9
71.01394	1.5
73.02959	0.5
75.13062	0.2
78.95940	0.2
80.46548	0.2
81.03459	0.3
83.01377	0.4
83.05038	0.5
85.02962	1.1
87.00880	0.4
88.98811	0.2
89.02443	0.5
93.03484	1.6
96.96021	0.4
101.02457	1.7
105.82040	0.2
106.59979	0.2
108.02184	0.4
109.02972	0.5
113.02453	0.6
116.92918	1.0
117.03473	45.4
118.03849	0.3
119.03495	0.3
119.05013	2.8
121.02147	0.5
121.02964	9.6
125.02432	0.4
127.04033	1.1
135.04536	1.9
137.02463	1.0
139.07655	1.0
145.02971	100.0
146.03323	1.3
152.01201	0.4
153.01933	1.0
155.03534	0.3
160.01672	0.3
161.02477	0.5
163.03995	2.4
165.05566	0.4
173.04581	1.5
177.01874	0.5
179.03505	1.1
191.05644	1.7
284.03247	0.3
285.04092	0.3
306.92398	0.3
343.57510	0.2
349.09335	0.3
406.06796	0.3
519.99597	0.3
595.16870	1.0
617.39563	0.4
637.17950	2.0
637.39526	0.4
655.19019	1.6
659.36591	0.5
661.38007	1.2
697.19818	4.8
697.30365	0.5
714.23480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	2.8
56.61801	1.1
57.03459	2.3
58.00607	1.9
59.01387	51.1
61.98848	3.0
65.03041	1.4
66.69381	1.4
67.59686	1.4
69.03470	2.3
71.01397	18.7
72.99323	1.6
73.02972	6.8
74.10345	1.3
75.00864	11.1
81.03483	2.2
82.95461	8.3
83.01389	3.5
85.02966	20.1
87.00890	6.0
89.02454	12.2
92.00984	1.4
93.03456	13.8
95.01385	1.7
96.96008	1.6
97.06606	1.5
99.00932	5.8
101.02449	20.3
108.02194	3.6
109.02966	5.8
111.00858	2.3
113.02454	10.9
116.92867	2.5
119.03561	2.8
119.05034	67.9
121.02950	32.6
123.04587	2.3
125.02465	2.0
129.01955	5.8
132.05879	2.1
135.03003	13.4
135.04553	7.4
137.02469	6.8
143.05077	7.6
145.02951	19.5
145.06630	3.1
147.04541	2.4
149.42644	1.6
152.01193	5.7
153.01981	2.9
155.10863	5.8
161.04533	10.1
163.04030	45.9
172.75391	1.6
173.04572	11.2
177.04057	5.6
185.11880	2.2
190.02771	3.1
191.05670	18.6
191.07199	2.3
199.09811	1.8
199.95328	1.4
205.05078	2.9
210.06856	2.0
211.07704	18.9
223.07692	10.1
227.03496	1.9
229.05266	2.2
235.07747	1.7
237.09267	32.9
239.10872	9.6
251.07191	2.4
253.08739	3.2
255.02998	3.6
265.08737	6.4
283.09805	51.5
284.03384	2.3
285.04126	12.7
293.06772	9.3
323.05658	2.6
327.08813	100.0
343.12418	2.2
371.24463	17.4
373.26083	6.8
429.12372	1.8
439.26892	2.9
445.11624	21.1
457.11523	3.0
475.16095	6.2
504.34406	1.6
517.30426	2.5
535.31348	43.3
575.14056	13.3
635.16052	3.5
697.16968	19.2
697.37659	25.6
721.42072	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	696.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51383	0.2
52.33749	0.3
54.82631	0.2
59.01384	0.4
61.98834	100.0
65.12840	0.2
85.02422	0.3
90.02570	0.3
92.10064	0.4
117.03451	4.1
118.03828	0.4
119.05026	6.5
120.05377	1.4
121.02958	11.4
122.03288	1.7
145.02969	19.2
145.04109	0.6
146.03320	4.5
152.95959	0.3
163.04028	0.7
168.02353	0.3
171.53772	0.3
184.17369	0.3
199.67520	0.3
227.03806	0.3
235.33937	0.3
274.99359	0.3
280.00812	0.3
290.77844	0.3
311.40649	0.3
332.47498	0.3
434.94562	0.3
454.34311	0.4
473.04562	0.3
497.32681	1.7
498.33197	3.0
588.06024	0.3
617.38586	6.5
618.38965	18.3
633.37756	0.4
635.39728	2.4
636.39899	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	697.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98849	3.5
65.97638	0.6
67.37857	0.7
67.99172	0.6
105.72045	0.7
114.79828	0.7
121.02962	8.6
124.10667	0.6
130.80940	0.7
209.04645	4.1
341.17801	0.7
407.95868	0.8
601.37439	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55070	0.6
52.36763	0.6
52.60426	0.7
59.01405	0.9
61.86272	0.8
61.98838	100.0
62.62869	0.8
65.21062	0.9
67.01289	0.7
78.79527	0.7
92.10126	3.2
92.50916	0.8
100.92893	0.8
145.03032	0.9
479.01282	1.0
676.14789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19267	0.2
61.98837	100.0
71.53488	0.2
72.67406	0.2
85.48431	0.2
88.97372	0.2
117.03508	0.3
119.05014	0.8
121.02966	1.0
135.04547	0.3
145.02982	1.6
146.03307	0.3
147.09537	0.2
147.68260	0.2
163.04091	0.3
181.05040	0.4
209.35930	0.2
252.57352	0.2
446.58847	0.2
454.33951	0.2
469.59274	0.2
588.22321	0.2
618.39233	1.3
629.37000	0.3
633.37988	0.4
636.40009	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	19.3
61.99122	1.0
69.92754	0.7
101.73881	0.6
101.74584	0.7
110.80065	0.7
116.92910	5.1
117.03463	15.8
119.04359	0.7
119.05025	28.2
121.02955	60.1
126.24709	0.6
139.78665	0.7
145.02969	90.1
148.13449	0.9
160.74393	0.7
163.04008	4.9
175.28552	0.9
176.94360	0.7
187.60840	0.6
273.85208	0.7
453.33911	3.4
471.34808	1.4
497.32803	19.4
515.33826	0.8
540.07861	0.8
617.38593	100.0
618.38928	3.5
635.39722	32.8
695.35986	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43940	0.2
55.01883	0.3
57.03424	0.2
58.00596	0.2
59.01387	100.0
61.41225	0.2
61.98838	1.0
71.01398	1.1
83.01379	0.4
85.02969	0.9
94.44168	0.2
101.02450	1.7
101.03047	0.2
112.42367	0.2
115.38390	0.3
121.02955	1.2
131.03499	4.9
161.04578	0.2
174.99107	0.2
209.04689	0.3
312.95105	0.2
449.35760	0.2
635.41876	8.5
695.43512	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26632	0.2
51.93542	0.1
61.98838	100.0
70.32210	0.2
71.43413	0.2
81.98225	0.2
88.49500	0.2
89.44447	0.2
97.00323	0.2
117.03468	0.2
119.05038	1.1
121.02969	1.3
135.04526	0.5
139.49138	0.2
145.02992	1.9
146.03432	0.3
163.04041	0.4
181.05209	0.3
269.46664	0.2
378.28961	0.2
412.68869	0.2
453.33728	0.3
454.34286	0.3
498.33389	0.2
611.31274	0.2
618.39508	1.6
633.38190	0.5
635.39789	1.1
636.40027	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	695.394
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	39.0
74.19939	20.3
78.95903	26.7
86.05342	22.4
86.63584	21.6
92.38667	22.0
121.02940	47.2
128.75191	24.4
145.02959	53.3
232.66158	22.1
617.38232	36.6
634.71271	25.0
635.39624	93.9
695.38885	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	695.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02309	2.4
54.82555	2.4
55.09638	2.8
59.01397	13.1
61.94985	2.9
61.98840	6.3
76.53757	2.9
80.67949	2.6
85.26345	2.6
92.10770	3.0
102.96149	2.7
112.55843	3.0
119.05065	13.5
121.02955	6.5
135.04512	24.0
145.02975	5.6
163.03976	3.8
174.20697	3.2
262.26495	3.1
318.03113	3.0
387.53705	3.3
439.74866	4.3
453.33929	19.3
471.34763	17.2
525.20288	3.6
635.39764	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	695.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	2.9
61.98849	6.3
71.36199	1.0
72.87361	1.0
89.70102	1.2
100.70954	1.2
114.67740	1.2
117.03487	15.3
119.05028	73.5
121.02953	100.0
145.02979	90.0
163.04066	2.8
453.33936	16.9
497.32809	44.1
513.35565	1.5
573.39496	7.0
617.30615	1.8
617.38611	71.3
635.39697	94.2
636.39563	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	695.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82849	0.4
58.86937	0.4
59.01387	100.0
61.98836	0.8
69.95856	0.4
78.95898	6.3
83.78500	0.4
116.92855	1.0
156.75130	0.4
185.25443	0.4
189.09795	0.4
205.15860	0.9
210.13376	0.4
218.91286	0.6
335.15897	0.5
465.14383	0.5
505.37753	0.4
695.31366	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	695.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22445	1.3
59.01388	100.0
61.98843	3.2
63.52954	1.2
69.03454	3.1
71.01384	33.3
73.02947	50.2
73.03360	1.9
75.00891	2.3
75.83410	1.3
82.13293	1.6
83.01388	13.2
85.02957	6.4
89.02460	2.1
93.43587	1.8
97.02959	1.5
101.02446	39.7
113.02439	14.2
121.02992	2.5
125.02458	6.0
125.09163	1.9
131.03525	2.6
143.03510	8.7
151.04050	1.7
161.04599	1.7
166.67531	1.7
203.05661	7.8
553.83838	1.7
635.41461	2.4
639.81818	1.9
653.86304	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61726	0.1
54.31153	0.2
57.03463	0.2
59.01393	1.4
59.55996	0.1
67.01919	0.3
68.23331	0.2
69.03467	0.2
71.01405	1.0
77.58557	0.2
85.02957	6.1
87.00877	1.9
89.02460	0.3
93.03455	2.9
96.96017	0.7
96.96995	0.2
99.00881	0.2
99.04527	0.2
109.02956	0.7
111.04514	1.1
112.51260	0.2
127.04017	2.0
129.01952	0.3
133.02946	1.6
135.04521	3.4
153.48503	0.2
155.03528	0.3
161.02466	2.1
162.01288	0.2
171.02951	0.2
173.04539	2.1
179.03499	2.6
191.05634	100.0
192.06059	0.5
352.07635	0.4
353.08710	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	695.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	4.1
59.01388	2.5
67.01915	0.3
69.03474	1.2
71.01397	1.4
74.02518	0.3
75.00860	0.4
80.02699	0.5
81.03470	4.5
83.01394	4.3
83.05021	0.3
85.02971	1.4
87.00886	0.7
87.91364	0.3
89.02444	0.5
93.03446	3.7
95.01396	1.2
95.05030	6.6
96.96015	0.4
97.02953	10.9
99.04529	0.4
101.02452	0.6
105.03499	0.4
107.05056	0.4
108.02170	1.6
109.02963	35.9
111.04541	0.5
113.02423	0.3
115.00409	0.5
117.03420	0.4
119.03511	0.4
119.05089	1.1
121.02959	6.3
122.03756	1.4
123.04536	25.5
125.02460	22.6
133.02948	1.1
134.03761	0.6
135.04536	5.7
137.02464	14.2
138.03236	1.4
139.04044	6.4
145.02983	1.9
146.03748	1.9
147.04529	0.6
149.02458	6.8
150.03206	2.0
151.04034	15.4
154.02739	0.4
157.06619	0.6
158.03790	0.3
159.04573	4.7
159.08221	0.3
160.05315	2.9
161.02469	1.4
161.06108	7.5
162.03221	3.0
163.04005	2.7
164.01190	5.5
165.01949	5.7
166.02725	0.7
167.03511	2.9
173.04565	4.0
173.06087	1.8
174.03250	0.7
175.02515	1.1
175.04016	3.2
175.07634	3.2
177.05542	1.1
179.03520	8.8
180.04158	0.4
184.05228	0.5
185.06136	1.8
187.04016	7.8
188.04851	6.2
191.05649	4.2
191.07182	0.5
195.05208	0.3
199.07581	1.1
201.05606	1.6
202.06433	3.4
203.07182	20.2
205.05112	11.8
212.04893	0.6
217.08786	0.7
221.08221	6.9
227.07230	3.5
230.05923	1.4
235.19266	0.3
245.08228	23.7
247.06128	1.7
271.06149	1.0
289.07230	100.0
290.07605	0.7
297.34351	0.3
353.08853	2.0
532.17969	0.3
544.42657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
55.31892	0.2
57.13174	0.2
58.79807	0.2
58.83219	0.2
59.01393	1.5
67.01895	0.3
69.03461	3.3
71.01398	1.8
71.23138	0.2
75.00890	0.2
85.02956	7.1
86.98850	0.2
87.00873	2.0
89.02448	0.3
91.01879	0.3
93.03458	7.3
96.99325	0.3
97.02949	0.3
99.00887	0.6
109.02962	0.5
111.04555	1.2
113.02441	0.3
115.00384	0.6
117.03545	0.3
119.05029	43.0
121.02949	2.6
127.04035	1.7
131.05060	0.3
132.05826	1.0
133.01402	0.4
134.03758	3.0
135.03006	0.5
135.04553	0.5
137.02478	1.2
143.03670	0.2
143.05032	1.8
145.06604	0.3
155.03462	0.3
156.69957	0.3
160.01747	0.3
163.04027	34.4
171.03040	0.4
173.04549	2.4
176.87737	0.3
178.99860	1.0
179.03506	0.3
185.00957	0.5
191.05640	100.0
192.05936	0.6
193.05022	2.1
193.60841	0.3
195.06593	0.3
209.06104	0.3
211.07730	1.7
221.09724	0.9
237.04179	0.3
237.09151	2.0
239.10886	1.6
240.02768	0.3
265.08795	1.8
278.96103	0.3
283.09808	7.2
307.04773	0.3
309.07971	0.4
327.08807	38.6
328.09161	0.3
367.10394	12.6
695.15192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.2
62.73402	0.1
66.51627	0.1
71.01384	17.5
77.03959	0.1
82.06618	0.1
85.02953	0.5
87.00908	0.2
90.32989	0.1
93.03467	0.7
96.95998	0.1
108.02237	0.1
114.99557	0.2
115.00382	9.3
121.02961	100.0
122.03295	0.7
160.04060	0.7
173.04559	0.3
191.05643	2.2
192.06007	0.5
193.88782	0.1
211.14285	0.1
237.04077	10.7
252.96996	0.1
383.47623	0.1
399.16730	0.2
694.21466	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94965	0.1
63.95248	0.1
71.01389	16.6
77.03978	0.2
93.03478	0.5
96.47536	0.1
109.17909	0.1
114.99561	0.2
115.00380	8.3
121.02962	100.0
122.03280	0.8
173.04623	0.2
191.05661	1.4
192.05920	0.2
237.04079	11.5
414.65179	0.2
695.15039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94837	1.3
59.01386	1.5
61.98840	15.9
78.95925	15.9
81.03471	1.9
83.05058	5.7
84.02155	1.9
84.77653	1.5
95.36016	1.3
106.81524	1.4
121.73247	1.6
140.01199	9.8
152.99623	2.7
163.11272	7.6
165.12909	2.1
176.51085	1.6
187.40623	1.4
196.03838	3.2
209.09846	3.4
209.11861	100.0
227.12958	14.3
255.23328	58.9
256.23618	7.6
256.29446	1.7
314.53979	1.8
319.32101	1.5
353.98373	1.7
458.70435	1.5
603.59003	1.6
614.24323	1.7
662.40717	10.1
694.42889	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15326	0.5
53.62374	0.5
55.01886	1.1
57.03466	1.4
59.01381	11.3
64.35301	0.6
67.01883	0.7
69.03458	1.2
71.01385	10.0
72.99329	1.2
73.02960	2.7
75.00877	3.1
83.01395	13.5
85.02959	5.6
87.00874	17.3
89.02450	1.3
93.03461	3.0
95.01405	1.1
96.96008	0.8
97.02956	1.1
99.00890	3.6
100.01706	1.2
101.02464	3.0
105.62536	0.7
108.02172	2.9
109.02966	15.0
111.00889	23.6
113.02463	3.4
113.99601	3.9
115.00379	30.0
116.92886	2.6
119.03483	0.7
119.05030	1.2
121.02961	13.0
122.03767	7.5
123.00914	0.9
123.04498	5.2
125.02472	4.9
128.01155	1.6
133.02980	4.7
134.03778	4.9
135.02969	0.8
135.04535	13.7
137.02434	5.2
139.00391	24.8
139.04019	4.1
145.02931	5.1
146.03722	1.7
147.04521	3.7
148.01817	0.7
149.02454	12.6
149.06100	2.8
150.03200	2.9
151.04027	1.5
155.03497	1.2
156.00671	19.3
157.01439	19.6
159.04517	1.6
160.01643	1.4
161.02470	7.3
161.06061	0.9
163.04025	9.1
165.01944	0.8
173.02451	3.0
173.04541	1.0
174.01683	11.4
174.03247	3.5
175.02480	20.0
175.04002	5.2
176.01035	0.7
177.02017	6.9
177.05507	1.5
178.02766	1.3
179.03612	0.9
187.04016	5.9
188.04776	1.6
189.01930	2.5
189.05566	2.6
190.02711	4.0
191.03500	15.9
191.05597	3.1
193.05070	37.9
201.01945	4.1
201.05492	0.8
203.03506	6.6
205.01483	7.0
205.05048	5.7
206.02209	10.9
206.05835	2.6
207.06685	23.3
211.07674	1.1
213.05559	1.0
215.03510	4.0
216.04298	1.5
218.02238	1.2
219.03026	1.3
219.06635	4.7
222.05392	2.5
223.06090	3.2
225.61012	0.7
231.02884	1.0
231.06580	4.4
232.03831	2.7
233.04581	15.4
234.03114	1.3
234.05350	28.5
236.48022	0.7
247.06102	3.5
251.05600	3.6
257.04623	3.1
259.02661	1.1
261.04117	0.9
275.05637	9.2
277.07233	1.3
279.05200	3.8
279.08652	2.5
285.04285	0.7
289.07205	10.2
307.08292	100.0
309.06201	1.7
318.18658	0.7
329.21954	0.7
355.22455	0.8
369.12048	0.9
381.63782	0.7
415.63126	0.7
517.13647	1.6
555.15210	1.6
573.16290	30.2
575.14111	9.2
599.13959	4.4
617.15393	10.5
695.34979	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	693.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13491	4.9
59.01392	92.8
61.98838	11.3
63.27364	6.2
71.01405	14.1
74.82314	4.9
76.73875	5.8
78.95924	8.8
87.86976	6.1
121.02928	13.8
191.05598	7.5
203.65598	6.8
209.11852	48.8
211.13466	56.4
221.57809	5.6
227.12965	9.8
332.19705	6.1
471.34933	100.0
482.54294	6.4
693.32910	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63597	0.3
56.05307	0.3
59.01388	21.7
59.09102	0.3
61.98837	0.7
69.53521	0.3
71.01381	0.7
72.28749	0.3
89.02472	0.5
93.03473	0.6
95.87836	0.4
101.02435	0.6
119.03568	0.4
121.02968	0.5
153.76962	0.4
173.04523	0.4
191.05504	0.6
209.11884	0.8
471.34888	100.0
472.35284	2.4
485.36380	0.5
633.40057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46127	0.6
52.60046	0.5
63.69704	0.5
83.65156	0.7
116.85682	0.7
123.64474	0.8
136.15857	0.7
155.70731	0.7
161.36740	0.6
173.95782	0.7
221.15501	100.0
222.15691	0.8
233.48882	0.7
442.29294	0.9
471.34918	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35800	0.2
57.03443	0.3
59.01389	4.2
60.99326	0.3
62.74229	0.3
62.92503	0.2
63.45094	0.2
67.01913	1.7
69.03449	0.3
71.01400	2.4
73.02960	0.5
75.00874	0.3
75.34631	0.3
75.97997	0.2
81.03469	0.6
83.05034	0.4
84.74328	0.3
85.02966	11.0
87.00877	3.4
89.02481	0.5
93.03465	18.3
95.01430	0.4
96.96030	0.7
99.00865	0.4
99.04543	0.5
101.02454	0.5
108.02155	0.4
109.02975	1.7
111.00891	1.1
111.04552	3.1
113.02498	0.4
119.05039	1.7
120.60287	0.3
121.02959	0.6
127.04002	2.6
135.04482	0.4
137.02440	1.3
155.03511	1.4
171.02980	0.4
173.04570	17.6
175.04042	0.3
178.02791	0.4
191.05644	100.0
192.06010	0.6
193.04974	0.5
195.08206	2.5
197.09698	2.3
202.42044	0.4
211.06071	0.5
211.07854	0.4
213.12869	0.4
223.07700	0.6
233.06737	0.6
239.10812	3.8
258.60992	0.3
274.36469	0.3
283.09830	3.1
300.02869	0.5
457.15158	1.3
501.14127	10.9
519.15149	1.3
693.20459	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	691.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74276	0.6
71.88047	0.7
74.89867	0.7
78.95900	31.8
80.02670	2.7
81.03453	0.9
83.05038	7.2
84.02167	3.2
92.10050	1.5
95.05029	0.7
96.96958	1.4
113.23455	0.8
149.25014	0.8
152.99600	44.7
163.11327	7.3
165.12849	5.8
165.63675	0.8
171.00662	4.7
181.12325	0.8
200.15753	0.7
209.11865	100.0
227.03264	3.3
227.13004	5.1
245.04333	1.3
253.21733	10.5
363.12259	4.8
387.93866	0.9
437.15967	3.0
455.16974	53.3
503.81982	0.8
683.68079	0.9
691.38409	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97506	0.2
51.95750	0.1
57.02194	0.2
59.01382	1.3
65.14661	0.2
67.01926	0.8
69.03486	0.2
71.01387	0.4
78.12880	0.2
83.05054	0.4
85.02961	7.8
85.03466	0.3
87.00904	2.3
89.04008	0.3
93.03462	5.8
93.04013	0.3
101.02467	0.2
105.03471	0.9
109.02984	1.1
111.04538	1.7
119.05031	2.4
120.05342	0.4
121.02961	8.8
122.66928	0.2
126.07306	0.2
127.03986	2.2
133.02959	7.8
134.03569	0.2
135.04535	2.9
137.02409	0.2
155.03503	0.3
161.02446	2.9
163.04015	3.1
164.04366	0.9
171.02982	0.4
173.04565	2.9
177.01945	25.9
178.02315	0.2
179.03493	1.6
182.04446	0.2
191.05637	100.0
192.05992	2.4
193.06100	1.0
197.74013	0.2
215.05603	1.5
295.08276	1.6
337.09192	0.4
339.07092	3.2
351.07251	3.1
353.08804	8.3
353.12976	0.4
354.08908	0.3
435.77225	0.2
494.12497	0.2
622.23108	0.2
693.19263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09389	2.2
59.01390	39.5
61.98849	17.1
71.01395	26.3
72.74742	2.5
78.39476	2.6
78.95893	2.8
79.59866	2.3
83.01433	3.9
85.02999	3.0
89.02460	12.0
101.02451	12.5
110.43707	2.9
113.02445	3.3
121.02987	11.5
151.04166	3.2
160.76080	3.7
160.77458	2.5
173.04584	5.1
179.41782	2.8
191.05684	4.9
195.13884	5.7
209.11842	5.5
223.13463	4.7
275.20288	3.1
293.21289	100.0
293.24353	5.6
397.13309	18.8
415.14569	25.8
501.07080	3.3
549.71661	2.9
691.36517	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	691.356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38960	0.2
50.39192	0.2
54.06362	0.2
54.82936	0.2
57.03447	0.5
58.00611	0.3
59.01389	11.9
61.60857	0.2
61.98831	1.1
71.01383	4.2
71.05047	0.3
71.70213	0.2
72.30762	0.3
73.02950	1.2
80.02678	1.2
81.03447	1.3
83.01390	0.5
83.05029	6.0
84.02168	1.2
85.02969	2.3
85.03410	0.2
87.00889	1.1
89.02451	2.7
93.03457	1.1
95.05055	0.5
96.00912	0.3
96.47174	0.2
96.96046	0.4
97.02940	0.4
98.66671	0.3
101.02447	3.3
101.88119	0.2
108.84848	0.2
113.01797	0.3
113.02438	2.1
117.03472	20.1
119.03516	0.6
119.05025	2.2
120.05779	0.3
121.02937	2.6
125.06084	0.5
125.09763	1.1
127.11300	1.6
135.04549	1.1
135.08157	4.3
137.02388	0.5
139.97823	0.3
145.02968	63.2
146.03316	1.5
147.04404	0.3
155.10823	0.7
161.04564	1.4
163.04016	1.1
163.11293	4.8
165.12852	3.4
171.10277	1.7
173.04625	0.5
179.05562	0.4
181.12393	0.5
191.05641	1.1
191.10838	1.1
201.11357	21.5
207.10313	0.3
209.11867	100.0
210.12270	1.3
227.12947	10.9
227.15102	0.5
235.08263	2.0
253.09309	7.0
367.29187	0.3
393.22931	0.4
403.84146	0.3
437.20575	0.6
441.17114	0.3
445.20822	2.4
477.30765	1.9
509.37842	0.3
595.17114	1.4
611.30975	0.3
631.40869	1.0
637.32068	0.4
655.18860	3.5
691.35724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37068	0.9
54.96805	0.9
55.01886	1.1
57.03461	2.3
57.32721	0.8
59.01386	12.4
61.98858	7.7
64.34207	1.1
71.01385	12.6
71.62218	0.9
73.02953	2.1
81.03464	1.1
83.01398	2.4
83.05048	7.0
85.02973	1.7
89.02478	5.0
93.03458	2.5
95.05036	2.6
97.06612	6.7
101.02456	9.2
109.06609	1.6
111.04435	1.2
113.02473	2.3
121.03011	4.1
137.02463	2.1
137.10551	1.1
151.11320	22.3
161.04576	1.5
163.11336	7.5
165.12880	2.5
169.12358	100.0
173.04533	4.3
179.94566	1.0
181.12334	1.2
183.13939	1.5
187.46941	1.1
195.10420	1.2
209.11862	90.5
211.13422	1.7
213.11397	11.3
227.12914	9.0
253.09340	4.8
338.77692	1.1
407.86050	1.2
449.20657	2.1
471.41531	1.4
497.44711	1.1
506.12189	1.1
545.30176	1.3
637.32758	1.8
645.50446	1.1
652.27350	1.3
659.33038	84.1
673.34406	1.8
691.35742	11.9
708.24683	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45475	2.9
54.74176	2.4
59.01394	5.9
61.98841	13.2
64.06287	3.0
64.34486	3.1
67.42702	2.8
71.01368	2.9
78.95933	11.5
87.94120	3.1
92.65632	3.6
116.92870	7.2
118.13568	3.2
128.92865	3.0
131.76428	3.2
152.99612	4.9
209.11862	100.0
227.12936	15.7
253.09302	4.1
445.04376	3.2
691.31323	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	691.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	47.4
61.98851	17.0
62.12491	6.9
62.31987	6.7
71.01399	8.5
74.95169	7.4
78.95912	8.2
93.03481	9.0
113.02451	8.1
123.36396	6.8
143.33955	8.6
166.53867	9.0
183.13945	27.1
209.11885	100.0
254.50592	8.3
468.33426	9.1
511.64954	9.5
691.32947	8.3
722.34497	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	691.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71224	1.5
59.01382	19.4
61.98843	7.4
71.01382	13.7
73.02955	2.7
80.12040	1.4
83.01385	1.7
83.05036	2.3
83.98846	1.6
85.02975	3.9
87.55303	1.5
89.02453	7.9
92.10789	3.1
93.03476	6.2
96.96019	2.6
101.02448	8.5
112.39416	1.6
113.02452	3.6
120.87232	1.5
121.02928	9.1
127.05627	2.0
127.11301	2.7
135.04523	6.1
137.02452	2.6
139.72890	1.6
145.02937	3.1
155.10768	1.8
155.81573	1.6
163.11295	2.0
165.12833	16.5
171.10304	3.2
173.04532	3.0
183.13913	100.0
183.15559	3.5
191.05505	2.9
201.11334	46.2
209.11858	62.1
210.12061	3.1
225.11253	2.3
227.12923	9.6
253.09314	3.9
274.32895	1.8
389.25970	2.9
506.09647	2.0
647.33020	18.6
673.34430	40.2
691.35583	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49909	0.4
59.01385	5.3
67.01894	1.0
71.01390	3.4
72.69828	0.4
73.80701	0.5
78.95944	0.5
85.02953	8.3
86.66091	0.5
87.00887	2.9
93.03457	47.8
93.07009	0.5
93.87987	0.5
96.96012	1.8
101.02439	0.9
108.02212	1.0
109.02961	2.9
111.04530	2.0
115.00397	1.2
119.05011	0.9
121.02965	1.9
123.04468	0.6
127.04019	1.9
127.07741	0.5
129.01958	0.6
133.02954	5.5
134.03809	4.0
135.02988	0.5
135.04538	3.1
137.02449	100.0
138.02748	1.0
145.02917	1.2
147.04533	2.1
155.03488	0.7
161.02435	1.0
163.04008	1.0
173.04568	8.7
177.01939	0.7
191.05634	69.6
192.05986	2.4
193.05092	2.4
195.06625	0.9
199.34393	0.6
220.20888	0.5
226.06436	0.7
227.07166	2.2
239.39015	0.5
255.10326	10.7
285.06259	6.9
327.10892	2.0
343.08365	2.4
353.08853	3.8
452.66733	0.6
472.65857	0.5
499.12555	1.0
517.13434	3.0
691.18726	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	691.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	19.0
61.98846	16.6
78.95925	7.3
83.05049	3.7
92.10042	5.2
109.48334	2.4
110.30585	2.7
116.92862	3.2
119.72521	2.6
121.02921	3.4
195.35226	2.8
195.37283	2.8
196.69974	3.0
209.11893	100.0
227.12918	7.0
235.08205	4.8
591.32983	3.6
631.39484	4.1
641.26202	3.2
691.31055	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	691.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
59.01152	0.1
59.01398	1.0
67.01917	0.2
71.01398	0.7
73.02948	0.2
83.05051	0.2
85.02956	7.1
87.00893	1.4
91.47442	0.2
93.03461	3.0
93.04004	0.2
99.04517	0.3
109.02983	1.0
111.04575	1.3
112.03867	0.1
127.04018	1.9
133.02963	1.9
134.03320	0.3
135.04533	0.7
137.02409	0.2
149.41801	0.1
155.03522	0.2
161.02495	3.0
168.95320	0.1
171.03038	0.6
173.04581	1.8
179.03519	0.3
191.05655	100.0
192.06009	0.7
232.40036	0.2
287.06772	0.5
353.08859	13.6
479.04269	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79972	0.3
59.01387	0.5
71.01381	2.3
73.02953	0.7
81.03453	0.4
83.01388	0.3
85.02955	2.5
89.02448	0.4
92.10139	0.4
93.03468	0.7
95.01390	1.5
99.00860	0.4
101.02459	1.5
108.02182	92.5
109.02964	29.7
113.02447	1.6
121.02969	0.9
123.00852	0.4
123.04517	0.7
127.81646	0.3
133.02983	0.6
135.04556	0.7
151.04025	2.2
152.01167	82.3
153.01956	28.4
161.86008	0.3
163.03954	0.8
164.49181	0.4
165.01935	2.3
179.03571	0.4
188.62846	0.4
189.10316	0.4
191.05603	2.4
224.51288	0.3
309.11935	0.8
313.36566	0.4
315.07281	100.0
316.07593	0.8
375.06793	0.4
431.08362	0.4
546.88171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77347	0.2
58.02983	12.6
59.01386	0.3
70.02981	7.9
72.00906	4.1
72.04543	2.8
74.02474	55.1
83.66338	0.3
83.71842	0.2
92.10103	0.7
98.02480	15.4
103.84711	0.3
116.03550	16.3
116.05063	22.3
129.05875	0.4
130.06639	2.2
142.06628	6.3
149.37939	0.3
157.07904	0.3
159.09293	5.2
163.27315	0.3
169.19118	0.3
172.30623	0.3
183.09247	1.6
186.05614	1.4
187.55453	0.3
191.05554	0.4
201.10382	4.8
203.08295	64.5
204.08678	0.3
245.09341	100.0
246.09694	1.4
289.08188	0.4
340.38556	0.3
595.38788	0.3
635.01318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13557	4.6
50.80951	5.5
59.01399	49.8
61.98836	60.1
71.01384	45.9
73.02965	8.8
83.05052	10.1
83.76486	5.4
84.40981	5.5
85.02956	8.6
88.07793	4.7
89.02471	9.9
93.03475	25.9
94.71373	4.7
99.00904	20.5
101.02458	28.2
109.02993	5.9
113.02455	6.4
121.02971	62.4
135.04527	11.4
137.02448	5.4
151.11336	7.6
169.12349	100.0
171.10338	9.8
173.04521	26.9
181.12372	5.9
183.13950	11.4
191.05630	11.9
197.11885	5.7
198.12198	6.2
199.13594	7.2
209.11861	70.5
211.13412	10.0
225.11441	10.5
227.07275	9.9
227.12923	7.0
488.85663	6.0
659.33173	69.8
691.35187	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	691.189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	1.0
65.06166	0.2
67.01875	0.1
71.01379	0.4
71.89123	0.2
73.02927	0.3
83.05045	0.2
85.02954	6.9
85.03463	0.3
87.00865	1.7
92.10120	0.4
93.03468	2.8
99.04519	0.2
103.79359	0.2
109.02983	0.8
109.33138	0.2
111.04550	1.1
127.04013	2.2
133.02943	1.3
135.04509	0.3
148.13791	0.2
161.02454	3.1
163.59871	0.2
171.03035	0.7
173.04533	1.4
179.03481	0.4
189.09200	0.2
191.05634	100.0
192.06056	0.4
196.44925	0.2
199.18140	0.3
243.17114	0.9
248.23726	0.2
346.88300	0.2
353.08807	12.0
446.60202	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48049	0.1
57.67979	0.1
59.01388	6.7
61.98837	0.1
63.81717	0.1
69.03460	0.2
70.02544	0.1
71.01038	0.1
71.01376	1.0
73.02953	0.9
75.00894	0.1
76.58134	0.1
77.26463	0.1
80.17820	0.1
83.01394	0.5
85.02969	0.7
87.00880	1.1
89.02474	1.0
91.44231	0.1
93.03445	0.1
95.44843	0.1
96.96007	3.0
97.02969	0.2
101.02460	1.3
110.82066	0.1
113.02448	1.4
115.04006	0.1
117.03471	32.2
119.03513	0.2
119.05053	1.0
121.02926	0.2
125.02467	0.3
126.90443	0.2
128.00835	0.1
129.02032	0.1
129.75983	0.1
139.95694	0.1
141.01918	0.2
143.03517	0.1
145.02969	100.0
146.03288	0.6
153.01784	0.2
161.04564	0.2
163.04066	1.2
169.01181	0.1
179.05614	0.2
191.05620	0.2
201.11378	0.3
209.11815	1.3
227.12994	0.2
269.02563	0.1
305.08777	0.2
323.09872	0.6
341.11057	0.7
349.09436	0.1
362.64395	0.1
365.11081	0.2
383.11990	1.9
425.13504	0.3
467.14063	0.3
595.16949	0.7
613.18182	0.3
655.18964	9.9
656.19305	0.2
714.60199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36816	0.1
55.01872	0.2
59.01390	8.1
61.98834	0.5
62.40660	0.1
69.03458	0.2
71.01395	1.8
72.42361	0.1
73.02935	1.2
75.00847	0.2
80.39451	0.1
81.03445	0.1
83.01398	0.6
83.05037	1.2
84.02223	0.1
84.59860	0.1
85.02964	0.8
87.00883	1.1
89.02430	1.1
89.03948	0.2
93.03446	1.3
95.01408	0.2
101.02435	1.6
102.90121	0.1
113.02460	1.2
117.03468	32.0
118.03821	0.2
119.03499	0.3
119.05026	1.7
120.59802	0.1
121.02952	0.5
125.02428	0.6
125.09709	0.2
127.11308	0.3
129.02000	0.1
135.04498	0.2
135.08170	0.5
137.02481	0.8
142.93935	0.1
143.03519	0.2
145.02965	100.0
146.03314	1.0
156.92433	0.1
161.02357	0.1
161.04601	0.6
163.04045	1.4
163.11266	0.8
165.09193	0.1
165.12846	0.3
171.10323	0.2
173.04602	0.2
185.55070	0.1
191.05655	0.2
201.11356	4.8
209.11864	19.1
210.12331	0.2
217.05130	0.2
227.12886	1.9
235.08278	0.3
253.09280	1.4
323.09982	0.1
341.10846	0.2
349.09476	0.6
365.10739	0.2
383.12134	0.8
425.13458	0.3
429.62842	0.1
437.19904	0.2
445.21152	0.3
467.14304	0.3
595.17029	0.5
613.17529	0.9
655.18890	7.5
656.20038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.3
59.01109	0.5
59.01388	9.8
61.98839	1.5
68.97687	0.2
69.11770	0.3
70.27531	0.2
71.01398	1.2
74.55403	0.2
75.00861	0.3
83.01380	0.3
83.05028	0.4
85.02953	1.1
87.00886	0.6
89.02477	0.5
93.03466	0.5
96.96042	0.5
97.03006	0.3
101.02453	1.1
113.02460	1.0
117.03471	31.1
119.03455	0.3
119.05009	1.8
121.02976	1.2
135.04573	0.3
135.08171	0.4
145.02968	100.0
146.03389	0.4
161.04575	0.3
163.04012	1.0
163.11298	0.3
173.04570	0.3
173.06047	0.3
181.07060	0.2
191.05630	0.3
191.52791	0.2
201.11339	2.9
209.09856	0.5
209.11864	14.6
210.12244	0.3
220.48959	0.3
226.91864	0.2
227.12918	2.1
253.09358	1.1
270.34918	0.3
323.09909	1.2
349.09540	0.4
365.10873	0.5
407.12021	0.4
587.93695	0.3
595.16962	1.4
613.17786	0.3
613.39459	0.3
655.18988	6.6
691.35645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51564	63.4
55.41937	61.3
58.29380	63.1
59.01397	85.4
61.98843	87.9
63.67384	73.1
66.02227	80.4
79.52859	76.3
88.59460	70.1
92.65405	88.2
591.62494	100.0
592.80603	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41902	9.5
54.83046	10.9
54.83279	12.2
55.41719	11.3
56.96714	10.6
59.01378	14.2
61.98833	100.0
69.01583	12.3
77.68643	12.5
90.76532	12.0
116.92904	22.4
206.79265	14.4
243.31122	12.2
252.04822	13.4
255.23245	19.6
315.32733	14.0
397.13464	47.7
518.64600	13.3
565.98120	13.6
653.37903	14.7
689.35315	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66063	0.5
51.60122	0.5
54.12236	0.6
55.01904	0.7
58.00599	1.0
59.01386	13.0
61.98837	0.8
66.85252	0.6
71.01385	63.2
73.02966	1.6
80.02702	1.6
81.03450	1.5
83.05024	7.6
83.11453	0.6
85.02983	1.6
87.00883	1.3
89.02466	3.6
95.05048	3.2
97.02969	5.3
99.00885	1.3
101.02455	5.1
109.02957	0.7
109.06601	12.1
109.08144	0.6
110.03764	1.0
113.02441	1.1
119.03554	1.2
121.02941	0.9
125.09743	3.0
127.11321	2.8
135.08182	3.2
139.07718	0.7
149.09814	0.8
155.10779	1.1
161.04590	1.5
161.09756	1.4
163.11310	14.8
165.12831	3.3
171.10298	21.9
181.12372	5.3
181.61711	0.8
185.11853	3.2
189.09222	0.9
191.10838	1.0
197.11868	0.8
201.11421	7.6
207.10315	34.1
209.11874	100.0
221.11842	0.9
223.27748	0.7
225.11356	26.0
227.12918	9.6
235.08301	1.2
243.12357	2.6
253.09329	7.7
399.21854	0.9
417.23041	1.1
461.20447	6.5
653.32233	1.2
671.32843	2.6
689.34174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	2.1
57.03468	2.2
59.01395	9.6
61.98841	2.2
69.03468	0.5
71.01392	7.4
71.05039	5.3
73.02957	1.0
78.95918	1.2
80.02712	1.1
81.03472	0.9
83.01392	0.6
83.05048	5.1
84.02176	1.1
85.02974	2.3
87.00888	2.2
87.23161	0.5
89.02457	4.1
89.63619	0.6
95.01425	0.5
95.05045	1.1
96.96036	1.1
97.02951	6.4
97.06581	4.8
99.00891	39.6
100.54476	0.5
101.02464	4.5
109.06617	2.9
109.89257	0.6
113.02449	2.0
119.04975	0.5
121.02967	1.0
123.08167	3.3
125.06132	0.8
125.09724	14.4
125.10596	0.8
135.04495	0.7
135.08154	1.2
137.02452	0.7
142.02716	0.8
145.05104	0.5
151.07721	0.6
155.14389	0.8
161.04617	0.8
161.09741	0.9
163.11299	15.9
165.12848	1.2
171.10272	3.7
173.04651	0.9
176.68469	0.6
181.12369	19.7
191.03430	0.4
191.05591	2.0
191.10831	0.7
197.11877	2.4
199.13458	10.4
201.11330	1.2
207.10312	50.3
208.10619	0.7
209.11877	52.9
210.12273	0.9
223.13437	0.7
225.11369	69.8
227.12895	3.7
243.12408	36.0
243.14914	1.2
253.09334	2.6
436.97595	0.6
461.20517	1.2
464.52011	0.6
479.21497	5.5
479.37207	0.6
629.38397	0.8
671.32922	2.8
689.34027	100.0
690.34265	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	689.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31815	0.9
51.62004	1.1
57.03463	1.5
58.00610	1.2
59.01390	22.9
61.98841	6.4
71.01384	17.3
71.05043	1.2
73.02961	2.7
73.50101	1.1
75.79245	1.0
81.03486	2.3
83.05032	10.0
85.02972	7.8
86.29963	1.4
87.00875	5.3
89.02430	10.4
93.03481	7.2
95.05079	1.9
96.96032	3.0
97.02973	5.9
97.06577	1.7
99.00903	10.1
101.02428	12.7
109.02984	1.7
109.06580	3.1
113.02477	4.9
119.05015	2.6
121.02955	9.8
123.08168	1.7
125.02433	1.7
125.09725	6.5
135.04530	2.3
135.08188	11.0
136.05389	1.9
137.02444	5.5
137.06076	2.4
142.02657	1.3
145.02985	2.6
155.10701	1.4
159.04472	1.2
161.04556	1.9
163.11298	16.2
164.04874	2.7
165.12848	2.0
171.10286	14.0
173.04579	5.4
179.03433	1.5
179.07156	5.1
181.12384	15.3
191.05588	9.5
197.11833	1.5
199.09904	2.1
199.13429	15.6
201.11348	7.0
207.10306	42.0
209.11865	100.0
225.11366	46.4
227.03485	1.8
227.12949	10.8
235.08049	1.6
243.12418	13.0
253.09189	7.6
284.03421	1.5
285.04144	1.9
303.51193	1.5
461.20242	5.8
475.29327	3.1
501.38782	1.7
601.53967	1.6
629.39246	6.7
671.32904	2.3
689.33960	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	689.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97777	0.7
57.03466	0.9
58.02978	11.3
59.01391	6.3
68.39458	0.9
70.02997	7.4
71.01385	8.4
71.59234	0.8
72.00918	1.3
73.02966	1.1
74.02477	54.1
75.00887	0.9
85.02987	3.9
87.00887	1.3
91.01932	1.0
92.08754	1.0
93.03451	2.2
96.96032	2.2
98.02489	14.0
108.02210	1.2
109.02973	4.5
113.02494	1.5
115.00392	1.6
115.88100	0.9
116.03551	18.5
116.05066	18.0
116.92854	7.5
119.05029	2.2
121.02966	32.2
130.06586	1.6
135.02985	1.1
135.04535	4.4
137.02336	1.7
140.15387	1.0
142.06633	5.2
143.05043	1.7
147.04507	2.2
147.92122	1.1
148.25980	0.9
152.01176	1.4
159.09290	6.0
160.89983	1.0
163.03970	1.8
165.05525	1.3
166.37141	1.0
175.07498	1.2
183.09282	1.1
184.07724	1.1
191.05673	12.4
201.10385	5.1
203.08305	60.4
233.36267	1.0
235.07707	1.1
237.04065	2.4
237.38635	1.0
245.09343	100.0
253.08647	5.1
297.07761	1.2
327.08472	1.0
651.61237	1.1
689.25732	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02330	6.3
52.08307	5.5
57.13337	5.9
58.03383	6.2
59.01398	49.0
61.98848	14.2
69.68611	6.6
71.01381	51.3
76.57678	9.7
85.02953	8.9
89.02450	13.1
90.57203	6.9
93.03461	15.1
97.02945	6.4
101.02442	9.1
103.26624	6.5
109.06578	17.5
121.02909	9.4
144.67461	7.1
148.76608	8.6
152.90961	7.1
163.11238	17.1
171.10310	18.0
183.13867	100.0
187.85735	8.2
207.10416	66.2
209.11833	91.8
211.13499	13.2
225.11337	16.6
227.12845	18.2
253.09329	11.5
291.19897	12.3
381.54486	7.7
391.25012	9.3
471.65594	8.6
548.03717	9.3
671.32428	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	689.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97777	0.7
57.03466	0.9
58.02978	11.3
59.01391	6.3
68.39458	0.9
70.02997	7.4
71.01385	8.4
71.59234	0.8
72.00918	1.3
73.02966	1.1
74.02477	54.1
75.00887	0.9
85.02987	3.9
87.00887	1.3
91.01932	1.0
92.08754	1.0
93.03451	2.2
96.96032	2.2
98.02489	14.0
108.02210	1.2
109.02973	4.5
113.02494	1.5
115.00392	1.6
115.88100	0.9
116.03551	18.5
116.05066	18.0
116.92854	7.5
119.05029	2.2
121.02966	32.2
130.06586	1.6
135.02985	1.1
135.04535	4.4
137.02336	1.7
140.15387	1.0
142.06633	5.2
143.05043	1.7
147.04507	2.2
147.92122	1.1
148.25980	0.9
152.01176	1.4
159.09290	6.0
160.89983	1.0
163.03970	1.8
165.05525	1.3
166.37141	1.0
175.07498	1.2
183.09282	1.1
184.07724	1.1
191.05673	12.4
201.10385	5.1
203.08305	60.4
233.36267	1.0
235.07707	1.1
237.04065	2.4
237.38635	1.0
245.09343	100.0
253.08647	5.1
297.07761	1.2
327.08472	1.0
651.61237	1.1
689.25732	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18735	0.2
52.84706	0.2
59.01388	2.5
60.99308	1.0
61.37477	0.2
64.82678	0.2
67.01893	4.5
69.03459	1.4
71.01388	2.2
73.02945	0.5
75.00862	0.3
76.01003	0.2
77.03973	1.4
81.03462	1.0
83.05056	1.1
85.02959	2.8
87.00883	8.2
89.03965	0.5
93.03459	32.9
94.03817	0.4
95.05034	4.1
99.00899	0.3
101.02452	0.2
105.03471	16.5
107.05051	1.1
109.02939	2.9
111.04535	4.8
119.05033	2.0
121.02971	1.0
123.04515	3.3
127.04068	0.4
129.01945	0.5
132.02217	0.3
133.02966	100.0
134.03481	0.4
135.03014	0.3
135.04535	10.5
137.02451	15.6
137.03510	0.5
138.02832	0.4
141.11125	0.3
145.02974	0.3
147.04451	0.4
149.02512	0.5
150.03250	2.2
151.04008	1.3
155.03519	0.6
161.02466	0.6
163.04027	1.0
171.02968	0.3
173.04572	17.5
177.01944	24.8
178.76584	0.3
179.03516	3.2
191.05643	30.0
192.05991	1.9
215.05641	11.4
251.07248	1.0
253.08679	0.3
278.05594	0.3
279.06747	1.7
285.06274	0.6
305.04669	0.3
307.08350	1.8
323.05688	1.8
337.09586	2.0
351.07288	35.4
497.11249	0.5
689.17249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88250	0.4
51.08104	0.4
51.92492	0.3
59.01390	1.6
69.96138	0.4
71.01400	2.0
77.37581	0.4
77.74086	0.4
85.02958	1.5
89.02432	0.7
92.05071	2.7
101.02426	1.0
110.06123	10.7
120.04562	5.2
134.03709	0.8
135.04520	1.7
136.04019	0.5
138.03252	0.5
152.24307	0.4
154.80037	0.4
158.41290	0.4
161.02480	0.5
164.03545	100.0
179.03461	1.7
182.02190	0.4
189.08867	0.6
191.05626	2.3
201.01736	2.5
278.23489	0.4
313.09406	1.7
362.06534	11.0
375.07141	3.7
388.72696	0.5
395.08231	0.4
654.35492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84029	3.3
55.01887	3.6
59.01398	37.2
61.98853	16.5
69.03495	5.7
71.01408	25.0
82.88673	3.7
83.01420	3.8
83.05048	6.4
85.02995	8.5
89.02444	8.7
92.10120	9.8
93.03464	48.9
96.96001	5.4
101.02434	15.3
109.02953	6.2
113.02501	4.1
119.04988	4.6
121.02947	50.5
122.03246	6.4
125.02454	4.9
135.00842	5.7
135.04546	6.9
137.02441	63.5
147.77945	4.0
151.11279	4.8
153.01959	15.3
163.11310	6.7
171.10287	6.8
173.04474	7.1
179.10783	4.5
191.05598	17.2
191.95901	4.0
197.11861	76.9
205.08681	5.9
207.10239	6.5
209.11882	95.3
225.11398	7.7
226.29904	4.6
227.12939	6.8
295.07959	4.4
372.12210	4.3
508.99500	4.0
522.89404	4.2
627.38220	5.7
687.32324	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	687.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38668	0.7
55.01878	1.0
57.74516	0.7
59.01385	100.0
60.01729	7.6
61.01804	4.2
61.98836	30.2
69.03441	1.0
71.01373	6.7
73.02945	1.2
74.02456	0.9
80.02681	0.9
81.03435	1.0
83.01388	0.9
83.05041	6.5
85.02956	3.2
87.00887	1.2
88.70204	1.0
88.98833	1.8
89.02447	4.9
92.10075	1.8
93.03465	5.2
95.01404	0.9
95.05037	1.3
96.12241	0.8
97.03017	0.9
97.06600	1.1
101.02441	6.3
108.02184	1.1
109.02927	1.2
113.02469	3.6
116.05051	1.8
119.04951	0.9
121.02966	11.2
123.00864	0.9
123.04515	1.1
124.01647	4.6
125.02437	8.7
125.09715	1.2
127.03667	0.8
135.04465	1.9
135.11761	1.0
137.02457	5.8
149.99553	5.2
151.00427	0.9
151.11342	1.4
153.01976	1.2
153.12901	3.1
163.03981	1.2
163.11337	6.1
165.01909	1.2
165.12796	2.0
167.03603	1.0
168.00635	11.8
169.01540	1.2
169.12350	27.2
179.03477	0.9
180.04247	1.0
181.12317	1.0
191.05530	1.8
191.10703	1.3
197.11856	47.5
209.11864	83.8
210.12132	1.1
227.12839	3.9
253.09158	1.5
269.08212	4.4
270.08545	1.4
283.09753	1.1
284.10022	1.0
299.09149	1.2
299.12546	0.9
300.09708	1.1
301.09741	1.0
311.09314	2.1
312.09683	1.5
313.09967	1.2
314.11633	1.9
315.12012	4.8
316.12061	4.3
326.11536	3.5
327.11942	3.4
328.12015	1.0
329.14001	8.7
330.14386	11.0
331.14633	8.0
341.13803	5.2
342.14249	5.6
343.14426	3.6
377.40988	0.9
390.16751	1.0
391.16376	1.4
404.45193	1.0
510.06580	0.9
532.83240	1.1
643.32813	1.7
687.32318	73.6
688.32373	1.0
690.06677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46228	1.2
59.01389	23.1
61.05579	1.3
61.98836	11.0
64.22178	1.2
68.99840	1.5
71.01385	20.6
71.05068	1.5
73.02958	3.1
74.88159	1.3
77.28957	1.3
81.03471	3.2
83.01384	2.0
83.05035	12.2
85.02979	2.8
89.02440	3.2
92.10130	3.1
93.03445	1.7
95.05060	2.8
97.02937	2.5
97.06626	2.6
97.14233	1.4
99.00911	1.9
101.02393	3.8
109.02964	1.9
109.06607	3.1
110.03748	2.1
111.04532	9.3
113.02468	3.5
114.39532	1.4
121.02971	21.1
121.76743	1.6
123.08184	2.5
125.06086	3.4
125.09713	3.4
135.04556	2.1
136.05338	6.0
141.01711	2.3
151.11276	2.1
161.04572	2.0
161.09746	6.9
163.11334	8.0
165.09151	4.4
165.12889	3.0
169.12305	2.8
171.10286	22.5
177.09271	2.0
179.10754	5.5
185.11824	2.7
191.05768	1.9
191.10886	1.5
197.11887	3.0
201.11252	2.1
205.08690	9.8
207.10295	8.2
209.11871	100.0
213.11345	3.1
223.09776	29.9
223.13388	5.1
223.37476	1.3
225.11349	3.3
227.12938	9.0
235.08116	1.7
241.10950	1.8
253.09299	9.4
307.42938	1.7
465.36014	14.6
481.58249	1.6
634.73944	1.5
651.30194	6.2
662.98737	1.7
669.31531	6.1
687.31934	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	687.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77115	0.6
54.82911	0.6
57.03455	0.7
58.54944	0.6
58.88569	0.6
58.99689	0.6
59.01381	5.3
61.59133	0.7
61.98833	0.8
69.03467	0.7
71.01391	4.0
71.62251	0.8
73.02964	1.3
75.00897	1.2
78.03419	0.6
81.03465	2.5
83.01388	0.9
85.02956	7.0
87.00868	0.8
87.04508	1.3
89.02460	1.2
93.03468	8.2
95.00235	0.9
95.01387	1.4
95.05019	0.9
96.96011	8.6
99.00871	0.8
101.02430	0.9
107.01411	0.8
108.02184	83.1
109.02967	67.7
113.02446	1.6
119.05028	1.5
121.02950	8.3
123.00894	1.5
123.08116	0.9
125.02437	0.8
125.09707	5.4
127.11256	0.8
135.00909	1.1
135.04517	1.7
137.02457	3.7
145.02951	1.0
151.00354	0.9
151.04051	1.1
152.01169	100.0
153.01961	36.2
153.02995	0.7
163.04028	3.0
165.01924	3.1
169.29759	0.9
171.10295	3.2
173.04570	1.4
175.04016	0.8
177.01999	0.7
179.03392	0.7
183.13831	0.9
191.05647	11.9
201.11374	34.5
211.07671	1.1
227.03479	1.2
255.03000	1.6
284.03311	1.3
285.04086	4.4
301.03638	1.4
371.24460	3.0
389.25629	13.2
429.69614	0.8
499.18411	18.7
669.30731	1.3
687.32538	90.9
688.33173	1.1
709.16980	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32729	1.0
54.04814	0.9
54.42691	0.9
55.98569	0.9
57.03461	1.2
59.01382	7.0
68.42255	1.1
70.03277	1.0
71.01370	5.8
73.02934	1.7
81.03444	1.8
83.01400	1.1
85.02959	5.0
87.04501	2.1
87.97217	1.0
89.29308	1.0
93.03445	6.1
93.46462	1.0
95.01385	1.4
99.00828	1.6
99.04498	1.3
101.02438	2.5
108.02186	86.9
109.02964	61.7
113.02448	1.8
119.05081	1.2
121.02931	8.6
123.00967	1.4
123.04516	9.1
125.02451	1.8
135.02983	1.3
135.04504	4.0
135.08113	1.3
137.02458	3.9
151.00421	1.9
151.04019	1.2
152.01173	99.2
153.01958	34.5
153.05576	8.0
161.02264	1.2
162.65047	1.0
163.04080	2.3
165.05530	1.4
165.12808	2.2
173.04576	1.6
185.11784	5.6
191.05577	6.5
198.38051	1.1
217.06804	1.1
238.67767	1.2
243.16014	5.7
285.03903	1.6
371.24362	5.7
375.27512	4.3
389.25537	31.0
389.30243	1.5
499.22052	1.3
525.19720	5.5
649.59497	1.4
687.32288	100.0
688.33124	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	687.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
58.81983	0.2
59.01382	0.3
71.01382	1.8
72.62390	0.2
72.66527	0.2
81.69086	0.3
84.92159	0.2
89.02464	0.2
99.00872	4.1
101.02438	0.9
121.02959	100.0
122.03287	1.0
137.02472	0.2
137.31927	0.2
147.03014	6.0
150.34668	0.3
190.40146	0.2
269.06708	14.9
270.07001	0.3
338.00186	0.2
440.00534	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
58.81983	0.2
59.01382	0.3
71.01382	1.8
72.62390	0.2
72.66527	0.2
81.69086	0.3
84.92159	0.2
89.02464	0.2
99.00872	4.1
101.02438	0.9
121.02959	100.0
122.03287	1.0
137.02472	0.2
137.31927	0.2
147.03014	6.0
150.34668	0.3
190.40146	0.2
269.06708	14.9
270.07001	0.3
338.00186	0.2
440.00534	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35481	4.6
61.98870	8.0
70.07345	4.6
78.88871	5.3
88.01363	4.6
90.44746	4.8
116.52464	5.3
131.43968	5.5
172.28180	5.5
185.77626	5.7
261.62469	5.2
262.74039	5.5
279.23267	5.7
410.49442	5.8
418.59579	6.3
438.13248	6.8
481.15302	90.1
495.16766	25.1
525.84674	6.0
555.18909	84.5
572.15747	32.7
641.23059	42.6
643.24066	8.3
687.23108	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	687.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
57.32376	0.7
58.00607	1.1
59.01386	3.8
71.01402	4.3
73.02946	1.6
75.00869	0.9
81.03471	1.5
85.02975	3.8
86.11559	0.8
86.15545	0.8
87.00924	0.8
87.04540	1.0
92.10190	1.6
93.03484	4.7
95.01386	1.1
95.11317	0.8
95.86729	1.0
101.02476	1.2
102.94804	0.9
108.02186	76.2
109.02969	68.7
110.03261	0.9
112.14680	0.7
113.02499	1.2
119.05090	0.8
121.02936	3.2
123.00926	1.6
123.04538	0.9
125.09747	6.0
135.00836	0.9
135.04509	1.0
137.02425	0.8
145.02969	5.0
151.04008	1.7
152.01175	100.0
153.01958	36.5
153.09261	0.8
163.04012	3.1
165.01915	1.2
171.10263	1.5
176.32689	1.0
179.03658	0.8
191.05629	9.6
195.91074	0.9
201.11371	37.9
207.03093	0.9
285.03879	1.2
288.48798	0.8
343.96640	0.9
371.24329	1.3
389.25601	5.2
406.07727	0.9
469.17444	1.5
499.18274	26.1
513.16583	1.1
588.43799	0.9
687.32446	84.9
688.32593	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	687.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	0.5
59.01387	2.7
60.99314	0.6
67.01898	2.7
68.66659	0.3
69.03452	0.4
71.01381	3.5
73.02957	0.7
81.03500	0.3
83.05036	0.6
85.02946	6.0
86.93559	0.3
87.00877	7.7
87.71640	0.3
89.02481	0.6
89.07635	0.3
92.65971	0.5
93.03459	20.8
97.02997	0.4
99.00909	0.5
101.02474	0.6
108.02199	3.5
109.02991	2.8
109.68400	0.3
111.04510	4.8
118.03014	0.5
123.04523	1.5
127.04025	1.5
133.03000	0.6
135.04532	24.4
136.01678	1.7
137.02451	1.9
151.03993	2.6
152.01183	3.3
153.01961	2.3
153.05592	2.2
155.03505	0.5
161.02457	1.7
167.03519	0.5
173.04568	25.0
179.03513	1.3
191.05638	100.0
192.06026	1.4
193.06165	0.5
197.04570	0.7
221.58357	0.4
261.09073	0.4
315.07135	2.8
341.08850	2.9
353.08871	2.4
371.09897	55.9
372.10120	1.3
452.29004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08918	0.8
56.92737	0.7
59.01389	0.8
61.98837	1.4
71.68154	0.8
81.06245	0.8
81.55824	0.9
98.98191	0.9
117.03457	11.8
119.05032	43.3
121.02982	0.8
133.02942	3.8
134.03748	1.2
135.04532	10.0
142.60429	0.9
145.02969	46.6
145.04114	1.8
150.34282	0.9
161.02448	12.3
163.04025	42.9
163.05386	1.8
179.03462	3.5
212.63121	0.8
250.04016	0.9
425.30737	5.7
485.32755	1.8
579.15240	1.0
649.37592	100.0
650.37421	1.5
679.86072	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95438	4.3
56.93569	4.0
59.01386	57.5
61.98859	27.4
63.98389	4.4
66.28539	4.4
68.63866	5.1
71.01395	23.6
75.00916	6.1
85.08853	5.6
89.02482	5.3
92.28325	5.3
93.03490	11.5
97.02951	4.9
113.22366	7.7
118.45684	5.1
121.02956	76.9
130.21777	5.1
135.04591	8.1
152.01170	6.2
153.01985	7.9
197.11896	12.4
207.10349	8.8
259.83810	6.4
334.93588	5.8
487.34808	100.0
564.22467	6.1
685.37604	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14760	0.4
53.42809	0.5
55.19259	0.5
57.03464	3.9
59.01393	32.7
61.13079	0.5
61.98857	3.1
69.03468	0.6
71.01404	2.3
71.53839	0.5
73.02988	0.6
78.95951	0.6
80.97664	0.5
83.05070	3.0
85.02991	1.2
89.02484	0.6
101.02449	0.6
113.02444	0.6
116.92908	1.1
121.02952	8.3
121.33888	0.5
135.04573	0.6
141.01744	3.8
148.08685	0.5
173.04591	0.8
191.05605	0.6
197.02258	3.4
209.11836	4.3
216.37953	0.6
239.12975	0.7
329.72144	0.6
341.24582	0.8
372.04892	0.6
381.27737	0.7
411.29239	3.7
427.28848	0.6
443.31680	3.6
469.29773	3.6
487.30746	100.0
488.31207	2.4
513.33441	0.6
522.73987	0.6
630.45343	0.6
685.33826	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	685.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76170	0.8
51.89680	0.8
53.27759	0.9
59.01409	0.9
61.98868	1.4
92.10783	2.6
92.90718	1.1
117.03487	12.1
119.05033	43.2
121.02974	1.2
129.29323	1.0
133.02975	4.7
135.04564	4.5
145.02972	55.1
147.04572	2.0
161.02457	11.4
163.04033	43.5
163.44209	1.0
179.03545	1.8
209.74498	1.0
216.79309	1.0
421.13602	1.1
425.30792	4.9
438.91211	1.1
451.30875	1.2
485.33115	1.9
582.82135	1.0
600.56812	1.2
638.33813	1.4
649.37598	100.0
650.38104	2.1
685.39771	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95695	82.4
153.50856	91.5
300.89185	90.9
494.70059	94.0
601.74823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82824	55.2
58.67512	56.0
61.61071	54.8
82.95452	100.0
110.03697	67.4
155.30772	58.5
233.48940	68.1
272.97583	71.7
598.48743	65.5
663.26709	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33231	0.5
52.42365	0.6
53.06254	0.6
55.01894	0.8
55.94026	0.7
57.03445	1.2
59.01382	15.6
61.61948	0.7
61.98851	2.8
65.03971	1.4
68.99914	0.6
69.03473	3.1
71.01389	6.7
72.99343	0.7
73.02944	0.9
74.47028	0.6
81.03481	1.4
83.56846	0.7
85.02978	3.3
85.06615	0.8
89.02486	1.7
93.03458	69.9
97.02943	1.1
97.06596	0.8
99.00861	1.5
101.02444	3.0
107.66971	0.7
108.02189	49.7
109.02973	22.2
109.06590	8.1
113.02456	1.4
119.16157	0.7
121.02962	50.7
123.08242	0.9
125.09773	2.7
135.04530	7.6
135.08173	0.9
136.05272	0.8
137.02455	100.0
138.02744	1.0
141.01773	0.8
151.11357	1.0
152.01170	45.7
153.01953	19.8
154.02357	0.8
161.09799	1.2
163.04012	2.9
163.11311	6.0
179.10762	4.7
181.12433	1.5
191.05591	0.8
197.11870	33.4
207.10339	13.5
209.11874	1.4
216.06096	0.9
221.11609	1.0
223.13339	0.8
225.11298	6.2
241.10771	1.2
251.59778	0.8
268.89725	0.8
337.78003	0.8
349.63202	0.8
463.34576	1.1
649.21472	9.3
685.17841	35.7
685.30853	38.4
686.18781	1.7
710.08521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03454	7.0
59.01108	0.6
59.01388	10.0
65.42383	0.3
68.99801	0.3
71.01385	12.5
72.99323	1.9
75.00874	22.9
83.01395	1.2
84.02171	1.6
85.02953	14.5
87.00877	10.3
89.02440	3.9
97.02930	0.6
99.00890	8.1
101.02412	2.3
105.01986	0.3
111.00919	0.5
113.53104	0.3
119.09055	0.3
121.02962	98.4
122.03345	0.4
129.01067	0.6
129.01956	13.5
135.04529	3.7
147.02968	0.3
159.03015	1.2
163.04031	0.3
166.96158	0.3
177.04068	83.2
219.85521	0.3
269.06866	0.4
299.07776	100.0
401.11258	0.4
685.25983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2724
Annotation	(+)-secoisolariciresinol diglucoside
Peak:m/z	Relative Intensity
54.82984	0.7
55.01873	0.9
57.03461	1.5
57.28319	0.7
59.01388	28.9
71.01385	14.9
72.48882	0.8
72.99313	0.9
73.02942	1.9
75.00868	6.2
83.01384	1.6
85.02950	7.5
87.00869	3.2
88.98782	0.8
89.02441	10.0
93.03465	1.7
95.01408	1.5
101.02441	9.6
104.61691	0.8
108.02191	1.4
109.02966	1.5
113.02438	5.1
114.61546	0.9
117.03539	1.2
119.03476	1.7
119.05010	1.8
121.02975	8.6
121.87165	0.7
123.04551	1.3
124.01617	3.5
129.01909	1.4
135.04533	5.6
137.02415	4.5
139.02673	0.8
149.02411	4.0
151.04007	21.9
151.54776	0.9
152.01147	1.6
153.01875	1.7
161.02403	1.0
162.03207	1.2
163.04024	56.3
164.04822	19.9
173.04393	1.1
177.01913	3.5
177.04097	6.4
177.05426	1.3
178.02672	3.7
183.13867	1.6
185.11761	1.6
191.05609	6.3
195.03018	7.8
196.03773	1.2
203.12921	1.2
207.02965	13.0
228.02609	1.0
270.02563	0.9
281.12018	1.1
299.16422	3.8
343.15479	4.0
394.35382	0.9
475.35007	0.9
478.22437	1.4
489.18021	1.1
493.16724	1.0
504.19843	1.9
507.19037	1.6
507.27905	3.4
507.35300	0.9
522.21143	13.4
537.32544	4.1
552.67529	0.8
685.26990	100.0
686.27509	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	685.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24760	0.2
54.82625	0.3
55.01882	0.5
57.03458	7.1
57.98590	0.2
58.00593	0.3
58.83529	0.2
59.01387	10.8
60.40571	0.2
63.78677	0.2
68.99823	0.4
69.03469	0.3
71.01382	12.8
72.99313	2.6
73.02970	0.3
75.00874	20.2
75.75487	0.2
83.01408	1.2
84.02180	1.2
85.02954	14.5
85.03465	0.5
87.00878	10.7
87.04517	0.4
89.02455	3.6
93.03452	0.4
97.02970	1.2
99.00880	6.4
101.02451	2.1
113.02480	0.9
117.01959	0.5
121.02966	96.8
122.03269	0.5
129.01956	13.3
135.04535	4.0
141.01933	0.3
147.02998	0.4
152.42094	0.2
159.02975	2.0
177.04068	76.0
178.27066	0.3
192.99802	0.5
202.99500	0.3
204.05119	0.3
269.06717	1.4
281.06708	0.4
299.07779	100.0
300.08173	1.2
380.27667	0.3
388.40051	0.3
401.10822	0.5
650.21405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71234	0.3
59.01387	100.0
59.52124	0.4
61.72185	0.3
62.92587	0.4
76.85606	0.4
92.10154	1.1
99.77795	0.5
109.02995	0.6
121.02935	3.7
121.66390	0.5
138.68575	0.4
139.01923	0.4
145.03008	0.7
149.02457	0.5
150.03226	0.9
159.04530	1.6
160.05286	6.6
161.06102	2.9
164.04836	0.9
168.24948	0.5
173.06073	0.6
175.07646	5.9
177.05611	2.1
178.06363	2.3
192.07887	0.9
193.08716	0.6
224.04974	0.5
228.92725	0.5
250.50786	0.5
254.89507	0.5
269.08206	8.4
281.08127	0.6
283.09793	3.5
299.09372	5.5
311.09296	8.2
314.11664	11.4
325.10727	1.7
326.11664	7.3
329.14005	47.9
330.14340	0.6
341.14026	13.7
350.99600	0.5
359.14871	1.7
387.42038	0.4
399.18066	0.5
521.08691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.5
69.03462	0.1
71.01383	0.5
73.02891	0.1
75.94534	0.1
77.03949	0.1
81.03460	0.1
82.38058	0.1
83.05021	0.3
85.02982	0.2
85.56680	0.1
87.00871	0.3
93.03448	1.5
94.11341	0.1
98.41203	0.1
108.02197	0.6
109.02952	0.6
111.04536	1.7
115.00374	0.2
121.02956	100.0
122.03288	0.8
127.04050	0.2
127.08164	0.1
129.01953	0.2
133.02954	0.3
135.04523	0.8
135.69283	0.1
137.02423	0.5
138.62402	0.1
152.01149	0.9
153.01913	0.2
155.03523	2.0
161.02431	1.5
171.73392	0.1
173.04570	4.0
179.03583	0.4
191.05608	0.2
201.11325	0.2
229.01419	0.5
253.67117	0.1
268.39499	0.1
295.08279	31.2
299.39737	0.1
335.07816	1.4
348.76050	0.1
444.11551	0.1
457.11536	1.6
463.58997	0.1
487.04459	0.2
624.97906	0.2
652.95538	0.1
685.30939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70614	0.2
54.82352	0.4
56.70395	0.3
58.67244	0.2
59.01394	100.0
64.69994	0.3
71.01412	0.3
76.57301	0.3
80.79440	0.3
93.03444	0.3
114.69220	0.3
117.03466	0.3
121.02966	5.4
125.02423	0.5
145.02971	1.6
147.04547	0.6
150.03256	0.4
150.81078	0.3
152.01178	0.5
165.29272	0.3
168.00641	0.6
175.03996	1.4
177.09573	0.3
182.79204	0.3
189.05580	0.6
190.06329	1.4
191.07158	0.8
205.08716	0.8
207.06778	0.4
208.07338	0.4
255.10251	0.8
269.08203	8.2
281.08182	1.6
283.09808	3.7
298.12369	0.4
299.09299	5.8
300.09720	0.4
311.05988	0.5
311.09338	7.5
314.11661	10.5
325.10892	1.2
326.11630	5.7
329.13980	30.4
341.13989	13.7
389.16177	5.3
563.21167	0.6
685.30670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01940	0.8
55.39109	0.7
59.01385	12.8
59.01600	0.7
59.10810	0.8
61.98858	1.8
64.72116	0.7
69.03494	1.4
71.01382	6.9
78.95936	0.9
81.03489	2.1
83.05054	0.9
85.02981	5.3
85.35903	0.7
87.00934	0.8
89.02496	1.4
93.03458	30.1
93.04005	1.4
95.01404	1.9
97.02954	0.9
99.00909	4.2
101.02483	1.7
108.02188	100.0
109.02968	41.7
109.06616	2.1
113.02487	1.4
121.02963	77.7
123.00935	1.7
125.02473	1.3
133.03012	0.9
134.03758	0.9
135.04521	16.0
136.94115	0.8
137.02457	40.1
141.01747	3.9
152.01178	100.0
153.01970	37.0
163.04066	3.2
163.11192	1.1
171.10272	1.9
175.04068	1.1
179.10771	0.9
197.11876	13.5
207.10333	6.2
225.11392	2.1
264.04648	0.9
267.29758	0.9
367.73392	0.9
405.17728	0.9
488.14398	1.1
556.29980	1.1
649.21619	5.0
685.18140	66.7
685.31000	12.3
686.18457	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	683.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	2.9
57.20473	1.5
59.01397	8.3
59.83358	1.3
71.01409	3.1
78.90405	1.6
82.47287	1.4
82.47791	1.5
89.02463	3.6
92.10743	2.0
97.06562	12.5
101.02462	1.5
113.02448	2.3
120.98712	1.6
123.08126	5.8
125.09726	100.0
169.08690	2.1
187.09784	66.3
187.11382	3.5
256.78934	2.1
277.21732	15.6
281.77661	1.6
284.39282	1.6
423.18802	10.6
536.41724	2.0
606.62457	1.7
683.40228	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10899	1.4
57.03460	3.0
59.01386	2.7
71.01385	2.4
92.10130	3.4
97.06574	22.5
101.02456	3.5
123.08192	12.9
125.09726	99.1
149.36496	1.7
156.92999	1.6
161.04526	3.2
186.37131	1.6
187.09760	40.8
198.35078	1.8
235.28300	2.0
277.21762	52.8
395.32266	1.9
405.17938	2.6
423.18704	2.9
464.46301	2.2
683.28302	3.9
683.40271	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	683.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	7.9
57.03464	2.0
59.01385	52.4
71.01382	40.2
72.99332	5.3
73.02943	11.4
75.00902	5.8
83.01425	8.7
85.02951	20.3
87.00905	5.1
88.28397	1.1
88.98840	1.4
89.02433	19.5
89.28016	1.1
93.03485	6.0
95.01411	4.8
95.82117	1.1
96.96030	6.0
99.00918	6.0
100.74548	1.3
101.02441	33.0
108.02183	20.6
109.02949	14.9
111.00931	8.7
113.02467	15.3
119.03522	6.7
119.05064	3.1
121.02988	7.4
124.01713	3.0
125.02480	6.7
133.03079	1.5
135.00954	2.2
135.04549	7.1
137.02458	2.4
145.02971	1.3
149.99654	2.9
152.01186	17.5
153.01944	13.6
153.15952	1.3
155.10770	5.4
159.03090	1.8
163.04083	2.8
165.77246	1.4
168.00696	6.7
173.04585	7.0
177.02007	8.6
183.13942	1.8
185.11832	1.4
191.05687	5.9
227.03592	1.6
266.85507	1.3
285.04092	1.6
341.26575	1.7
359.28149	11.7
373.26132	2.8
419.10339	2.8
435.09723	8.0
521.16589	4.8
521.23267	1.8
521.33380	10.0
535.31287	22.9
540.03711	1.6
683.21167	3.0
683.38892	100.0
684.39105	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	683.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	10.6
59.01387	6.8
67.24417	0.4
70.02982	8.5
70.44480	0.4
71.01386	2.0
72.00924	2.9
72.04556	1.8
72.99327	0.9
74.02475	48.9
75.00884	2.2
79.71249	0.4
83.51104	0.4
84.41352	0.4
85.02949	0.8
85.33284	0.4
87.00883	0.7
89.02475	0.5
91.01444	0.4
93.03477	2.0
93.18108	0.4
98.02482	12.5
100.74446	0.5
101.02471	0.5
116.03555	17.2
116.05062	22.9
119.05020	2.0
121.02982	5.0
130.06641	2.6
135.03020	2.3
135.04539	0.7
142.06641	6.7
147.04523	7.5
159.09317	4.8
165.05574	7.3
177.04102	0.6
179.03528	0.5
183.09285	0.9
186.05576	1.9
191.05692	4.2
201.10378	6.4
203.08305	64.3
204.08533	0.5
207.06691	3.2
245.09355	100.0
246.09682	1.0
321.24100	0.5
327.08853	0.7
683.31915	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55014	1.5
59.01382	9.5
61.98825	3.3
71.01369	3.8
73.02946	2.5
75.00848	2.1
75.67252	1.7
81.03468	1.7
83.01414	2.2
85.02950	7.8
89.02451	3.0
93.03458	2.4
95.01404	2.2
99.00902	2.0
101.02442	3.4
108.01463	3.0
108.02183	80.4
109.02965	52.3
113.02457	2.3
119.05023	3.0
121.02953	63.4
123.04539	2.6
135.04562	15.8
145.02946	2.2
152.01157	100.0
153.01970	20.8
161.04419	2.2
163.03995	8.5
163.59802	2.1
173.04529	2.2
177.01723	2.0
238.38248	1.9
288.95975	1.9
306.95923	1.9
323.25507	2.1
346.39389	2.2
367.24838	3.7
370.29510	2.1
385.25986	27.8
683.32867	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.5
57.03462	0.8
58.00619	2.1
59.01392	77.6
71.01392	48.2
71.47246	0.5
72.99328	1.1
73.02964	1.3
83.01411	1.3
85.02964	7.1
87.00908	2.8
89.02449	65.5
95.01401	1.3
101.02445	25.9
109.45523	0.6
113.02459	19.6
119.03498	24.7
131.03500	2.7
133.86101	0.5
143.03502	4.2
149.04549	1.1
161.04602	4.1
179.05640	15.8
185.78101	0.6
210.70377	0.7
216.30019	0.6
341.10938	100.0
342.11249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80877	0.2
57.03455	0.3
59.01388	4.8
61.98841	1.4
71.01372	2.6
72.99321	0.4
73.02950	0.5
76.58334	0.3
83.01398	0.3
85.02975	0.6
85.90853	0.3
92.10235	0.4
93.03471	0.6
97.02984	0.5
99.00894	0.6
101.02455	1.2
116.92883	0.3
119.05044	0.4
121.02959	100.0
125.02456	0.4
126.39523	0.3
133.06685	0.3
135.04527	10.7
137.02486	0.3
163.03967	0.5
189.05614	0.3
245.56252	0.3
341.23401	0.6
640.64844	0.3
683.19690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44845	0.4
57.03457	0.4
59.01388	2.6
62.90622	0.3
63.59403	0.3
64.43406	0.4
67.01900	4.0
69.03488	0.5
71.01062	0.4
71.01379	3.3
81.03462	0.6
83.05055	0.5
85.01884	0.4
85.02979	0.5
93.03457	23.2
103.42046	0.4
109.02947	0.7
111.00891	0.7
111.04525	5.0
121.02960	22.3
137.02463	4.9
140.66251	0.4
155.03542	3.8
173.04565	100.0
174.04889	0.4
295.08279	23.1
350.72699	0.4
407.20523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56889	0.2
51.48235	0.2
51.61504	0.2
59.01386	3.4
60.99333	0.3
61.07544	0.2
67.01903	0.6
71.01395	2.1
72.87997	0.2
73.02962	0.4
75.00899	0.3
81.03490	0.3
83.05020	0.3
85.02959	6.6
87.00880	2.6
89.02470	1.1
93.03456	8.2
95.01417	0.2
96.08316	0.2
99.00903	0.3
101.02444	0.4
105.03455	0.4
109.02969	2.0
111.00891	0.4
111.04536	1.5
113.02451	0.5
119.05090	0.2
121.02950	1.0
125.02481	0.4
127.04002	1.9
129.01987	0.3
132.53397	0.2
133.02959	5.6
134.03743	1.0
134.41745	0.3
135.04529	23.9
137.02521	0.3
137.92090	0.3
139.00403	2.1
140.01157	1.4
143.05014	1.0
147.04518	0.5
151.04051	0.3
153.01968	1.7
154.02721	1.6
155.03525	2.8
161.02455	7.2
173.04538	3.0
177.01936	0.6
179.03529	15.3
191.05640	100.0
192.05885	0.4
253.08714	2.0
255.02956	0.4
297.07581	0.4
300.02826	0.4
317.08847	0.5
331.48517	0.3
351.07217	1.1
353.08844	18.1
367.10440	0.5
373.94437	0.2
395.09915	4.3
425.11133	0.3
455.12430	0.6
515.14117	1.1
521.12885	0.4
553.99426	0.3
577.28510	0.3
683.18433	7.3
683.31348	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82818	0.3
55.01885	0.2
57.03461	0.5
58.43310	0.2
59.01387	2.3
60.99307	0.9
67.01900	2.7
69.03463	1.1
71.01382	2.3
72.91616	0.2
73.02944	0.3
75.00880	4.1
77.11407	0.2
81.03474	0.3
81.46465	0.2
83.05054	0.4
85.02950	5.5
85.03392	0.3
87.00883	3.5
89.02466	1.0
92.10870	0.5
93.03461	17.4
95.01360	0.4
99.00873	0.3
99.04522	0.5
105.03476	1.2
109.02974	1.0
110.00095	0.3
111.00872	0.4
111.04551	2.3
113.02450	0.4
115.00364	0.3
119.05035	3.8
121.02966	5.5
123.04540	0.4
127.04037	2.1
129.01970	0.4
133.02969	6.3
134.03752	0.6
135.03017	14.7
135.04543	18.2
137.02464	1.8
137.47841	0.3
139.00383	2.5
140.01143	2.1
141.02005	0.3
151.04082	0.3
153.01964	1.7
154.02687	2.0
155.03539	4.5
161.01202	0.3
161.02460	6.9
163.04037	4.4
167.03397	0.3
171.02982	0.3
173.04585	3.4
177.01945	1.1
179.03522	12.9
191.05643	100.0
192.05997	0.6
215.73750	0.2
281.06726	1.5
317.08887	3.2
318.23123	0.3
327.08859	0.5
351.07330	0.4
353.08838	23.3
367.10410	1.9
395.09927	5.3
425.10925	0.4
455.12088	1.1
515.14508	0.3
683.18439	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	683.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	4.3
71.01394	3.9
72.99327	3.0
75.00883	35.7
76.57730	0.2
80.45140	0.2
85.02936	0.3
87.00883	0.4
89.02454	7.0
93.03484	1.0
111.10235	0.2
115.00381	1.5
117.01931	2.4
117.03326	0.3
119.05030	14.9
121.02968	14.0
122.03268	0.2
135.03012	100.0
163.04022	10.7
174.11082	0.2
191.05539	0.3
204.04970	0.3
211.07666	0.4
211.66791	0.3
237.04158	0.6
237.09180	0.6
283.09665	1.9
327.08804	4.3
445.11252	1.1
465.74527	0.3
711.00458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85336	0.2
59.01405	0.2
69.61581	0.2
71.01385	17.5
75.00887	0.3
92.10128	0.4
93.03427	0.2
96.02342	0.1
97.79511	0.2
115.00378	7.9
119.05006	0.2
121.02959	100.0
122.03298	0.9
135.02986	0.3
153.06538	0.2
169.79758	0.2
173.75562	0.2
191.05591	0.3
237.04102	9.5
331.07419	0.2
350.93213	0.2
510.19379	0.2
566.90277	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.6
60.01702	0.6
61.77018	0.6
61.98836	100.0
69.99062	0.5
71.01379	0.5
71.57525	0.6
89.02481	0.6
107.91434	0.5
113.02469	0.6
135.41017	0.6
236.50885	0.7
261.66074	0.8
271.43600	0.6
272.23151	0.8
274.01968	0.7
403.67365	0.7
464.11395	0.8
474.68124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72081	0.5
54.12860	0.6
55.01873	0.7
56.33714	0.5
56.38042	0.5
57.03455	1.0
58.00600	0.6
59.01388	13.3
60.99313	23.9
67.01903	0.7
71.01382	10.8
72.99316	0.9
73.02955	3.2
75.00890	1.7
79.25311	0.7
83.01395	1.3
84.88261	0.6
85.02961	5.9
85.66748	0.7
87.00885	1.2
88.98806	100.0
89.02436	4.4
93.03469	8.8
96.96013	22.9
99.00924	1.0
101.02461	4.4
108.02202	0.7
108.77719	0.6
109.02954	2.6
111.00887	2.7
113.02455	3.7
117.03465	0.8
119.04999	4.2
121.02965	12.7
123.04571	0.9
135.04509	2.8
137.02432	10.1
145.02940	5.9
151.00273	0.9
152.01140	1.4
161.04605	4.9
163.04004	3.1
173.04539	9.1
177.04066	1.4
185.06119	0.8
188.05615	1.2
188.12010	0.7
191.05617	1.6
211.03979	0.8
211.07611	1.0
227.03584	11.0
229.05087	4.8
255.02995	21.0
256.03671	2.8
257.04575	1.0
284.03281	27.8
285.04077	27.6
345.15506	3.2
346.15982	1.5
373.26074	3.0
521.33667	1.0
593.13177	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67833	0.6
53.54225	0.7
55.01886	0.8
55.34074	0.8
57.03463	1.2
59.01395	18.8
60.99316	24.6
69.03446	0.9
70.42856	0.7
71.01392	18.2
73.02957	4.1
75.00888	4.8
83.01402	3.6
85.02974	7.5
87.00900	1.9
88.98820	100.0
89.02479	6.8
93.03481	8.8
96.96020	27.6
99.00914	1.8
101.02460	9.9
108.02158	1.1
109.03001	1.6
111.00899	3.5
111.04504	1.0
113.02464	7.0
113.79072	0.8
117.03436	1.2
119.03457	1.4
119.05022	4.9
121.02966	20.8
124.32969	0.8
128.54495	0.8
134.03749	0.9
135.00899	0.8
135.04500	2.0
137.02477	6.9
145.02959	6.4
149.06076	1.4
151.00337	3.4
152.01208	1.2
161.04555	9.9
162.04857	1.5
163.03989	4.0
173.04578	12.4
177.02615	0.9
177.04042	3.6
187.04129	0.9
188.05647	3.4
191.05676	3.9
203.37140	0.9
211.07585	1.3
222.95464	0.9
227.03503	11.3
229.05115	3.6
255.03044	19.0
257.04691	1.4
284.03281	30.3
285.04117	28.5
300.02838	1.1
319.07697	0.9
345.15732	6.7
346.15906	3.4
447.09048	1.0
521.33234	1.1
546.69189	1.0
593.13190	43.9
634.41974	0.9
639.17554	0.9
682.39313	1.4
683.35242	1.4
690.19037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	9.0
57.03461	4.7
59.01388	90.1
65.85210	2.0
66.54836	1.9
71.01383	100.0
71.01777	3.7
73.02940	26.4
78.65643	2.4
83.01408	8.9
85.02952	40.4
87.00914	3.9
89.02443	49.1
92.10855	2.6
93.03468	26.2
95.01367	6.1
97.02952	2.2
99.00909	12.4
101.02432	54.7
106.83679	2.3
111.04532	3.8
113.02454	43.6
119.03516	11.8
119.05051	2.9
121.02981	31.8
121.10235	9.8
125.02463	2.9
134.89491	2.0
135.04553	15.3
143.03557	2.8
145.02933	4.5
145.76347	2.2
155.03500	3.9
159.03024	5.1
161.04565	75.9
165.09187	3.8
170.09639	2.3
173.04530	59.6
174.04909	5.5
179.05585	2.8
188.05687	22.5
191.05597	10.8
211.07671	8.7
223.13431	5.2
233.37787	2.6
248.14032	2.5
294.09824	12.3
295.08212	15.6
327.14499	5.0
345.15616	77.1
492.86734	2.3
550.91632	2.1
574.84735	2.6
622.25012	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	681.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	8.8
61.98854	2.2
79.73099	1.2
80.35971	1.0
108.02157	1.3
112.98811	1.1
125.85632	1.2
133.02950	6.0
134.03729	9.3
135.04527	7.9
136.01666	100.0
137.02455	7.5
142.99860	1.5
151.04028	95.2
160.01756	4.5
161.02454	8.2
179.03540	1.4
193.05052	4.0
193.42632	1.3
209.81262	1.1
225.00456	1.1
267.65057	1.1
333.84586	1.1
469.33322	15.2
487.34570	1.2
529.35370	2.4
663.38763	14.5
681.40057	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4019
Annotation	Rubescensin M
Peak:m/z	Relative Intensity
59.01394	8.8
61.98854	2.2
79.73099	1.2
80.35971	1.0
108.02157	1.3
112.98811	1.1
125.85632	1.2
133.02950	6.0
134.03729	9.3
135.04527	7.9
136.01666	100.0
137.02455	7.5
142.99860	1.5
151.04028	95.2
160.01756	4.5
161.02454	8.2
179.03540	1.4
193.05052	4.0
193.42632	1.3
209.81262	1.1
225.00456	1.1
267.65057	1.1
333.84586	1.1
469.33322	15.2
487.34570	1.2
529.35370	2.4
663.38763	14.5
681.40057	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62869	0.2
54.63551	0.2
54.91299	0.2
59.01155	0.2
59.01389	2.3
63.06172	0.2
71.01395	1.5
72.99308	0.3
73.02947	0.3
74.55346	0.2
75.00877	0.4
85.02960	7.0
85.06619	0.4
87.00864	2.1
89.02457	0.4
89.18021	0.2
93.03468	4.1
96.95977	0.3
99.04567	0.3
101.02425	1.1
105.01968	0.3
107.05027	0.2
109.02950	0.9
111.04550	1.2
113.02379	0.2
115.76481	0.3
117.80181	0.2
119.05034	0.6
121.56087	0.3
121.73186	0.3
126.76510	0.3
127.04034	2.1
129.05565	0.3
131.07188	1.9
133.02997	1.7
135.03052	0.3
135.04521	3.9
161.02490	2.0
163.04077	0.5
165.04018	2.5
171.03127	0.3
173.04556	1.5
179.03506	1.7
191.05647	100.0
192.05969	2.5
193.06035	1.0
251.02609	0.3
293.12445	4.2
327.07263	1.0
353.04471	0.3
353.08856	9.4
354.09518	0.4
375.07043	1.4
681.21521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43538	0.4
54.34344	0.4
55.01905	0.5
59.01393	100.0
59.05315	0.5
60.19611	0.4
65.86485	0.4
69.03464	2.8
71.01386	25.5
72.99323	1.1
73.02951	44.2
75.00874	0.9
79.03115	0.4
81.03465	2.2
83.01397	9.9
85.02963	5.3
87.22984	0.5
89.02457	2.0
92.31007	0.6
93.03460	0.6
97.02969	2.4
99.00867	0.6
101.02446	37.4
113.02459	10.5
114.40559	0.6
121.02999	1.0
125.02451	6.3
129.02010	0.5
131.03493	2.6
137.02408	1.2
143.03511	6.1
149.04535	0.8
155.03519	4.4
161.04536	4.8
189.03877	0.6
203.05640	9.8
204.09996	0.5
241.18080	0.7
263.07809	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21665	0.6
61.54356	0.9
61.98833	100.0
66.01804	0.8
68.14301	0.7
78.95902	1.0
84.13555	0.7
97.72681	0.7
105.19736	0.8
116.24231	0.9
116.98519	0.8
140.01292	0.7
155.10698	1.0
179.75168	0.9
188.87088	0.7
194.65303	0.8
201.11336	6.0
209.11855	5.1
213.98468	0.8
255.23322	6.9
357.73822	0.9
527.48822	1.0
662.40558	1.6
680.41174	5.3
692.53540	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62877	0.1
55.76597	0.1
56.79583	0.1
61.98842	100.0
69.43413	0.1
78.95924	0.1
81.18787	0.1
87.40618	0.2
89.15923	0.2
90.35606	0.1
107.29989	0.2
119.90055	0.1
145.02986	0.5
162.53194	0.1
169.88651	0.1
193.84648	0.1
208.09573	0.2
227.75351	0.1
346.48508	0.2
580.61127	0.2
617.38086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88769	0.6
58.40616	0.5
58.43544	0.6
61.98838	100.0
63.90571	0.6
93.01652	0.8
117.03461	0.6
126.52599	0.7
141.79240	0.7
145.02975	1.1
178.88802	0.7
188.54958	0.7
200.02803	0.8
218.60939	0.7
303.22073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	100.0
75.00580	0.8
78.26280	0.9
81.02824	0.9
85.93433	0.9
120.31480	0.9
131.81639	0.9
143.65201	1.0
243.93973	0.9
350.99225	1.1
644.75928	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	100.0
82.65206	0.4
90.04564	0.4
92.10049	0.8
189.36957	0.4
258.57013	0.4
492.49747	0.5
680.40192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98844	100.0
96.33831	0.3
96.66486	0.4
102.98676	0.4
117.91364	0.3
137.13832	0.4
387.89914	0.4
477.10117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
71.44506	0.3
72.91603	0.3
77.48405	0.3
85.20409	0.3
100.05901	0.3
106.93684	0.3
112.24480	0.3
123.58235	0.3
137.51608	0.3
152.97969	0.3
381.20026	0.3
620.39600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
68.49277	0.2
94.15231	0.2
106.25326	0.2
114.27255	0.2
133.06783	0.2
147.96413	0.2
149.89420	0.2
197.14375	0.2
199.20186	0.2
246.48659	0.3
277.21649	0.3
308.38129	0.2
325.44116	0.3
400.01239	0.3
402.42526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27823	0.5
59.01395	100.0
59.10646	0.6
61.98838	1.0
72.99317	0.7
79.17538	0.6
86.22411	0.6
90.93285	0.6
92.66352	0.7
113.76070	0.6
119.05014	0.9
119.48438	0.5
135.04459	0.9
146.81328	0.7
166.80869	0.6
167.19057	0.7
174.52814	0.7
191.05623	0.8
250.05307	0.6
255.29248	0.7
453.33832	0.8
544.22321	0.8
616.94165	0.7
679.38080	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	679.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74384	0.6
54.82945	0.7
59.01388	100.0
59.32824	0.6
60.46102	0.7
61.57102	0.6
61.98843	4.0
64.34793	0.7
71.01380	11.8
72.99324	1.1
80.34142	0.7
84.18386	0.7
85.02968	1.3
85.62744	0.7
89.02438	10.6
101.02434	5.4
113.02442	3.6
119.03481	6.8
119.05024	1.5
121.02965	9.3
143.03513	1.5
145.02975	4.5
161.04584	1.3
179.05606	10.4
186.80138	0.7
191.05663	0.7
192.23312	0.7
204.60497	0.8
312.02954	0.8
380.83380	0.7
580.49060	0.8
585.37921	1.2
619.42102	4.1
679.45038	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25458	0.3
52.01004	0.3
55.86212	0.3
55.86472	0.4
59.01387	100.0
61.98826	0.7
64.38174	0.4
99.01173	0.4
149.20757	0.4
183.59329	0.5
215.83357	0.4
276.03555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	19.3
61.98862	2.9
68.71736	1.8
82.90447	2.0
82.95377	2.1
86.25423	2.2
87.12488	1.9
89.59996	1.9
92.65186	2.0
105.03573	2.2
111.94630	2.1
121.02978	3.0
132.02203	3.7
133.02946	21.7
134.03763	45.6
135.04520	30.2
149.06065	2.2
160.01694	23.6
161.02446	36.2
175.04034	18.5
179.03554	13.6
191.90857	2.0
193.05061	17.3
203.89748	2.3
229.00407	2.1
366.03842	2.6
679.38611	100.0
680.38916	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	679.386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23875	1.1
55.78497	1.1
56.43774	1.2
59.01384	2.9
63.68310	1.0
76.57500	1.2
88.10502	1.1
117.03438	1.5
121.02973	1.9
132.02217	2.2
133.02972	17.6
134.03741	35.7
135.04530	24.7
137.02426	1.7
149.06029	2.9
160.01671	18.7
161.02437	33.1
161.12509	1.3
165.01945	1.8
170.28746	1.4
175.04057	15.1
178.02773	1.8
179.03487	17.8
181.04700	1.4
193.05090	11.6
425.30478	1.4
471.34747	2.0
516.95264	1.4
555.85065	1.6
679.38629	100.0
680.39252	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	679.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15635	0.7
59.01382	6.4
61.98835	1.3
73.23646	0.7
88.98803	0.7
91.44888	0.9
92.10757	1.8
97.51908	0.8
105.03472	1.8
117.03417	1.5
121.02928	1.3
132.02159	1.4
133.02962	19.1
134.03745	34.9
134.10907	0.8
135.04539	31.9
137.02434	0.9
145.03030	0.8
147.04526	0.8
149.06084	1.4
160.00433	1.4
160.01675	21.8
161.02460	36.9
166.61375	0.8
175.04025	13.9
178.02693	3.1
179.03496	21.0
193.05078	18.0
238.15440	0.9
243.03656	1.1
270.32278	0.9
318.77142	1.0
323.05997	0.9
425.30576	1.1
485.32657	1.7
532.83331	1.0
679.38678	100.0
680.39008	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	679.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38277	0.2
57.03467	0.3
59.01379	2.3
67.01904	0.3
71.01400	1.3
72.99285	0.2
73.02943	0.4
75.00890	0.3
83.05032	0.2
85.02955	7.0
87.00878	2.7
89.02484	0.3
89.61615	0.2
93.03463	4.9
94.03812	0.2
99.04465	0.2
101.02428	0.4
105.03499	0.4
108.02209	0.5
109.02957	0.8
111.04534	1.1
115.00366	0.2
119.05045	1.2
121.02959	0.5
121.31799	0.2
127.04036	2.0
129.01967	0.3
133.02968	2.7
134.03296	0.4
135.04530	3.0
146.08270	0.3
152.01131	0.3
155.03481	0.2
157.18546	0.2
159.48123	0.2
161.02443	2.9
163.04019	1.1
171.03076	0.4
173.04559	2.3
177.02060	0.2
179.03545	2.5
180.42952	0.2
191.05643	100.0
192.06006	1.1
193.06084	0.3
209.04539	0.3
209.78192	0.2
246.89943	0.2
327.08911	0.9
337.09357	0.9
341.08890	0.5
353.08862	13.8
679.22205	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4289
Annotation	Kahiricoside III
Peak:m/z	Relative Intensity
50.15383	1.1
53.87909	0.9
59.01387	100.0
61.98844	5.8
71.01412	2.7
82.21427	1.0
89.02422	1.7
94.61856	1.1
101.02444	1.9
176.35620	1.1
196.45753	1.1
274.34232	1.2
278.22125	1.9
385.20441	1.3
447.72147	1.4
617.40643	17.1
691.05109	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	679.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46391	0.1
57.03476	0.2
57.93764	0.2
59.01390	1.5
67.01908	0.3
71.01070	0.2
71.01380	1.2
74.13493	0.1
75.22240	0.1
81.03477	0.3
82.43375	0.1
83.05025	0.2
85.02960	7.3
85.03467	0.3
87.00880	2.5
89.02448	0.2
93.03462	3.3
99.04510	0.3
101.02486	0.2
102.70661	0.2
105.03472	0.3
107.96870	0.2
108.02196	0.3
109.02947	0.7
111.04538	0.9
119.05020	0.7
121.02922	0.3
125.02377	0.2
127.04010	2.3
133.02965	2.6
134.03319	0.7
135.04529	2.2
135.79085	0.1
137.02489	0.1
147.44452	0.1
152.01155	0.7
153.01936	0.3
155.03510	0.2
161.02460	2.6
163.03996	0.3
171.03008	0.3
173.04565	1.5
177.02039	0.2
179.03505	1.9
191.05638	100.0
192.05933	0.9
327.08728	0.2
337.09497	0.3
341.08963	0.7
351.07059	0.2
352.07703	0.3
353.08823	11.8
469.75626	0.2
679.22473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29261	15.1
59.01399	69.0
61.98855	17.6
68.20658	16.0
72.92657	14.5
121.02941	90.7
145.90343	18.8
150.06889	18.8
173.04590	21.4
379.52539	19.0
435.21829	22.8
479.37491	72.4
677.40393	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	677.4284
Annotation	Cumingianoside F
Peak:m/z	Relative Intensity
56.54930	0.2
59.01397	100.0
68.02194	0.3
68.47696	0.2
71.01398	5.8
71.31160	0.2
73.65202	0.3
75.18092	0.3
77.59589	0.3
82.95427	0.5
83.71628	0.2
85.02945	0.5
88.89513	0.3
89.02449	7.5
101.02428	2.4
108.98519	0.3
113.02483	2.3
118.20923	0.3
119.03513	3.4
125.09443	0.3
131.03496	0.3
134.03764	0.4
136.57420	0.3
143.03487	0.6
145.02905	0.5
149.04515	0.5
161.04619	0.7
179.05626	5.7
193.05090	0.4
253.07266	0.3
266.53683	0.3
343.55719	0.3
453.30762	0.4
617.40741	2.0
677.43378	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	677.428
Annotation	Kahiricoside III
Peak:m/z	Relative Intensity
59.01386	100.0
61.59237	1.3
61.98845	2.1
67.43726	1.5
68.56522	1.4
71.01389	1.6
78.95905	3.0
92.10461	1.8
101.02489	3.5
114.38712	1.5
131.03468	2.4
145.03003	3.0
152.99625	1.7
271.30496	1.7
295.62546	1.6
617.40875	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	677.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01138	0.3
58.02985	11.4
59.01395	0.6
63.34663	0.3
63.43627	0.3
69.14375	0.3
70.02985	8.1
71.01400	0.6
72.00916	4.3
72.04560	1.6
74.02477	48.8
85.02975	0.3
93.03464	0.6
96.95995	0.4
98.02480	12.8
116.03563	15.9
116.05070	20.4
121.02967	1.6
130.06622	2.3
135.04535	0.7
137.02455	0.6
142.06645	5.8
159.09277	6.1
161.04703	0.3
165.01976	0.5
175.00787	0.3
179.03409	0.4
181.10675	0.4
183.09221	1.3
186.05646	1.3
191.05666	1.8
201.10359	5.5
203.08308	57.7
204.08672	2.4
205.08853	0.4
233.49695	0.4
245.09346	100.0
246.09692	3.7
247.09796	0.7
289.08344	0.4
294.01694	0.3
296.90732	0.3
341.46487	0.3
347.67429	0.4
370.00369	0.3
495.55096	0.4
655.08447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	1.3
57.87844	0.7
58.00628	0.8
59.01394	27.3
63.37540	0.6
67.01608	0.6
67.01918	5.0
71.01398	16.5
72.99326	1.3
73.02953	0.9
74.85881	0.5
75.00887	1.5
81.03461	0.9
83.01382	1.0
83.76929	0.8
85.02956	14.4
87.00902	5.0
89.02453	15.5
90.48831	0.7
92.10741	1.5
92.65882	0.8
93.03462	35.5
95.01405	1.0
95.48375	0.7
96.96033	1.8
99.04557	0.8
101.02448	9.2
107.05062	1.2
109.02988	3.3
111.00867	1.2
111.04521	7.0
113.02460	4.4
119.03497	4.7
119.05047	3.5
121.02967	26.4
122.03331	7.2
123.04556	1.1
127.04019	4.1
133.02962	8.4
134.03764	3.4
135.04544	86.1
137.02464	7.5
151.23798	0.8
155.03531	6.3
161.02460	5.4
163.04022	1.1
172.68388	0.7
173.04573	100.0
174.04999	1.3
177.01930	1.1
179.03525	61.5
191.05647	76.5
192.05972	4.2
193.06094	1.4
269.06735	4.1
270.07028	0.9
289.07190	1.8
317.25366	0.7
323.13528	35.0
328.09058	0.9
351.07260	1.2
353.08838	65.9
354.09064	0.8
354.94382	0.7
405.03879	0.7
440.30246	0.7
498.11725	0.9
544.36694	0.8
677.19995	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	676.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03482	0.1
59.01385	1.7
61.98838	100.0
71.01398	0.9
73.02935	0.2
74.53976	0.2
75.00924	0.2
75.15695	0.1
78.98592	0.2
85.02950	0.9
87.00881	0.2
89.02471	0.3
90.68126	0.2
93.03455	0.9
96.96008	1.9
97.12222	0.2
101.02472	0.4
109.02964	0.8
113.02417	0.3
117.03453	5.6
119.03576	0.2
119.05016	1.0
121.02961	0.4
121.19436	0.2
130.51308	0.2
135.03020	0.3
145.02966	19.8
153.01923	1.0
154.29973	0.2
162.17377	0.2
163.03987	0.5
173.04495	0.3
191.05684	1.6
284.03073	0.3
307.08252	0.4
366.05209	0.2
383.11902	0.2
425.33603	0.2
613.17664	3.0
675.35040	0.2
676.19916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01103	0.1
52.50698	0.1
59.01382	1.0
60.10587	0.1
61.98838	100.0
71.01388	0.2
72.62411	0.1
73.02953	0.1
75.00873	0.2
79.14867	0.1
82.95389	0.1
85.02959	0.1
87.00886	0.3
89.72858	0.1
93.03441	0.2
96.96975	0.1
101.02423	0.2
117.03490	2.8
118.03807	0.6
119.05003	0.3
121.03001	0.2
124.06629	0.2
145.02972	9.5
146.03299	2.3
147.03549	0.7
155.70442	0.2
191.05673	0.3
502.35373	0.2
613.17731	1.0
615.18341	0.2
616.18762	0.3
675.35883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03482	2.0
59.01391	22.8
61.59287	1.7
61.98862	4.2
64.95033	1.5
71.01375	13.9
80.27913	1.7
83.01414	2.4
83.05056	2.6
83.95967	2.0
85.02972	7.9
87.00864	3.6
89.02470	8.2
93.03460	17.0
101.02481	8.0
105.17065	2.2
107.01408	2.5
109.02964	2.7
113.02554	1.9
116.92886	3.5
117.03490	3.8
119.05029	2.3
121.02962	15.9
124.49965	1.8
134.03731	3.0
135.00951	2.1
135.04529	2.9
137.02431	4.8
140.99210	1.7
143.05057	3.1
145.02945	2.3
151.00377	3.9
159.04507	1.9
161.09744	4.2
161.71863	2.0
163.00320	3.0
169.06567	1.8
173.04602	4.3
175.07539	2.2
185.06163	2.6
187.04022	8.6
191.05679	4.1
205.08730	3.2
208.87106	1.9
209.11856	3.3
211.04024	8.0
211.07686	4.1
213.05565	3.2
221.08195	8.5
227.03546	41.6
229.05110	23.2
239.03639	3.9
239.10832	2.2
255.03024	95.2
256.03809	2.9
257.04590	10.9
283.02512	16.6
284.03317	86.7
285.04074	100.0
435.59930	2.5
463.09109	2.3
531.11157	2.1
543.17078	4.3
583.23773	2.3
617.14948	2.7
635.16486	9.1
677.16925	61.3
677.34406	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.36
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01409	73.4
61.98848	21.6
62.07994	13.5
71.01408	29.3
78.95918	23.6
89.02485	18.0
101.02501	27.8
135.99153	15.8
176.98907	14.3
207.08032	14.6
224.86740	15.4
239.70642	15.3
247.48840	16.8
277.21844	100.0
291.19366	19.7
397.13525	64.9
415.14542	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65565	0.5
59.01384	5.3
61.98839	100.0
66.09954	0.5
66.23531	0.5
69.50233	0.4
71.01402	1.2
75.00879	1.0
78.95908	0.6
85.02951	0.8
93.03493	1.2
96.96013	5.0
101.02472	0.7
109.02975	2.5
117.03470	5.4
119.05051	1.2
121.02960	2.3
122.03860	0.6
125.02446	1.2
129.26967	0.6
135.03032	1.0
145.02971	20.9
149.02464	2.5
150.03076	0.9
153.01955	2.6
155.10825	0.7
165.05699	0.7
173.04578	0.8
191.05627	5.1
191.70557	0.7
203.08319	0.6
242.71437	0.6
245.09337	0.9
285.04007	1.3
301.10672	0.8
302.11356	0.8
508.59091	0.6
613.18347	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	675.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20579	7.1
57.51953	7.3
59.01385	62.0
62.81683	9.0
71.01414	35.1
76.66711	8.2
83.01425	9.3
87.00899	9.6
89.02458	9.4
93.03466	15.8
97.96362	9.1
107.59081	8.0
109.06609	9.7
116.92824	15.4
118.66283	9.4
119.52228	10.0
119.89633	9.1
121.02991	56.1
126.39170	8.3
165.12781	10.5
171.10320	59.4
183.13937	41.1
197.11856	100.0
207.10271	39.2
207.62534	9.6
209.11906	44.4
211.13489	16.0
225.11453	12.5
229.14368	10.5
253.09422	11.8
373.26053	14.2
394.91089	9.2
440.41525	9.4
565.15143	9.8
675.32605	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	675.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65424	0.9
55.01887	1.8
55.24535	0.9
57.03455	1.4
59.01386	64.1
61.98833	2.8
62.57391	1.0
68.58128	1.0
69.03445	1.1
71.01384	35.0
72.99316	1.8
73.02962	5.3
78.95911	1.4
80.17370	1.0
83.01398	2.0
85.02953	9.6
87.00896	5.7
89.02444	31.1
95.01385	1.8
97.02974	5.6
99.00899	1.1
101.02450	22.6
111.04523	1.8
113.02448	14.6
119.03506	11.1
125.02459	7.5
125.84235	1.4
141.01743	1.9
143.03531	2.5
161.04578	6.2
174.57784	1.2
179.05537	2.6
192.81903	1.1
235.08208	10.5
253.09328	1.9
273.02362	1.3
277.21744	100.0
278.21945	1.3
305.08868	1.6
397.13559	62.1
398.13779	1.4
415.14679	25.9
631.21515	1.4
641.15381	1.2
647.15802	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53560	1.6
59.01386	9.1
60.79185	2.0
101.02473	2.8
128.64738	2.3
191.05640	3.8
197.71153	2.3
293.46738	2.4
469.29843	39.9
492.50336	2.6
627.28741	57.4
645.29443	4.9
675.30750	100.0
676.31396	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	675.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00642	0.2
58.02982	11.7
58.29208	0.2
58.33590	0.2
59.01377	0.3
66.85947	0.2
70.02983	7.6
72.00910	3.0
72.04540	2.1
74.02473	48.3
88.10922	0.3
92.10827	0.5
93.03425	0.3
96.49148	0.2
98.02477	12.5
114.87524	0.2
116.02709	0.4
116.03549	15.6
116.05061	22.2
121.02968	0.6
129.05907	0.4
130.06644	2.3
142.06622	4.2
152.01184	0.3
157.07547	0.2
159.09280	5.0
183.09262	1.2
186.05582	1.2
191.05605	1.8
201.10374	4.2
203.08298	57.7
204.08612	0.5
245.09338	100.0
246.09589	1.4
289.08405	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40288	0.1
56.65767	0.1
59.01394	1.4
67.01881	0.2
71.01376	1.5
73.02950	3.2
80.67953	0.1
81.03467	0.2
85.02956	2.7
86.54706	0.1
87.00889	1.5
89.02456	0.7
92.65369	0.1
93.03462	3.1
96.96034	0.3
99.00913	0.2
100.51519	0.1
101.02459	0.9
103.04034	0.3
105.09122	0.1
109.02995	0.3
111.04556	0.3
114.38130	0.2
118.58055	0.2
119.03514	0.4
119.05042	1.9
121.02962	100.0
122.03278	0.2
127.04005	0.4
133.02974	1.0
137.02443	0.9
143.05080	0.3
147.02977	0.2
163.04068	1.7
167.12323	0.2
173.04565	2.6
191.05643	20.9
192.05843	0.2
201.73642	0.2
211.07730	0.3
235.07674	0.2
237.09270	0.2
265.08771	0.8
269.06714	15.8
283.09723	0.2
285.18930	0.1
293.12515	0.3
304.58771	0.2
321.11398	0.2
327.08746	2.5
351.07327	0.3
466.79593	0.2
472.90063	0.1
501.14218	0.6
503.31836	0.2
537.14264	0.2
675.19623	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	675.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99216	0.9
57.03462	5.7
59.01390	20.6
67.01933	1.4
69.03473	2.4
70.86094	1.0
71.01389	16.3
72.99303	1.9
73.02946	4.4
74.02486	1.1
75.00858	17.7
79.81271	1.1
81.03468	1.7
83.01373	1.4
83.05053	1.2
85.02959	16.5
87.00884	7.9
87.04532	8.0
88.83051	1.1
89.02457	4.8
93.03471	9.7
95.01380	2.6
96.96005	10.7
97.02959	2.4
98.37576	1.0
99.00884	5.1
99.04523	1.1
101.02460	4.8
107.04981	1.2
108.02187	68.2
108.02908	2.6
109.02219	2.3
109.02968	62.9
111.00858	1.6
113.02383	1.1
119.05040	6.2
121.02967	10.3
123.00871	1.8
123.04543	1.6
124.01672	1.5
125.02460	6.3
129.01971	7.7
135.02992	1.8
135.04547	4.7
137.02460	2.3
137.09721	10.6
145.02971	1.2
149.99599	2.7
151.04042	1.9
152.01180	89.3
153.01958	41.1
155.10805	45.6
163.04050	5.8
165.01978	1.5
167.03555	1.3
167.10663	1.4
168.00667	8.3
169.01443	1.6
169.12354	2.4
173.04561	4.8
175.03999	1.5
177.04117	15.2
179.10800	2.7
181.08698	2.5
190.05049	1.2
191.05635	20.7
191.10828	1.4
195.10338	1.7
199.09811	15.2
203.08298	1.3
203.12831	1.3
213.11443	1.2
241.10899	5.7
245.09335	2.0
255.03011	1.7
255.12469	1.5
268.66077	1.4
283.11835	2.2
284.03256	1.6
285.03986	1.7
447.09363	1.5
453.17575	4.7
497.16675	13.7
510.70938	1.4
539.18085	1.8
631.22290	11.8
657.20386	14.7
675.21454	100.0
676.21539	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	675.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.6
62.05982	0.2
65.57571	0.2
67.01911	1.5
69.03463	0.4
71.01395	1.8
73.02962	0.5
81.03481	0.2
83.05038	0.4
85.02960	13.4
85.03463	0.5
87.00883	3.3
89.02448	0.2
93.03458	11.2
99.00877	0.4
99.04521	0.5
101.02512	0.4
101.46864	0.2
109.02972	1.5
110.73241	0.2
111.04527	3.0
113.02472	0.4
115.00371	0.3
119.05030	9.2
121.03007	0.3
123.04526	0.4
127.04020	2.7
129.01971	0.4
133.02948	0.3
134.03699	0.3
135.03029	0.4
135.04565	0.4
137.02464	0.9
143.05028	0.4
148.76566	0.3
155.03523	1.0
161.04752	0.3
163.04019	5.1
171.03018	0.9
173.04562	5.8
191.05647	100.0
192.06053	0.5
211.07648	1.3
223.07838	0.3
237.09311	0.6
265.08783	0.5
283.09827	1.2
289.07327	0.3
307.13934	0.4
327.08804	4.9
337.09195	0.3
501.14127	3.3
675.19421	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	675.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07750	0.3
59.01390	2.4
60.99319	0.3
67.01905	1.5
71.01384	2.6
73.02956	0.5
76.54693	0.3
78.95917	0.5
81.03467	0.7
83.05029	1.2
85.02953	13.5
87.00869	4.9
87.01310	0.4
89.02444	0.4
92.10864	0.5
92.65203	0.3
93.03456	15.5
101.02428	0.4
108.02163	0.4
109.02979	0.7
111.04528	2.7
115.00385	0.4
119.05043	3.6
127.04023	3.1
129.01932	0.3
131.05019	0.8
133.03011	0.4
137.02469	0.6
143.05045	2.6
145.02998	0.5
155.03560	0.7
163.04037	2.1
171.03055	0.5
173.04559	6.7
191.05634	100.0
192.05992	0.4
211.07675	3.1
235.07599	0.6
237.09261	1.3
265.08688	4.0
278.43823	0.3
283.09845	0.5
309.07809	1.2
319.01419	0.3
327.08801	10.4
333.12289	0.9
365.39877	0.3
374.85791	0.4
425.30762	0.4
501.14478	3.1
675.19446	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	7.4
59.01376	5.4
59.09882	0.7
60.02908	0.6
69.03460	100.0
71.01376	7.3
72.99323	1.4
73.02950	0.9
74.27373	0.7
75.07789	0.6
79.01915	1.2
85.02980	4.7
87.00888	1.2
89.02481	0.9
92.53014	0.8
93.03456	18.8
95.01392	1.1
96.96024	5.0
97.02951	20.2
99.00885	28.1
101.02448	0.9
102.91283	0.8
108.02200	1.3
109.02906	1.0
115.00392	3.0
119.05023	21.4
121.02963	22.0
121.03759	1.5
132.05840	0.9
133.32648	0.9
135.02983	3.4
137.02449	15.4
141.01976	8.5
143.04997	0.9
152.01163	1.4
153.01958	0.8
163.04018	17.6
173.04509	3.1
175.35368	0.9
185.00938	37.4
189.68187	0.8
191.05640	25.2
202.27533	0.8
202.61217	0.7
211.07637	1.3
237.04057	1.1
237.09204	1.0
265.08615	1.4
283.09628	1.2
307.04684	42.0
327.08749	16.9
675.19745	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	675.194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84845	0.2
57.03459	0.4
59.01396	1.5
59.63409	0.2
60.99319	0.4
61.32074	0.3
67.01897	2.2
69.03471	0.4
71.01392	1.5
74.45930	0.3
81.03489	0.6
83.05050	0.6
84.22622	0.3
84.40847	0.2
85.02954	9.6
85.03455	0.3
87.00874	5.1
87.01301	0.3
92.10793	0.8
93.03461	16.3
98.16132	0.3
99.00877	0.3
109.02988	0.6
111.04530	4.0
112.20076	0.3
115.00473	0.3
119.05031	5.2
122.94002	0.3
127.04025	2.2
129.01965	0.5
143.05072	0.7
145.02959	0.5
155.03537	0.4
160.59113	0.3
163.04037	3.9
171.03003	0.5
173.04572	7.7
191.05641	100.0
192.06049	0.5
211.07642	2.9
237.09296	0.5
265.08731	1.7
309.07791	0.4
327.08755	3.4
329.78387	0.3
337.09378	7.1
483.12402	0.4
675.19476	18.7
676.20123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97091	0.4
57.03469	2.2
59.01390	5.6
69.03484	1.1
71.01393	4.4
73.02950	0.9
75.00861	0.9
78.32841	0.5
81.03480	2.3
83.05077	0.6
85.02959	4.9
88.98826	1.0
89.02454	0.9
93.03471	4.2
95.01417	2.5
96.96001	4.8
101.02464	1.3
103.00358	0.6
108.02189	84.9
109.02966	70.2
109.04072	0.9
113.02469	2.4
119.05074	2.5
121.02949	5.3
123.00909	3.2
123.04513	0.8
123.08160	0.9
125.02442	1.0
133.02977	1.1
135.00957	0.6
135.04556	2.1
137.02472	0.9
139.11276	1.0
141.09229	0.5
145.03036	0.8
150.06877	0.8
151.03984	0.7
152.01172	97.4
153.01959	36.8
155.10777	0.8
163.04016	2.2
165.01952	1.1
165.12859	2.2
169.12352	4.0
171.10225	3.3
173.04518	3.0
179.03627	0.5
183.10368	0.7
185.11859	1.0
191.05659	3.0
209.11867	2.2
227.13069	0.8
257.12912	0.8
285.04074	2.7
301.11966	0.9
315.07364	1.3
329.23370	0.8
357.26608	1.0
375.27573	27.9
493.25320	0.5
511.36496	1.3
525.19965	3.4
559.11328	0.6
597.77905	0.8
673.34607	100.0
674.35101	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	673.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.7
61.98838	2.6
66.83635	1.3
66.90739	1.0
67.94765	1.0
71.01379	8.9
73.02963	2.8
78.95942	1.1
81.03455	1.1
83.05034	5.0
85.02952	1.7
88.13620	1.0
88.30515	1.1
89.02493	2.3
90.77200	1.4
91.01915	5.5
93.03496	2.5
96.96015	32.3
96.96980	2.2
97.02941	1.3
99.00905	1.1
101.02438	5.7
108.02207	6.8
109.03018	1.7
113.02498	2.0
119.04973	1.1
121.02933	7.9
134.03777	1.6
134.68849	1.1
135.00899	6.8
135.04550	2.3
137.02440	2.5
149.06024	1.2
152.01141	2.1
153.01724	1.2
161.04562	1.9
163.11288	2.3
165.12857	7.6
171.10237	1.4
173.04587	2.4
175.03947	1.7
181.12352	2.0
183.13910	100.0
184.14116	1.3
185.07225	1.3
193.04868	1.3
194.31776	1.1
199.13510	1.6
207.10133	1.8
209.11865	52.6
211.13490	2.3
211.77991	1.5
216.62914	1.2
225.11298	2.1
227.12938	12.3
230.05788	1.2
235.08217	1.8
243.06631	16.5
244.07010	11.4
245.07188	4.4
253.09338	5.7
290.87335	1.3
355.87045	1.1
419.02911	1.4
463.21802	2.3
492.05090	1.1
637.32556	1.2
655.32959	1.6
673.34509	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68969	0.3
55.01899	0.3
55.21213	0.3
55.83838	0.3
56.97028	0.3
59.01381	2.5
63.48034	0.3
71.01401	1.6
73.02943	0.4
76.82475	0.3
80.02689	1.4
81.03467	0.7
83.05038	4.8
84.02183	1.5
85.02985	0.3
89.02464	1.5
92.66050	0.3
95.05041	0.4
101.02470	2.4
113.02464	0.6
121.02905	0.3
135.08208	0.6
142.14493	0.3
147.11842	0.5
163.11276	4.6
165.12834	3.1
171.10260	0.3
181.12369	0.8
191.10809	0.8
209.11862	100.0
210.12207	0.7
227.12909	9.2
235.08250	1.2
239.48529	0.3
247.13443	0.4
253.09300	3.7
328.63388	0.4
547.74255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
59.01389	7.1
61.98837	1.2
69.03469	1.2
71.01381	7.6
73.02964	4.0
75.00871	1.7
76.57951	0.8
81.03464	1.9
83.01367	1.4
85.02936	8.4
87.00855	1.7
89.02457	1.8
92.42667	0.9
93.03464	7.5
95.01385	1.1
96.96053	1.4
99.00872	1.8
99.04532	1.8
101.02464	1.7
107.05065	1.1
108.02184	77.3
109.02964	66.0
109.73805	1.0
111.20267	0.9
113.02467	2.3
116.92888	1.0
117.09309	1.1
119.05060	1.5
121.02970	7.8
121.35409	0.9
123.00882	1.6
123.04536	7.8
125.02458	1.8
135.04523	4.6
137.02458	4.2
150.06845	1.1
151.04008	1.1
152.01167	83.1
152.07181	1.2
153.00681	1.4
153.01952	35.5
153.05592	4.4
161.02542	1.3
163.04042	1.9
173.04515	4.3
173.06013	1.4
175.03983	1.9
176.04762	1.0
177.04036	1.1
187.07622	1.8
191.05627	7.1
201.11382	1.9
202.06418	1.1
205.08754	4.6
209.11845	11.5
217.08784	1.4
217.52423	0.9
257.08224	1.6
257.39374	1.2
317.10364	7.6
357.26526	3.9
373.26547	1.2
375.27560	37.5
511.25900	2.1
538.01727	1.1
544.56244	1.4
587.65411	1.1
673.34503	100.0
674.35358	2.1
687.38306	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76703	1.4
55.01898	11.3
57.03466	3.6
58.00598	1.9
59.01102	3.4
59.01381	39.8
59.01649	1.8
59.31134	1.4
71.01385	61.9
72.99298	2.2
73.02944	31.2
78.99928	1.6
82.36014	1.5
83.01385	17.4
85.02953	53.0
85.03461	1.9
87.00908	3.1
89.02441	1.9
93.03461	3.5
95.01400	3.7
99.00897	11.3
101.02447	57.0
107.05038	1.8
113.02454	29.0
114.72562	1.8
133.02988	6.5
135.04546	3.3
143.28813	1.6
146.02513	2.6
159.03006	1.7
161.02469	2.6
161.04575	24.2
173.04630	2.8
175.88884	1.6
177.04205	1.6
191.05638	78.8
192.06001	9.6
207.99040	2.1
269.10388	19.2
275.06799	2.9
308.54218	1.7
313.09344	100.0
351.07285	2.6
353.08856	3.2
358.11768	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14606	0.2
59.01391	4.1
65.03989	1.1
66.04301	0.2
67.01905	0.7
68.77504	0.2
70.57846	0.2
71.01389	2.2
73.02967	0.4
77.74488	0.2
78.77596	0.1
80.02689	1.3
81.03468	1.3
83.01398	0.3
83.05038	4.9
83.05533	0.2
84.02171	1.3
85.02961	0.6
87.00898	0.4
89.02454	1.8
91.01899	7.5
92.02239	2.9
92.10757	0.6
93.03471	0.4
95.05039	0.9
97.06583	0.2
99.00874	0.2
101.02459	2.0
109.02966	9.3
109.03688	0.3
109.06598	0.2
110.03310	2.5
111.03441	0.3
111.08228	0.2
113.02464	1.2
119.03486	0.2
119.05019	0.2
121.02950	2.8
122.03319	0.3
122.06100	0.2
124.70963	0.2
125.02482	0.3
125.06084	0.7
127.04023	0.2
135.00899	17.9
135.04517	1.0
135.08183	0.8
136.01225	6.5
137.01393	2.0
137.02393	0.3
140.67790	0.2
152.07179	0.3
153.01950	20.1
154.02293	7.4
155.02406	2.8
161.04576	0.4
163.11311	4.8
165.12863	3.1
171.10265	0.8
179.05620	0.3
179.84793	0.2
181.12419	0.7
185.11670	0.2
191.05643	0.3
191.10815	1.2
199.13341	0.3
209.11873	100.0
210.12152	1.0
227.03558	0.4
227.12932	10.7
235.08255	0.8
243.06772	0.2
247.13412	0.3
253.09329	5.0
255.03072	0.8
284.03189	0.7
285.04050	1.1
316.04153	0.2
374.85736	0.2
379.80435	0.2
393.26678	0.2
425.90976	0.2
445.20813	0.3
565.14703	0.2
565.24554	0.2
609.23761	0.2
631.83850	0.2
635.14258	0.3
641.26776	0.7
673.33331	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91141	2.1
55.01895	2.6
57.03466	10.5
58.00629	3.2
59.01390	23.5
61.98841	11.1
67.01883	3.0
69.03467	10.5
70.39651	2.4
71.01379	19.5
71.05025	2.2
73.02962	5.4
75.00871	3.6
81.03482	3.3
83.01402	20.6
83.05038	11.9
85.02972	17.5
87.00903	5.6
89.02468	5.0
93.03469	9.3
95.01411	9.1
95.05067	12.8
96.96008	2.9
97.02956	15.5
99.04524	3.1
99.14449	2.1
101.02467	14.3
107.18345	2.3
108.02189	4.5
109.02982	16.2
111.00904	5.1
111.04547	5.8
113.02465	20.6
115.04039	3.2
121.02947	56.0
123.04524	12.8
125.02414	4.6
127.04015	20.2
133.02982	3.2
135.04532	21.8
135.36079	2.2
136.02080	2.6
137.02449	10.1
139.04045	23.5
145.02968	2.7
146.03789	3.3
151.07701	2.8
153.01932	12.2
153.05544	3.0
159.04532	3.6
161.02464	4.0
163.11363	3.5
165.01990	4.2
165.12854	5.7
168.12172	2.3
171.10240	2.5
172.05316	16.9
173.04674	2.9
173.06096	11.2
175.04051	10.2
176.04829	21.9
177.09349	3.3
186.06876	3.2
187.03987	11.2
187.07671	76.7
189.05571	10.1
189.09154	3.5
191.05705	4.8
197.06075	3.2
199.04050	15.2
199.13411	10.1
200.04839	4.3
201.05598	13.3
201.09262	21.3
201.11113	2.9
202.06384	26.9
205.08727	25.6
209.11855	100.0
211.07704	9.6
213.09219	10.1
213.28964	2.6
214.06381	5.4
215.07120	21.2
216.07927	5.0
225.05550	3.5
227.03525	15.7
227.07146	3.6
227.12929	37.4
228.04352	8.3
228.08026	3.3
229.08711	32.0
231.10330	34.8
239.07170	5.6
240.08046	2.6
241.08788	4.2
243.06670	3.1
243.10428	3.6
245.43507	2.8
246.05345	3.1
253.08910	11.5
257.08209	37.3
271.09866	5.5
281.11786	3.4
283.09869	5.0
285.11328	4.5
297.11395	9.0
309.11313	13.1
310.89368	2.8
311.09387	4.7
315.12463	2.9
317.10748	2.8
327.12427	23.4
329.10541	3.4
359.11148	3.6
371.11481	27.3
380.15631	2.6
467.11847	11.9
496.96100	2.7
593.20636	12.4
595.18463	2.7
629.36255	2.8
637.32941	3.8
655.20721	3.1
672.35706	2.8
673.32758	9.2
673.42670	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	671.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74723	20.5
58.78512	18.9
59.01401	100.0
61.98854	84.9
64.19155	18.2
66.48654	17.7
73.34429	21.4
75.06927	19.3
84.26659	19.6
85.48505	19.0
114.58089	22.7
114.99185	20.7
121.02957	30.2
168.97162	23.2
178.42041	26.1
207.10304	29.8
209.11861	83.7
212.09456	20.4
292.03409	20.9
403.94983	22.0
489.34903	35.7
550.71680	24.7
671.39880	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	673.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28607	11.8
56.24339	11.2
56.94348	11.4
59.01394	17.9
61.89010	10.6
61.98843	100.0
64.09905	12.0
71.01389	13.3
72.13288	13.3
78.95945	20.7
93.59348	12.1
152.99525	15.4
171.10246	17.4
209.11868	30.7
211.13423	26.9
218.04909	13.6
223.13374	51.1
266.24167	15.4
447.94403	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	671.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	26.1
59.18041	15.0
61.98842	75.2
62.42667	11.3
66.28741	10.8
66.46021	11.4
82.81743	15.1
117.03439	17.0
119.05037	69.0
121.02973	85.9
145.02982	86.5
224.08295	14.0
274.17834	14.9
461.51471	14.5
617.38715	23.7
635.39301	100.0
671.36316	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30192	3.8
54.18822	4.3
61.74639	4.8
63.61658	4.1
66.39762	4.1
81.53864	4.3
92.10094	11.7
105.97415	4.2
108.84512	4.4
117.03481	20.0
119.05038	23.0
121.02952	43.1
135.53592	5.1
145.02965	100.0
149.68709	4.4
178.65909	4.7
193.42517	5.0
241.30516	5.3
326.84924	4.8
363.09543	5.7
426.74246	4.9
617.38440	47.6
633.38208	37.5
635.39905	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	19.9
61.98858	23.0
71.01392	9.8
74.40575	2.4
83.05035	3.9
85.00945	2.0
85.02927	3.1
87.00910	4.1
89.02445	3.8
92.09989	2.4
93.03497	2.6
97.02952	4.1
99.00901	2.0
101.02471	8.7
102.08020	1.9
109.06596	23.1
113.02474	2.5
121.02967	2.6
135.04509	2.8
137.90198	2.6
139.04036	2.5
161.06052	2.4
163.11325	12.0
165.12834	14.0
183.13927	100.0
190.39662	2.3
207.10301	52.6
209.11871	10.3
210.99789	2.3
211.13419	2.3
225.11380	21.0
227.12923	5.4
253.09312	3.0
317.74298	2.5
373.23987	3.7
436.96609	2.4
450.92880	2.8
461.20190	3.3
653.31702	5.0
671.33044	84.2
691.15369	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	671.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07516	0.5
54.15584	0.6
55.01858	0.6
57.03447	0.9
59.01384	2.7
61.98839	1.4
64.30181	0.6
69.03458	0.9
70.69714	0.5
71.01389	3.5
73.02966	1.0
78.68779	0.6
81.03479	2.7
81.88637	0.7
83.05090	0.7
85.02950	3.8
90.56062	0.7
93.03454	3.8
95.01340	2.2
101.02411	1.2
108.02180	80.0
109.02962	70.0
113.02443	0.7
119.05023	0.8
121.02961	7.2
123.00877	2.7
123.04499	2.8
125.02431	0.9
135.00835	1.0
135.04533	1.3
137.02437	2.9
139.11230	0.6
141.12822	0.8
151.04001	1.2
152.01163	95.3
153.01941	41.1
154.18744	0.8
163.04016	2.9
165.01921	1.1
171.10204	1.0
173.04530	1.1
177.02002	0.7
182.74309	0.7
185.11813	1.4
191.05568	0.9
193.04961	0.8
198.86084	0.6
201.11374	1.0
202.98369	0.7
215.12907	3.4
305.55212	0.7
324.09247	0.6
343.24939	4.7
355.24878	3.1
371.24234	0.7
373.25989	32.2
375.14511	2.9
399.06049	0.7
671.32965	100.0
672.33337	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	671.33
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93233	0.4
54.82260	0.5
57.03459	0.6
57.48744	0.5
58.24388	0.4
59.01394	2.8
59.06186	0.4
59.74560	0.4
61.98834	1.0
69.03468	0.7
71.01392	2.2
73.02948	1.1
81.03466	2.1
85.02952	3.2
93.03471	2.5
95.01392	2.0
101.02428	1.2
103.90034	0.6
107.05054	1.0
108.02182	83.8
109.02963	69.6
116.92836	1.1
121.02920	3.3
123.00924	1.1
123.04523	1.2
123.08127	2.2
125.09698	0.6
133.02965	2.1
135.00923	0.8
135.03001	0.6
135.04533	0.9
137.02440	3.0
139.11266	0.8
151.04039	1.0
152.01169	98.7
153.01950	29.8
155.10858	0.5
161.02432	2.7
161.04523	0.6
163.03978	2.4
165.01895	1.2
167.03500	0.5
178.03130	0.6
185.11859	7.5
191.05595	0.6
193.16974	0.5
297.06686	0.5
355.25284	0.8
371.24368	0.7
373.26001	36.3
375.27524	3.0
671.32959	100.0
672.33270	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	671.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42517	38.8
61.98856	39.2
65.63420	42.1
68.83093	40.9
79.02026	48.4
81.51022	47.2
85.47298	36.8
85.92071	36.9
95.53880	40.9
98.00105	40.2
117.83715	41.9
161.30048	49.5
435.44843	49.8
470.28879	44.5
476.46317	48.0
671.26740	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	671.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89206	0.5
55.01903	0.7
56.81941	0.4
57.43026	0.4
59.01388	12.3
65.04021	0.5
69.25735	0.4
71.01386	5.5
73.02946	1.0
74.83711	0.5
75.21124	0.5
80.02699	2.8
81.03486	2.9
83.01395	0.9
83.05036	7.5
84.02183	2.2
85.02969	2.9
87.00863	1.1
89.02443	3.8
93.03478	1.2
95.01383	0.6
95.05045	0.8
97.02966	5.1
99.00906	0.9
101.02424	5.7
107.05032	0.8
109.06594	17.5
110.03742	1.2
111.00903	0.7
111.04529	0.7
111.75039	0.5
113.02460	2.8
119.03547	0.7
121.02977	2.9
121.06603	1.1
125.06116	1.0
125.09729	2.7
135.08162	3.9
136.05351	0.6
137.02489	0.6
142.02704	0.7
154.72005	0.5
161.04578	1.2
161.09804	2.1
163.11310	18.0
165.12836	3.6
171.10262	2.3
181.12357	3.8
185.11789	1.1
189.09277	1.1
191.05707	1.2
191.10889	1.8
191.56662	0.5
201.30307	0.5
207.10303	49.6
209.11871	100.0
221.11809	0.6
225.11345	21.5
227.12921	8.4
235.08322	1.9
246.74223	0.5
249.11407	0.7
253.09398	6.5
263.12720	0.7
293.99765	0.5
299.14990	0.7
355.22763	0.7
389.23633	0.5
391.49921	0.6
399.21851	4.2
417.22910	3.0
443.19058	1.1
461.20422	6.7
473.36749	3.2
635.30713	7.7
653.31805	8.6
671.32947	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	671.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52391	0.2
58.82704	0.2
59.01388	2.1
61.13797	0.2
71.01378	2.5
75.00858	0.5
80.34049	0.3
85.02969	0.5
89.02451	1.5
93.03447	2.6
99.00871	3.7
101.02439	1.6
101.51846	0.3
101.84248	0.3
113.02500	0.4
119.03474	0.5
121.02955	100.0
122.03293	0.8
135.04532	1.7
137.02449	6.7
137.09679	0.6
147.03018	5.9
149.02376	0.4
153.09250	0.3
155.10756	0.4
177.04140	0.5
187.89566	0.3
191.05710	0.4
199.09793	1.5
208.03757	0.3
223.06111	1.3
241.10635	0.3
269.06696	14.8
343.13052	0.4
345.15619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
59.01389	5.9
61.98849	0.4
67.10088	0.4
69.03462	7.2
71.01389	8.4
72.99326	0.5
73.02952	2.1
81.03487	1.1
83.01388	0.9
83.05052	0.4
85.02964	3.0
87.00878	0.5
89.02471	1.8
91.01912	0.6
92.92816	0.4
93.03452	0.6
93.66535	0.4
95.01394	2.0
97.02959	7.0
99.00891	0.6
101.02466	3.7
107.01402	4.4
108.02191	24.0
109.02975	7.8
109.06609	2.2
113.02448	2.7
119.03504	0.6
121.02960	100.0
123.00898	1.0
125.02453	14.0
135.00908	11.3
135.04539	51.9
137.02457	2.3
143.03439	0.5
151.00380	0.8
152.01176	24.9
153.01953	4.4
161.04524	0.6
163.04041	8.1
163.11278	1.8
184.23587	0.5
197.06058	1.8
207.10324	6.1
209.11852	6.9
213.05684	0.5
223.06100	0.8
225.11301	3.3
227.12885	0.6
243.06648	8.9
252.78604	0.4
325.09335	2.2
367.10498	0.7
427.12433	0.7
441.10330	0.9
563.14227	16.4
621.41180	0.5
653.31836	0.7
671.33020	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24368	0.3
55.98523	0.3
57.03463	0.3
57.89022	0.3
58.35537	0.2
59.01402	2.8
61.98848	1.4
62.53870	0.3
65.00337	0.4
69.03460	0.4
71.01385	0.8
73.02943	0.3
79.91058	0.4
80.02687	0.6
81.03471	0.6
83.05062	0.4
85.93121	0.3
87.07781	0.3
91.01904	21.6
93.03483	0.6
95.01395	1.6
95.05067	0.4
96.20293	0.3
97.03003	0.4
101.02456	0.7
107.04990	0.4
108.02190	26.4
109.02984	4.5
109.06602	0.5
121.02954	4.0
123.00894	7.8
124.01598	0.4
135.00896	19.7
135.04608	1.1
137.02464	5.1
152.01176	23.0
153.01996	0.4
163.03944	0.4
163.11240	0.7
171.10371	0.4
173.04482	2.4
181.12285	0.7
197.06116	2.7
200.73532	0.3
207.10281	2.7
209.11874	8.0
210.45497	0.3
213.05614	1.9
215.07127	0.8
225.11336	3.5
227.12981	0.6
241.09785	3.6
243.06654	100.0
244.06844	0.5
253.09261	0.3
256.12225	2.1
294.66220	0.4
315.13666	2.6
461.20279	0.5
509.27560	0.7
606.99188	0.4
635.30957	0.5
671.19879	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81361	0.2
59.01389	12.4
64.87476	0.2
71.01390	1.6
73.02958	0.5
75.68182	0.2
83.01376	0.3
85.02959	1.3
87.00892	1.2
89.02444	0.6
101.02463	1.3
105.03447	0.3
108.02200	1.2
109.02967	1.5
113.02439	0.5
116.28967	0.3
116.43163	0.2
117.03491	1.0
121.02961	2.1
123.04545	0.4
125.02445	0.4
132.02187	2.8
133.02960	43.1
134.52094	0.2
135.04521	2.0
137.02493	0.2
152.01158	1.5
153.01942	1.0
160.01703	0.3
161.02458	100.0
162.02829	0.5
173.04559	1.9
179.03505	0.5
191.05608	0.3
205.74698	0.2
215.88991	0.3
217.36993	0.2
257.95404	0.2
268.22086	0.2
285.04205	0.3
295.08347	0.3
305.08914	0.6
312.91931	0.3
323.09805	0.3
361.75729	0.3
407.11929	1.7
449.13049	0.3
611.16168	0.4
629.17645	0.3
671.18591	4.0
671.32721	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	671.2
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23734	2.4
54.83068	2.4
55.37040	2.0
59.01382	27.0
61.98851	12.9
62.65392	2.2
63.16295	2.1
65.03959	3.6
67.01917	2.2
71.01389	13.2
72.80273	2.4
73.02966	3.1
75.00900	4.4
80.02666	2.4
82.68069	2.2
85.02982	4.1
89.02438	3.6
91.01891	27.5
93.03465	11.2
96.96006	2.7
97.02968	3.8
101.02450	12.7
108.02199	16.0
108.14882	2.1
109.02972	45.4
109.06603	2.7
113.02473	9.1
116.74421	2.7
116.92870	5.3
118.65430	2.5
121.02962	99.4
135.00902	85.6
135.02979	3.5
135.04552	34.6
135.08141	2.9
137.02443	5.3
145.02972	3.4
151.04033	3.7
152.01208	5.7
153.00713	3.6
153.01947	100.0
163.04001	3.8
163.11237	4.2
171.10268	3.8
173.04597	11.5
177.01997	2.8
191.05629	12.9
207.10310	16.3
209.11873	34.7
225.11404	22.7
227.12944	3.7
243.06467	3.9
255.02989	2.9
284.03281	3.5
285.03986	11.1
297.07620	2.5
338.32739	2.4
509.35162	3.2
629.39044	4.0
671.41187	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.3
64.34791	0.2
69.03447	0.2
71.01387	2.1
73.02956	1.0
76.57999	0.2
77.03975	0.2
80.49635	0.2
83.01391	0.4
85.02955	1.4
87.00883	1.4
89.02450	0.7
89.03971	0.2
92.10846	0.3
93.03461	1.5
95.01414	0.3
96.95993	0.2
97.02942	0.2
99.00854	0.3
101.02460	1.5
105.03472	0.7
107.92193	0.2
108.02171	1.7
109.02943	1.6
111.00853	0.3
113.02453	1.2
115.01885	0.2
117.03487	0.7
121.02962	2.6
123.04495	0.6
125.02455	0.7
132.02191	2.8
133.02966	44.7
135.03067	0.4
135.04530	1.6
137.02452	0.8
143.03583	0.3
152.01207	1.7
153.01930	1.1
155.03586	0.3
160.01703	0.4
161.02466	100.0
162.02881	0.4
163.04022	0.3
165.05669	0.2
165.12889	0.2
173.04576	3.5
174.04863	0.3
175.03949	0.2
179.03508	0.7
183.10231	0.2
191.05583	0.7
203.05508	0.2
209.11801	0.7
285.04120	0.2
291.00363	0.2
295.08395	1.3
323.10022	0.4
345.15488	0.3
373.26480	0.2
407.12225	2.0
449.13397	0.2
480.53751	0.2
492.92365	0.2
611.16223	0.3
629.17572	0.4
671.18921	3.7
671.33392	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	3.0
59.64901	0.6
61.98842	100.0
77.08790	0.7
87.11263	0.7
92.10877	1.5
93.03545	0.9
103.91712	0.7
106.29778	0.7
114.14275	0.7
115.62924	0.7
121.02956	1.5
129.17155	0.7
137.71718	0.9
207.10378	0.9
286.80487	0.9
306.47299	0.9
309.92303	0.9
380.00015	0.9
468.68890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37423	0.3
51.77465	0.4
57.03474	0.7
59.01398	9.9
61.68328	0.4
61.98854	0.8
65.00331	0.5
69.03493	0.8
71.01392	6.5
72.99335	0.6
73.02966	1.2
75.00876	6.1
78.95916	0.5
79.19469	0.4
83.01421	2.5
85.02969	4.6
87.00886	4.9
88.98804	0.8
89.02475	1.8
93.03463	7.4
95.01405	1.1
95.91266	0.5
96.96033	0.8
99.00883	2.0
101.02465	3.3
107.01419	2.2
108.02208	3.3
109.02973	7.3
111.00887	4.0
113.02477	2.6
113.99583	0.9
115.00390	10.6
117.03508	0.7
117.11291	0.5
119.05042	3.1
121.02958	7.0
123.04506	0.7
125.02473	0.9
125.08520	0.4
126.77247	0.4
129.01929	0.7
131.03455	0.6
132.02194	1.1
133.02956	14.8
134.03743	0.6
135.00909	2.2
135.04506	6.3
137.02449	4.6
139.00386	2.6
139.04031	0.6
143.04994	0.9
145.03008	1.1
147.04494	0.8
149.02446	1.7
149.06119	0.8
151.00346	1.0
152.01178	2.3
153.01964	2.1
156.00674	1.9
157.01443	2.9
157.06552	1.0
159.04518	3.1
160.05157	0.6
161.02466	32.3
163.00400	2.7
163.03999	2.5
165.01987	1.2
167.04967	0.8
169.06560	0.8
171.04594	0.9
173.02390	0.8
173.04628	0.8
174.01732	6.8
174.03133	0.9
175.02486	6.6
175.04037	2.2
176.04811	0.9
177.01961	0.7
177.04065	4.8
177.05409	0.8
179.03560	0.7
185.06110	4.7
187.04059	6.2
188.04767	0.8
189.01918	0.7
189.05595	2.1
191.03546	2.2
191.05618	3.7
191.07217	0.9
193.05109	10.1
195.04659	0.6
197.06052	0.7
201.01865	0.7
201.05595	0.7
203.03716	0.9
205.05170	0.9
206.02075	0.7
207.06667	3.1
211.04054	2.1
213.05623	3.2
214.02736	0.6
215.03549	1.1
221.04706	0.5
223.06094	0.8
227.03514	10.2
229.05087	21.3
233.04564	5.4
234.05179	3.6
237.03983	0.5
239.03525	2.6
241.05083	1.9
249.58852	0.5
251.05783	0.9
253.08864	0.6
255.02989	14.5
256.03757	2.3
257.04556	10.1
267.02853	0.6
275.05762	0.7
284.03308	11.7
285.04092	100.0
286.04327	0.9
289.07358	0.7
307.08301	12.0
309.06201	0.9
313.23923	0.6
327.05170	1.0
331.24908	0.9
375.27527	0.8
412.32184	0.5
493.30435	3.3
573.16180	6.1
575.14050	7.1
593.15320	4.1
609.12958	2.9
617.15125	2.3
635.16339	33.1
636.16565	1.0
671.17603	0.7
671.35455	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	669.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63579	1.7
61.81534	1.3
63.02853	1.4
64.50491	1.4
70.79575	1.5
92.10135	4.2
101.94958	1.7
117.03490	8.3
119.05025	14.6
145.02985	26.6
163.04033	6.9
165.66357	1.9
221.61461	1.8
295.65063	1.7
469.33206	2.2
633.27637	3.3
633.38165	100.0
634.38495	2.4
676.32513	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	16.2
59.54482	3.4
60.56505	3.0
61.98844	19.8
80.38902	3.3
84.98025	4.4
94.56052	4.4
121.02963	17.4
152.82007	3.5
173.04623	5.1
197.11859	18.8
209.11879	5.9
393.10037	4.3
471.34924	100.0
500.31210	4.3
669.31042	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92117	0.9
59.01395	2.0
61.98849	7.9
80.91702	5.9
144.26634	1.2
145.02939	5.4
160.43701	1.2
186.81850	1.1
316.78265	1.1
587.39661	100.0
631.37408	1.3
633.37811	4.9
669.40027	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83208	1.5
59.01394	1.7
61.98838	2.9
78.95878	1.9
80.91681	2.0
82.30007	1.9
90.24876	2.0
113.76436	1.7
116.92876	2.5
135.93134	1.7
137.42120	1.7
145.02956	6.9
145.96919	2.1
153.57898	1.9
182.59482	1.8
244.26997	2.0
258.42743	1.8
484.82242	2.1
587.39587	100.0
633.37640	3.7
666.71393	2.0
669.39954	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21574	2.2
52.80760	1.9
59.01384	21.8
60.27369	1.6
61.98837	5.0
71.01396	10.2
79.06354	2.0
83.05052	2.2
85.02950	2.3
89.02464	3.3
96.96055	2.2
101.02466	3.8
108.62487	1.8
113.02460	3.1
121.02943	4.6
141.01715	2.2
149.02962	2.1
161.04689	2.3
163.11276	3.6
179.14455	3.5
195.13937	8.1
202.68520	2.4
205.12337	14.5
209.11861	98.9
223.13417	100.0
227.12946	11.8
253.09373	9.8
405.17905	2.1
436.69797	2.2
441.71753	2.4
459.22281	10.7
489.32150	3.6
533.66235	2.1
669.31195	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63579	1.7
61.81534	1.3
63.02853	1.4
64.50491	1.4
70.79575	1.5
92.10135	4.2
101.94958	1.7
117.03490	8.3
119.05025	14.6
145.02985	26.6
163.04033	6.9
165.66357	1.9
221.61461	1.8
295.65063	1.7
469.33206	2.2
633.27637	3.3
633.38165	100.0
634.38495	2.4
676.32513	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15637	1.2
54.26442	1.5
54.43910	1.5
59.01394	2.6
61.11310	1.3
61.98830	2.2
64.95924	1.3
70.59137	1.3
78.95936	3.1
80.73347	1.6
91.11677	1.4
92.86633	1.7
117.03479	15.6
119.05041	15.8
145.02975	74.0
163.04042	10.8
375.65134	2.0
532.32513	1.9
633.27533	4.0
633.38043	100.0
634.37299	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70759	8.4
59.01396	53.1
69.74986	11.1
69.77392	10.1
71.01380	20.5
71.47917	9.5
79.90595	11.4
86.72032	12.5
92.65436	11.2
93.03519	11.3
97.02975	27.3
109.06641	13.4
121.02946	24.7
125.09721	21.4
126.74992	12.4
137.35805	11.5
148.07683	11.8
155.86200	11.6
179.10892	15.4
185.11824	18.9
197.11758	22.2
207.10316	25.5
209.11800	100.0
219.13901	12.0
223.09744	23.0
225.11378	27.7
438.74792	12.3
459.18939	13.2
471.34634	21.0
523.49530	14.2
651.30481	16.5
669.31134	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.9
57.95053	0.5
59.01382	4.0
61.98839	0.8
68.47029	0.6
71.01046	0.5
71.01384	4.8
73.02940	1.2
81.03471	2.6
81.92305	0.6
83.01386	0.6
84.04420	0.5
85.02949	3.9
88.98800	0.6
89.02414	0.5
89.07961	0.5
93.03456	3.0
95.01399	1.9
101.02419	2.1
108.02187	86.0
109.02966	70.4
113.02445	0.9
117.03498	0.7
119.05026	0.8
121.02972	6.5
121.06493	0.6
123.00869	3.3
123.04467	2.1
125.02425	0.9
125.09731	2.7
135.00803	0.6
135.04530	1.1
136.09261	0.5
136.56819	0.6
137.02406	1.0
137.09749	0.7
139.11275	0.5
145.03011	4.9
151.03952	1.2
152.01173	96.1
153.01964	34.2
155.10738	0.9
161.02454	0.6
163.04013	2.2
165.01976	1.3
171.10345	4.8
173.04588	0.7
185.11836	2.1
195.02998	0.6
203.03481	0.6
206.65067	0.6
242.68008	0.6
263.90775	0.6
328.09595	0.7
341.23315	5.2
343.11874	2.7
353.23425	0.9
371.24451	28.3
403.13919	3.2
433.88062	0.6
506.54099	0.7
529.07751	0.7
669.31390	100.0
670.31311	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57966	0.1
59.01387	0.2
71.01386	18.5
77.03912	0.1
81.10505	0.1
92.66528	0.1
93.03452	0.3
115.00376	8.3
119.05021	5.3
121.02956	100.0
122.03300	1.4
134.03712	0.7
135.03020	1.2
138.64542	0.1
163.04025	7.4
191.05635	0.7
191.84256	0.1
193.05006	0.5
215.65627	0.1
237.04079	10.5
237.12679	0.1
238.04622	0.2
274.19284	0.1
281.06747	1.6
306.08228	0.1
649.58032	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.1
64.66777	0.2
71.01386	18.4
72.23776	0.2
78.94022	0.2
81.86533	0.2
84.14021	0.2
85.02971	0.4
87.00869	0.2
93.03487	1.2
94.81516	0.2
96.96023	0.9
101.02479	0.5
113.02489	0.2
114.99574	0.2
115.00383	8.8
121.02962	100.0
122.02494	0.3
122.03276	2.4
123.03527	0.3
134.03725	0.3
135.04413	0.2
137.02454	1.4
140.70668	0.2
151.04117	0.3
173.04619	0.3
191.05661	1.0
193.05096	0.5
237.01695	0.4
237.04097	11.0
285.07822	0.4
346.84048	0.3
545.18683	0.2
664.35400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.8
58.02987	17.9
58.90075	0.3
59.01395	1.9
60.99325	1.1
67.01884	3.1
69.03453	0.6
70.02976	7.6
71.01396	2.7
72.00912	4.1
81.03465	0.6
85.02966	3.0
86.03337	0.4
87.00875	5.0
87.85764	0.5
91.05539	8.5
93.03461	19.6
94.03790	4.9
105.09214	0.4
111.04538	2.8
114.02905	0.4
119.05045	3.2
120.05367	0.6
121.02988	2.3
124.94854	0.4
125.49471	0.4
134.03761	7.4
135.04184	2.5
137.02440	0.5
147.04541	34.3
148.04892	0.5
148.77242	0.4
160.01672	0.6
162.09280	0.9
163.04070	5.2
164.07196	94.4
165.07532	1.9
173.04568	9.3
174.04915	2.1
191.05646	49.6
192.05972	14.5
193.05116	2.2
194.05473	1.0
206.08264	100.0
207.08644	2.2
268.06284	0.4
318.08481	0.5
367.10312	6.5
368.10721	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	669.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	6.8
60.32579	0.5
71.01394	5.5
74.55213	0.6
75.00880	0.9
79.22815	0.5
85.02965	3.9
85.30212	0.6
89.02460	4.0
93.03475	3.5
96.96014	0.6
101.02483	2.3
112.32389	0.5
113.02469	2.9
119.03477	0.7
119.05020	0.7
121.02940	10.7
134.03699	0.6
135.03021	4.3
135.04535	6.4
137.02454	5.0
149.02461	43.8
151.04025	1.2
152.01163	8.3
163.04018	7.5
164.04814	45.6
165.01952	1.2
167.03525	0.9
169.05064	3.3
173.04497	0.8
179.05666	0.8
179.07155	13.6
190.02776	2.3
191.05580	4.1
192.71985	0.5
193.01443	26.4
205.05098	2.5
208.03816	58.1
223.06161	100.0
224.06532	0.7
267.07288	1.2
286.29300	0.6
319.14374	0.9
385.11514	17.9
406.33960	0.6
487.17163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.0
59.01386	100.0
61.98844	6.2
63.86181	0.9
69.03471	2.1
69.76019	0.7
71.01386	27.4
72.99317	1.1
73.02949	44.7
75.00887	1.0
81.03442	1.6
83.01401	10.3
85.02968	5.9
89.02480	1.5
93.03469	1.1
97.02982	1.2
101.02441	39.0
101.03096	1.4
113.02448	11.4
121.02950	15.0
125.02451	6.3
131.03514	3.9
135.02971	1.0
135.04533	1.5
137.02446	1.2
143.03526	7.6
149.04504	1.4
155.03517	4.0
158.31454	1.1
161.04579	6.6
169.19302	1.0
173.04597	2.1
203.05655	8.7
211.07703	1.4
352.29739	1.2
411.53033	1.2
517.31622	1.3
519.33655	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53180	1.3
59.01394	10.3
61.98837	52.7
69.09247	1.4
71.01392	10.4
89.02416	12.3
101.02459	6.3
113.02473	2.5
121.02964	6.6
165.21675	1.8
171.27640	1.6
179.05656	2.4
295.70724	1.6
356.85452	1.5
487.34369	100.0
494.34808	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	667.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81238	0.9
53.83899	0.9
56.87106	1.0
59.01395	6.3
61.98846	4.5
67.66747	1.0
71.01410	2.1
85.37061	1.0
89.02472	2.6
92.10725	2.2
93.03460	1.7
96.83311	1.0
101.02464	2.2
114.38628	1.2
118.18108	1.0
121.02959	20.8
129.02754	1.1
137.02448	2.7
145.02995	2.1
152.73244	1.0
155.03525	1.3
171.21899	1.1
173.04643	2.7
179.05696	1.5
364.13840	1.4
487.34378	100.0
488.34543	4.2
649.37524	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38738	1.3
59.01387	100.0
60.03957	1.7
61.98854	7.7
63.95574	1.4
70.13794	1.5
71.01385	28.0
73.02943	14.7
85.02966	30.1
89.02465	7.3
93.03484	3.5
95.01411	9.8
100.48280	1.6
101.02452	24.6
113.02456	47.0
119.03463	2.7
119.05019	2.1
121.02967	16.8
127.48141	1.6
131.03491	3.7
135.04509	1.9
143.03526	8.9
149.04576	3.1
161.04581	9.8
163.03914	1.8
173.04517	3.9
191.05609	2.5
198.86365	1.7
199.13751	1.7
221.06554	2.4
223.98711	1.6
487.34598	3.3
541.23834	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	667.189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86343	0.2
51.65859	0.2
59.01394	0.5
64.34312	0.3
64.86963	0.2
67.23877	0.2
71.01392	19.3
73.02962	0.2
81.97219	0.2
88.90777	0.2
96.96035	0.4
115.00389	9.5
117.03451	0.5
119.05058	0.4
121.02964	100.0
122.03301	1.2
134.03748	6.8
149.06145	1.0
159.54793	0.2
173.04588	0.3
178.02711	0.5
178.73639	0.2
191.05623	2.0
193.05070	7.9
237.04091	9.7
258.94797	0.3
309.07513	0.3
356.01205	0.3
429.13974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20590	0.1
51.61810	0.1
54.38549	0.1
57.03448	0.8
59.01382	1.9
60.99307	1.6
67.01892	5.6
69.03454	1.4
71.01379	2.7
81.03442	1.4
83.05039	1.0
85.02949	6.2
87.00335	0.3
87.00876	8.2
89.48038	0.2
93.03456	35.4
93.36477	0.2
94.03776	0.2
97.02937	0.2
99.00902	0.4
99.04501	0.7
99.77982	0.2
101.02444	0.2
109.02941	1.1
111.03812	0.3
111.04530	6.0
113.02481	0.3
117.03459	1.2
119.05002	0.8
121.02940	0.2
121.47549	0.2
127.04001	1.9
129.01929	0.9
133.01425	0.3
134.03745	14.5
137.02394	1.5
149.06049	1.2
152.59105	0.2
155.03505	1.2
160.01608	0.4
163.04102	1.4
164.07172	0.7
171.03036	0.4
173.04564	12.6
175.04012	0.9
191.05635	100.0
192.05957	0.6
193.05067	7.6
206.08231	0.4
216.28296	0.2
303.56674	0.2
367.10388	28.8
368.10657	0.3
379.96082	0.2
401.46771	0.2
486.75360	0.2
658.43494	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.3
57.03460	0.2
59.01381	2.0
71.01386	2.6
73.02958	1.1
75.80418	0.1
78.62788	0.1
83.01409	0.3
83.04968	0.1
85.02967	7.8
87.00892	1.7
93.03470	2.6
95.01395	0.2
99.00906	0.3
99.04568	0.3
101.02444	1.9
109.02958	0.6
111.04556	1.1
113.02466	0.9
127.04024	2.1
129.01947	0.2
133.02943	0.8
135.04529	1.7
155.42334	0.2
161.02466	2.2
161.04578	0.9
171.03046	0.3
173.04486	1.4
179.03505	1.1
184.14453	0.2
191.05641	100.0
192.05991	1.6
198.55766	0.1
269.10513	0.5
295.61044	0.1
313.09372	3.5
353.08838	10.2
354.08810	0.3
434.81946	0.2
540.14020	0.2
544.89685	0.2
546.53040	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
57.97255	0.2
59.01386	3.1
60.99310	0.5
61.98846	0.5
63.87088	0.3
69.03443	0.2
71.01388	3.0
72.99326	0.4
73.02933	0.5
75.00883	4.0
79.96094	0.3
85.02965	1.0
87.00908	0.3
88.98818	3.1
89.02454	1.3
93.03459	35.9
96.96009	1.3
96.99321	6.2
99.00861	0.6
99.92598	0.3
101.02470	0.4
108.02200	1.4
109.02961	1.3
111.00937	0.4
111.04437	0.3
113.02513	0.3
115.00364	0.6
116.92867	5.0
117.01933	0.3
117.03487	2.8
119.05037	25.1
121.02969	17.1
123.04541	3.6
130.04259	1.8
131.05038	6.7
132.05801	0.4
133.02057	0.4
133.02983	7.9
135.03017	7.9
135.04527	1.1
137.02466	2.4
143.05042	30.3
145.02968	4.8
145.06616	1.7
147.04494	0.6
152.01178	1.8
153.01912	0.6
154.41109	0.3
158.03731	0.6
159.04492	1.2
163.04036	13.6
171.04515	4.2
173.04636	0.4
173.06107	0.3
175.03973	0.3
179.05798	0.3
183.13922	0.6
191.05760	0.4
201.05594	0.5
203.53986	0.3
209.06090	0.4
210.06938	2.7
211.07692	54.2
212.08083	0.4
219.08170	1.5
221.09775	2.2
222.06833	0.4
223.07727	3.7
235.07703	5.3
237.09256	10.4
239.05644	1.8
239.10760	0.6
247.07666	1.6
253.08861	0.5
263.07184	0.6
264.08167	1.0
265.08737	34.5
283.06970	0.3
283.09799	2.3
309.07761	9.9
327.08807	100.0
328.09238	1.5
377.09134	0.3
427.10361	9.4
427.16104	0.4
445.11429	8.3
545.13184	7.9
549.13550	1.9
607.26270	1.1
650.43323	0.4
667.17291	6.4
667.29712	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83273	1.4
55.01890	1.9
57.03456	2.5
57.99270	1.1
58.33515	1.1
59.01391	28.6
59.57954	1.0
61.98833	1.5
63.87231	1.2
71.01387	20.1
71.78419	1.0
72.99332	8.1
73.02955	7.1
75.00875	61.9
83.01408	1.9
85.02943	11.6
86.36629	1.1
87.00884	10.1
88.98819	9.3
89.02449	17.2
89.40663	1.1
91.08533	1.2
92.16397	1.2
93.03456	18.2
95.14307	1.3
96.95970	2.3
97.06653	1.3
99.00945	2.1
101.02448	10.2
107.05041	1.5
108.02184	6.4
109.02945	1.3
113.02488	2.8
116.92892	1.8
117.01954	7.4
117.03530	1.7
119.03617	2.1
119.05029	68.5
120.05387	1.9
121.02956	68.1
126.95386	1.3
129.01933	1.8
133.02989	1.4
134.03743	1.7
135.03012	100.0
135.04604	5.4
137.02443	4.9
143.05023	3.0
145.02988	8.3
151.03993	1.5
152.01199	6.6
153.01970	2.9
160.01659	3.1
161.02419	2.5
161.09685	1.5
163.04024	42.1
165.04196	1.6
173.04544	5.3
175.04070	6.5
177.04030	6.7
191.05630	14.2
207.76277	1.3
211.07692	16.1
219.06551	1.4
223.07692	21.0
227.03600	2.6
230.00803	1.4
235.07927	1.9
237.09224	8.4
239.05605	13.2
239.10736	2.3
255.03055	2.9
265.08633	10.4
281.06604	1.5
283.09766	9.4
284.03226	4.6
285.04111	3.1
309.07742	2.9
327.05145	2.3
327.08807	41.1
327.21741	2.3
371.24374	4.9
373.26227	2.0
427.10382	3.1
489.10422	1.8
489.27289	4.6
517.30701	1.3
535.31274	6.2
545.13177	2.2
667.18207	2.5
667.31720	32.6
667.92383	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71218	0.3
56.03105	0.3
56.41656	0.3
59.58130	0.2
60.04295	0.3
61.98842	100.0
73.80678	0.3
106.39666	0.3
161.96187	0.3
172.28429	0.3
204.71973	0.3
209.07440	0.3
217.24533	0.3
221.97586	0.3
398.45963	0.4
487.34631	0.7
606.39771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.8
61.98838	100.0
64.76944	0.8
68.70212	0.6
78.16907	0.8
83.46054	0.8
85.11731	0.8
142.53908	1.0
145.03008	0.9
157.03267	0.8
288.67722	0.9
297.80054	1.0
434.50452	1.0
599.56476	1.1
636.75122	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35584	0.6
59.01393	5.9
59.80298	0.6
61.98833	4.0
70.41953	0.7
71.01389	3.6
75.00887	5.0
76.89420	0.6
83.01404	0.7
85.02965	2.6
87.00871	1.4
89.02433	0.7
93.03461	12.3
96.99318	1.1
99.00890	0.9
99.86079	0.7
101.02495	0.9
108.02169	2.9
109.02981	2.9
110.02072	0.6
116.92883	2.5
117.01929	0.8
117.03484	1.5
119.05030	49.5
121.02969	24.4
123.04563	0.8
130.04201	0.7
131.05029	1.7
132.05836	1.5
133.03021	1.1
133.06610	37.5
134.06956	9.3
135.03009	12.1
143.05048	8.6
145.02956	11.0
145.06621	4.3
152.01160	2.9
159.04572	1.6
159.08121	0.7
161.02469	0.8
163.04037	26.5
176.66985	0.7
177.05589	0.9
187.32524	0.7
191.05577	1.0
195.04510	3.0
203.03493	0.8
209.06155	2.8
209.11867	0.8
210.06889	1.2
211.07713	12.3
221.09746	1.1
222.06897	1.1
223.07669	39.0
224.08444	1.1
235.07791	1.5
237.09250	22.6
239.05505	1.0
239.10855	8.7
253.08704	1.1
263.05692	6.8
265.08716	15.1
281.06796	1.0
283.09799	38.0
309.07837	2.7
327.08801	100.0
383.11563	0.9
393.60559	0.8
427.10416	13.5
445.11499	13.5
535.31146	0.8
545.13257	15.5
549.14288	1.1
667.16785	14.9
667.27759	1.7
670.71204	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83102	0.6
57.03498	0.9
59.01398	4.4
61.98849	1.3
66.45168	0.6
66.66210	0.6
71.01402	6.0
73.02955	2.6
75.00881	0.6
82.46367	0.6
85.02979	3.1
87.70847	0.6
89.02383	0.7
93.03449	5.5
96.95998	0.7
99.00946	0.9
101.02464	3.6
109.02959	0.6
113.02428	1.6
116.92863	1.0
119.05019	1.4
119.29637	0.7
121.02969	9.3
122.03752	13.0
123.04489	0.8
127.60712	0.9
131.03798	1.0
132.02173	17.6
133.02939	3.4
134.03754	28.1
134.16217	0.7
135.04424	1.3
136.01743	0.8
137.02431	3.0
149.02467	21.0
149.06081	3.9
150.03246	93.9
150.81369	0.7
152.01201	1.0
160.01674	92.2
161.02107	0.8
161.04538	1.6
164.04773	4.4
165.05589	72.9
173.04515	1.5
175.04022	100.0
176.04443	1.0
178.02745	2.9
180.04259	6.4
191.05614	1.5
193.05092	19.6
195.06648	29.2
282.09009	0.8
327.08246	0.9
337.09369	9.1
341.10278	4.2
381.12234	0.8
470.14658	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	9.4
61.98848	7.5
71.01390	10.4
73.02967	1.6
85.02974	3.1
87.53090	1.2
93.03458	10.1
101.02439	2.8
105.01975	1.7
108.02204	2.6
109.02982	2.4
113.02437	1.8
114.06329	1.2
117.32812	1.0
118.69652	1.3
119.05024	3.0
121.02957	23.7
122.03782	10.9
122.04515	1.4
127.77808	1.2
128.35158	1.1
130.08749	5.6
131.03815	1.3
132.02165	14.9
133.02951	2.6
134.03754	31.1
135.04510	6.4
136.01677	1.5
137.02461	7.4
149.02467	27.3
149.06104	6.4
150.03236	76.2
152.01157	3.1
160.01672	91.8
160.63669	1.7
161.04602	2.0
164.04826	6.3
165.05582	62.2
173.04599	4.8
175.04021	100.0
178.02766	2.8
180.04285	2.9
191.05692	2.7
193.05066	26.3
195.06656	22.3
221.06207	1.5
239.07089	2.4
250.06412	2.9
253.08757	2.8
263.87958	1.3
265.08649	1.3
267.06763	1.6
282.09058	11.9
284.03439	1.7
336.38873	1.4
337.09442	11.0
341.10352	28.9
389.12396	1.8
470.14651	82.1
478.08133	1.3
485.14520	5.2
585.23199	1.2
618.20557	1.3
666.22357	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	665.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37336	1.0
53.52296	0.9
54.74636	0.9
55.01892	2.2
57.03453	1.4
59.01392	38.7
59.01657	2.0
71.01391	22.4
72.82682	1.1
73.02962	2.7
75.00855	1.5
80.99529	1.0
85.02969	13.3
86.71291	1.0
87.00888	1.6
89.02458	19.3
92.10860	1.8
93.03463	2.3
96.96019	5.0
99.00896	1.7
101.02455	18.7
113.02476	10.8
119.03515	7.1
123.04540	7.9
126.52200	1.1
135.04550	1.3
137.02457	6.3
152.65712	1.1
153.05556	8.3
164.12933	1.3
179.03438	1.7
179.05609	1.7
191.05641	2.8
315.10843	1.6
348.49979	1.4
443.19305	100.0
444.19501	1.4
492.28256	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77635	0.1
59.01384	0.2
66.46491	0.1
67.49213	0.1
68.03532	0.1
83.05493	0.1
85.02943	0.5
90.57650	0.1
93.03465	0.2
96.96008	0.2
101.02489	0.1
108.02183	0.8
109.02944	0.2
133.02930	0.4
135.04559	0.1
144.04561	100.0
145.04910	1.1
152.01166	0.4
153.01909	0.2
163.09352	0.1
191.05638	0.7
214.05138	0.1
228.06708	0.2
245.58087	0.1
306.09888	5.8
307.10220	0.1
315.07330	0.6
350.08868	3.1
351.07382	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	666.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97808	1.3
59.01392	10.5
60.16992	1.6
61.98836	18.0
69.84176	1.7
71.01390	10.1
73.02957	2.3
83.01387	1.6
84.36082	1.6
85.02967	2.7
89.02454	1.5
93.03458	12.2
99.00885	1.8
101.02445	6.0
109.02983	3.0
113.02457	3.2
119.05048	6.6
121.02967	19.9
122.03759	7.3
131.03804	1.8
132.02193	17.7
133.02962	2.7
134.03746	68.7
135.02924	1.8
135.04552	13.5
136.01694	1.6
137.02458	6.9
145.02989	2.5
149.02449	32.4
149.06091	12.2
150.03242	42.1
150.16948	1.7
152.01265	1.9
160.01663	100.0
161.02486	3.5
161.04596	2.4
163.03973	3.2
164.04779	2.5
165.05568	29.9
173.04573	2.7
175.04013	97.8
178.02647	3.5
191.05603	3.7
193.05075	22.0
195.06599	7.2
209.11729	6.7
228.30122	1.7
239.07101	1.6
250.06453	2.5
267.06616	3.4
282.08994	15.4
297.11508	1.8
298.60532	1.7
337.09314	7.1
341.10336	65.1
371.11478	1.8
387.82178	1.8
470.14645	70.8
471.15762	1.6
485.14661	2.6
618.19879	6.9
665.38525	3.0
666.38092	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	665.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93864	1.1
57.03450	1.8
58.59087	0.9
59.01388	27.5
68.29207	0.9
69.03485	1.1
71.01389	21.2
73.02933	8.2
75.00886	5.5
81.03461	1.7
83.01407	4.6
85.02953	16.2
87.00898	2.6
89.02467	5.8
92.10121	2.8
93.03476	6.7
95.01390	5.1
96.96022	4.4
97.02935	1.3
99.00882	2.0
101.02445	12.1
101.21535	1.0
105.87374	1.1
106.04246	4.7
107.05025	1.1
108.02189	79.6
109.02216	2.4
109.02966	66.0
113.02458	9.5
119.03514	1.3
119.05073	8.4
121.02970	11.7
123.00871	4.1
133.02968	22.8
133.03903	1.7
135.04483	7.8
137.02464	4.2
145.03035	2.2
149.02448	2.2
151.04022	1.2
152.01183	100.0
153.01971	42.6
160.01691	5.1
161.02467	62.8
161.04559	2.2
161.09734	19.7
163.04008	5.5
163.07617	1.8
173.04596	4.3
175.03958	2.5
177.01956	1.4
177.04048	4.0
179.03481	1.9
181.04982	1.1
185.84045	1.4
190.40454	1.2
191.05667	14.0
205.08739	35.0
210.06970	1.5
211.07620	1.2
266.99872	1.3
315.07358	21.7
325.21268	1.1
346.37674	1.1
349.13034	14.2
388.18427	1.2
459.16470	1.6
503.15717	45.7
504.16064	1.3
545.16504	1.6
561.29315	4.7
579.30377	4.2
629.17413	9.8
665.20935	59.9
665.30402	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	665.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82694	0.5
57.03447	0.6
59.01388	2.1
60.22438	0.4
67.01895	0.5
71.01390	2.2
72.99310	0.4
73.02943	1.7
75.00867	3.7
75.89902	0.4
81.55666	0.4
85.02950	9.3
85.03383	0.5
87.00894	4.1
93.03461	4.4
96.96016	12.3
96.96999	0.5
101.02463	0.6
105.01949	1.7
107.05039	0.4
111.04546	0.8
112.89066	0.4
119.05029	35.4
121.02968	1.7
127.04043	3.0
129.01918	0.8
133.02989	2.4
135.04527	2.7
147.02991	0.9
161.02455	2.4
163.04024	47.6
165.04056	18.2
171.03136	0.5
173.04512	1.0
179.03566	0.7
191.05638	100.0
192.05952	0.8
205.41031	0.5
215.84375	0.5
262.92621	0.5
311.07797	12.2
351.06958	0.5
353.08899	9.9
437.11356	0.4
461.48407	0.5
490.19406	0.5
665.18384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42278	0.3
59.01388	42.7
71.01405	0.7
72.99307	5.3
73.02977	0.4
74.02484	0.8
85.02976	0.7
89.02469	0.7
91.05546	0.5
93.03470	0.8
116.03559	0.4
119.05038	7.4
121.02957	2.2
137.02493	0.3
147.04541	100.0
148.04955	1.4
163.33298	0.3
165.05582	85.0
166.06012	0.6
167.51924	0.3
181.80447	0.4
191.05624	2.6
203.08244	0.5
207.06660	42.6
245.09212	0.7
385.19150	0.6
639.25287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96613	1.7
59.01394	9.0
61.98840	100.0
68.35854	1.9
71.84328	2.0
80.32687	1.8
91.77179	2.0
97.89531	2.2
99.53020	2.0
102.08933	2.0
130.59740	1.9
133.13747	2.3
157.75296	2.3
160.59892	2.6
176.05008	2.5
200.60371	2.0
227.43469	2.1
267.03067	2.7
488.34830	2.5
544.46820	2.7
603.39069	10.6
604.39117	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
55.64959	0.2
57.03466	0.3
59.01397	8.5
67.01919	0.3
71.01388	3.0
73.02965	1.9
75.00882	0.6
83.01407	0.5
85.02984	1.7
87.00890	2.5
88.20602	0.2
89.02463	1.6
89.72560	0.2
92.10167	0.5
93.03465	3.0
95.21790	0.3
95.73503	0.3
99.00903	0.4
101.02451	2.2
105.03458	0.3
109.02995	0.4
111.04552	0.3
113.02435	2.2
115.00405	0.3
117.03475	0.6
119.03545	0.4
119.05037	7.9
120.30659	0.3
121.02974	0.6
123.04584	1.0
129.01956	0.4
132.02193	2.0
133.02963	36.9
135.04536	3.7
143.03604	0.3
145.06651	0.3
153.01848	0.3
153.05577	0.6
154.88655	0.3
161.02463	100.0
162.02766	0.4
163.04002	2.4
173.04601	1.3
177.04153	0.4
179.03535	1.7
179.05539	0.3
189.05663	0.3
191.05600	1.8
205.08768	0.3
210.06934	1.1
211.07600	1.0
233.04619	0.3
237.09166	0.5
284.03149	0.3
323.07547	0.5
327.08768	0.3
341.10941	1.3
383.12079	1.0
491.13562	1.0
503.19064	0.3
587.16449	0.6
629.17358	20.2
647.18121	0.4
665.19049	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	663.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98215	0.7
59.01391	12.2
61.50443	0.7
61.98820	1.1
92.65202	0.8
119.05043	1.9
145.02979	5.6
163.03979	1.8
180.37355	1.0
222.37114	1.0
305.63727	0.9
340.78378	0.8
350.26993	1.0
603.39221	100.0
604.39093	2.0
663.39233	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	663.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73700	0.5
59.01387	16.0
61.98851	1.3
65.66613	0.6
66.34474	0.5
69.18999	0.6
69.66281	0.7
71.01401	1.0
80.18868	0.7
87.00847	0.6
89.02425	0.8
101.02449	0.8
104.69872	0.6
145.02962	0.9
176.54584	0.6
210.87013	0.6
221.70033	0.6
471.34897	1.4
603.39172	100.0
604.39606	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	663.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30495	1.4
59.01392	100.0
60.20943	1.7
60.90783	1.6
64.75629	2.1
68.09168	1.8
71.01432	3.3
73.72605	2.3
80.91247	2.1
89.02461	5.0
90.21554	2.0
104.03746	2.4
117.03464	2.5
132.02159	2.6
145.02965	10.4
160.01646	12.2
166.16696	2.5
175.04045	9.4
178.55492	2.2
179.05644	3.0
257.37711	2.4
457.06277	2.4
504.84982	2.3
544.51410	2.6
663.38776	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	664.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05923	0.1
54.56960	0.1
54.83076	0.2
55.21104	0.1
57.89636	0.1
58.19929	0.1
62.17330	0.1
62.63724	0.1
63.91849	0.1
64.74240	0.1
71.01384	17.2
72.01775	0.1
72.28376	0.1
73.67831	0.1
92.10774	0.2
115.00379	8.2
119.45838	0.1
121.02960	100.0
122.03302	0.9
154.24547	0.1
191.05658	0.2
202.43747	0.1
230.60573	0.1
237.04085	10.3
263.15799	0.2
429.96738	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
69.19880	0.4
105.03459	2.2
112.93280	0.4
117.03425	0.7
121.02938	0.6
132.02171	3.3
133.02968	27.1
134.03743	25.4
135.04539	28.0
137.02464	2.1
139.03961	0.4
147.04564	0.5
149.06076	1.7
160.01671	15.1
161.02460	41.6
162.02893	0.4
175.04021	9.1
177.01929	0.9
178.02715	2.0
179.03532	18.6
193.05078	6.8
227.58759	0.5
337.17813	0.4
437.49170	0.5
469.33212	0.7
589.35651	0.9
663.39185	100.0
664.39447	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	663.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44109	0.9
58.52529	0.9
103.44547	0.9
105.03455	1.6
132.02151	1.3
133.02025	1.7
133.02962	25.9
134.03746	20.9
135.04526	21.7
137.02412	2.3
160.01668	14.7
161.02458	34.2
175.04031	8.2
179.03510	16.2
193.05006	7.4
260.96039	1.0
302.73523	1.0
332.39957	1.0
377.42480	1.2
471.35150	1.2
526.28058	1.1
663.39172	100.0
664.39197	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.413
Annotation	Beesioside M
Peak:m/z	Relative Intensity
52.97221	0.3
53.36958	0.3
54.18135	0.3
58.47691	0.3
59.01386	100.0
61.98841	0.4
62.26678	0.3
70.24680	0.4
71.14530	0.3
71.30144	0.3
77.29688	0.3
78.95924	0.7
94.85877	0.3
101.02415	0.5
178.94270	0.4
193.35083	0.4
193.36864	0.3
194.93660	0.5
250.75902	0.4
261.66092	0.4
343.01126	0.5
603.39069	7.8
619.58240	0.4
634.95386	0.4
663.41473	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	663.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45082	2.7
61.98843	5.3
69.17171	2.6
78.95943	5.5
92.37764	2.6
117.03482	28.5
119.05032	61.2
133.02988	3.5
137.89728	2.5
145.02975	89.1
162.89594	2.9
163.04028	59.9
199.13432	5.5
437.12823	3.2
470.98834	3.3
589.40601	3.6
663.39178	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	663.3913
Annotation	Bisandrographolide B
Peak:m/z	Relative Intensity
52.81426	1.1
54.97260	1.4
59.01408	1.9
70.56036	1.3
77.36596	1.5
78.95952	1.9
79.18012	1.4
91.22401	1.7
92.10791	3.4
121.02858	1.5
121.70340	1.4
133.02977	15.9
134.03751	13.5
135.04529	20.6
137.02475	2.9
152.99609	2.6
160.01733	14.1
161.02461	30.6
175.03987	6.6
179.03496	10.5
193.05095	3.0
436.38202	2.0
469.33362	3.1
663.39185	100.0
664.40460	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	663.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80873	0.2
59.01374	0.4
61.98831	0.4
77.04002	0.3
89.03970	0.3
90.26232	0.3
90.86066	0.2
91.01942	0.3
95.05019	0.6
95.90376	0.2
98.04433	0.3
100.29568	0.3
105.03455	2.7
107.05031	0.4
111.00840	0.3
117.03477	0.6
121.02969	0.6
123.04501	0.5
123.18486	0.3
132.02151	3.1
133.02959	24.1
134.03749	24.8
135.04533	25.7
137.02431	2.2
139.04028	1.2
147.04518	0.7
148.05392	0.4
149.06100	1.4
160.01669	16.0
161.02454	40.3
175.04010	10.5
177.01912	1.2
178.02684	1.2
179.03499	16.8
193.05077	6.2
232.04558	0.4
469.33282	1.3
589.35840	0.6
596.66168	0.4
663.39178	100.0
664.39795	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	663.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52271	0.2
52.06775	0.2
53.39246	0.2
53.84540	0.2
55.33220	0.2
57.03460	1.0
57.38479	0.2
57.96543	0.2
59.01390	1.5
60.30247	0.2
60.99323	0.8
63.55358	0.2
67.01896	3.7
68.93719	0.2
69.03463	0.5
71.01382	4.4
81.03471	1.1
83.05044	0.9
85.02960	5.1
85.03394	0.3
87.00878	6.8
87.01370	0.3
93.03459	24.6
99.00911	0.4
99.04517	4.5
109.02986	0.8
111.04530	4.3
115.00396	1.0
119.05032	9.2
127.04029	1.7
129.01967	0.5
130.08751	1.0
136.79686	0.2
145.02968	2.5
148.42007	0.2
155.03516	0.5
163.04019	8.7
172.09825	0.4
173.04572	8.0
191.05652	100.0
192.05984	0.9
194.03271	0.2
197.20262	0.2
215.05595	0.4
294.44345	0.2
337.09375	25.0
353.84741	0.2
432.63220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02105	0.2
57.03461	1.2
57.03720	0.2
59.01388	2.5
60.99311	0.7
67.01892	4.8
67.02223	0.2
69.03467	0.7
69.12850	0.2
71.01382	3.7
72.99322	0.2
81.03482	0.8
83.05045	1.2
85.02971	1.2
85.77864	0.2
87.00905	0.9
93.03456	29.2
99.00892	0.4
108.02159	0.2
109.02978	0.8
111.00900	1.2
111.04524	6.4
113.02505	0.2
121.02960	22.9
127.04029	0.3
134.03734	1.9
137.02452	5.0
150.23114	0.2
152.24466	0.2
155.03525	4.2
173.04570	100.0
174.04892	0.4
184.20264	0.2
191.05640	8.4
193.05089	0.9
231.62596	0.2
295.08270	22.2
296.08691	0.3
367.10571	1.7
475.32022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3969
Annotation	Soulieoside C
Peak:m/z	Relative Intensity
57.17836	1.4
59.01392	100.0
61.98844	2.6
64.46374	1.4
71.01393	2.4
77.99367	1.3
78.95928	2.0
90.40804	1.5
131.03557	3.5
148.30946	1.4
149.10983	1.6
315.33167	1.6
455.31552	2.0
472.27505	1.8
601.37823	14.9
628.29425	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	661.3977
Annotation	Soulieoside C
Peak:m/z	Relative Intensity
51.41014	0.4
55.32833	0.4
56.53695	0.4
59.01392	14.3
60.08427	0.4
61.98833	0.6
63.86478	0.4
71.01389	3.7
89.02472	3.0
101.02413	0.5
116.92850	1.0
117.92893	0.7
169.65959	0.5
350.25513	0.5
469.33060	1.8
487.34457	2.5
540.59100	0.5
601.37598	100.0
602.37854	2.9
657.74713	0.6
661.32196	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	661.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20950	1.1
56.85228	1.1
59.01394	6.8
61.98857	1.9
62.42923	1.2
72.69851	1.3
94.23822	1.2
94.57643	1.1
108.02634	1.2
113.72001	1.5
115.47646	1.4
118.92674	1.2
121.02953	1.3
251.02684	1.6
282.65958	1.5
339.03314	1.7
412.26404	1.8
503.33926	31.3
535.27954	1.4
661.32910	100.0
662.33704	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	661.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35916	1.0
51.39740	1.0
59.01392	100.0
59.85828	1.1
61.84470	1.2
61.98850	1.1
71.01394	38.8
72.99328	1.9
78.95916	2.3
83.01418	2.2
85.02979	7.0
87.00914	6.8
89.02458	38.4
95.01431	1.5
100.00098	1.2
101.02454	20.7
106.74188	1.3
113.02464	18.4
117.39185	1.1
119.03496	11.6
145.03033	1.2
161.04572	2.3
179.05617	11.5
277.21762	81.9
291.23282	2.4
301.21817	1.6
319.22818	2.1
323.09909	18.0
341.10883	29.4
441.82236	1.3
601.31891	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	661.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.0
59.01390	6.9
65.52592	0.5
69.03481	2.4
71.01391	4.7
71.81898	0.5
73.02959	2.3
73.29910	0.5
76.57729	0.6
81.03474	2.3
83.38434	0.6
85.02955	4.4
87.04517	6.8
88.98830	3.3
89.02458	0.7
93.03466	2.3
95.01418	1.1
96.75928	0.5
96.96032	1.0
97.02985	1.4
97.82732	0.6
99.00890	0.6
99.04530	0.6
101.02436	0.8
107.05025	0.6
107.77502	0.6
108.02187	75.4
109.02960	39.3
112.18257	0.6
113.02470	2.5
119.05003	1.0
121.02960	2.8
122.03766	0.6
123.00870	0.9
123.04520	1.0
125.02456	1.2
125.06075	0.9
127.16573	0.5
135.04561	1.4
135.08234	1.3
137.02437	1.2
137.06084	0.8
137.09714	7.4
139.07664	0.8
139.11354	0.7
145.03003	0.7
150.14307	0.6
151.04085	0.7
152.01175	100.0
153.01959	37.6
155.10799	46.5
163.04027	3.4
165.01978	0.7
167.10864	0.6
167.85744	0.6
169.12396	0.8
179.10812	3.3
181.07233	1.3
181.08733	3.7
191.05655	4.1
191.10770	1.0
195.98013	0.6
199.09802	12.4
213.05865	0.6
213.11412	2.0
237.11632	0.5
239.16461	0.6
241.10844	2.6
245.09253	0.6
255.12505	1.3
259.22507	0.7
283.11932	3.8
497.16794	8.4
541.08264	0.6
661.23688	98.3
662.24219	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	661.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86609	0.2
52.13400	0.2
54.08087	0.2
55.01896	0.4
55.02659	0.2
57.03458	0.3
58.00616	0.5
59.01390	26.5
71.01392	12.8
72.99323	0.5
73.02966	1.4
75.00899	0.2
83.01411	1.1
85.02980	3.1
85.06608	11.5
87.00902	1.1
89.02459	15.4
89.77876	0.2
93.03448	0.3
95.01402	1.4
96.96028	0.4
101.02457	9.9
113.02467	6.0
113.06100	2.6
115.07664	1.6
117.01540	0.2
119.03526	5.5
119.05042	1.4
121.02954	2.4
127.07657	1.4
131.03467	0.5
131.07152	52.4
135.04536	0.5
143.03546	0.3
150.03217	1.5
161.04619	0.3
163.03986	1.1
165.01889	0.4
165.05539	1.8
171.06688	0.5
173.08203	1.4
179.03578	0.4
179.05708	0.3
180.04276	0.6
191.05670	3.0
195.06598	1.9
293.12488	100.0
294.12799	1.2
301.08780	0.3
305.23969	0.3
431.22028	0.3
439.16257	0.5
607.74207	0.3
628.69043	0.3
661.20764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87093	0.1
69.29510	0.1
71.01385	17.4
77.03976	0.2
86.28027	0.1
92.10821	0.2
96.96014	0.3
102.85742	0.1
115.00385	8.3
121.02960	100.0
122.03304	0.6
174.09088	0.1
191.05621	0.2
237.04079	10.4
355.52109	0.1
427.20746	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	661.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
58.00616	0.6
59.01382	7.0
59.37424	0.3
60.99335	0.5
69.03448	1.5
71.01386	3.8
72.99326	0.4
73.02962	2.7
74.15296	0.4
75.00883	0.6
80.68687	0.6
81.03477	2.7
83.01412	0.7
85.02956	5.3
87.04519	7.5
88.98818	4.3
89.02485	0.9
92.56488	0.4
93.03481	2.9
95.01393	1.6
96.96051	0.8
97.02966	2.3
97.06595	0.4
99.00885	0.4
99.04552	0.7
101.02463	1.9
107.05025	0.4
108.02197	72.4
109.02977	40.1
111.04523	0.8
113.02496	0.8
117.03439	0.5
119.05058	0.5
121.02988	3.7
122.03796	0.4
123.00885	1.7
123.04516	1.7
125.02454	2.9
133.02989	0.6
135.04530	1.8
135.08151	2.1
137.02505	0.6
137.06097	0.6
137.09727	9.7
139.07607	0.5
145.02948	0.6
151.04012	0.8
151.11302	1.0
152.01180	100.0
153.01964	36.9
154.02327	0.6
155.10803	44.3
161.02481	0.6
163.04012	2.9
163.11325	0.6
165.01990	0.5
167.10818	0.5
168.00639	0.7
169.12395	2.1
179.10791	3.3
181.08736	2.9
189.49907	0.5
191.05620	6.1
191.10747	1.0
195.10284	2.6
199.09804	11.0
209.11850	0.5
213.11253	0.8
223.09810	0.6
227.12898	0.6
241.10899	4.1
255.12402	1.9
283.11938	4.7
312.33047	0.5
453.17651	1.7
497.16687	10.8
567.96790	0.5
661.23669	99.1
662.24585	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	45.3
61.45106	3.1
61.98838	18.4
71.01390	18.4
73.02927	5.2
75.00892	6.2
78.95861	3.8
82.16493	3.5
85.02961	7.5
87.00877	4.9
89.02459	9.2
93.03452	7.9
94.77395	4.0
96.96021	100.0
101.02444	16.6
119.05068	4.1
121.02951	34.4
135.04521	6.2
137.02515	5.4
171.10072	4.5
173.04562	8.3
177.01944	6.0
177.03763	3.5
178.12672	4.2
179.03465	21.1
191.05608	24.8
194.05789	19.4
209.08226	9.3
209.11746	5.4
238.05031	4.4
335.22137	7.5
468.54077	4.7
625.38477	7.7
661.35773	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	661.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06490	0.6
54.52114	0.7
54.82419	0.9
59.01391	4.1
71.01385	0.9
74.27711	0.9
78.95912	3.5
85.02959	3.3
87.00884	2.1
89.49432	0.8
93.03483	5.6
96.96009	4.4
96.97021	1.0
99.81744	0.9
108.02177	1.0
110.76674	0.8
121.02967	2.1
122.03723	4.5
133.02980	5.0
135.04541	8.0
136.01700	0.8
137.02457	8.5
149.02446	19.7
150.03236	61.4
151.03990	1.4
161.02557	1.4
163.04097	1.2
164.04794	6.7
165.01936	32.5
165.05580	67.7
166.02888	1.0
168.04344	1.1
173.04602	1.1
179.03506	6.7
180.04308	41.6
191.05638	40.4
192.05994	1.2
195.06644	100.0
211.32428	1.0
235.01212	0.8
243.08681	4.8
301.07233	4.5
307.08395	1.0
316.09479	2.1
331.11984	14.6
340.26135	0.9
353.08835	4.0
391.14075	10.6
439.16193	67.5
440.16852	1.4
623.38379	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44295	1.1
58.86506	1.1
59.01388	100.0
59.65465	1.2
61.98841	3.2
64.28777	1.1
64.41609	1.1
77.99670	1.4
100.54183	1.3
152.50519	1.2
160.60840	1.2
510.60318	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17479	0.7
59.01387	100.0
61.98817	1.1
65.87853	0.8
76.58030	0.8
78.95911	1.4
86.10748	0.8
139.15138	0.9
167.50294	0.7
235.14755	0.8
247.96529	0.9
555.23199	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72152	2.5
56.84946	3.1
57.03477	4.3
57.52686	3.2
59.01389	67.2
60.38526	2.8
61.98847	17.6
62.63141	3.0
71.01385	35.9
71.05035	4.0
73.02940	3.6
75.00877	46.4
83.05032	7.1
85.02955	26.1
87.00888	5.2
89.02458	6.9
93.03483	6.8
96.96017	18.5
99.00892	4.7
101.02458	19.0
104.43439	3.3
109.02953	4.2
113.02460	6.9
120.05830	4.0
121.02944	26.2
125.02488	4.7
127.04006	15.4
129.01924	8.4
135.04533	4.0
135.08177	45.6
137.02438	7.2
139.07675	7.5
145.03027	5.5
149.06068	5.2
163.03992	4.2
173.04567	12.8
175.03975	4.3
175.07709	4.3
177.04041	23.6
179.03476	7.4
191.05646	15.9
194.05887	19.1
209.08194	6.9
209.11877	6.5
245.32211	4.2
329.13943	17.1
329.23425	29.3
335.22366	8.4
447.30850	4.0
483.33145	5.8
499.29083	4.3
519.11920	3.9
601.34259	5.7
617.39368	7.3
661.38422	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	659.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50939	0.2
56.29305	0.2
59.01389	31.6
60.55089	0.3
64.52792	0.2
64.54433	0.2
74.02482	0.5
85.02975	0.3
93.03472	1.7
96.53292	0.2
108.02213	0.5
109.02950	0.6
111.11744	0.3
121.02976	1.4
121.75071	0.3
123.00877	0.3
127.11281	4.3
135.04535	0.4
139.11305	1.8
152.01202	0.6
153.01917	0.6
155.10803	2.6
157.12350	24.3
173.04688	0.3
177.27982	0.3
185.11853	15.2
191.05637	2.3
192.05942	0.3
199.73048	0.2
201.11385	0.4
203.12929	100.0
204.13271	1.6
245.13968	40.9
246.14284	0.4
255.03015	0.5
285.04083	0.3
300.02847	0.4
301.03470	0.3
319.66916	0.3
473.10919	0.5
473.61371	1.2
474.11237	1.1
506.97607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	3.7
61.81256	4.1
61.98852	4.9
67.01262	4.2
76.58085	4.9
80.98424	3.7
99.92588	4.7
107.41029	4.6
116.92839	43.2
121.03011	8.5
124.63763	4.1
162.88454	4.3
215.41083	5.4
239.16228	4.3
255.03159	4.2
453.30164	51.0
600.71771	4.5
611.29065	52.4
659.31189	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	659.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74958	0.5
53.50776	0.5
55.01888	0.9
57.03473	0.9
59.01386	17.2
61.98842	2.4
69.03474	0.7
71.01385	14.2
72.99331	0.7
73.02949	5.2
75.00883	0.9
77.23743	0.5
80.02672	1.3
81.03471	1.0
83.01397	2.3
83.05024	4.9
84.02201	0.9
85.02965	3.0
85.61479	0.6
87.00892	1.0
89.02453	7.1
90.16893	0.5
92.33205	0.5
93.03460	0.7
93.41613	0.7
95.05034	1.1
97.06603	3.4
101.02444	18.9
105.87676	0.7
106.89592	0.6
113.02438	5.7
114.38943	0.6
119.03520	3.7
121.02959	100.0
125.02442	1.2
125.09726	0.7
131.03514	0.8
135.04533	55.9
135.08151	1.1
146.11266	0.6
151.11299	16.4
161.04570	4.9
163.04045	8.6
163.11356	3.3
165.12869	1.4
169.12360	83.5
170.12715	0.9
173.04616	1.0
176.99348	0.6
191.05704	0.7
193.05092	1.0
195.10316	1.4
197.11952	0.7
197.44533	0.6
209.11885	57.6
210.12123	0.8
211.06215	0.7
211.13309	0.8
213.11415	9.0
223.06155	5.2
227.12970	4.3
235.08379	0.9
253.09311	1.5
283.08295	5.6
316.96448	0.6
325.09375	3.8
334.40771	0.6
374.57336	0.7
449.20230	5.7
527.31451	0.8
641.32220	1.3
659.33014	74.8
660.33838	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
59.01386	12.2
60.94592	0.8
61.98841	0.9
64.42308	0.7
71.01392	9.8
73.02966	4.2
77.07706	0.8
83.05038	1.1
84.03547	0.8
85.02970	0.8
88.82819	0.9
89.02480	1.6
93.03482	1.7
97.06558	1.1
101.02456	12.4
105.28230	1.0
113.02463	4.6
116.92915	1.1
119.03512	3.7
121.02959	100.0
125.73372	0.9
135.04535	52.8
137.02469	0.8
150.06836	0.8
151.11340	3.6
161.04601	4.1
163.03973	6.9
169.12357	20.0
169.13683	1.4
173.04514	3.3
191.05588	1.4
193.05055	1.1
209.11917	8.1
211.06104	1.0
211.13446	1.7
213.11507	1.4
223.06145	3.8
283.08310	4.7
325.09372	4.2
373.01511	0.9
402.10495	1.0
426.88846	0.9
659.33105	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53934	0.8
56.42162	0.8
57.03450	0.8
59.01388	9.6
68.76589	0.8
71.01396	5.8
73.02956	2.2
74.02488	4.5
81.03488	3.7
83.05064	1.1
85.02940	6.6
87.04529	6.1
93.03453	4.1
95.01384	1.4
96.96045	1.3
97.02969	1.3
101.02473	2.1
107.01421	0.9
108.02187	72.9
109.02970	51.6
113.02444	1.5
116.05093	1.8
121.02962	5.6
123.00898	3.7
123.04574	1.0
125.02437	1.6
135.04567	1.1
137.02425	1.7
137.09753	8.8
145.02965	1.2
149.02489	1.9
151.04021	1.7
152.01176	100.0
153.01959	43.3
153.09155	1.2
155.10811	39.3
163.04063	3.4
167.03563	1.7
167.10921	1.0
179.10771	3.5
181.08714	3.6
191.05745	7.2
191.10759	1.6
195.10211	1.5
199.09827	11.4
203.08276	4.9
203.12865	2.0
241.10872	2.1
245.09364	5.5
255.02974	1.1
279.07559	1.1
283.11810	1.8
305.94388	1.0
313.08423	1.3
391.39462	1.0
453.17926	1.5
497.16727	73.6
498.17105	1.1
537.00903	0.9
539.17535	8.6
599.20135	4.8
657.55292	1.1
659.21777	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	11.5
60.99318	0.8
61.41058	0.3
66.34633	0.3
67.01895	4.2
69.03470	0.7
71.01385	3.4
73.02967	0.7
81.03470	1.2
81.79470	0.3
83.05043	0.5
85.02958	7.2
87.00874	6.0
89.02454	0.5
93.03461	28.1
94.08931	0.3
96.32475	0.3
96.96045	1.4
97.02947	0.4
99.00890	0.6
99.04527	0.4
101.02451	2.4
109.02978	0.8
111.04535	4.6
113.02457	1.3
119.05028	10.3
121.02958	1.5
127.04028	1.7
129.01927	1.3
133.02969	3.5
135.04529	0.7
137.02464	3.0
145.02963	1.7
150.03238	0.4
153.01959	0.4
155.03542	0.7
161.04541	0.5
163.04033	9.5
165.05562	0.4
165.52260	0.3
173.04565	16.7
177.01953	0.5
179.03554	0.3
191.05653	100.0
192.05951	0.5
193.01428	0.3
193.05019	0.3
196.03827	0.5
197.78964	0.3
211.06133	1.1
223.06174	0.4
233.49397	0.3
235.11913	2.2
277.12906	0.6
337.09363	23.1
338.09924	0.4
351.07416	0.6
353.08569	0.5
452.07544	0.5
646.23694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53934	0.8
56.42162	0.8
57.03450	0.8
59.01388	9.6
68.76589	0.8
71.01396	5.8
73.02956	2.2
74.02488	4.5
81.03488	3.7
83.05064	1.1
85.02940	6.6
87.04529	6.1
93.03453	4.1
95.01384	1.4
96.96045	1.3
97.02969	1.3
101.02473	2.1
107.01421	0.9
108.02187	72.9
109.02970	51.6
113.02444	1.5
116.05093	1.8
121.02962	5.6
123.00898	3.7
123.04574	1.0
125.02437	1.6
135.04567	1.1
137.02425	1.7
137.09753	8.8
145.02965	1.2
149.02489	1.9
151.04021	1.7
152.01176	100.0
153.01959	43.3
153.09155	1.2
155.10811	39.3
163.04063	3.4
167.03563	1.7
167.10921	1.0
179.10771	3.5
181.08714	3.6
191.05745	7.2
191.10759	1.6
195.10211	1.5
199.09827	11.4
203.08276	4.9
203.12865	2.0
241.10872	2.1
245.09364	5.5
255.02974	1.1
279.07559	1.1
283.11810	1.8
305.94388	1.0
313.08423	1.3
391.39462	1.0
453.17926	1.5
497.16727	73.6
498.17105	1.1
537.00903	0.9
539.17535	8.6
599.20135	4.8
657.55292	1.1
659.21777	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48930	0.2
57.03461	0.2
58.02980	0.4
59.01380	1.8
65.20480	0.2
70.74679	0.2
71.01379	1.8
72.99323	0.4
73.02951	2.7
74.02463	1.5
74.89321	0.2
78.95869	0.2
83.01421	0.2
83.45214	0.2
84.04543	0.3
85.02959	0.9
87.00887	1.0
89.02462	1.0
93.03477	1.6
96.96005	0.3
98.02477	0.3
99.00842	0.3
99.04597	0.2
101.02435	1.3
103.04044	0.2
105.57675	0.2
116.03542	0.4
119.04979	0.3
121.02956	100.0
122.03313	1.4
128.03609	0.3
131.03770	0.7
132.04532	1.2
133.03003	0.3
135.04524	1.0
137.02449	0.2
141.02248	0.2
144.04584	0.3
147.02988	0.2
157.07758	0.4
158.06076	0.8
163.04024	0.3
171.06662	0.8
173.04619	1.8
175.08710	0.9
179.03535	0.9
191.05659	4.4
200.05740	0.2
200.85036	0.2
201.06639	0.3
219.07759	0.9
219.44101	0.2
221.16878	0.2
261.08792	5.5
269.06683	16.4
293.12488	0.2
323.13467	0.5
350.20245	0.2
353.08749	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44667	0.4
58.02986	13.3
59.01389	4.9
67.01920	0.4
70.02993	1.1
71.01406	0.6
73.02992	0.6
74.02485	13.5
84.04567	6.9
85.02959	5.2
86.02522	1.6
86.06145	0.6
87.90239	0.5
92.05065	4.0
92.10125	1.1
93.03482	3.3
98.02496	6.8
109.02972	0.4
110.02509	2.1
111.04518	0.9
116.03555	8.7
118.03021	1.9
118.06715	0.6
121.02918	0.5
121.61312	0.4
127.04012	1.0
128.03546	15.8
130.06660	2.5
131.03777	27.2
132.04572	27.1
132.05588	0.6
133.02940	0.8
135.04523	1.0
140.05109	1.0
144.04570	7.6
145.04170	0.4
146.04993	0.5
146.06140	3.1
147.05705	0.7
157.07727	26.1
158.06128	22.7
160.03970	0.7
161.02560	0.5
173.04608	1.8
173.11909	0.5
175.08788	19.5
179.03523	0.9
189.06676	2.7
191.05646	62.2
195.40742	0.4
199.08815	3.3
201.06659	4.8
201.11375	0.8
202.05055	0.5
217.09897	4.3
219.07788	20.1
219.12393	6.3
243.07809	3.5
261.08850	100.0
261.13406	2.4
262.09174	1.8
293.12469	1.7
305.07794	0.8
351.07230	0.7
353.08856	5.1
428.63950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85126	0.3
54.00599	0.4
55.27004	0.4
58.02979	11.1
58.03246	0.6
59.01385	3.1
59.59982	0.4
62.76481	0.4
67.01910	0.9
69.03461	0.5
71.01382	1.6
73.02956	0.9
73.82803	0.4
74.02474	6.5
75.70449	0.4
84.04540	4.0
85.02951	6.1
86.02475	0.8
87.00890	2.9
91.05572	0.4
92.05048	3.4
92.10223	0.5
93.03465	9.6
96.96052	0.7
98.02483	4.4
105.03481	2.4
109.02957	2.9
110.02489	0.5
111.04557	2.2
113.02459	0.4
116.03539	4.4
116.53896	0.4
118.02966	0.6
119.05087	0.9
121.02972	7.6
127.04037	2.9
128.02678	0.8
128.03554	10.7
130.06654	0.7
131.03784	15.8
132.03650	0.8
132.04570	17.5
133.02977	12.3
135.04518	5.8
137.02466	3.1
137.52649	0.4
138.05698	0.4
140.05099	0.8
141.54794	0.4
144.04538	4.4
146.05032	0.5
146.06177	2.6
157.07739	15.6
158.06119	13.4
158.08083	0.5
160.03981	0.5
161.02448	2.9
163.04027	0.6
173.04565	5.4
175.08760	12.5
177.02020	3.7
179.03546	3.5
189.06636	1.6
190.94896	0.5
191.05643	100.0
192.06026	0.8
199.08771	2.8
201.06741	2.4
215.05666	4.1
217.09833	2.6
219.07779	13.6
243.07709	1.8
261.08844	69.4
262.09140	0.7
295.08386	0.6
305.07764	0.6
307.08331	0.6
339.05118	0.6
351.07260	8.5
353.08890	7.9
367.73981	0.5
444.60178	0.6
573.38269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69781	0.5
59.01394	100.0
59.50725	0.5
61.98850	1.1
67.01450	0.5
122.86248	0.5
141.01720	36.2
167.44797	0.6
174.29181	0.7
232.83730	0.7
277.21741	4.8
296.31961	0.7
397.96472	0.7
502.29358	2.6
549.01044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16574	0.4
58.02983	7.0
59.01398	3.1
64.14440	0.4
67.01897	0.8
71.01402	0.8
72.80530	0.4
73.02959	0.6
74.02475	5.5
84.04545	3.6
85.02967	7.3
87.00906	2.9
90.53220	0.4
92.05078	2.8
93.03459	9.9
95.05003	0.6
98.02487	3.5
105.03439	1.3
107.05016	0.4
109.02956	2.7
110.02485	0.6
111.04552	2.4
116.03570	2.5
118.01815	0.4
118.02988	0.6
119.05070	1.2
121.02949	1.9
126.37644	0.4
127.04030	2.1
128.03545	7.3
130.06631	0.9
131.03775	15.1
132.04576	15.6
133.02966	12.5
134.03743	0.5
135.04549	6.2
137.02467	4.4
138.05559	0.5
140.05183	0.4
144.04573	3.3
146.06139	1.8
157.07713	13.3
158.06145	13.2
160.04041	0.7
161.02441	2.5
163.04048	1.7
171.06657	0.5
173.04567	5.8
175.08772	10.0
175.42992	0.5
177.01964	2.8
179.03494	2.4
189.06685	0.6
191.05646	100.0
192.06076	1.1
199.08813	2.7
201.06723	2.4
215.05734	4.7
217.09891	3.1
219.07796	10.4
223.90018	0.5
243.07816	1.1
255.71262	0.5
261.08853	55.3
262.09064	0.9
302.07822	0.5
305.07874	0.9
315.24332	0.5
351.07336	8.7
353.08838	6.9
359.07681	0.9
610.53448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	9.0
61.98841	2.6
63.00217	1.9
70.11937	2.5
71.01398	8.8
73.49557	2.1
87.33022	2.3
89.02465	1.9
90.33916	2.1
91.77164	2.2
100.32638	2.2
101.02475	5.1
107.70427	2.2
111.68546	2.1
113.02467	4.4
118.22969	2.5
165.12836	4.0
183.12668	2.4
183.13924	99.6
211.13454	100.0
232.41319	2.5
305.52655	2.0
372.66663	2.5
594.12207	2.6
657.35016	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28045	1.7
59.01386	13.7
61.98845	2.5
64.61688	1.5
68.99580	2.1
71.01398	3.1
71.21767	1.7
80.02618	1.9
83.05034	2.9
85.02943	2.9
87.00909	1.4
89.02465	2.5
96.96030	2.3
101.02461	3.4
112.98621	1.5
113.02487	1.4
114.49757	1.6
118.64099	1.6
121.02979	6.4
124.95885	1.5
135.04558	2.0
163.11249	2.2
165.12897	2.1
183.13857	6.4
191.05605	2.0
209.09885	3.3
209.11871	100.0
211.13454	65.4
227.12926	14.1
234.24484	1.6
253.09366	6.2
447.22540	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	657.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83238	11.2
57.18294	10.6
59.01389	86.9
61.98836	51.9
63.52316	13.3
67.46003	10.7
68.99599	12.8
71.01389	16.6
93.03471	18.9
96.96002	27.8
121.02962	17.2
124.26760	12.4
135.63919	14.3
141.01659	17.2
153.56285	14.6
176.96335	13.2
191.05536	19.3
209.11819	100.0
211.13409	77.5
221.87595	14.5
332.89917	14.6
336.12100	15.3
423.85165	15.3
476.43195	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	657.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11280	0.2
59.01387	6.3
61.98839	1.6
71.01384	3.4
73.02953	1.1
75.00900	0.2
78.76067	0.2
78.95910	1.0
83.01396	0.2
83.05091	0.3
85.02972	1.1
87.00871	0.3
89.02449	1.5
89.83472	0.2
93.03468	1.4
93.66356	0.2
96.96014	2.7
97.59208	0.2
101.02448	1.8
108.02192	1.1
109.02994	0.5
110.98447	0.2
111.04485	0.3
113.02450	1.3
117.03466	2.8
118.03797	0.5
119.03480	0.3
119.05005	0.8
121.02957	100.0
122.03301	0.3
122.37791	0.3
125.02457	0.4
133.02907	0.3
134.03763	0.3
135.04527	7.3
137.02466	1.8
145.02960	7.8
146.03305	2.0
147.03589	0.5
151.00311	0.4
152.01143	1.2
152.99634	0.3
153.02022	0.3
155.10796	0.3
161.04552	0.9
163.04005	1.6
171.10379	0.3
173.04526	1.3
191.05719	1.0
193.05109	0.4
209.11894	0.5
211.06081	0.3
223.06174	0.2
226.58171	0.2
240.84264	0.3
245.06735	0.3
275.85608	0.2
283.08368	0.9
359.24274	0.3
391.17502	0.3
475.21802	1.7
596.11414	0.3
597.25623	1.2
657.34131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.4
62.77943	0.2
71.01405	0.4
72.78001	0.2
73.02954	0.7
75.00864	0.3
89.02422	0.3
93.03463	0.8
99.00925	0.3
101.02450	0.2
117.01976	0.3
121.02966	100.0
122.03305	1.2
127.16423	0.2
135.04446	0.2
137.02457	0.4
147.02983	0.2
155.10863	0.3
166.02704	0.3
173.04602	0.4
181.05110	0.3
191.05632	0.8
194.99307	0.2
199.09796	0.4
200.34509	0.2
221.59142	0.2
239.05641	16.7
269.06711	0.3
412.62726	0.2
417.15820	0.2
615.89532	0.2
640.33258	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13721	0.2
51.49394	0.2
54.47218	0.2
55.01898	0.4
57.03454	0.9
58.00586	0.3
59.01387	100.0
61.98845	0.3
69.03466	0.5
71.01385	14.0
71.01781	0.5
72.99314	0.4
73.02953	4.0
75.00875	1.3
76.93141	0.2
82.95437	0.2
83.01398	1.5
85.02953	6.1
87.00883	0.4
89.02445	9.3
93.03447	0.7
95.01386	2.3
97.02935	0.4
101.02448	10.2
109.02988	0.3
113.02458	12.8
113.03258	0.4
119.03500	3.7
119.05058	0.3
119.10869	0.2
121.02964	1.2
131.03488	2.2
135.04553	0.4
137.02464	0.3
143.03496	1.3
149.04550	2.2
152.01126	0.3
159.02982	0.2
161.04565	4.4
163.04008	0.3
173.04626	0.4
179.05615	1.3
191.05666	2.4
193.05080	0.2
196.16768	0.2
221.06639	1.0
325.13031	1.4
360.08572	0.2
596.29913	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59174	0.2
50.80431	0.2
52.79018	0.2
53.68069	0.2
55.01902	0.3
55.94610	0.2
59.01389	2.4
59.43644	0.2
71.01390	5.4
71.37566	0.3
73.02958	1.7
81.03469	0.3
83.01421	0.6
85.02965	3.6
87.00880	0.4
93.03447	0.5
95.01392	0.6
99.00938	0.3
101.02454	3.2
108.02188	75.2
109.02968	29.2
110.03273	0.3
113.02460	2.4
114.02827	0.5
121.02946	1.3
123.00958	0.4
123.04507	1.3
133.02980	0.5
135.04529	0.3
149.06099	0.3
151.03979	1.1
152.01170	73.7
153.01959	25.9
153.02988	0.3
153.03262	0.3
159.02983	0.3
161.04503	0.6
163.04007	1.8
165.01956	2.2
181.05026	0.3
191.05582	0.3
195.62730	0.3
246.49896	0.3
313.09311	2.5
314.09747	0.6
315.07263	100.0
316.07559	1.1
393.53989	0.3
631.94019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.8
61.98840	33.0
71.01390	2.3
73.02944	0.5
74.41844	0.3
75.00889	0.8
85.02976	1.5
87.00894	0.7
91.01982	0.4
93.03452	2.7
96.96064	0.3
101.02460	0.6
107.01418	2.2
108.02214	0.5
108.99834	0.3
109.02985	1.5
119.05092	0.5
121.02968	2.0
127.72678	0.3
135.00926	1.3
135.04599	1.5
137.02409	0.5
139.46936	0.3
143.05045	0.6
152.01170	0.5
153.01991	0.5
157.06610	0.5
159.04576	0.9
163.00400	3.1
169.06639	0.5
173.04573	0.8
183.13864	0.4
185.06085	3.3
187.04056	3.9
189.05637	2.0
191.05602	2.8
195.04680	1.5
197.06119	0.9
199.04060	1.4
201.05609	0.8
211.04050	2.3
213.05635	2.7
227.03543	9.6
229.05096	17.5
239.03534	2.0
240.04297	1.4
241.05168	2.4
255.03044	9.9
256.03824	0.7
257.04626	8.8
267.03055	1.5
284.03305	7.4
285.04102	100.0
286.04443	0.6
353.49731	0.4
411.51077	0.5
448.66367	0.4
593.15277	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52423	0.3
54.82124	0.3
59.01394	10.3
60.01727	0.4
61.98845	6.5
71.01408	1.9
73.02967	0.5
73.90965	0.3
80.68513	0.3
83.01417	0.5
84.15617	0.3
85.02979	0.4
86.54296	0.4
87.00893	0.8
93.03470	2.3
94.76616	0.4
99.00844	0.4
106.72609	0.3
111.04478	0.4
113.02430	0.7
117.03479	39.7
118.03813	10.3
119.05027	3.1
121.02943	2.7
134.03745	0.5
145.02974	100.0
146.03317	29.7
146.04503	0.7
163.00455	0.4
163.04050	2.3
165.32260	0.4
173.04543	6.2
174.04881	0.4
227.03461	3.7
229.05148	1.5
255.03041	7.6
257.04639	0.4
284.03302	9.6
285.04114	9.3
295.08255	1.8
305.01584	0.3
307.08182	0.4
391.18793	0.5
462.48248	0.4
553.16101	0.5
554.16119	0.8
578.31110	0.4
593.13147	9.7
595.16699	0.5
596.17072	1.9
614.04437	0.4
614.18311	0.8
655.18658	0.8
656.19519	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	656.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59217	0.6
59.01390	8.7
61.98840	68.8
63.02449	0.6
71.01049	0.8
71.01408	4.4
73.02981	1.2
77.96435	0.7
83.01401	1.2
85.02982	0.8
87.00848	0.7
89.02459	1.3
89.80882	0.6
92.10724	0.8
93.03462	3.0
101.02448	2.6
105.91119	0.6
107.01417	3.9
113.02498	1.3
117.02643	1.1
117.03474	33.5
117.04268	1.5
118.03831	7.4
119.05017	6.2
120.17487	0.7
121.02989	2.9
125.02431	0.8
137.02504	0.7
145.02979	87.3
146.02231	1.3
146.03326	21.0
151.00389	6.4
163.00351	1.7
163.04089	4.3
164.01184	0.8
183.04504	0.8
185.06129	1.3
187.04025	2.7
191.05600	2.8
197.06053	1.1
199.04021	0.9
211.04102	3.6
213.05539	0.7
227.03557	42.9
228.04147	1.2
229.05017	6.8
239.03471	1.2
241.05202	1.5
255.03053	73.7
256.03909	7.2
257.04672	6.5
284.03320	100.0
285.04105	60.1
317.16711	0.8
434.84348	0.8
447.09418	1.7
593.13159	88.5
594.13751	3.0
656.18945	1.5
667.57690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27982	2.7
59.01383	4.9
61.78963	2.8
61.98845	5.2
65.91131	3.7
76.13905	3.0
78.95911	5.5
80.59045	2.9
117.03474	16.8
119.05044	21.4
143.18962	3.5
145.02965	70.4
160.03812	3.4
379.81400	3.5
510.38406	3.9
617.38678	13.3
655.36255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39277	63.1
74.66455	74.1
77.95950	68.4
80.38018	66.4
163.75211	85.5
385.51456	72.7
422.92542	85.6
520.97583	100.0
527.77136	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73653	2.4
52.07135	2.7
56.34709	2.9
59.01390	8.3
61.98841	20.5
92.10213	4.0
129.98618	3.9
138.98221	3.7
209.11893	6.5
250.01900	3.6
362.38345	3.4
655.39990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99941	0.2
59.01387	100.0
61.98841	0.3
71.01400	1.2
74.68040	0.2
81.62582	0.2
84.09329	0.3
96.99315	5.2
101.52309	0.3
117.00446	0.4
125.89172	0.3
141.01715	35.6
150.08574	0.3
151.07906	0.3
155.01950	0.4
164.00259	0.2
173.02994	0.3
201.02473	0.3
275.06241	2.7
277.21765	2.3
302.33731	0.3
350.14209	0.3
359.21786	0.6
391.19608	2.1
418.76660	0.3
462.84021	0.3
535.27637	2.9
595.29810	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3624
Annotation	Mauritine J
Peak:m/z	Relative Intensity
57.27982	2.7
59.01383	4.9
61.78963	2.8
61.98845	5.2
65.91131	3.7
76.13905	3.0
78.95911	5.5
80.59045	2.9
117.03474	16.8
119.05044	21.4
143.18962	3.5
145.02965	70.4
160.03812	3.4
379.81400	3.5
510.38406	3.9
617.38678	13.3
655.36255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36534	1.2
56.23714	1.4
58.95512	1.1
59.01385	23.3
61.98837	14.9
71.01388	10.8
73.02945	2.8
85.02958	2.4
89.02437	2.0
91.54042	1.3
96.96011	3.2
101.02459	10.2
101.63210	1.4
113.02449	5.8
119.03493	1.8
121.02954	100.0
122.26672	1.4
125.02452	10.6
135.04529	59.0
141.01743	3.5
148.93277	1.3
163.03963	8.6
167.10748	11.4
203.65855	1.6
209.11862	20.3
223.06073	1.9
225.11374	2.7
229.80771	1.6
253.09209	1.7
320.11832	1.5
394.54715	1.8
427.12555	3.3
655.35974	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	655.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96895	0.5
54.82398	0.5
59.01387	11.0
59.17997	0.5
61.98839	1.3
69.03473	1.4
71.01375	7.4
73.02950	2.7
85.02958	2.2
88.73917	0.6
89.02438	2.4
95.01410	0.6
96.96002	0.7
97.02963	2.5
101.02443	6.5
113.02474	2.6
119.03516	0.7
121.02958	100.0
125.02454	8.9
135.04529	53.2
141.01692	0.8
143.03444	0.8
145.03036	0.9
161.04558	1.2
163.03998	9.1
164.32544	0.6
167.10777	11.9
191.05687	0.6
200.82472	0.6
209.11876	11.5
209.26945	0.6
223.06133	3.6
225.11481	0.9
227.12877	0.6
241.05698	0.6
251.76044	0.7
257.57986	0.6
283.08255	1.2
325.09286	3.8
367.10263	1.4
413.69559	0.8
427.12631	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	655.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55184	0.5
55.01897	7.2
56.53045	0.4
57.03459	4.4
57.06618	0.5
59.01387	32.1
64.58405	0.5
69.03481	0.6
71.01386	51.1
72.99324	1.4
73.02948	23.2
75.00867	0.8
76.57738	0.6
83.01399	11.6
85.02956	28.8
86.00126	0.6
87.00904	2.1
89.02448	3.8
95.01411	4.7
97.02969	0.8
98.68018	0.6
99.00882	8.0
101.02450	49.2
107.05066	0.8
113.02462	22.8
125.02484	1.2
129.01904	0.9
143.03534	0.8
159.03049	5.8
161.04590	18.0
162.61298	0.6
214.07458	0.6
269.10352	11.5
301.77777	0.6
313.09354	100.0
314.09702	1.3
341.10974	1.0
385.38065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04595	0.1
55.01890	0.1
59.01391	0.3
71.01383	2.0
73.02943	0.1
77.03978	0.1
85.02943	0.1
89.02458	0.5
93.03455	0.2
99.00879	3.5
101.02449	0.8
110.16272	0.1
119.03517	0.2
121.02961	100.0
122.03283	0.5
126.47490	0.1
129.01996	0.1
129.90736	0.1
137.02492	0.5
147.03015	6.9
153.81929	0.1
163.26776	0.1
269.06717	15.6
286.39850	0.1
614.38983	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	655.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82872	0.2
59.01388	7.6
61.98835	1.1
69.03450	0.2
71.01392	1.4
72.99272	0.1
73.02953	0.9
83.01395	0.7
85.02959	0.8
87.00879	1.6
89.02451	1.2
89.03967	0.2
89.22598	0.1
92.10137	0.3
93.03458	0.2
95.01415	0.2
96.96011	0.2
98.04746	0.1
101.02453	2.1
113.02459	1.1
115.04003	0.2
117.03474	36.8
118.03753	0.5
119.03549	0.3
119.05031	1.3
121.02942	1.0
122.76822	0.1
123.04585	0.1
125.02448	0.6
131.96474	0.1
137.02438	0.2
143.03548	0.2
145.02972	100.0
146.03339	0.7
147.04501	0.1
148.80051	0.1
161.04573	0.5
163.04056	1.3
173.04579	0.3
179.05710	0.2
191.05666	0.2
227.03531	0.6
239.31372	0.2
255.03000	1.1
284.03339	1.4
285.04095	1.0
304.30505	0.1
323.09885	0.5
341.10968	1.2
365.10645	0.2
381.34207	0.1
383.12015	1.6
407.11954	0.2
412.19882	0.1
425.13043	1.6
467.14243	0.8
477.01184	0.1
510.91653	0.1
593.13342	1.1
613.18579	0.6
655.18939	2.6
655.35181	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11304	0.2
59.01392	10.2
59.77436	0.2
59.84836	0.2
71.01400	0.5
73.02924	0.3
75.00880	0.4
80.67396	0.2
83.01359	0.2
85.02945	0.4
86.41839	0.2
87.00885	0.4
92.10930	0.2
93.03523	0.4
97.02944	0.2
101.02449	0.3
113.02464	0.4
117.03473	39.0
118.03789	0.2
119.05045	1.1
121.02964	0.8
135.03006	0.3
137.02415	0.2
145.02969	100.0
146.03304	0.9
163.04024	0.8
176.00607	0.2
281.83609	0.2
323.09808	0.3
365.10535	0.3
400.26416	0.2
407.12033	0.3
425.13245	0.5
477.30969	0.2
553.15924	0.5
595.16663	1.4
613.17426	0.3
655.19006	1.4
655.35059	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45165	0.1
54.28496	0.2
59.01388	10.6
61.98838	0.3
67.95010	0.2
68.51598	0.2
71.01385	1.0
73.02947	0.4
75.00877	0.2
75.13393	0.2
83.05046	0.2
85.02935	1.7
85.71782	0.2
87.00895	0.7
89.02443	0.3
89.27474	0.2
92.10161	0.3
93.03448	0.6
95.05042	0.2
97.02937	0.2
97.06561	0.2
101.02441	0.4
105.36358	0.2
108.02197	0.3
109.02983	0.3
111.04470	0.2
113.02473	0.4
117.03471	38.1
118.03799	0.3
119.05022	1.2
121.02982	3.3
135.04541	0.3
136.05292	1.1
137.02438	2.0
137.09694	0.2
143.03482	0.2
145.02968	100.0
146.03310	0.9
150.06857	0.3
154.98206	0.2
156.59344	0.2
160.01717	0.2
163.04062	1.1
165.09279	1.5
171.10297	2.0
171.64848	0.2
173.04507	0.3
191.05687	0.3
209.11841	0.9
211.13483	1.5
227.12889	0.2
229.14473	1.1
285.76694	0.2
289.07562	0.2
296.12704	0.2
323.09882	0.2
327.21808	8.2
375.71463	0.2
407.12045	1.2
467.13812	0.4
493.31503	0.4
655.37146	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	655.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67730	0.2
59.01385	8.9
71.01390	0.4
73.02974	0.3
85.02930	0.3
93.67782	0.2
95.25706	0.2
98.72131	0.3
101.02463	0.5
108.58324	0.3
113.02500	0.3
117.03471	35.9
119.05032	0.4
125.02397	0.3
129.03540	0.2
145.02968	100.0
146.03368	0.5
163.03998	0.4
283.84207	0.3
298.61575	0.3
305.08737	0.3
312.42126	0.3
365.10666	0.3
407.12085	1.6
449.13077	0.4
595.16980	1.8
619.41962	0.3
655.19122	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	655.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43951	2.0
59.01387	51.2
59.01653	2.6
61.98845	8.3
63.65866	1.5
69.03472	2.1
71.01399	7.1
75.00911	1.7
76.83360	1.5
78.95904	15.2
83.01394	1.9
83.05035	1.7
88.98805	2.4
89.02457	2.1
91.50716	1.7
93.03465	8.8
96.95995	1.5
101.02475	1.7
113.02457	2.0
116.92889	2.9
117.03465	40.3
117.62994	1.7
119.05000	2.5
121.02940	35.5
121.03740	2.0
125.82700	2.0
135.04535	6.2
137.02472	11.4
145.02960	100.0
152.99605	8.9
154.42482	1.6
163.03970	2.1
163.11320	2.1
173.04582	6.3
191.05608	7.1
191.10667	1.6
209.11902	20.4
224.71913	1.9
227.12856	2.4
284.10666	2.5
299.12823	3.4
311.09244	3.7
327.12488	1.9
376.36145	1.8
655.33173	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	655.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82888	0.2
56.00097	0.2
59.01384	10.0
64.87344	0.2
67.98578	0.2
71.01382	0.5
73.02953	0.2
78.73099	0.2
80.17683	0.2
83.01425	0.2
85.02965	0.4
87.00896	0.4
92.10772	0.5
98.91633	0.2
99.20802	0.2
101.02467	0.3
112.49534	0.2
113.02468	0.9
117.03471	37.1
118.03831	0.3
119.05042	1.2
127.97997	0.2
135.04526	0.3
145.02968	100.0
146.03293	1.1
163.04021	0.4
182.47122	0.2
305.09009	0.4
323.09830	1.2
349.09299	0.3
365.10956	0.5
407.11969	1.3
467.14191	0.4
553.15643	0.4
572.83386	0.2
595.16724	2.0
655.18463	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80796	0.1
56.30072	0.2
59.01387	10.6
71.01400	0.2
81.12318	0.2
85.02953	0.6
87.00904	0.2
101.02428	0.3
107.26754	0.2
113.02464	0.8
117.03469	37.3
119.05022	0.9
125.02515	0.2
131.84337	0.2
143.03464	0.2
145.02968	100.0
146.03316	0.9
163.04021	1.0
257.37607	0.2
289.07416	0.2
323.09888	0.8
349.09485	1.0
365.11029	1.4
378.27313	0.2
407.11841	1.3
585.96948	0.2
595.17188	1.7
613.17767	0.4
655.18744	1.6
673.11072	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84136	0.6
59.01389	0.6
70.28690	0.5
71.01395	1.5
83.60991	0.6
89.02450	0.7
92.70004	0.6
93.03456	12.8
96.99349	0.8
106.04272	1.0
119.05025	100.0
121.02962	4.1
131.05028	1.6
132.05806	3.1
137.02455	7.6
143.05035	6.2
145.03049	0.8
145.06619	3.2
163.04019	78.3
171.28445	0.6
179.96562	0.8
211.07661	3.3
217.83231	0.6
221.09866	0.8
235.07596	0.9
237.09286	5.3
239.10811	2.9
253.13014	0.7
265.08795	6.9
283.09787	15.6
309.07822	0.8
317.16797	0.7
327.08786	95.8
328.09268	1.2
454.80087	0.6
553.52551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00003	0.9
58.06551	1.1
59.01414	1.3
78.95908	100.0
90.85430	1.0
93.29264	1.0
125.62962	1.1
145.02991	7.7
149.00113	4.9
152.99632	4.8
205.15970	2.3
255.23199	7.7
285.12650	4.6
319.05484	1.2
355.16663	2.1
386.33203	1.2
391.22638	1.2
447.13535	7.0
617.38562	2.1
653.30225	40.0
657.08868	1.2
673.42963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.2
61.98839	1.2
79.69983	0.3
87.22162	0.3
92.10771	1.1
111.86720	0.3
116.92824	0.6
117.03471	22.5
118.04276	0.3
119.05022	13.4
121.02946	2.8
133.02917	0.6
139.00854	0.3
145.02966	100.0
146.03299	0.7
147.04541	0.4
162.03288	1.2
163.03981	1.3
170.28632	0.3
238.97218	0.3
308.16113	0.3
453.33838	0.5
496.17157	0.3
497.32773	2.2
573.39917	0.4
617.38605	77.4
618.39020	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	653.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56098	1.9
59.01392	100.0
60.15094	2.3
61.98872	2.7
63.26212	2.2
65.30307	2.6
89.93362	2.9
119.05070	4.5
121.02133	3.0
121.02967	9.9
123.42108	2.5
145.02971	13.7
146.03334	4.1
175.49083	2.6
197.11896	3.6
209.11845	74.4
210.65091	3.2
227.12926	5.2
268.99203	2.8
291.19617	6.1
293.28748	2.7
309.20773	17.1
369.44263	3.0
471.34534	3.7
549.73987	2.9
635.38800	13.5
653.38739	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	653.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99475	0.9
54.10843	0.8
59.01408	4.6
61.98847	0.9
71.01396	4.3
73.02975	0.9
89.02473	4.8
101.02459	4.0
111.22929	0.9
181.07219	20.9
255.23410	2.4
434.43802	1.1
471.34863	100.0
472.35315	2.2
473.35577	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88900	0.3
59.01389	50.3
71.01390	9.0
72.99316	6.7
73.02975	0.6
73.60278	0.3
74.02484	2.1
75.00872	1.0
83.01368	0.5
85.02959	1.6
87.00894	0.7
89.02430	3.1
92.19077	0.4
93.03471	2.0
96.44524	0.4
96.96014	0.6
98.02460	0.6
101.02454	2.4
109.02946	0.4
111.04491	0.5
113.02458	0.5
115.00385	2.5
116.05071	0.9
119.05025	6.6
121.02965	41.0
122.03306	3.9
130.50569	0.4
131.03458	0.4
133.02997	0.4
135.03020	0.8
135.04538	0.9
137.02460	1.4
147.04547	100.0
148.04916	0.5
153.01939	0.4
158.19389	0.4
165.05592	92.1
185.68733	0.4
191.05652	3.8
203.08327	2.7
207.06665	37.1
208.07079	0.5
237.04184	2.8
239.05751	0.5
245.09344	4.5
328.02744	0.4
593.28809	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99678	1.3
59.01380	12.5
61.98847	9.4
62.47550	1.5
64.52568	1.3
71.01399	7.9
72.99344	2.1
73.02911	1.5
75.00874	11.3
75.60211	1.5
80.67564	1.6
81.19609	1.4
85.02988	2.6
88.98826	3.0
89.02467	3.3
93.03456	11.3
96.96040	3.0
108.02226	7.3
109.02979	10.1
116.92899	2.6
119.05048	3.2
121.02958	31.2
122.03754	3.5
125.02477	1.8
131.88091	1.5
133.03021	2.5
135.03000	24.1
135.04590	3.4
136.01674	40.3
137.01569	1.5
137.02455	13.8
139.04102	1.6
145.03026	1.7
150.06819	1.7
151.00395	24.3
151.04016	49.0
152.01195	9.2
153.01886	2.2
154.02715	1.5
161.02504	2.4
163.03918	1.9
166.02739	74.0
167.03401	2.6
167.71829	2.1
173.04572	2.1
175.79402	1.6
177.01987	3.4
177.09283	2.0
181.05087	65.5
191.05647	6.6
192.04390	1.7
196.30106	1.5
205.08681	2.4
209.11855	2.0
211.07637	2.3
272.71140	1.7
357.09763	11.5
372.12381	9.0
387.14557	100.0
389.33835	1.6
533.53497	1.8
653.32135	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	653.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11069	0.1
59.01394	0.7
64.34882	0.2
71.01385	18.4
79.87566	0.2
84.13852	0.2
89.02463	0.3
92.10160	0.3
93.03428	0.3
108.02159	1.2
109.02987	0.4
109.10762	0.2
113.02461	0.2
114.99549	0.3
115.00376	9.7
121.02961	100.0
122.03311	0.4
135.02916	0.2
135.04520	0.8
152.01180	1.6
153.01978	0.2
156.20375	0.2
160.01657	0.6
161.02457	0.3
175.04030	0.6
191.05656	0.8
237.04094	9.4
374.55862	0.2
415.12515	1.0
491.12213	0.7
653.17426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	0.3
59.01389	3.9
68.68417	0.3
71.01384	17.0
72.42211	0.3
73.02955	2.0
85.02964	0.8
89.02454	5.3
92.10787	0.6
93.03452	0.7
93.14244	0.3
101.02479	0.5
115.00385	6.4
119.05049	0.5
121.02959	100.0
122.03316	0.5
129.17928	0.3
131.03502	0.4
135.04538	15.5
137.02402	1.6
144.45911	0.4
144.71759	0.3
150.95058	0.3
154.00250	0.4
163.04027	2.0
175.16948	0.4
191.05630	0.7
237.04070	8.2
286.31314	0.4
333.13297	0.4
340.18253	0.3
415.12506	18.2
490.96353	0.4
532.06244	0.4
557.18695	0.4
656.32800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21994	1.1
56.06289	1.0
59.01391	13.3
61.81301	1.1
61.98844	8.4
71.01385	13.2
89.02458	13.4
92.10700	1.2
101.02441	5.7
113.02465	1.6
119.03471	1.6
129.18425	1.3
159.82701	1.3
161.02431	1.5
161.04558	1.2
177.94806	1.2
179.05646	5.7
197.68576	1.4
265.69196	1.3
277.81723	1.5
471.34863	100.0
472.35367	1.6
483.57428	1.7
527.12146	1.4
622.42792	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98603	2.2
54.83047	2.2
59.01386	10.2
61.98835	5.1
71.01374	16.3
89.02438	12.8
96.67792	1.9
101.02445	7.8
135.85045	1.9
157.55919	2.2
179.05597	4.0
268.65576	2.6
273.54462	2.1
471.28055	3.3
471.34793	100.0
472.35321	2.3
587.96790	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	652.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54509	0.3
58.02983	22.0
59.01400	0.6
69.20284	0.3
69.96444	0.3
70.02982	8.3
70.37547	0.3
71.01404	0.4
72.00914	5.6
83.80373	0.3
88.44657	0.4
91.05534	9.6
93.03481	2.7
95.98872	0.3
111.04591	0.3
121.02966	1.4
130.58311	0.4
135.04498	0.8
137.02451	0.3
147.04541	35.5
162.09273	1.4
164.07190	95.6
173.04578	6.4
174.04950	0.7
191.05617	3.0
206.08261	100.0
207.08592	0.7
250.07365	0.6
278.95129	0.4
296.08688	0.5
445.45438	0.4
498.70071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.3
59.01398	1.2
67.01911	0.4
71.01411	1.0
75.95164	0.1
81.03437	0.2
83.05036	0.3
85.02961	7.4
87.00887	2.1
87.44571	0.2
93.03456	5.8
94.03831	0.4
97.89468	0.2
99.04551	0.2
103.50921	0.2
105.03485	0.4
106.03825	0.2
109.02958	0.9
111.04568	0.9
121.02975	1.0
123.04476	0.2
126.15979	0.2
127.04041	2.1
133.02974	3.7
134.03326	0.8
135.03667	0.3
135.04536	2.0
136.04874	0.2
137.02446	3.9
144.78154	0.2
147.32765	0.2
150.03297	0.2
155.03485	0.2
160.84792	0.2
161.02443	1.8
171.02939	0.3
173.04565	2.1
177.01956	0.9
179.03545	0.4
191.05655	100.0
192.05994	1.9
200.69383	0.2
215.05666	1.1
216.06017	0.3
224.54422	0.2
225.36369	0.2
351.07504	1.5
352.07666	1.0
353.08878	9.2
627.62775	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80820	1.1
53.71991	1.1
56.96489	1.0
57.82730	1.1
58.17025	1.0
59.01400	6.7
60.17134	1.0
61.98861	1.2
71.01391	2.6
89.02457	4.7
101.02476	2.4
108.48871	1.2
133.02951	1.7
143.96396	1.2
179.05611	1.3
268.02063	1.2
471.34891	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	651.4124
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
50.33337	1.0
54.03945	1.1
55.71247	1.2
58.14461	1.1
59.01390	20.2
65.19576	1.2
71.01409	13.7
87.36348	1.4
88.71635	1.4
89.02460	18.5
101.02505	4.0
119.03472	2.0
121.02962	11.0
145.02948	2.6
179.05650	7.2
181.68729	1.6
192.16560	1.4
258.53061	1.4
356.43762	1.8
403.29773	1.5
423.33020	1.6
450.21225	1.7
469.33267	3.1
471.34851	100.0
472.35428	2.2
613.16412	1.7
651.24652	2.4
651.39703	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	651.392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82341	0.3
59.01390	2.9
61.98829	0.6
73.02972	0.3
80.77914	0.3
93.03460	0.4
99.92584	2.3
108.02138	0.4
116.92867	31.4
116.97240	0.6
117.01928	0.6
117.02772	0.4
117.03427	2.7
119.05025	12.3
121.02960	100.0
122.03313	0.5
128.01068	0.3
135.04572	1.4
137.02414	0.5
143.51364	0.4
144.83189	0.3
145.02972	14.8
161.02411	0.3
163.04016	7.2
181.05104	0.6
214.87206	0.3
469.33072	4.0
487.34460	3.9
529.35010	0.4
569.35040	1.3
633.38062	10.4
651.39166	27.9
652.39545	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32057	0.3
59.01389	2.3
61.98836	1.7
73.71272	0.3
91.03101	0.3
93.03437	0.3
108.02188	0.3
116.64526	0.3
117.03455	3.4
119.05026	12.7
121.02956	100.0
122.03262	0.5
133.02980	0.6
135.04515	3.2
137.02454	3.8
145.02974	14.3
161.02440	2.4
163.04024	7.5
173.84431	0.3
181.05057	3.0
216.29504	0.3
258.19946	0.3
342.06406	0.3
421.31168	1.6
469.33286	3.8
471.34720	0.6
487.34415	1.5
497.32742	1.1
529.35480	1.1
569.34851	0.4
633.38116	12.5
651.39172	27.0
652.39423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50973	0.2
53.49442	0.2
55.01888	0.3
57.03444	0.2
59.01110	0.4
59.01387	8.0
61.98837	0.3
69.03471	1.5
71.01392	8.3
72.61565	0.2
72.99294	0.4
73.02955	2.2
75.00880	0.2
81.03474	0.4
83.01399	1.3
85.02949	2.2
87.00869	1.3
89.02435	1.4
92.10863	0.3
93.03457	0.9
93.76686	0.2
95.01376	0.4
96.96014	1.1
97.02948	2.1
99.00900	0.9
100.51874	0.2
101.02446	4.0
108.02206	0.3
109.02984	0.3
111.04523	0.3
113.02462	1.9
119.03516	0.9
119.05008	1.1
121.02967	100.0
122.03298	0.2
125.02462	9.4
131.03531	0.8
135.04543	51.2
136.04840	0.3
137.02502	0.3
139.04037	0.7
143.03477	1.6
147.04591	0.3
148.05330	12.5
148.44832	0.2
152.01234	0.4
161.02460	0.2
161.04573	1.0
161.06110	0.3
163.04036	6.1
163.07686	2.1
167.03528	0.9
173.04602	0.5
189.05678	0.3
193.05141	1.0
209.11755	0.2
217.05092	0.2
223.06172	2.6
279.82755	0.2
283.08432	1.0
325.09332	2.4
367.10599	2.0
427.12640	3.8
450.57150	0.2
455.41837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09409	1.0
50.71213	1.2
52.90709	1.1
54.23970	1.0
54.82787	1.1
59.01395	5.1
61.98849	2.3
87.73471	1.2
116.92871	2.0
117.03479	21.1
119.05040	42.4
121.02966	45.1
135.04605	1.9
145.02974	100.0
151.47391	1.6
163.04021	7.2
204.85121	1.4
249.12517	1.3
250.04222	1.3
339.36774	1.6
347.32907	1.6
382.48849	1.5
469.33426	7.7
470.03616	1.5
487.34280	16.5
513.32178	22.0
569.34711	8.7
589.38824	1.5
605.39752	3.0
633.38116	63.3
634.37518	1.7
651.39099	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	651.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
55.75894	0.3
56.71784	0.3
57.03454	0.5
59.01387	8.2
61.98854	0.9
69.03470	2.1
71.01388	8.8
72.99324	1.0
73.02962	1.8
75.00875	1.0
77.37878	0.5
80.65977	0.4
81.03468	0.6
83.01389	1.8
85.02959	2.7
87.00893	1.8
88.98794	0.4
89.02454	1.6
93.03486	1.8
95.01416	0.5
96.96024	0.9
97.02965	2.6
101.02427	4.3
107.05087	0.6
108.02216	0.9
109.02979	0.9
113.02472	3.1
116.92882	1.7
117.03481	0.5
119.03531	1.0
119.05032	3.3
121.02958	100.0
123.20961	0.4
125.02454	8.2
131.03525	0.4
132.11288	0.5
134.03793	0.6
135.04535	52.0
137.02484	0.9
139.04008	0.5
139.46767	0.5
143.03513	0.5
145.03043	0.5
148.05324	24.5
152.01184	0.7
161.04547	1.6
163.04030	8.9
163.07678	6.9
173.04523	2.5
175.03984	0.6
191.05577	0.8
193.05022	0.9
223.06155	2.7
227.91989	0.5
284.03394	0.7
285.04074	0.8
325.09402	2.4
367.10458	2.8
427.12866	3.3
651.37756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63495	0.3
57.03462	0.9
59.01391	53.4
67.18139	0.5
71.01385	9.3
72.99310	5.9
73.02944	0.7
74.02477	0.8
75.00881	2.1
83.05027	0.6
85.02960	5.1
87.00897	2.2
89.02467	2.3
93.03451	6.1
96.96004	5.6
101.02457	2.9
109.02966	1.0
111.00871	0.5
113.02477	1.7
113.09898	0.4
115.00388	2.4
119.05016	9.9
119.83979	0.5
121.02958	22.8
122.03272	0.6
122.06070	0.5
124.01627	0.5
124.59950	0.5
125.02483	0.6
129.01947	0.7
132.15265	0.5
135.03004	2.0
135.04556	3.0
137.09703	0.6
147.04538	100.0
148.04887	0.8
149.06067	0.8
153.01865	0.8
161.02455	2.4
162.02841	0.6
163.04056	1.9
165.05582	83.7
173.04585	3.4
175.79759	0.4
177.04068	0.5
179.03345	0.6
189.24371	0.5
191.05643	15.9
192.05936	1.1
207.06673	35.5
237.04073	2.1
245.09311	0.6
247.23219	0.5
300.03030	0.7
355.02515	0.5
478.47937	0.5
591.26440	0.6
633.45471	0.6
651.18500	2.2
651.29242	0.7
653.31219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07960	0.4
57.06060	0.4
59.01389	0.8
63.02406	3.5
63.68415	0.6
65.00321	5.1
71.01379	0.8
83.01375	4.0
91.01894	0.6
93.03441	2.8
107.01395	14.9
108.02187	2.3
109.02951	9.1
111.00890	0.6
117.03461	0.8
119.01405	1.1
119.05052	5.6
121.02953	11.3
123.00829	0.7
125.02480	0.7
126.55976	0.5
126.56915	0.7
135.00896	2.8
135.02959	0.9
139.04068	0.8
145.02953	3.5
148.01637	2.3
149.02428	2.2
151.00380	45.6
159.04497	2.5
163.00385	11.3
163.04065	4.3
164.01149	0.8
167.04988	0.7
169.01437	2.3
171.04514	0.6
175.03984	0.8
178.98409	1.1
178.99867	21.7
183.04509	2.5
185.06038	0.9
187.04022	2.7
190.99863	1.1
199.04060	1.3
201.05588	3.4
202.79059	0.6
203.03575	1.2
211.04120	5.5
211.07558	0.6
212.04739	0.7
214.02728	0.9
215.03639	0.9
216.04337	0.8
223.07581	0.7
226.02678	0.9
227.03540	8.3
229.05061	3.2
239.03441	1.1
243.02997	12.8
245.04582	7.4
254.02159	3.7
255.03006	36.8
256.03406	1.1
266.02148	0.8
271.02512	53.0
272.03076	2.5
273.04120	5.2
283.02472	5.7
284.03244	1.2
285.04092	2.4
300.02792	67.1
301.03577	100.0
302.03885	2.2
503.24649	0.6
504.66632	0.7
609.14484	2.5
651.15759	63.5
652.16345	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98404	0.4
59.01392	1.8
59.76740	0.4
63.02407	4.7
65.00336	4.7
66.73497	0.4
71.01390	0.7
71.36048	0.5
83.01379	4.4
89.02464	1.0
91.01902	1.0
92.10127	1.4
93.03475	2.9
107.01408	13.8
108.02221	2.0
109.02961	9.7
117.03460	0.6
119.01391	0.9
119.05042	6.0
121.02956	15.0
135.00920	2.5
135.03052	0.6
135.04510	0.7
137.02412	0.7
139.04036	0.8
145.03004	3.3
148.01694	0.9
149.02483	2.9
151.00385	51.6
157.06638	0.5
159.04530	2.8
161.02461	0.7
161.06068	0.5
163.00383	11.5
163.01669	0.7
163.04028	5.1
164.01192	2.0
169.01440	2.8
171.04468	0.7
173.06161	0.8
174.03235	0.7
178.99879	22.3
183.04532	2.2
185.06146	1.0
187.04031	2.7
195.04475	0.5
199.04044	1.2
201.05605	2.4
202.90852	0.5
203.03540	1.2
211.04054	4.7
211.07652	0.9
212.04858	0.6
213.01933	0.9
215.03601	0.6
216.04384	0.7
223.07800	0.6
225.50598	0.6
226.02753	2.1
227.03535	6.6
228.04359	0.6
229.05063	5.3
239.03583	0.8
240.01588	0.5
243.03044	12.3
245.04622	8.0
254.02220	2.6
255.03033	37.8
256.03699	0.9
257.04678	0.7
266.02390	0.9
271.02527	54.6
272.03159	1.9
273.04074	4.2
283.02524	6.3
284.03302	2.0
285.04077	2.7
299.02164	1.1
300.02814	76.5
301.03592	100.0
302.04056	2.0
327.08841	0.6
427.10977	0.6
591.13879	0.9
592.68140	0.6
609.15051	4.2
651.15869	79.8
652.16370	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	650.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50727	0.1
59.01420	0.2
61.98846	100.0
62.81438	0.2
65.11433	0.1
71.90580	0.2
87.83961	0.2
100.03811	0.2
117.03465	1.0
119.05035	0.3
145.02972	3.6
146.03300	0.8
183.87383	0.2
184.97751	0.2
303.11444	0.2
350.76563	0.2
567.27795	0.2
588.40204	0.9
589.40350	1.0
590.40497	1.8
590.71021	0.2
650.38062	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	650.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97270	0.4
56.00777	0.4
61.85680	0.5
61.98837	100.0
78.53467	0.5
78.83965	0.5
83.07455	0.6
117.03514	2.4
135.04512	0.7
145.02986	7.0
146.03311	1.1
161.02431	1.3
172.15794	0.5
260.09454	0.6
305.20831	0.6
322.24106	0.5
359.26770	0.6
439.31339	0.6
588.39856	2.1
589.40088	1.2
590.40692	1.3
650.38287	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	650.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21188	0.5
59.01403	3.8
60.99318	18.4
61.98854	1.3
62.07429	0.5
63.99205	0.5
71.01397	1.1
83.05052	0.6
85.02991	1.1
87.00922	0.9
88.98813	100.0
89.02457	1.3
92.10071	1.2
93.03455	1.1
93.15359	0.6
96.96007	6.0
97.01880	0.6
101.02473	1.1
108.02193	2.9
109.03002	1.5
116.92856	0.8
120.98338	0.6
121.02969	3.1
141.68726	0.6
152.01180	1.3
173.04568	2.2
180.69667	0.6
191.05566	1.2
288.43915	0.7
471.72849	0.7
650.29590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22332	0.2
57.03469	0.1
57.92447	0.1
59.01385	1.1
65.62367	0.1
71.01385	15.7
73.02930	0.2
74.02489	0.2
75.00880	0.2
77.03984	0.2
85.02934	0.3
87.00906	0.2
89.02454	0.2
93.03477	0.4
96.96014	0.2
101.02499	0.2
108.02196	0.2
109.03014	0.2
115.00373	9.1
119.05019	0.3
121.02961	100.0
122.03282	0.8
133.02963	0.7
135.02950	0.3
135.04532	0.4
147.04526	1.1
152.01163	0.3
161.02487	2.0
165.05553	0.9
191.05597	1.8
207.06705	0.2
237.04085	12.4
245.09328	0.6
272.70728	0.2
472.66541	0.2
587.16626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92196	0.5
52.39050	0.5
54.10434	0.5
54.22902	0.5
58.76688	0.5
59.01391	1.5
61.98857	1.3
77.08831	0.5
114.13334	0.6
117.03474	20.7
119.05029	55.0
121.02957	1.3
133.02943	6.7
134.03755	1.2
134.89462	0.9
135.04532	11.3
145.02971	66.6
146.03320	0.8
147.04521	1.0
161.02449	18.7
163.04019	47.9
171.44234	0.6
174.80679	0.6
176.77466	0.6
179.03464	5.6
316.79199	0.7
425.30838	6.4
485.32657	3.5
499.94589	0.8
649.37604	100.0
650.38007	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	649.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01355	0.6
57.30043	0.6
59.01398	3.4
60.47176	0.6
61.69812	0.8
61.98836	9.6
72.60055	0.7
73.32631	0.7
83.37383	0.6
85.02951	0.6
92.65117	0.7
111.57447	0.7
113.18347	0.7
117.03478	27.4
119.05023	22.3
121.02964	1.7
145.02974	100.0
160.84332	1.5
162.83981	0.8
163.04015	1.2
276.05099	0.8
455.31790	1.2
469.45538	0.8
487.34384	6.3
529.31921	4.2
646.64130	0.8
649.37646	49.3
650.38336	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	649.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38858	0.1
59.01383	0.8
62.63911	0.1
65.03971	0.9
71.01382	0.2
72.35830	0.1
73.02962	0.2
79.77487	0.1
93.03458	80.5
101.02468	0.3
112.57069	0.1
121.02959	7.6
122.79520	0.1
125.55173	0.1
135.04532	1.7
137.02454	100.0
138.02777	0.7
163.04031	0.2
173.04622	0.3
223.06131	0.2
397.45477	0.1
527.18121	0.8
649.21429	2.5
649.31641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66062	0.6
55.44941	0.6
59.01390	1.1
61.98825	1.2
71.20226	0.6
72.99300	0.8
73.56794	0.7
84.10487	0.7
117.03471	23.8
119.05029	59.5
121.02909	2.3
123.04533	0.8
133.02983	1.0
135.04526	2.8
145.02968	77.5
161.02420	4.5
162.03282	0.8
163.04022	52.5
215.20973	0.8
239.61037	0.8
425.30383	7.3
469.33273	1.4
485.32794	3.0
649.37628	100.0
650.37836	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	649.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82445	0.4
55.01888	0.9
55.91528	0.4
57.03454	0.8
59.01382	6.5
59.01620	0.4
60.99308	0.6
65.00343	0.4
66.75222	0.4
67.01899	2.5
69.03462	1.8
69.04048	0.4
71.01385	10.8
72.01720	0.4
72.99310	0.6
73.02961	2.4
74.14606	0.4
79.92146	0.4
81.03461	0.5
83.01409	2.0
85.02953	10.1
87.00896	2.4
88.18941	0.4
89.02460	0.6
92.10811	1.0
93.03457	22.0
94.25234	0.5
96.96021	1.9
97.02930	0.7
99.00894	2.1
101.02449	6.7
106.04218	0.7
107.05051	2.6
109.02972	1.9
111.04527	3.1
113.02444	3.0
115.00356	0.8
117.03458	0.9
119.05053	3.4
121.02959	8.8
122.03352	0.7
125.02462	0.5
127.03979	0.6
133.02962	8.7
134.03764	8.4
134.37434	0.4
135.04536	100.0
136.04865	0.5
137.02429	2.4
139.04045	1.0
149.42345	0.5
153.01897	0.5
161.02463	22.8
161.04582	2.5
163.04021	0.9
173.04567	7.3
179.03519	46.8
183.02986	2.2
184.03328	0.6
191.05635	83.0
243.03094	0.5
269.10291	0.8
271.02573	0.9
300.02789	0.9
307.08188	0.6
313.09335	6.2
324.89706	0.6
327.08722	0.8
353.08817	5.0
364.16312	0.4
411.11533	0.5
463.09006	2.1
487.14645	10.1
605.18933	6.2
649.17938	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	0.2
59.01410	0.6
67.01907	0.4
71.01386	0.6
81.95979	0.3
83.05032	0.5
85.02956	7.1
87.00878	1.9
93.03452	4.2
107.65453	0.3
107.66284	0.3
109.02985	0.5
111.04530	2.6
121.02959	95.2
122.03280	0.5
126.24273	0.3
126.92123	0.3
127.04021	1.7
133.02921	1.9
135.04547	2.3
137.02448	0.4
155.03516	1.9
161.02486	2.4
171.03024	0.4
173.04565	4.3
179.03494	1.4
191.05640	100.0
192.06021	0.6
197.91132	0.3
208.00102	0.3
246.52409	0.3
295.08276	15.0
353.08838	12.1
354.09351	0.4
368.28351	0.3
392.85638	0.3
558.92853	0.3
613.22485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11837	0.4
57.03453	1.0
59.01385	5.8
63.44457	0.5
65.89603	0.5
67.01908	1.0
71.01378	4.8
75.00890	3.4
81.03455	0.5
83.05043	0.5
85.02956	11.6
87.00874	5.4
89.01599	0.5
89.02477	0.6
93.03459	63.8
96.96026	2.0
101.02437	0.8
104.66317	0.5
105.03490	3.5
109.02975	2.4
111.04532	4.0
119.05029	12.8
121.02981	3.0
123.04530	1.2
127.03998	2.8
129.01984	0.5
133.02971	18.9
134.03760	0.9
135.03015	4.7
135.04570	2.0
137.02455	100.0
138.02748	0.5
143.05054	2.1
145.02982	1.0
147.03059	0.6
149.06049	0.5
152.01175	0.5
155.03629	1.0
161.02449	1.0
161.08235	1.1
162.08946	0.5
163.04042	10.7
165.04066	2.6
173.04576	15.1
177.01950	5.2
179.03532	0.6
180.68761	0.4
191.05649	96.8
191.49490	0.6
192.06013	1.0
193.05092	0.7
211.07767	2.1
215.05699	0.7
237.09276	0.7
265.08765	2.4
295.04749	0.8
297.06235	0.5
299.08087	0.5
309.07990	0.7
311.07867	8.0
311.76254	0.5
327.08853	10.7
337.09360	4.5
351.07388	5.0
353.08838	3.4
367.81458	0.5
495.04599	0.5
501.14484	2.0
513.14929	0.5
649.17780	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	649.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	10.2
57.03476	5.3
59.01392	39.7
59.20937	1.1
59.85381	1.0
63.95130	1.1
64.52670	1.2
69.03482	1.2
71.01389	69.9
72.99331	2.5
73.02955	25.9
75.00859	1.8
83.01393	18.1
83.84417	1.0
85.02960	46.9
87.00891	4.7
89.02457	6.2
95.01418	2.9
97.02930	2.1
99.00883	10.9
101.02447	58.5
101.03104	2.4
111.00906	1.5
112.01672	2.1
113.02456	30.8
117.03506	2.6
119.03516	1.8
119.05047	6.2
121.02959	1.4
125.02419	1.6
129.01997	2.0
130.12903	1.2
135.04411	1.4
145.02974	24.0
148.53925	1.3
151.03996	10.8
155.07062	1.5
159.02989	5.7
161.04561	22.8
163.04041	2.1
173.08205	8.3
176.88091	1.2
183.02715	2.2
186.41209	1.2
191.02008	1.8
191.05620	8.3
225.13602	1.2
233.03185	1.1
249.91437	1.2
269.10385	17.6
281.16199	1.3
296.16745	1.4
313.09338	100.0
335.07599	16.1
335.13419	22.7
440.65390	1.6
487.14832	6.0
590.96478	1.3
649.17535	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27681	0.2
52.82769	0.2
59.01385	0.5
71.01398	1.4
71.34780	0.3
76.37144	0.3
76.37634	0.2
83.05042	0.3
85.02954	5.8
87.00879	1.8
93.03454	4.1
95.57868	0.3
95.99775	0.3
108.77630	0.2
111.04528	3.6
121.02957	92.4
122.03306	0.5
127.04029	2.2
129.01990	0.3
133.02957	1.6
135.04544	1.2
155.03555	2.0
161.01251	0.3
161.02493	1.4
171.03026	0.4
171.69374	0.2
173.04559	3.3
179.03581	1.0
191.05635	100.0
192.06001	4.0
193.06099	2.0
215.05534	0.3
293.12326	0.4
295.08273	15.8
295.20972	0.3
353.08841	10.5
353.54102	0.3
354.09430	0.4
360.66898	0.3
380.79843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.4
64.34655	0.1
67.01905	0.2
69.03466	0.3
71.01385	0.9
71.88203	0.1
77.19951	0.1
83.05040	0.2
85.02956	6.9
87.00867	1.3
89.02469	0.1
93.03465	2.4
99.04510	0.3
101.02490	0.2
109.02942	0.6
111.04524	1.5
123.27728	0.1
127.04016	2.4
131.07133	0.6
133.02963	0.8
135.04529	1.5
143.64664	0.1
155.03513	0.2
161.02461	2.4
171.03014	0.3
173.04547	2.2
179.03511	1.0
186.22704	0.1
191.05641	100.0
192.05956	0.6
293.12469	0.9
315.26010	0.1
351.07431	0.2
353.08847	10.2
423.00793	0.1
631.84924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60044	0.2
59.01098	0.3
59.01385	7.0
61.98823	0.3
71.01373	2.2
73.02960	1.4
75.00888	0.3
77.08221	0.2
83.01392	0.4
85.02967	0.9
87.00886	1.4
89.02457	1.4
93.03470	1.3
93.35252	0.2
96.96032	2.6
99.00900	0.3
101.02441	1.6
109.02982	0.3
111.00880	0.3
113.02456	1.2
117.03471	30.4
119.03571	0.2
119.05027	6.2
121.02959	0.9
124.38625	0.2
125.02451	0.9
129.01990	0.4
131.49812	0.2
134.03769	0.2
135.04536	0.4
137.02458	0.3
145.02969	100.0
146.03287	0.9
149.04509	0.2
161.02400	0.3
161.04594	0.3
163.04019	4.7
165.02025	0.3
168.45905	0.2
173.04588	0.5
177.01852	0.2
177.04060	0.2
182.02261	0.5
191.05598	1.7
197.04483	0.3
252.83131	0.2
257.40723	0.2
307.08344	1.4
323.09869	0.4
327.09180	0.3
341.10980	0.9
383.11917	0.5
397.90594	0.2
425.13699	0.3
539.26141	0.2
553.15900	0.4
571.16919	2.3
613.17847	17.4
614.18420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61439	1.9
59.01384	3.4
82.74297	1.9
119.51151	2.1
218.06512	2.5
272.72995	2.0
316.18954	2.7
409.40390	2.2
434.75797	2.3
457.41150	2.4
487.34369	38.3
614.29126	2.4
645.33307	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	645.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48513	0.2
54.82945	0.3
59.01388	100.0
60.15927	0.2
74.89349	0.3
75.36021	0.2
78.95946	0.3
82.60882	0.2
95.08151	0.2
101.02426	0.3
107.67467	0.2
116.92861	0.6
131.03444	0.5
151.30420	0.3
160.84219	0.9
179.72670	0.3
203.34917	0.3
240.23250	0.3
282.61346	0.3
283.18588	0.2
309.13477	0.3
325.52499	0.3
585.38373	0.6
645.40582	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	645.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25113	0.8
51.81947	0.9
57.38156	0.9
59.01390	100.0
67.43713	1.1
68.38752	1.1
74.88641	0.9
75.17770	1.2
78.16132	1.0
86.61091	1.3
89.38233	1.2
93.54091	1.0
96.83749	1.1
156.99115	2.3
171.30733	1.3
173.04526	1.3
211.28229	1.3
213.60774	1.2
399.24127	1.3
471.35016	5.3
471.88107	1.5
587.39978	1.4
645.34735	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	645.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52234	1.0
52.03563	1.2
54.99922	1.1
58.45037	1.2
59.01407	1.8
61.70633	1.2
81.25650	1.3
93.17694	1.6
97.61483	1.3
100.59083	1.4
116.92865	2.5
128.87160	1.4
130.24786	1.4
153.85724	1.3
200.32053	1.3
251.73393	1.4
485.38025	1.5
487.34396	23.8
574.54688	1.5
610.65118	1.7
645.33325	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	645.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.4
99.00835	1.7
125.10216	1.5
142.13875	1.6
162.14055	1.6
177.95013	1.6
206.58890	1.7
243.84909	1.5
353.33188	1.6
487.34448	43.8
488.34671	3.2
645.33386	100.0
645.44128	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	645.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	11.3
57.03463	7.6
57.49419	1.0
59.01394	42.4
59.09147	1.2
69.70705	1.0
71.01388	74.5
72.99341	1.3
73.02956	27.3
83.01394	17.8
83.61018	1.4
85.02957	50.0
85.03461	1.8
87.00900	1.7
89.02458	6.1
92.10051	2.2
93.03465	1.8
95.01408	6.4
96.96019	5.2
99.00913	9.3
101.02442	63.9
101.03098	2.2
107.05126	1.2
111.04594	1.4
113.02450	29.4
125.02461	7.7
131.03618	1.2
133.03009	1.4
135.04526	1.4
143.03477	2.2
153.02002	7.2
159.02966	2.6
161.04581	26.1
168.04306	1.5
169.01457	6.5
173.04633	2.7
191.05632	47.8
241.26248	1.4
269.10394	19.1
313.09348	100.0
331.06961	2.4
353.08862	4.9
587.19403	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	42.7
61.98848	0.7
62.48547	0.6
71.01406	2.8
72.78893	0.7
72.99314	5.2
77.31878	0.8
79.26154	0.6
80.37270	0.6
82.72651	0.7
85.02989	1.6
87.00904	0.9
89.98898	0.7
93.03480	2.9
96.96027	0.9
101.02436	1.0
107.01434	3.7
108.02191	1.5
109.02976	3.0
119.05027	6.5
121.02966	15.9
121.03767	1.2
135.00883	0.9
135.04553	1.1
137.02489	1.1
147.04549	92.6
148.01671	1.0
148.04878	1.3
149.02440	0.7
151.00391	11.4
153.62039	0.6
161.02531	0.8
163.00404	1.5
163.04013	1.3
164.04836	1.0
165.05583	78.6
173.04573	1.2
175.04045	0.9
178.99907	5.0
179.07236	0.7
191.05611	6.1
203.08257	1.1
207.06670	36.6
211.04039	1.2
215.03558	1.0
226.02928	0.8
227.03574	1.2
229.05106	1.1
243.02988	11.3
245.04568	1.0
245.09366	1.4
254.02286	2.9
255.03020	27.0
271.02551	56.9
272.03159	1.1
273.03873	0.8
283.02246	1.0
285.03717	1.1
297.39618	0.8
299.02054	1.0
300.02823	100.0
301.03577	33.2
301.06140	0.7
302.04120	1.2
609.14795	73.5
610.15399	6.1
633.96539	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28453	3.6
59.01393	8.6
61.57360	3.9
61.98842	6.3
76.57344	4.9
78.95918	4.9
79.78070	4.2
81.27518	4.6
90.41868	4.2
92.10057	15.9
94.19939	5.1
94.67531	5.0
97.97747	4.7
100.90195	4.4
113.38133	5.1
114.79215	4.3
116.92838	6.9
171.38182	5.1
174.74805	5.7
181.99913	5.0
203.29315	4.9
275.31909	6.2
455.31836	45.6
613.30560	49.7
643.31714	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	643.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03251	1.5
59.01384	11.9
61.98841	12.1
62.06581	1.4
65.31014	1.6
67.43703	1.7
67.96300	1.3
70.29653	1.5
71.01386	2.3
81.06367	1.6
83.05019	3.6
83.37874	1.4
87.00922	1.7
87.32961	1.4
93.69812	1.6
96.96000	8.0
101.02449	3.0
111.24139	1.8
121.02969	8.5
135.04494	1.6
135.08194	1.9
153.12845	1.7
163.11285	2.7
165.12814	2.3
169.12326	7.5
172.18694	1.8
173.04538	2.3
191.05559	2.5
197.11864	100.0
198.20500	1.8
209.11877	71.6
227.12918	4.1
253.09352	4.1
433.20560	2.3
507.10767	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	644.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89508	0.4
57.14223	0.4
59.01401	0.5
61.98835	100.0
96.96025	2.1
121.02953	5.6
122.03279	2.2
195.32100	0.4
206.72322	0.4
251.00623	0.5
254.54166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32016	5.4
53.50969	5.0
54.87557	6.2
59.01384	25.4
61.98829	12.7
78.50883	5.6
92.10152	8.2
96.96040	8.6
100.90536	6.6
117.15621	6.8
121.02969	100.0
132.02229	6.8
133.02971	45.6
134.03757	14.6
135.04524	51.6
137.02451	8.5
141.41547	6.5
150.03201	6.5
161.02470	75.4
179.03470	13.7
189.01772	12.2
191.05656	8.3
201.01668	7.2
217.01370	8.5
583.12164	69.5
584.12415	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63094	6.1
59.01398	32.1
61.98846	52.7
63.50089	6.4
70.97988	6.2
96.96021	100.0
98.95683	10.2
121.02943	83.0
122.03304	29.5
137.02393	9.6
149.26456	8.8
159.15619	8.7
173.04510	8.3
177.31317	7.6
191.05586	8.9
211.11331	8.1
323.96167	9.2
643.31561	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	643.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.0
58.02989	4.4
59.01388	39.4
60.38713	1.0
61.98847	7.2
70.02990	1.3
71.01387	19.5
71.01733	1.4
72.99326	1.5
73.02975	1.1
74.02476	12.3
78.60913	1.1
82.95429	2.4
83.01411	1.5
84.04552	4.9
85.02979	5.4
86.02512	1.4
88.98821	1.4
89.02449	13.6
89.06983	1.2
93.03445	4.2
93.61658	1.0
96.75293	1.0
96.96001	4.7
98.02498	2.0
99.00871	1.8
101.02441	13.2
109.02915	1.9
113.02447	8.1
116.03512	2.4
116.05073	28.3
119.03533	2.6
121.02943	17.3
125.02449	2.0
135.04538	4.7
135.08165	4.6
137.02455	5.5
142.06628	2.7
145.02963	1.5
149.06149	1.2
149.25175	1.3
157.07706	1.6
159.09242	1.2
163.04031	4.8
165.01985	1.3
168.00758	1.8
173.04529	6.3
175.03917	1.2
191.05629	4.9
197.11734	1.6
201.10321	7.9
203.08286	29.1
227.78204	1.4
245.09308	11.8
327.21747	2.3
362.42227	1.2
419.23547	6.5
463.30850	1.4
557.28522	1.7
599.29871	100.0
600.30096	4.7
643.38098	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	643.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.0
58.02989	4.4
59.01388	39.4
60.38713	1.0
61.98847	7.2
70.02990	1.3
71.01387	19.5
71.01733	1.4
72.99326	1.5
73.02975	1.1
74.02476	12.3
78.60913	1.1
82.95429	2.4
83.01411	1.5
84.04552	4.9
85.02979	5.4
86.02512	1.4
88.98821	1.4
89.02449	13.6
89.06983	1.2
93.03445	4.2
93.61658	1.0
96.75293	1.0
96.96001	4.7
98.02498	2.0
99.00871	1.8
101.02441	13.2
109.02915	1.9
113.02447	8.1
116.03512	2.4
116.05073	28.3
119.03533	2.6
121.02943	17.3
125.02449	2.0
135.04538	4.7
135.08165	4.6
137.02455	5.5
142.06628	2.7
145.02963	1.5
149.06149	1.2
149.25175	1.3
157.07706	1.6
159.09242	1.2
163.04031	4.8
165.01985	1.3
168.00758	1.8
173.04529	6.3
175.03917	1.2
191.05629	4.9
197.11734	1.6
201.10321	7.9
203.08286	29.1
227.78204	1.4
245.09308	11.8
327.21747	2.3
362.42227	1.2
419.23547	6.5
463.30850	1.4
557.28522	1.7
599.29871	100.0
600.30096	4.7
643.38098	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	643.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
56.30750	0.3
57.03459	0.7
59.01388	15.6
61.98838	0.6
67.57843	0.3
68.99813	0.3
69.03466	0.6
71.01382	11.4
72.99316	0.4
73.02943	2.4
75.00867	0.7
75.05148	0.3
81.03451	2.2
83.01402	1.9
85.02955	7.4
87.00867	0.4
89.02445	5.8
93.03463	1.4
95.01402	4.1
96.95995	0.7
99.00889	1.4
101.02442	7.8
108.02186	88.4
109.02963	75.7
110.03268	0.4
113.02442	4.8
115.38536	0.4
119.03489	1.6
121.02963	9.4
121.10276	0.6
123.00899	2.8
123.04523	1.8
126.37643	0.3
129.02020	0.3
133.03008	0.5
134.03760	0.5
135.00845	0.4
135.04510	2.2
137.02516	0.6
151.03992	2.0
152.01170	100.0
153.01955	42.1
153.03253	0.4
161.04570	2.0
163.04013	1.6
165.01976	1.2
165.09206	0.4
167.10800	1.1
170.83104	0.4
177.01886	0.3
181.05075	0.6
191.05652	1.9
195.02951	0.5
205.62979	0.3
225.04124	0.4
241.99722	0.3
266.33878	0.3
297.06152	0.3
315.07294	2.9
345.15585	0.6
408.86893	0.3
463.15854	0.5
465.17755	6.3
643.22589	97.7
644.23004	4.3
655.21198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45607	0.3
59.01387	1.4
61.98827	0.4
67.01895	0.6
68.94527	0.3
71.01378	0.4
73.07803	0.3
92.10795	0.3
93.03475	0.6
107.05010	0.5
109.02959	4.5
111.42380	0.3
119.01373	0.5
119.05063	0.4
121.02972	3.5
123.00881	1.6
123.04534	0.5
124.01647	0.6
133.02953	0.4
135.04558	0.7
136.01678	1.6
137.02448	27.1
137.81778	0.3
138.03178	0.3
139.03969	0.4
147.00966	0.4
148.01753	0.4
149.02507	0.8
150.03255	2.3
151.00395	5.1
151.04042	3.6
152.01131	0.7
152.04819	1.3
159.04517	0.7
161.02490	0.5
162.03246	0.4
163.03992	0.5
164.01210	2.4
164.04832	0.3
165.01942	100.0
165.05566	3.8
165.79124	0.3
166.02722	16.6
167.03540	3.0
175.04008	2.1
177.01930	1.7
177.04128	0.5
177.05582	1.4
178.02666	0.7
179.03511	24.5
179.06984	0.6
180.04295	55.6
181.05081	15.0
181.06715	0.4
184.03818	0.4
187.04036	1.9
190.02805	0.4
190.06425	0.5
191.03500	0.4
191.05693	0.3
192.04221	1.2
193.05101	1.2
194.05852	3.1
195.03036	2.7
195.06647	51.2
199.92061	0.3
202.06421	0.5
203.03584	0.5
205.05092	4.7
207.06686	1.4
210.03372	0.5
210.05360	9.8
219.06564	0.7
220.07361	2.7
221.08313	0.5
225.07721	27.1
237.34106	0.4
330.07260	0.3
345.09787	0.5
359.11469	1.8
371.11478	0.4
387.10794	2.4
387.15234	4.3
402.13358	1.6
403.14008	1.3
416.14972	1.3
417.15622	19.9
437.56686	0.4
518.23254	0.3
526.12329	0.4
565.19946	1.8
580.19861	0.7
595.21960	28.1
596.22314	0.5
643.23804	0.7
643.37958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	10.5
57.03460	8.8
58.77795	1.4
59.01385	49.3
69.03466	2.1
71.01382	69.9
72.99300	2.8
73.02951	20.8
78.21541	1.9
83.01380	14.1
85.02957	44.4
86.00100	2.2
87.00892	16.0
89.02467	3.7
93.03460	11.7
95.01381	3.3
96.96012	14.0
99.00892	14.4
101.02452	57.0
107.05032	2.7
109.02980	1.9
111.00938	2.2
113.02450	23.4
123.04533	7.1
133.02953	10.4
135.04533	2.1
155.07211	3.9
159.02988	4.4
161.04584	20.9
167.07092	2.2
173.04500	3.7
191.05609	34.3
192.05972	1.7
263.76233	2.1
269.10358	20.1
279.10852	2.0
289.05777	3.7
313.09415	100.0
351.07281	8.9
370.32822	1.8
492.15350	2.1
498.10831	2.1
595.22089	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	641.5733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02461	0.3
52.72737	0.3
55.15824	0.3
57.44454	0.3
59.22392	0.3
62.70476	0.3
72.09296	0.3
85.43385	0.3
92.65167	0.4
109.72408	0.4
191.09186	0.4
259.37643	0.4
273.10254	0.4
283.26471	100.0
284.26749	0.6
304.76892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36810	0.5
55.18499	0.5
57.03471	1.1
59.01379	7.4
67.01894	5.2
69.03475	0.9
71.01382	7.8
73.02945	1.5
81.03511	0.8
83.01432	0.7
83.05030	1.3
85.02955	13.2
87.00899	2.7
89.02454	1.3
93.03452	30.9
93.04014	1.1
95.01511	0.6
96.96043	4.1
101.02438	1.2
103.49546	0.6
109.02973	3.5
111.00880	1.0
111.04527	8.3
113.02441	0.8
119.03492	0.6
119.05032	1.1
121.02955	27.8
125.97050	0.6
127.04026	4.2
129.01952	0.8
133.02956	4.0
134.03761	3.3
135.04533	86.4
137.02470	7.3
137.31126	0.6
138.27119	0.7
155.03522	7.1
161.02444	5.8
163.04031	0.8
171.06721	1.0
173.04556	100.0
179.03516	65.2
180.03943	0.7
191.05637	96.5
192.05905	0.7
218.08266	0.7
269.06738	3.3
353.08832	68.4
539.38055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24132	0.1
52.94142	0.1
55.01901	0.2
57.03463	0.2
59.01393	4.7
61.98841	0.5
71.01387	2.2
72.99335	0.2
73.02959	0.5
78.34742	0.1
82.95424	0.2
85.02972	0.5
87.00886	0.4
89.02462	1.6
93.03477	0.3
96.96011	2.2
96.96954	0.2
99.00894	0.1
101.02439	1.4
104.59333	0.1
105.61044	0.1
113.02483	0.9
115.51467	0.1
119.03520	0.7
119.04999	0.1
121.02958	100.0
122.03294	0.2
125.02441	0.2
128.99007	0.1
133.02901	0.1
135.04533	4.8
149.06131	0.1
150.06891	1.5
161.04588	0.5
163.04012	0.8
163.07710	0.9
179.10788	0.2
185.57834	0.1
203.05702	0.2
211.06102	0.2
325.09250	0.2
459.22479	0.4
464.34915	0.2
478.12744	0.2
478.36618	0.2
479.37616	1.9
581.26416	1.2
621.11395	0.1
641.18964	0.6
661.35840	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	641.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37007	0.1
59.01015	0.1
59.01390	0.8
60.99326	0.2
63.73328	0.1
67.01907	0.2
71.01379	1.1
75.00886	0.1
81.03480	0.2
85.02955	6.4
87.00878	1.4
93.03458	2.0
99.04555	0.2
101.02463	0.1
104.02993	0.1
109.02936	0.6
111.04514	1.2
121.02929	0.2
127.03998	1.9
133.02953	1.0
135.04514	1.0
143.03549	0.2
150.36116	0.1
161.02463	3.2
163.04103	0.1
171.03026	0.2
173.04584	1.2
179.03474	0.2
191.05637	100.0
192.06001	0.3
212.61681	0.1
215.04716	0.2
221.18530	0.1
244.00328	0.2
287.06711	0.8
353.08829	13.9
428.55005	0.2
514.26758	0.2
557.51514	0.2
614.38861	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29361	1.4
51.36967	1.2
55.01903	3.2
57.03473	6.4
58.00617	1.4
58.44478	1.3
59.01387	100.0
61.72133	1.3
61.84900	1.1
61.88592	1.2
61.98842	2.5
69.03461	3.7
71.01386	74.1
72.99299	1.9
73.02950	10.3
75.00890	5.5
78.95927	1.4
79.30709	1.2
79.95739	27.1
80.02714	2.1
80.96516	5.8
81.03468	2.1
83.01402	8.7
85.02959	22.5
87.00898	8.4
89.02449	62.6
93.03464	19.4
94.98059	1.5
95.01411	8.0
96.95503	1.6
96.96017	45.5
97.02972	8.6
99.00880	6.4
101.02452	46.7
107.05051	18.9
108.02189	59.8
109.02973	6.6
111.00877	13.8
113.02473	24.9
119.03513	36.1
119.05074	1.7
121.02967	82.3
121.03847	2.7
121.93281	1.4
123.04539	58.1
124.42858	1.4
125.02458	30.4
129.01953	3.7
131.03542	3.7
135.00893	17.4
135.04619	1.4
137.02466	5.5
141.01854	1.9
142.75978	1.4
143.03542	8.6
145.02937	2.9
149.02504	2.0
151.04037	16.3
152.01160	7.4
153.01964	3.6
159.02992	2.3
159.04256	1.7
161.04582	10.3
167.03548	2.5
173.04488	1.5
177.04041	2.2
179.05609	22.4
191.05659	8.5
195.04578	2.0
197.06052	2.4
221.06715	17.5
224.04793	3.1
225.05626	37.0
227.07167	3.3
238.98709	8.2
239.07014	2.9
241.00386	3.4
242.05818	1.7
245.06752	1.5
256.99811	17.8
257.08243	98.9
263.07712	3.6
297.11462	3.7
323.09915	42.5
375.14499	2.5
382.83539	1.7
389.33627	1.8
445.24411	1.8
463.20215	7.3
502.77240	1.7
641.24567	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01414	2.7
61.98854	2.1
71.01365	1.3
74.97355	1.2
89.02487	1.7
92.10136	2.9
132.49895	1.4
176.38530	1.2
487.34427	2.5
603.39148	100.0
604.40149	1.6
639.27765	1.8
639.36877	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	13.1
61.98836	20.3
69.97568	11.7
80.67405	11.6
172.89095	16.2
240.46800	13.7
359.43747	12.8
505.05466	14.3
586.82019	15.2
639.37256	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	640.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41281	0.7
53.86447	0.6
55.01887	10.4
57.03452	7.6
58.00607	0.9
59.01386	40.4
67.18025	0.8
69.11491	0.7
71.01385	61.3
72.99322	1.6
73.02947	27.0
75.00882	1.0
83.01390	14.8
83.01832	1.1
85.02956	51.8
87.00879	1.4
88.25314	0.7
89.02457	3.3
92.10163	1.5
94.90875	0.7
95.01398	8.8
97.02946	1.3
99.00886	10.0
101.02449	54.2
107.04316	0.9
107.05043	4.4
111.00928	0.7
113.02457	26.9
113.33876	0.7
121.02908	1.3
125.02435	1.4
126.49390	0.7
129.01964	1.4
138.43364	0.8
140.28848	0.8
143.03456	1.2
147.03003	1.1
151.04019	1.9
159.03008	5.7
161.04565	25.1
163.10762	0.7
164.03555	5.1
179.25873	0.7
179.89514	0.9
191.01929	1.5
269.10352	18.5
313.06152	4.0
313.09344	100.0
405.07553	0.8
414.99924	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73409	0.1
59.01385	0.1
61.77430	0.1
62.67602	0.1
62.82592	0.1
68.73854	0.1
71.01383	17.5
74.47920	0.1
87.00886	0.1
92.66355	0.1
93.03474	0.2
93.41745	0.1
100.16852	0.1
114.99551	0.2
115.00378	9.9
119.05031	1.1
121.02959	100.0
122.03307	0.9
163.04004	1.2
177.40692	0.1
195.58054	0.1
237.04070	9.0
263.36844	0.1
281.06732	0.5
286.28027	0.1
320.30740	0.1
425.59341	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	639.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23257	0.2
53.55124	0.1
59.01389	3.8
67.32122	0.1
71.01385	18.3
72.99332	0.3
78.32264	0.1
83.67348	0.1
85.02965	0.1
89.02427	0.2
93.03454	0.3
101.08798	0.1
115.00379	8.6
119.05035	0.2
120.05265	0.1
121.02962	100.0
122.03282	0.9
137.02443	1.2
147.04543	5.1
148.04912	0.4
165.05579	5.3
166.05948	0.8
167.06097	0.3
191.05582	0.6
197.11865	1.6
207.06726	1.8
234.57448	0.1
237.04091	9.8
241.11104	0.2
274.39816	0.1
289.20636	0.2
313.82483	0.2
329.16315	0.2
639.25641	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81699	0.1
59.01385	2.4
62.16385	0.1
62.71456	0.1
65.86420	0.1
67.01888	0.2
69.03490	0.2
71.01377	1.6
72.99319	0.2
73.02972	0.4
75.00874	0.2
76.58074	0.1
83.05036	0.2
85.02955	6.8
87.00897	1.8
89.02450	0.9
91.73782	0.2
93.03461	3.4
96.96038	0.3
99.04563	0.2
101.02457	0.4
109.02988	0.4
111.04522	0.9
113.02503	0.3
118.98063	0.2
119.05045	0.7
121.02967	0.3
127.04026	2.1
128.90599	0.2
131.06256	0.2
131.07143	1.4
133.01440	0.2
133.02994	1.0
135.02986	0.3
135.04538	1.4
137.02452	2.3
137.09735	0.2
161.02473	1.7
163.04031	0.8
165.04114	0.4
165.05566	0.2
171.02965	0.6
173.04559	1.1
177.05714	0.2
179.03549	0.8
191.05634	100.0
192.05960	1.5
199.09734	0.8
218.58832	0.2
221.45847	0.2
241.10800	0.2
293.12473	2.1
294.12659	0.3
296.40811	0.2
353.08853	9.2
386.70706	0.2
447.07190	0.3
512.64990	0.2
516.66302	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.1
59.01390	1.8
64.34280	0.2
69.03450	0.1
71.01385	19.4
73.02953	0.4
75.00890	0.3
85.02968	0.9
87.00885	0.3
89.02461	0.8
92.10046	0.2
93.03448	4.8
94.25114	0.1
95.01433	0.2
96.96027	0.2
101.02450	0.9
103.30984	0.2
109.02975	0.3
111.04529	0.2
113.02472	0.4
115.00381	8.6
119.05041	0.9
121.02961	100.0
122.03288	0.9
134.03726	0.3
135.02989	0.3
135.04561	0.3
137.02455	11.7
153.01993	0.2
163.04015	0.4
168.05142	0.1
173.04608	1.2
177.03995	0.2
191.05597	2.1
192.05981	0.6
193.04980	0.2
229.21338	0.2
237.04066	9.2
253.03581	0.2
327.08820	0.6
358.38733	0.2
579.30206	1.5
639.17700	0.3
646.41058	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82859	0.4
55.01900	0.3
56.87348	0.3
57.37654	0.2
58.00615	0.4
59.01395	17.3
67.37016	0.3
71.01393	6.6
72.99303	0.4
73.02944	0.5
75.00896	0.3
83.01393	0.5
85.02953	3.1
89.02450	6.4
93.03439	0.4
93.06425	0.4
101.02438	3.9
113.02454	2.3
119.03503	1.4
121.02986	3.0
132.02179	14.2
134.03755	12.8
135.03035	0.5
135.04514	0.5
147.04524	0.6
148.05309	0.4
149.00676	1.4
149.06081	2.0
160.01674	94.3
161.02037	0.4
161.04617	0.5
167.46709	0.4
174.03268	0.6
175.04022	100.0
176.04637	2.0
177.31221	0.4
178.01190	0.3
178.02690	0.6
191.05618	1.3
191.07158	1.6
192.99750	0.6
193.03323	0.6
193.05075	16.5
202.02740	1.2
217.05092	5.2
222.07033	0.3
235.06152	3.1
265.07230	0.4
269.10370	0.7
295.08356	1.9
355.10410	30.9
457.15717	1.4
460.44690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	21.3
59.01396	7.3
64.28615	0.5
65.86073	0.5
70.02988	8.3
71.01397	3.3
72.00902	4.9
72.76923	0.5
72.94077	0.6
75.00890	1.2
85.02978	3.0
87.00895	1.1
89.02483	3.0
91.05527	7.4
92.10136	0.6
93.03463	5.1
94.03802	1.3
96.95990	5.4
107.44312	0.5
119.05030	2.5
121.02973	5.3
121.77209	0.6
122.03233	0.6
131.07127	0.7
135.03021	3.5
135.04561	1.3
137.02486	4.0
138.02756	1.1
147.04544	36.5
148.04858	1.0
151.85565	0.7
152.01184	0.7
153.01895	0.6
162.18553	0.7
164.07190	98.0
165.07541	4.4
166.07739	0.6
173.04611	2.4
178.83170	0.6
191.05638	13.8
192.06032	3.0
202.29276	0.6
206.08258	100.0
207.08578	4.7
208.08913	1.0
235.36346	0.7
241.08542	0.9
323.93277	0.7
472.16644	0.7
502.14639	1.0
631.51099	0.7
638.18445	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78166	1.0
59.01383	1.8
61.98835	100.0
62.20756	1.0
79.87433	1.1
137.31760	1.3
229.28819	1.4
297.62973	1.3
337.42990	1.5
357.65411	1.4
491.49203	1.2
625.90027	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46459	2.3
50.74346	2.0
53.46738	1.9
54.90992	1.9
58.71595	2.5
59.01389	10.1
61.98844	17.5
71.01388	3.0
72.76848	2.4
102.81129	2.4
116.92885	5.3
121.02981	5.0
165.42570	2.4
173.04604	2.4
194.69937	2.8
196.14388	2.3
286.39606	2.8
487.34265	12.6
601.37738	100.0
637.35468	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50549	0.3
58.02984	19.2
59.01386	2.3
67.01888	0.4
70.02979	8.5
71.01383	1.0
72.00906	4.5
75.00900	0.6
76.55656	0.3
85.02930	0.7
87.00893	0.5
91.05534	11.0
92.10783	1.4
93.03465	6.6
94.03784	0.4
109.02973	0.4
111.04563	1.5
121.02948	5.9
122.03263	0.9
134.03726	0.6
135.04463	0.9
137.02483	0.8
147.04543	35.5
155.03545	0.8
162.09262	0.7
164.07195	87.3
173.04570	19.6
174.04886	4.4
191.05753	2.8
193.05051	0.6
206.08260	100.0
207.08492	0.4
250.07129	0.9
295.08243	3.9
296.08618	2.7
297.64490	0.4
304.16003	0.4
310.90311	0.4
367.29968	0.4
433.64978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45804	0.3
57.03462	0.4
59.01387	1.8
60.99321	1.3
67.01904	4.0
69.03468	1.3
71.01391	2.1
72.85771	0.3
81.03497	0.5
83.05058	0.7
85.02951	5.0
87.00883	7.0
89.02392	0.3
91.05534	24.2
93.03458	25.8
99.00869	0.4
99.04512	0.6
109.02988	0.6
110.71708	0.3
111.04540	4.2
113.02445	0.5
116.53869	0.3
119.05032	10.6
119.05809	0.6
121.02944	0.7
127.04021	1.9
129.01912	1.4
133.02939	0.6
135.04532	3.4
137.02486	0.4
144.38622	0.4
145.02985	1.7
155.03455	0.4
163.04027	58.3
171.02934	0.4
173.04565	5.7
190.05087	4.7
191.05640	100.0
192.06053	0.6
215.04654	0.7
228.32764	0.3
287.06772	4.6
288.07147	1.9
289.17285	0.3
337.09357	23.3
552.52325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24166	12.1
53.86489	13.9
59.01149	11.2
59.01374	100.0
61.97369	12.7
61.98854	30.9
71.01380	14.9
73.55092	13.7
89.02453	34.0
95.24652	15.1
101.02489	18.3
101.03312	12.1
112.80342	15.3
116.92839	31.9
119.05051	35.0
121.02960	99.7
122.03210	16.3
145.02974	62.0
146.03276	22.7
151.66389	15.8
179.05609	16.4
211.66751	15.2
277.21802	84.5
323.10104	23.5
341.10895	60.3
499.33444	15.7
601.32031	24.3
618.38556	19.5
619.38690	25.9
637.30286	31.4
637.40118	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84448	0.4
54.83119	0.4
58.17750	0.4
59.01387	6.5
61.98824	1.9
71.01357	0.5
72.39733	0.4
73.02950	2.1
79.75179	0.4
87.91567	0.5
96.51527	0.5
99.00871	0.9
99.92577	8.0
109.06547	0.5
116.92860	100.0
116.97282	1.0
117.01927	2.9
121.02966	2.6
173.04628	0.6
203.98941	0.5
209.11830	2.4
210.12122	0.6
256.49576	0.5
519.33319	2.1
637.29327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.8
68.43891	0.1
69.81598	0.1
71.01382	1.1
73.02945	3.2
75.00875	0.1
77.04034	0.1
77.80264	0.1
80.72330	0.1
83.01409	0.1
85.02968	0.5
85.06612	0.2
87.00883	0.5
89.02465	0.9
93.03448	0.8
101.02442	0.9
103.04021	0.5
111.04521	0.1
113.02456	0.2
113.06104	0.1
119.03512	0.5
119.05004	0.2
121.02960	100.0
121.14144	0.1
122.03258	0.9
131.07124	0.9
135.02921	0.2
135.04547	0.5
137.02435	0.2
147.03001	0.4
148.49060	0.1
151.04015	0.1
161.02495	0.4
163.04008	0.2
165.04074	0.1
173.04489	0.2
179.03465	0.2
191.05623	1.9
192.05971	0.1
211.77576	0.1
269.06708	15.1
293.12494	1.8
323.13586	0.2
343.10345	0.1
343.21475	0.1
353.08899	0.2
620.69318	0.1
624.31738	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	637.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85565	1.4
55.01902	7.0
57.03461	3.2
59.01384	100.0
61.54548	1.7
66.35152	1.3
71.01385	58.7
73.02937	22.0
83.01383	15.0
84.43633	1.4
85.02960	43.6
87.00901	2.7
89.02449	18.3
93.03448	12.1
95.01410	5.5
96.50979	1.5
99.00911	7.8
101.02444	55.6
107.10371	1.5
108.02200	2.3
109.02998	1.7
111.00912	1.6
113.02460	30.8
115.00382	1.7
119.03522	7.0
121.03004	1.5
133.02991	3.9
135.04536	1.6
137.02466	7.9
143.03546	2.7
143.07144	2.1
159.03017	3.1
161.04585	16.3
167.03476	2.8
179.05637	2.1
191.05655	12.6
268.91882	1.9
269.10291	16.9
313.09378	89.0
321.12067	3.2
323.13547	74.4
548.27313	1.9
557.81305	2.0
620.81213	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	637.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	3.2
71.01392	2.4
85.02954	2.5
87.00853	1.1
89.02444	1.1
90.30959	0.5
93.03454	5.4
96.95992	1.0
98.31026	0.5
111.04510	3.1
119.03473	0.5
119.05022	11.6
121.02955	100.0
122.03299	3.3
129.01991	0.5
133.02950	8.1
135.03027	0.5
135.04526	5.5
137.02449	3.1
139.15166	0.5
155.03502	2.5
161.02451	30.4
163.04037	15.6
173.04555	3.2
177.01961	2.8
179.03589	4.2
191.05632	15.4
192.05923	1.1
193.06116	0.6
216.31958	0.6
243.16818	0.5
243.19965	0.5
293.01575	0.5
295.08267	17.6
296.08478	0.7
337.09271	4.8
341.08844	13.1
351.07028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63226	1.3
56.66153	1.5
59.01394	3.4
61.98832	2.0
64.34961	1.4
69.62940	1.3
73.02969	2.0
117.03469	8.3
119.05047	21.8
121.02966	22.6
135.44865	1.9
145.02960	38.0
195.50974	1.6
453.33807	8.4
471.34702	6.9
487.33646	2.2
497.32834	12.1
617.38660	18.9
635.39789	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
66.96521	0.4
69.55356	0.4
69.75967	0.4
71.01389	2.0
89.02444	2.2
101.02469	0.7
113.02451	0.7
119.03464	0.8
206.44336	0.4
228.52788	0.5
386.33743	0.5
638.48419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29361	0.4
57.63837	0.4
59.01396	8.1
61.98841	0.6
71.01413	5.4
72.99326	1.9
73.02963	1.9
74.60995	0.5
75.00883	8.9
75.50542	0.4
83.01412	0.5
85.02979	3.2
87.00878	4.5
88.98804	0.8
89.02465	2.7
93.03462	12.5
96.96033	0.7
99.00855	0.6
101.02459	2.1
103.35971	0.4
109.02964	2.5
111.00945	0.5
113.02428	0.9
114.93410	0.6
116.92873	0.9
117.02007	0.9
117.03477	2.2
119.03584	0.6
119.05038	9.8
121.02969	66.0
127.61128	0.5
129.01935	0.7
131.05052	1.1
133.02943	0.8
135.03017	14.1
135.04532	4.3
137.02440	1.0
138.31920	0.6
141.01895	0.6
143.05057	7.5
145.02983	5.2
159.04539	0.7
161.02509	1.0
163.04031	7.4
171.04617	0.9
173.04546	7.8
177.04138	3.3
177.05502	0.8
179.03467	0.8
191.05649	3.8
209.04625	8.2
210.06958	5.5
211.07697	75.9
212.07903	0.6
221.04552	4.0
222.06841	1.9
223.07686	100.0
224.07979	0.7
235.07748	1.1
237.09218	3.3
255.03070	2.6
265.05945	0.8
265.08731	19.5
283.02576	3.5
283.09909	1.7
295.08188	2.5
309.07773	3.8
327.08789	13.3
353.10367	24.5
415.23300	1.1
427.10156	0.7
445.11252	0.8
455.49677	0.6
459.25812	0.7
471.13034	5.7
491.21555	0.5
577.15259	0.7
577.28894	1.1
637.15826	1.1
637.30731	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36383	0.4
56.72274	0.3
59.01387	7.0
60.31581	0.3
61.94839	0.4
61.98846	1.5
73.02959	0.3
99.92597	9.4
116.92867	100.0
117.03493	1.8
117.92915	0.6
118.03777	0.5
119.05045	1.7
121.02956	0.8
145.02982	5.7
146.03328	2.5
162.83945	2.5
191.41301	0.4
197.43260	0.4
227.69769	0.4
453.33896	1.5
471.34848	3.2
475.17694	0.5
499.22708	0.4
553.35645	3.1
553.42822	0.4
617.38080	0.6
634.38617	2.1
635.25421	2.1
635.39160	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	635.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52629	0.9
59.01375	1.6
60.64317	0.9
69.10798	0.9
86.55476	0.9
91.94968	0.9
116.92866	14.7
117.03480	20.4
119.05035	60.8
119.97005	1.1
121.02962	81.5
140.98097	1.0
142.02020	0.9
145.02969	100.0
146.03271	1.2
148.19633	1.1
148.47371	1.0
158.74629	1.3
163.03989	1.7
391.29831	1.2
453.33740	14.9
471.35104	1.4
497.32773	44.1
573.39917	4.5
617.38574	66.2
618.39490	3.7
635.39703	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12139	3.4
52.75681	3.0
59.01390	7.8
61.98836	19.5
64.00762	3.3
64.34402	3.2
65.24825	3.7
68.99829	3.9
72.48849	3.9
92.10787	9.3
95.75912	3.7
111.82957	4.0
116.92870	7.6
117.03490	30.1
118.91814	4.5
118.92663	4.6
119.05047	52.9
121.02970	80.9
131.10587	3.8
145.02992	100.0
161.02440	5.9
162.83931	30.1
174.59727	4.0
193.16180	4.2
471.34824	61.1
497.32761	22.1
527.93359	4.5
553.35266	21.5
617.38525	61.8
635.19452	5.8
635.39435	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.9
59.91756	3.0
75.87244	2.9
78.95929	24.4
87.99170	3.2
90.92142	3.0
96.46092	3.8
152.99553	6.8
255.23317	16.6
262.64236	4.3
278.64075	3.5
339.65964	3.5
445.16739	4.4
455.35141	5.0
488.18564	13.8
531.55103	4.1
575.22748	29.1
576.23859	6.2
635.25421	100.0
635.35175	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	635.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.4
61.98846	1.4
73.02967	0.4
76.80939	0.2
94.96931	0.3
99.00872	1.1
99.92587	8.8
99.93176	0.5
116.92866	100.0
117.01947	0.3
117.03435	1.6
117.92867	1.2
124.24720	0.3
145.02951	4.2
146.03311	1.7
162.83908	0.3
170.34427	0.3
276.80325	0.3
471.34741	3.3
472.34848	0.3
473.35654	0.3
553.35376	2.1
634.37988	0.5
635.26318	0.3
635.39099	3.3
653.11859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2524
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
71.17756	0.9
78.95926	1.2
124.06183	0.9
130.79930	1.0
143.86096	1.0
149.54559	1.1
255.23421	1.0
266.60977	1.0
399.34076	1.0
415.15744	1.0
430.14322	4.7
431.19122	1.2
433.20496	1.1
444.15942	1.2
445.16388	7.0
450.99286	1.1
459.18433	1.3
473.15628	8.5
474.16989	6.2
475.17847	4.4
487.17740	1.8
488.18561	8.9
489.19379	6.4
490.20215	1.9
501.19446	3.9
505.22589	4.0
516.17932	3.8
529.18945	1.9
575.23193	22.8
576.24146	6.6
635.25293	100.0
636.25201	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	635.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43403	0.1
59.01381	1.9
61.16608	0.1
69.03508	0.2
71.01370	1.2
73.02934	0.4
75.00866	1.5
80.64729	0.1
81.57771	0.2
85.02958	6.5
85.03457	0.2
87.00856	1.7
89.02453	0.7
93.03457	3.3
96.95960	0.2
98.38767	0.2
99.04506	0.3
109.02973	0.3
111.04534	1.1
117.01934	0.4
119.03564	0.2
119.05008	2.7
121.02965	0.3
127.04014	2.0
131.07143	0.7
133.02969	1.4
135.03000	5.5
135.04533	4.5
137.02428	0.3
155.03477	0.3
161.02457	3.4
163.04027	3.5
171.02959	0.4
173.04561	2.2
179.03503	4.2
191.05640	100.0
192.06027	0.4
281.06760	0.3
293.12433	0.9
341.08749	1.7
353.08847	11.2
517.13922	0.2
635.15668	0.4
645.91107	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.4
61.98838	0.4
62.05526	0.3
63.02421	0.3
71.01392	0.8
73.02960	0.3
83.01429	0.6
85.03032	0.6
89.02468	0.5
91.01899	0.6
93.03461	4.8
96.96042	1.4
97.48871	0.3
101.02440	0.6
102.71021	0.3
107.01392	2.5
108.02222	0.5
109.02982	2.0
119.05068	0.5
121.03004	1.7
131.04973	0.4
135.00891	0.9
137.02457	1.5
141.07198	0.5
143.05020	2.0
145.03006	0.5
151.00348	0.5
153.01952	0.8
154.04245	0.4
155.05028	0.5
157.06639	0.8
159.04555	3.5
163.00418	3.5
165.01968	0.7
167.05066	1.5
169.06599	1.5
171.04568	1.5
173.04637	0.6
173.06035	0.6
183.04561	0.5
185.06110	4.8
187.04042	6.6
189.05598	1.8
191.05647	2.1
192.00781	0.4
195.04567	1.6
197.06134	1.7
199.04062	0.8
201.05600	1.7
211.04044	3.0
213.05646	3.1
214.02835	0.6
215.03648	0.4
227.03542	8.4
229.05093	23.4
239.03499	2.7
240.04239	0.8
241.05124	2.5
255.02982	9.2
256.03806	2.1
257.04593	10.7
267.03021	1.7
284.03235	6.2
285.04092	100.0
286.04453	1.7
317.50076	0.4
493.50803	0.5
575.14124	3.5
593.15210	4.5
635.16351	17.2
636.15997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.5
65.43208	1.4
70.65290	1.6
71.01405	3.5
71.72181	1.5
84.00780	1.7
84.03176	1.7
85.02975	2.3
92.10789	3.1
93.03497	10.1
96.96046	6.5
101.02513	1.9
109.02979	8.7
117.66032	1.6
119.05042	2.0
121.02940	7.3
121.05799	1.5
134.49570	1.6
137.02475	3.0
137.65045	1.4
143.05008	2.5
144.04654	2.1
145.03015	2.2
146.06192	1.8
147.04535	2.9
153.01900	1.7
159.04568	3.6
163.00421	2.7
163.04021	2.3
168.83839	1.7
171.04491	1.7
171.27019	1.6
173.04582	14.1
185.06171	1.9
187.04002	6.3
189.05595	2.7
191.05621	2.6
201.05620	2.3
206.05275	1.6
209.11876	2.8
213.05605	2.4
227.03624	12.4
229.01465	9.8
229.05151	17.8
239.03680	2.8
255.00815	1.6
255.02992	12.8
255.51813	1.5
257.04608	10.4
267.06677	3.4
277.05185	1.8
284.03345	9.9
285.04092	100.0
286.04471	2.1
295.06110	6.0
327.26190	1.7
339.05121	13.8
417.20935	1.7
620.64960	1.9
635.16180	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	635.163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79111	0.2
59.01399	2.3
60.99337	1.0
61.98864	0.2
63.02427	0.8
63.64628	0.2
67.01920	0.2
69.76243	0.1
71.01392	1.5
73.02988	0.4
75.00899	0.2
81.42896	0.2
83.01423	0.8
85.02984	1.0
88.98820	4.3
89.02483	0.8
91.01910	0.7
93.03459	4.4
93.04016	0.2
95.01418	0.2
96.96057	0.9
97.02901	0.2
99.04538	0.2
101.02467	1.1
107.01405	3.1
108.02184	0.3
109.02972	1.9
113.02485	0.4
117.03491	0.9
119.03504	0.2
119.05038	0.7
121.02988	0.8
129.01939	0.2
131.05020	0.4
132.02225	0.3
132.83675	0.2
135.00922	1.8
135.04614	0.2
137.02486	1.0
141.07114	0.3
142.15404	0.2
143.05029	1.9
145.03017	0.4
145.06657	0.4
151.00404	0.8
153.01956	0.8
154.04358	0.4
155.05046	0.2
157.06570	1.5
158.03780	0.3
159.04514	2.6
161.04623	0.3
163.00392	4.1
165.01942	0.7
167.05084	1.3
168.05714	0.2
169.06599	1.3
171.04501	1.9
173.02513	0.2
173.04568	0.3
173.06073	0.3
179.05551	0.2
183.04517	1.0
185.06078	4.4
187.04048	6.3
189.05583	1.9
191.05652	1.5
195.04553	1.1
196.05247	0.3
197.06129	2.3
198.03331	0.3
199.03996	1.6
201.05678	1.5
211.04037	3.6
212.04831	0.7
213.05618	3.1
214.02786	0.4
215.03520	0.8
223.04117	0.4
223.07777	0.2
224.04797	0.2
227.01302	0.3
227.03549	11.1
229.05087	22.0
239.03519	2.5
240.04335	1.3
241.05025	2.2
243.03044	0.3
255.03029	13.1
255.05705	0.4
256.03738	2.4
257.04578	9.7
258.04980	0.3
267.03091	1.5
284.03293	10.6
285.04092	100.0
286.04376	1.7
327.05084	0.8
343.34494	0.2
413.21777	0.4
575.14148	2.9
575.27417	0.9
593.15344	4.2
635.16260	16.8
636.16547	0.9
653.22461	0.2
653.59302	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79622	0.4
54.82633	0.4
58.92775	0.4
78.95909	0.6
81.74569	0.4
89.49224	0.4
92.09996	0.8
147.96101	0.5
183.10289	0.6
303.23346	100.0
304.23761	0.7
664.80646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	4.7
61.98844	100.0
71.01384	4.9
73.02956	1.0
83.01373	0.5
85.02968	2.9
87.00922	1.7
89.02457	1.0
92.10123	1.3
93.03466	2.5
96.87286	0.4
96.96033	1.1
98.95601	0.6
99.00902	2.0
101.02444	2.1
104.39785	0.4
107.05051	0.9
108.02202	0.8
109.02945	1.0
113.02466	1.7
117.03466	4.7
119.05056	2.1
121.02949	12.5
135.04523	2.9
137.02443	1.9
142.33849	0.4
145.02969	25.8
150.97079	0.5
152.01230	0.7
154.43565	0.4
158.13766	0.5
159.04364	0.5
163.04002	1.0
173.04572	0.9
191.05617	7.3
224.07033	0.5
247.47150	0.5
272.08893	0.5
275.88220	0.4
285.04053	0.5
571.16711	6.1
607.16785	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	635.1416
Annotation	Kaempferol 3-(4''-acetyl-6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
52.06484	0.9
59.01394	8.1
61.98825	13.7
71.01393	6.3
73.02971	1.7
76.90968	1.3
77.94455	1.1
83.01395	1.2
85.02969	2.8
89.02461	1.4
93.03469	5.9
101.02462	2.0
101.62704	1.1
104.88706	1.2
107.01369	3.5
113.02475	1.6
116.92866	2.2
117.03477	5.0
119.05033	2.5
121.02946	10.4
125.02489	1.4
132.02156	1.7
135.00873	1.8
135.04494	1.6
137.02448	1.2
145.02966	15.5
151.00381	7.5
163.00398	2.4
173.04596	5.0
183.04529	2.3
185.06097	2.4
187.04079	2.1
191.05522	2.1
201.05540	1.8
210.80505	1.3
211.04008	5.2
213.05676	1.8
227.03537	61.1
229.05110	14.8
239.03511	1.7
241.05249	1.5
255.03021	100.0
256.03784	11.0
257.04587	8.6
283.02316	1.5
284.03296	97.8
285.04065	94.8
349.09534	1.8
489.10309	1.4
635.03442	2.4
635.14197	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3809
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
51.17999	0.5
54.21351	0.5
55.84242	0.5
57.05120	0.5
58.20965	0.7
66.47926	0.5
67.00820	0.5
117.03472	19.8
119.05032	44.9
121.02949	1.6
123.04458	0.9
136.42746	0.6
145.02969	78.7
155.82845	0.6
163.04025	26.8
181.84943	0.6
421.31155	0.9
469.33429	4.2
633.38116	100.0
634.38550	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10756	0.2
59.01410	1.0
61.53585	0.2
81.46999	0.2
89.05254	0.2
116.92870	1.1
117.03477	26.7
118.29933	0.3
119.05036	9.0
121.02968	1.2
122.64052	0.2
126.74261	0.3
133.03043	0.5
138.92258	0.2
145.02977	100.0
146.03407	0.3
151.25587	0.3
151.26732	0.3
156.23422	0.3
161.02469	1.4
162.03268	0.3
162.83894	0.4
163.04056	1.8
164.53346	0.3
209.76677	0.3
242.21945	0.3
250.16180	0.2
312.21960	0.3
320.18805	0.3
421.31329	1.4
469.33032	0.4
513.32452	1.7
633.38153	48.7
634.38696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32528	0.1
52.56941	0.2
52.87436	0.2
55.04955	0.2
57.09739	0.2
59.01394	0.4
61.49208	0.2
61.98838	1.4
69.72210	0.2
79.16779	0.2
81.19418	0.2
86.20961	0.2
103.86936	0.2
111.84084	0.2
116.92839	1.6
117.03473	27.0
119.05030	9.4
121.02942	1.4
121.06650	0.2
123.04532	0.4
134.06538	0.2
144.54573	0.2
145.02969	100.0
146.03319	0.3
152.99936	0.2
154.12767	0.2
162.03241	0.3
163.04013	1.4
165.36263	0.2
198.97435	0.2
223.71017	0.2
244.77435	0.2
347.27692	0.2
421.31201	1.2
439.32349	0.3
487.34216	0.3
513.32721	1.5
633.38129	49.3
634.38708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83251	0.5
57.76138	0.4
61.98850	0.5
76.49418	0.4
76.68127	0.4
86.25552	0.5
92.10870	0.9
100.13570	0.4
116.92854	7.8
117.03476	20.4
119.05032	46.2
121.02962	1.9
123.04554	0.6
137.61095	0.5
145.02969	77.1
146.03220	0.5
163.04021	27.9
193.51613	0.4
251.11792	0.5
275.26669	0.5
421.31363	1.0
469.33478	5.0
625.36694	0.5
633.38098	100.0
634.38611	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	633.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.5
61.98832	0.7
66.36077	0.3
67.42962	0.3
69.89373	0.3
86.81250	0.3
96.68817	0.4
99.46244	0.4
114.93426	0.4
115.13345	0.3
116.92870	1.3
117.02641	0.8
117.03471	24.0
119.05025	23.0
121.02947	3.2
145.02971	95.0
146.03271	0.8
162.83952	0.4
163.04019	11.4
190.55475	0.4
192.69740	0.3
193.88736	0.3
356.27927	0.4
421.31454	0.8
421.94208	0.5
469.33145	2.7
471.35022	1.7
497.88733	0.4
524.54968	0.4
615.37292	1.9
633.38147	100.0
634.38562	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	633.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90263	0.3
57.80129	0.3
59.01401	0.5
61.98840	0.6
62.14286	0.3
92.10103	0.9
99.00879	0.3
99.92599	9.7
101.10327	0.4
116.92875	100.0
116.97285	2.1
117.01977	0.5
117.92906	1.4
145.02989	2.7
160.84251	1.7
162.83974	0.7
218.50223	0.3
453.33417	0.7
471.34940	0.8
633.38153	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18177	0.3
59.01409	0.5
61.98833	0.3
64.34874	0.3
66.88004	0.3
92.10117	0.4
99.89851	0.3
116.92802	0.3
117.03476	19.2
119.05029	40.0
121.02941	2.2
133.02963	0.7
145.02969	71.7
146.03336	1.8
162.03200	0.5
163.04021	23.9
191.05585	0.5
201.91325	0.4
285.30002	0.3
286.66431	0.4
421.31110	1.2
469.33307	5.6
471.34741	8.6
587.39423	1.6
633.38098	100.0
634.38293	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	631.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42925	0.8
59.71405	1.0
61.98851	2.3
62.09420	0.9
64.34627	1.3
122.72844	1.0
126.35209	1.0
150.54935	1.0
212.66742	0.9
246.16542	1.0
277.21768	100.0
361.65121	1.1
415.21799	1.3
567.15662	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82978	0.1
57.03442	0.1
59.01389	1.0
60.99329	0.1
63.43376	0.1
67.01912	0.4
71.01388	0.6
73.02957	0.1
81.03489	0.2
83.05025	0.1
85.02966	6.1
85.20869	0.1
87.00883	1.5
92.10117	0.2
93.03457	3.6
93.69299	0.1
99.04527	0.2
101.02463	0.1
109.02945	0.6
111.04534	1.1
117.03432	0.1
119.05035	1.0
121.02985	0.5
125.02424	0.1
126.48425	0.1
127.04011	2.0
131.99846	0.1
145.02994	1.0
145.05133	0.1
146.42456	0.1
155.03493	0.2
163.04042	1.3
171.03041	0.6
173.04559	1.3
191.05640	100.0
192.05984	0.4
337.09348	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	631.3648
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
50.91772	1.2
56.85088	1.4
61.98866	2.1
67.11374	1.3
95.21307	1.5
107.39359	1.5
116.92903	1.5
117.03471	31.1
119.05050	9.0
121.02951	2.2
130.09140	1.4
145.02974	100.0
157.77266	1.5
188.70258	1.4
270.85098	1.5
362.54001	1.5
631.36584	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3646
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
61.98834	4.4
66.85416	3.2
68.83900	2.5
82.64934	2.5
113.04076	2.7
117.03489	25.4
119.05020	15.1
126.44255	3.0
145.02959	100.0
151.51672	3.1
163.04095	4.0
200.10526	3.4
230.09183	2.8
261.20264	3.6
268.88190	3.6
303.71301	3.2
309.01547	3.2
412.18906	3.4
417.51706	3.4
533.77600	3.8
587.38275	3.7
588.39966	12.4
631.36633	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15428	0.7
55.01883	1.0
57.03466	6.0
57.19724	0.8
59.01388	63.7
61.98841	1.8
68.97392	0.8
69.03479	1.0
69.97182	0.8
71.01386	14.0
72.99327	1.0
73.02559	1.1
73.02949	3.5
75.00896	1.6
76.00802	0.9
83.01383	1.5
83.05006	0.9
85.02963	5.5
87.00886	1.7
87.04542	1.3
88.98832	0.9
89.02464	4.4
93.03457	7.2
95.05036	1.1
96.96011	7.5
99.04512	1.4
101.02467	6.8
108.02206	1.9
108.04590	1.1
109.02948	1.5
113.02463	4.6
116.50536	1.0
116.92849	1.3
119.03591	1.4
119.05035	19.8
121.02955	38.1
125.02426	1.3
125.06099	1.0
135.03024	1.1
135.04552	1.5
135.08119	1.5
137.02444	3.8
139.04077	1.2
139.10306	1.8
139.11307	27.3
145.03023	3.6
149.09743	10.9
151.11247	1.0
152.01155	1.6
153.09239	2.2
160.37679	1.1
163.04002	1.6
163.11296	1.9
167.10791	12.5
169.12325	2.0
171.01260	0.9
173.04582	6.3
179.10817	1.3
181.12305	8.7
183.10284	26.0
185.29050	0.9
191.05627	17.7
195.06709	1.1
195.13962	1.5
197.11920	2.1
199.13365	1.1
204.03719	1.1
205.24580	1.0
225.11400	16.3
226.94479	1.0
238.79411	1.1
243.12431	7.6
249.03430	1.8
259.06168	1.2
285.03946	1.6
285.13339	1.5
334.52402	1.0
515.20758	1.0
542.59857	1.0
631.19293	7.0
631.33502	100.0
632.33911	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.4
59.01392	2.9
65.03973	0.4
65.98874	0.4
71.01400	2.7
75.00885	0.7
85.02975	2.0
89.02485	0.7
93.03462	0.9
96.96006	0.7
101.02457	0.9
109.02969	9.3
119.05008	0.9
121.02940	0.6
123.04531	73.3
129.01932	0.5
135.04620	0.4
137.02444	3.9
153.02029	5.5
153.05592	100.0
154.05949	0.5
154.08739	5.5
163.03957	0.7
177.04027	2.4
181.09868	2.7
191.05646	0.8
195.05130	0.5
207.62898	0.4
219.41603	0.5
315.07260	9.2
315.11020	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	631.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99582	0.3
69.87733	0.2
73.02959	1.1
99.00896	0.3
99.92593	7.9
112.98573	0.4
114.93390	0.4
116.92873	100.0
117.01962	1.6
117.92876	0.8
145.02965	0.8
175.13669	0.2
253.02631	0.2
323.07843	0.2
404.72031	0.2
470.55954	0.2
471.34854	0.4
493.00391	0.2
631.35327	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83115	0.1
59.01388	0.2
73.02940	1.9
80.47571	0.1
84.99645	0.1
99.00883	0.9
99.92583	10.0
114.93408	0.2
116.92860	100.0
116.97210	1.4
117.01939	2.4
117.05576	0.1
117.92895	0.5
138.95682	0.1
145.02956	0.4
157.15984	0.1
172.29083	0.1
195.21512	0.1
535.39703	0.1
536.33673	0.1
631.35443	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	631.335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37151	1.2
55.01889	1.4
57.03461	6.6
58.00624	1.1
59.01391	74.1
61.98827	1.8
69.03484	1.0
71.01403	14.1
73.02970	4.3
75.00908	2.3
81.03474	1.1
83.01424	1.2
83.05050	1.2
83.98338	1.0
85.02972	6.2
87.00908	1.7
87.04527	1.3
89.02455	6.6
93.03464	8.4
96.96025	8.7
99.00919	1.2
101.02448	5.6
108.02166	2.0
109.02953	4.3
109.06560	1.2
113.02483	2.1
116.92884	1.1
119.03532	1.8
119.05034	19.7
121.02962	40.7
125.02442	1.4
135.02979	1.6
135.04568	1.5
137.02452	2.2
137.09747	1.1
139.07680	1.9
139.11316	26.0
140.97699	1.3
145.03009	5.8
149.09717	15.6
152.01180	2.3
153.01973	1.5
161.02480	1.5
163.04037	1.7
163.11324	1.4
164.04596	1.2
166.02599	1.2
167.10811	13.4
169.12401	3.9
173.04628	9.3
179.07095	1.3
179.10806	4.7
181.12398	9.6
183.10286	32.6
191.05666	16.6
197.11784	2.2
211.07596	1.5
225.11386	20.3
243.12442	6.6
247.05052	1.1
259.06006	1.2
284.03610	1.5
285.13443	2.0
407.86795	1.1
631.20160	7.9
631.33514	100.0
632.33978	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	631.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14512	0.6
59.01390	3.3
64.34766	0.9
67.01907	1.9
71.01385	1.8
73.02960	0.8
83.05044	1.2
83.88927	0.7
85.02966	6.7
85.06587	1.0
87.00885	6.0
89.02435	1.6
93.03458	19.4
93.43635	0.8
95.01464	1.0
95.05036	0.9
96.96022	4.2
105.03479	4.0
107.05062	1.4
109.02991	4.1
111.04524	6.9
119.05022	82.3
120.05386	0.9
121.02970	16.2
121.23577	0.8
123.04517	1.0
127.04023	3.2
129.01898	0.8
131.07130	1.1
133.02953	30.5
133.03880	1.6
135.02975	1.3
135.04543	10.7
137.02516	1.0
140.49170	0.8
149.05476	1.0
155.03523	4.8
161.02467	1.1
163.04024	100.0
166.99759	0.9
173.04575	13.7
177.01949	7.2
179.03557	4.0
191.05637	97.2
215.05652	11.5
246.23090	0.9
272.38297	1.0
293.12372	3.7
295.08194	1.5
307.08447	1.2
337.09387	41.6
351.07257	21.3
642.58667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82780	0.4
59.01395	2.0
71.01408	2.1
75.00895	0.7
85.02978	2.4
88.23655	0.3
90.73527	0.3
93.03451	1.7
93.87754	0.3
96.96027	0.7
101.02452	0.5
109.02963	10.3
123.04533	69.7
124.04845	0.5
133.03021	0.5
137.02470	2.2
153.02057	5.2
153.05594	100.0
154.08783	4.9
177.04022	2.7
181.09860	0.8
195.05052	0.9
203.08205	0.7
269.39612	0.4
315.07227	6.5
315.10971	18.9
590.93921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02988	4.8
59.01392	7.3
61.98820	0.6
65.00335	1.3
70.02989	3.5
71.01391	5.9
72.00928	1.0
72.04556	0.6
74.02479	25.0
75.00860	0.9
79.29571	0.5
83.01426	0.6
85.02971	3.0
87.00905	1.2
89.02448	0.9
90.47532	0.5
91.01904	8.6
93.03476	11.9
95.01379	0.9
96.96011	2.8
98.02472	7.2
101.02479	1.1
104.01637	0.6
107.05077	0.7
107.82732	0.6
108.02194	1.0
109.02967	56.3
111.04538	1.1
113.02428	2.2
115.00403	0.9
116.03546	7.4
116.05052	9.7
117.03471	6.3
119.05048	3.9
121.02135	1.0
121.02969	17.6
121.03849	0.8
130.06561	0.7
131.05016	3.7
135.04523	3.1
137.02460	2.2
142.06624	2.7
143.05046	36.2
145.02982	22.8
145.06671	0.7
146.03772	8.4
147.04538	12.0
152.01154	1.0
153.01974	0.9
158.03796	0.5
159.04555	4.5
159.09265	2.6
161.02518	0.8
163.04048	1.2
165.05530	1.1
173.04585	11.7
175.04050	0.6
181.06987	0.6
191.05682	8.8
196.05212	0.8
201.10379	2.6
203.08313	28.7
207.06592	0.7
209.06154	0.8
210.06897	1.0
211.07729	3.7
225.09105	1.0
235.07689	17.2
236.08308	1.0
238.06432	0.5
245.09361	48.0
251.07173	10.3
252.07890	1.2
253.08748	100.0
254.09071	1.2
295.08276	3.6
297.07745	43.0
341.06879	0.6
439.20740	0.6
529.15845	0.7
571.17078	4.0
595.29419	0.6
631.20520	1.0
640.78015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02990	12.3
59.01389	5.6
70.02992	8.6
71.01420	4.3
72.00929	3.6
72.04573	1.3
72.99291	0.5
74.02483	56.3
75.00893	3.2
78.95918	0.6
85.02966	1.2
87.00890	1.1
92.93557	0.6
93.03447	4.7
98.02483	14.8
101.02494	0.8
108.02176	3.3
109.02965	2.8
113.02473	0.6
115.00382	1.4
116.02792	1.0
116.03552	18.3
116.05067	25.2
119.05034	1.0
121.02953	17.4
130.06613	3.8
131.07217	0.7
135.04526	1.2
137.02438	3.3
142.06650	4.3
147.04529	3.2
148.94189	0.6
152.01134	4.0
153.01933	1.3
159.09286	6.3
163.03920	0.7
165.05594	3.1
173.04543	0.8
183.09283	0.7
186.05656	1.0
191.05630	5.4
201.10371	6.7
203.08298	64.2
207.06639	0.7
245.09343	100.0
273.27332	0.7
315.07077	0.7
327.08905	0.6
341.08838	5.1
390.93100	0.6
469.13647	1.0
571.17670	0.6
605.79108	0.6
631.19641	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	629.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.5
73.02940	0.9
74.49828	0.5
84.95134	1.1
99.92581	7.4
101.71729	0.4
102.39966	0.5
114.93414	0.5
116.92863	100.0
116.97205	0.6
117.01933	1.0
121.02952	1.8
191.05531	0.6
198.34010	0.4
216.11371	0.5
346.36359	0.5
466.36237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83179	61.3
54.83475	68.1
55.60449	56.6
56.41968	58.3
57.24578	58.2
59.27071	61.4
59.79432	67.4
60.94126	58.0
91.38811	64.7
116.92860	100.0
149.97798	67.4
317.05484	76.5
389.86984	78.6
460.50128	72.6
610.09204	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83179	61.3
54.83475	68.1
55.60449	56.6
56.41968	58.3
57.24578	58.2
59.27071	61.4
59.79432	67.4
60.94126	58.0
91.38811	64.7
116.92860	100.0
149.97798	67.4
317.05484	76.5
389.86984	78.6
460.50128	72.6
610.09204	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62232	0.2
59.01390	2.2
61.98838	1.0
63.02423	1.0
65.00333	1.3
69.03475	0.2
73.02961	0.4
75.42750	0.2
83.01403	1.5
85.02955	1.2
87.00858	0.3
89.02428	0.3
91.01911	0.3
93.03455	5.0
95.01412	1.4
96.96014	1.4
99.00856	0.3
101.02454	1.0
103.55949	0.2
103.89494	0.2
107.01391	4.3
108.02193	0.5
109.02985	2.1
111.00879	0.5
113.02471	0.4
116.92873	1.1
117.03467	5.1
119.01419	0.3
119.05027	5.6
121.02964	3.5
122.03728	1.6
123.00883	2.0
123.04546	0.5
124.01665	0.5
125.02473	0.6
131.70448	0.3
132.02176	1.4
133.02936	0.5
134.03812	0.2
135.00871	1.7
135.04541	1.5
136.01645	0.5
137.02467	2.1
138.03233	0.6
139.00388	1.4
139.04007	1.0
143.05029	1.3
145.02965	18.5
145.06677	0.3
146.03352	0.3
147.04524	1.3
149.02477	2.9
150.03233	11.6
151.00381	8.1
151.03979	0.5
152.01118	0.4
153.01950	1.5
153.05667	0.5
154.04214	0.3
155.10791	1.3
157.06639	0.9
158.03886	0.3
159.04475	1.9
161.02429	0.5
161.06081	1.0
162.03146	0.3
163.00380	3.0
163.04013	4.4
164.01077	0.4
164.04826	0.5
165.01924	1.1
165.05582	9.9
166.02722	6.8
167.05055	1.1
169.01399	1.2
169.06625	0.5
170.01869	0.2
171.04517	1.1
173.02461	0.3
173.04556	1.1
173.06017	0.4
174.03220	0.5
175.03973	2.1
176.01196	0.6
176.04800	0.2
177.01923	1.2
177.05598	1.3
178.02698	0.6
178.23904	0.2
179.03484	1.2
180.04285	1.0
181.05083	7.5
183.04556	1.5
185.06105	3.3
187.04021	4.4
189.02013	0.5
189.05539	1.7
190.99838	0.6
191.03557	2.9
191.05618	3.6
192.04306	1.6
193.05072	1.2
195.04599	0.6
195.06622	1.8
197.06093	1.1
199.04008	1.3
200.04796	0.5
201.05603	1.0
203.03558	4.5
205.05127	1.0
207.06628	2.2
211.04076	3.6
212.04884	0.5
213.05643	2.6
214.02744	0.6
215.03641	0.4
217.05075	0.3
218.05901	3.7
219.06589	0.3
220.95819	0.3
221.04495	1.2
227.03532	51.6
228.04095	2.0
229.05101	14.5
230.05241	0.3
233.08157	3.0
235.06049	0.4
236.06924	3.3
239.03477	2.4
240.04341	0.6
241.05052	2.3
251.09306	6.1
255.03018	90.2
256.03729	9.9
257.04596	9.8
258.04919	0.3
258.35352	0.3
267.03030	0.5
268.03723	0.3
269.04602	0.5
283.02490	1.0
284.03293	100.0
285.04068	90.5
286.04337	1.9
307.08243	2.3
327.05139	0.6
355.08279	0.4
357.09647	0.3
358.10477	1.2
373.12961	1.2
385.13141	0.4
416.11447	0.4
417.12088	0.5
418.12323	0.4
431.13568	1.0
433.14944	2.8
447.09409	1.4
455.13385	0.3
581.20728	2.0
593.13135	82.6
594.13348	4.8
629.22546	14.0
629.31097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	0.2
59.01388	9.8
61.35482	0.2
61.98832	0.9
65.78226	0.2
69.03484	0.3
71.01390	3.1
72.99316	0.3
73.02943	1.8
75.00880	0.5
77.04036	0.2
83.01413	1.3
85.02950	1.8
87.00877	1.9
89.02447	2.1
93.03479	1.4
95.05035	0.3
96.96008	2.0
101.02434	2.7
105.03500	0.5
109.02966	0.5
111.00912	0.3
113.02475	2.2
115.01896	0.3
117.03426	0.9
119.03545	0.3
119.05029	0.3
121.02967	2.6
123.04470	0.3
125.02467	0.4
132.02176	2.4
133.02962	41.7
134.03810	0.2
135.04536	4.3
135.78474	0.2
137.02518	0.3
149.04594	0.3
150.03233	0.3
152.01161	0.2
153.01913	0.3
155.03563	0.3
161.02460	100.0
162.02876	0.5
163.04086	0.4
164.39957	0.3
173.04535	0.5
179.03500	2.3
179.05795	0.3
191.05629	3.0
227.03447	0.5
255.02939	0.3
284.03278	1.2
323.07761	1.4
341.10965	1.1
348.04373	0.3
383.12033	1.5
425.12872	0.4
446.75137	0.3
447.09464	1.4
579.86133	0.3
587.16382	1.6
629.17303	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	629.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73054	0.1
54.82795	0.2
59.01388	9.7
61.98844	0.3
69.03480	0.2
70.97080	0.2
71.01386	3.4
73.02953	1.7
73.30782	0.2
75.00876	0.3
75.60390	0.2
83.01411	1.2
85.02958	1.4
87.00871	2.4
89.02451	1.7
91.84358	0.2
93.03459	0.9
95.01405	0.3
96.96004	1.5
101.02446	2.2
105.03452	0.5
108.02180	0.4
109.02982	0.7
111.04502	0.3
113.02493	2.2
115.01918	0.3
117.03464	0.7
119.03493	0.8
119.04999	0.4
121.02973	3.3
123.04552	0.3
125.02470	0.8
129.01930	0.3
132.02164	2.7
133.02962	43.0
135.04515	3.6
137.02454	0.7
149.06197	0.2
150.03242	0.3
152.01045	0.3
160.01675	0.3
161.02458	100.0
162.02850	0.3
163.04041	0.3
173.04587	0.8
179.03523	2.2
179.04921	0.2
179.05460	0.2
185.06035	0.2
191.05627	2.8
227.03514	0.4
237.03897	0.2
248.08107	0.2
255.03098	0.9
284.03293	0.7
285.03964	0.3
323.07452	1.4
340.41309	0.2
341.11032	1.4
380.04831	0.3
383.12219	1.5
425.13010	0.9
447.09015	0.4
471.63632	0.2
587.16394	1.4
629.17340	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	629.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14299	0.1
54.82329	0.1
59.01393	8.6
61.36307	0.2
61.65844	0.1
69.03506	0.2
71.01398	2.6
73.02971	1.1
83.01433	0.9
85.02983	1.1
87.00878	1.7
89.02435	1.8
89.04004	0.2
93.03470	0.2
95.01390	0.3
96.96024	0.3
97.02966	0.3
101.02460	2.2
105.03476	0.8
109.02984	0.2
110.26186	0.2
113.02451	2.0
117.03465	0.9
119.03512	0.4
119.05047	0.2
121.02929	1.3
123.04540	0.3
125.02440	0.3
132.02179	2.6
133.02963	42.6
134.03728	0.2
135.04510	3.5
141.02054	0.2
143.03532	0.4
152.01144	0.3
159.04527	0.2
160.01578	0.2
161.02460	100.0
162.02808	0.4
163.04074	0.3
179.03517	1.9
179.05441	0.6
189.05510	0.2
191.05623	1.1
233.04549	0.2
285.04169	0.3
323.07446	1.4
341.10934	1.3
383.12119	1.4
425.13037	0.9
510.72147	0.2
522.54730	0.2
587.16351	1.2
629.17242	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	629.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.5
69.03481	0.3
71.01392	2.2
73.02942	1.6
75.00922	0.2
77.03996	0.2
83.01405	1.4
85.02969	0.5
85.18830	0.2
87.00879	2.2
89.02459	1.4
93.03477	0.9
96.96014	0.4
101.02465	1.7
105.03466	0.4
109.02959	0.7
113.02431	2.3
115.01945	0.3
117.03488	1.1
121.02968	0.8
125.02458	0.3
131.03503	0.2
132.02197	2.4
133.02962	45.5
135.04530	3.1
137.60455	0.2
160.01602	0.3
161.02458	100.0
162.02791	0.4
173.66490	0.2
179.03517	1.6
179.05586	0.3
191.05611	1.4
203.50679	0.2
274.91714	0.2
323.07120	1.6
341.11029	1.5
383.11929	1.2
425.13116	0.5
428.47418	0.2
478.98938	0.3
551.97491	0.2
587.16296	1.4
629.17279	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	629.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.4
71.01380	3.6
71.60799	0.4
73.02958	1.6
75.00878	0.5
78.61839	0.4
80.57564	0.3
83.01405	1.5
85.02972	1.9
87.00891	0.9
89.02449	2.3
93.03467	3.7
96.96012	6.2
99.00899	0.5
99.04526	0.5
101.02464	2.3
105.03505	0.6
107.01418	0.9
108.02216	0.8
109.02968	0.5
112.72942	0.4
113.02457	1.6
119.05006	0.7
121.02963	6.3
123.04565	0.5
125.02472	0.5
127.04046	0.4
132.02127	3.2
133.02960	42.6
134.03717	0.5
135.00887	0.8
135.03038	0.6
135.03374	0.4
135.04518	8.7
137.02449	2.4
141.01956	0.5
141.68907	0.5
149.02448	2.1
149.71828	0.5
150.03241	8.2
151.00406	1.0
151.03929	0.4
152.01181	0.7
153.01910	0.8
161.02458	100.0
163.00388	1.0
163.04112	0.8
165.05576	10.9
173.04575	0.6
173.06021	0.5
179.03464	4.2
180.04372	0.6
183.04480	0.4
185.06107	0.9
187.04074	1.7
189.05522	0.7
190.02882	0.4
191.05635	5.2
195.06677	5.8
196.07434	0.4
197.06075	0.6
202.02708	0.5
203.68608	0.4
210.03352	0.4
211.04041	0.8
213.05618	0.8
227.03555	17.9
229.05096	6.8
239.03505	0.8
239.50621	0.4
241.05095	0.5
255.03024	31.7
256.03870	1.9
257.04611	4.5
284.03305	35.5
285.04080	44.8
286.04266	0.5
323.07809	0.5
327.05237	0.5
363.49078	0.4
394.47467	0.4
407.17319	0.9
408.26691	0.4
431.22894	0.5
500.67227	0.4
587.16858	3.1
593.15240	39.2
629.17340	14.9
629.24854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16264	0.3
59.01399	1.6
60.18674	0.3
61.71766	0.3
65.00349	0.5
66.99244	0.3
72.72990	0.3
75.79546	0.3
76.29802	0.4
82.16857	0.4
82.34150	0.4
83.01401	0.7
84.49169	0.4
85.02962	0.6
93.03468	2.0
96.96033	0.5
107.01391	3.1
108.02204	0.6
109.02980	0.5
114.39388	0.7
117.03482	4.9
119.05029	4.5
121.02963	0.8
132.02196	0.6
133.02971	0.7
135.00920	1.5
137.02432	0.7
145.02974	16.1
150.03239	0.7
151.00381	4.3
152.01146	0.5
157.06604	0.4
158.44165	0.4
159.04576	0.5
161.02434	0.7
162.89682	0.4
163.00377	1.5
163.04041	3.0
164.01212	0.5
165.02010	0.6
165.05617	0.6
169.06630	0.6
171.04555	0.6
171.09122	0.4
173.04565	0.5
178.69980	0.4
179.03572	0.5
183.04462	0.6
185.06114	2.3
187.04059	2.1
191.03641	0.3
191.05603	0.7
195.04654	0.6
199.04037	0.7
200.04724	0.5
201.05609	0.4
205.05113	0.5
211.04048	2.1
212.04875	0.5
213.05579	2.2
227.03545	47.0
229.05069	7.6
239.03557	0.8
240.04277	0.6
241.05121	0.5
255.03027	76.9
256.03821	7.8
257.04584	5.9
269.04645	0.5
283.02536	0.7
284.03311	100.0
285.04102	60.7
285.07349	1.0
286.04190	0.4
297.03619	0.4
307.08328	0.6
341.37244	0.4
447.09433	1.9
593.13177	78.9
594.13013	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66750	0.8
54.82975	0.9
93.03477	2.6
93.34654	0.9
96.95974	1.1
107.01421	4.5
108.43291	0.9
109.54620	1.1
117.03484	1.8
119.05022	2.0
121.02942	1.4
132.02200	1.0
135.00900	1.2
145.02979	14.7
151.00388	6.6
163.00351	2.3
163.04033	4.2
173.04611	1.6
185.06105	2.4
187.04033	2.1
188.58360	1.0
189.05608	1.3
194.77072	1.0
204.17152	1.0
211.04002	4.7
213.05641	1.8
214.02565	1.2
227.03540	48.7
229.05058	13.8
239.03526	2.4
255.03021	88.3
256.03830	10.4
257.04526	8.7
257.27316	1.1
284.03305	100.0
285.04065	95.0
311.33499	1.1
315.75113	1.1
593.13135	98.6
594.13580	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	627.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05468	0.1
54.68134	0.1
56.95307	0.1
65.93224	0.1
92.10111	0.3
152.95091	0.1
171.20827	0.1
172.63147	0.1
251.23767	0.2
269.24899	100.0
270.25226	1.1
535.74146	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	629.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
59.01384	4.2
61.98840	12.6
63.02400	0.9
65.00349	0.6
67.01928	0.8
71.15219	0.6
82.92813	0.5
83.01416	1.2
84.05756	0.6
85.02978	1.4
86.51472	0.6
87.00892	1.1
88.98795	1.4
89.02434	0.9
93.03472	5.7
96.96024	5.3
101.02453	2.4
107.01424	5.1
108.02181	0.8
109.02934	1.2
113.02448	1.0
116.92869	0.7
117.03484	5.0
117.21418	0.7
118.33854	0.6
119.05019	5.0
119.35561	0.7
121.02954	8.6
125.02448	0.8
127.11406	0.6
132.02170	0.7
134.03735	0.8
135.00853	1.4
135.04538	3.0
137.02455	1.1
137.09737	0.8
143.05052	0.7
145.02965	18.8
149.02502	0.8
150.03209	0.8
151.00345	5.7
152.01198	1.4
153.01906	2.1
155.10811	15.9
157.06563	1.2
159.04521	1.0
161.02452	1.1
163.00378	3.4
163.04089	4.3
165.05542	0.9
167.05005	0.8
169.01404	1.2
173.04579	2.2
185.06084	1.5
187.03949	4.5
189.05493	1.4
191.05626	9.2
197.06137	0.8
199.04071	1.1
199.09743	3.9
201.05603	0.8
205.05092	0.7
211.04027	4.2
213.05635	2.3
227.03540	52.6
229.05086	14.2
232.14679	0.7
239.03539	3.8
241.05074	2.4
255.03008	90.5
256.03787	8.9
257.04480	5.8
283.02893	0.9
284.03293	100.0
285.04074	85.0
307.08194	2.2
429.20575	0.7
447.09305	2.7
449.14749	0.9
502.10565	0.6
552.75055	0.6
593.13141	91.2
594.13263	0.9
629.23059	5.2
629.32434	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	627.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98718	0.5
54.98709	0.5
57.03467	4.0
58.00602	1.0
59.01388	100.0
71.01384	34.5
72.99322	1.0
73.02982	1.0
79.91414	0.6
81.59164	0.5
83.01396	1.0
85.02959	6.7
87.00905	1.0
89.02446	53.9
92.10163	1.1
95.01411	2.8
101.02453	18.3
113.02458	14.3
119.03511	20.6
121.02961	0.9
143.03529	4.0
149.04561	0.7
149.09758	1.3
161.04562	5.8
165.05632	0.6
171.54596	0.8
179.05626	22.9
207.13911	1.0
221.06779	0.7
231.78600	0.6
232.31902	0.6
237.81377	0.6
243.01395	0.6
302.23236	0.7
405.21277	3.2
470.58954	0.7
565.69904	0.7
567.17621	1.0
567.26660	30.8
597.59772	0.8
612.42603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2108
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.79239	2.3
55.06890	2.7
60.96031	2.9
61.98840	4.3
70.63880	2.6
74.44593	2.7
78.35150	2.9
92.10815	3.1
98.21590	3.0
102.91367	2.8
374.09738	3.7
438.13065	3.5
452.14932	3.5
481.15234	16.4
495.16876	15.9
551.19531	45.0
595.18878	6.1
627.21204	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	627.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75313	0.3
59.01381	2.0
71.01386	1.0
73.02939	0.5
75.00911	0.3
75.63187	0.2
76.44238	0.3
76.57375	0.3
85.02984	0.3
89.02438	0.4
89.37618	0.2
93.03471	1.4
96.96027	1.1
101.02460	0.3
106.59525	0.3
113.02466	0.3
121.02965	100.0
122.03319	1.3
123.03510	0.3
137.02446	1.1
151.00388	0.3
191.05656	1.6
239.05649	14.6
240.06068	0.3
286.62366	0.3
293.20270	0.3
294.86404	0.3
335.80554	0.3
542.94757	0.3
627.26172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	11.6
55.44956	0.6
57.03458	7.1
59.01385	42.4
63.04742	0.7
71.01383	63.3
72.99306	1.3
73.02943	27.8
83.01389	16.7
85.02950	44.6
87.00894	1.1
89.02462	3.3
92.13602	0.8
95.01390	7.2
97.02940	0.7
99.00869	10.3
99.01325	0.7
101.02438	57.0
107.65212	0.6
113.02458	25.2
125.02553	0.7
129.01933	1.0
132.79805	0.7
159.02997	4.8
161.04567	25.0
234.45164	0.7
269.10370	20.0
313.09338	100.0
314.09485	4.9
449.09714	0.7
450.21878	0.7
547.70679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	3.0
59.01387	25.2
60.99314	4.6
61.98831	3.8
63.02427	4.9
65.00330	15.8
71.01407	13.2
72.99329	2.0
73.02966	3.8
83.01414	13.3
85.02968	21.3
87.00870	4.0
88.98811	26.6
89.02469	3.7
93.03471	20.3
95.01439	2.5
95.79893	2.0
96.96041	10.1
99.04517	2.1
101.02465	8.7
107.01407	28.6
108.02184	6.9
109.02962	17.9
111.04554	3.2
113.02437	3.5
116.92842	3.4
119.05061	13.0
121.02979	29.8
123.04573	4.2
124.01692	9.4
125.02475	7.6
129.01964	2.8
135.03084	3.0
135.04523	17.4
136.98822	19.2
137.02440	4.8
143.05086	3.2
145.02980	4.8
146.03773	13.9
147.04588	8.5
149.02486	2.5
149.06142	10.6
150.99168	3.2
151.00391	100.0
152.01192	24.6
159.04530	8.5
161.02451	4.3
162.03273	3.8
163.00368	4.7
163.04031	11.8
165.01973	3.6
169.01425	8.0
173.04578	4.5
174.03221	3.8
175.04004	11.5
178.99867	30.4
179.03517	3.1
187.04036	13.0
189.01979	2.6
191.05640	85.1
192.00652	2.4
193.01405	2.3
193.05118	3.6
199.04089	2.2
211.04021	8.8
212.04803	2.4
213.05627	12.4
215.03529	7.6
215.07166	3.2
217.08788	2.1
218.02216	12.7
219.03014	15.7
224.04826	2.6
225.05522	3.0
227.03529	13.0
229.01482	15.2
229.05147	4.3
239.03554	2.4
241.05147	15.1
241.08641	2.8
243.03026	18.1
253.09012	2.5
254.02209	3.7
255.03014	35.2
257.04523	16.2
259.02512	10.8
266.02222	2.6
269.04657	10.8
269.08279	8.7
271.02509	83.1
283.02481	4.4
284.03360	10.6
285.04095	63.7
286.04691	3.3
289.07239	3.4
293.04568	3.7
294.05124	3.2
297.04095	3.7
299.02011	8.1
300.02811	94.4
301.03571	54.6
313.03687	21.4
313.06973	3.6
314.04410	61.9
325.07272	3.6
341.03214	2.7
346.03381	97.5
387.65247	2.2
391.12015	14.0
420.08481	27.3
421.09457	34.8
435.10986	40.7
447.07376	9.4
463.08786	35.5
465.08170	16.8
505.10278	3.1
583.14783	48.0
609.12762	7.9
626.30164	2.1
627.13489	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	3.0
59.01387	25.2
60.99314	4.6
61.98831	3.8
63.02427	4.9
65.00330	15.8
71.01407	13.2
72.99329	2.0
73.02966	3.8
83.01414	13.3
85.02968	21.3
87.00870	4.0
88.98811	26.6
89.02469	3.7
93.03471	20.3
95.01439	2.5
95.79893	2.0
96.96041	10.1
99.04517	2.1
101.02465	8.7
107.01407	28.6
108.02184	6.9
109.02962	17.9
111.04554	3.2
113.02437	3.5
116.92842	3.4
119.05061	13.0
121.02979	29.8
123.04573	4.2
124.01692	9.4
125.02475	7.6
129.01964	2.8
135.03084	3.0
135.04523	17.4
136.98822	19.2
137.02440	4.8
143.05086	3.2
145.02980	4.8
146.03773	13.9
147.04588	8.5
149.02486	2.5
149.06142	10.6
150.99168	3.2
151.00391	100.0
152.01192	24.6
159.04530	8.5
161.02451	4.3
162.03273	3.8
163.00368	4.7
163.04031	11.8
165.01973	3.6
169.01425	8.0
173.04578	4.5
174.03221	3.8
175.04004	11.5
178.99867	30.4
179.03517	3.1
187.04036	13.0
189.01979	2.6
191.05640	85.1
192.00652	2.4
193.01405	2.3
193.05118	3.6
199.04089	2.2
211.04021	8.8
212.04803	2.4
213.05627	12.4
215.03529	7.6
215.07166	3.2
217.08788	2.1
218.02216	12.7
219.03014	15.7
224.04826	2.6
225.05522	3.0
227.03529	13.0
229.01482	15.2
229.05147	4.3
239.03554	2.4
241.05147	15.1
241.08641	2.8
243.03026	18.1
253.09012	2.5
254.02209	3.7
255.03014	35.2
257.04523	16.2
259.02512	10.8
266.02222	2.6
269.04657	10.8
269.08279	8.7
271.02509	83.1
283.02481	4.4
284.03360	10.6
285.04095	63.7
286.04691	3.3
289.07239	3.4
293.04568	3.7
294.05124	3.2
297.04095	3.7
299.02011	8.1
300.02811	94.4
301.03571	54.6
313.03687	21.4
313.06973	3.6
314.04410	61.9
325.07272	3.6
341.03214	2.7
346.03381	97.5
387.65247	2.2
391.12015	14.0
420.08481	27.3
421.09457	34.8
435.10986	40.7
447.07376	9.4
463.08786	35.5
465.08170	16.8
505.10278	3.1
583.14783	48.0
609.12762	7.9
626.30164	2.1
627.13489	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70227	0.1
59.01383	2.5
60.01718	0.3
60.23735	0.2
60.99330	0.2
61.98837	100.0
64.35108	0.2
66.66791	0.1
67.14700	0.1
69.04640	0.1
71.01395	1.0
73.02950	0.2
75.93076	0.2
85.02938	0.2
88.98846	1.1
89.02444	0.7
93.03474	0.2
96.84964	0.2
101.02441	0.4
102.02741	0.2
106.41414	0.1
108.16068	0.2
109.03009	0.2
113.02474	0.2
114.02787	0.2
114.35823	0.2
126.44113	0.2
191.05515	0.8
436.55225	0.2
493.90594	0.2
565.31433	0.8
566.31860	1.5
626.28552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70171	0.2
50.71746	0.1
51.09093	0.2
59.01411	0.2
61.01696	0.2
71.01388	17.1
71.91444	0.2
76.17225	0.2
79.34589	0.2
80.68790	0.1
82.11144	0.2
82.22196	0.2
84.21519	0.2
93.03444	0.2
115.00382	8.8
121.02962	100.0
122.03275	0.7
130.53270	0.2
135.04498	0.2
148.18964	0.2
167.69078	0.2
237.04088	11.1
285.22205	0.2
388.62671	0.2
435.58295	0.2
438.80579	0.2
578.73224	0.2
620.81458	0.2
641.13391	0.2
651.01483	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.7
56.31670	0.3
56.37960	0.3
57.03466	1.4
58.00605	0.7
58.06785	0.3
59.01395	30.5
61.64749	0.3
66.75466	0.3
69.03483	1.7
71.01392	17.6
71.01780	0.6
72.99324	0.9
73.02958	3.1
75.00915	0.4
81.03490	0.4
83.01414	2.0
85.02954	4.5
87.00879	3.6
89.02450	18.7
95.01418	1.2
97.02923	3.3
101.02448	14.3
111.08176	1.4
113.02453	7.1
113.40723	0.4
119.03509	4.3
119.05066	0.5
121.02947	0.6
123.04523	0.5
125.02450	3.6
131.03520	0.6
143.03511	0.7
161.04582	2.2
165.12845	11.5
173.04616	0.4
179.05637	1.4
183.13916	100.0
184.14275	0.5
191.05692	0.4
209.11839	1.5
221.06693	1.9
227.12910	8.6
235.08232	1.9
237.06042	0.5
241.10980	0.3
253.09132	0.7
329.09097	0.4
356.36169	0.4
397.13721	2.8
415.14862	2.8
486.54858	0.4
559.26563	0.4
607.26471	0.5
625.27252	92.3
626.27716	1.4
632.93970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27454	0.2
59.01415	0.4
67.14977	0.3
71.01385	17.7
72.41032	0.2
73.80927	0.2
95.64114	0.3
109.02953	0.5
114.99580	0.3
115.00385	9.2
119.75656	0.3
121.02960	100.0
122.03291	2.4
122.87897	0.3
124.76292	0.3
146.29477	0.3
153.01953	0.3
191.05641	0.5
218.37660	0.2
237.04060	11.1
271.02472	0.4
299.02295	0.3
300.02838	0.5
301.03601	1.4
356.26529	0.3
401.18121	0.3
463.09036	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70171	0.2
50.71746	0.1
51.09093	0.2
59.01411	0.2
61.01696	0.2
71.01388	17.1
71.91444	0.2
76.17225	0.2
79.34589	0.2
80.68790	0.1
82.11144	0.2
82.22196	0.2
84.21519	0.2
93.03444	0.2
115.00382	8.8
121.02962	100.0
122.03275	0.7
130.53270	0.2
135.04498	0.2
148.18964	0.2
167.69078	0.2
237.04088	11.1
285.22205	0.2
388.62671	0.2
435.58295	0.2
438.80579	0.2
578.73224	0.2
620.81458	0.2
641.13391	0.2
651.01483	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50865	0.1
57.30419	0.1
59.01385	0.2
71.01385	18.4
74.65359	0.1
84.56662	0.1
85.50906	0.1
86.21103	0.1
93.03465	0.2
95.16064	0.1
115.00383	8.6
121.02962	100.0
122.03327	0.2
151.00362	0.3
170.29256	0.1
191.05635	0.2
192.99628	0.5
237.04077	10.9
246.17256	0.1
255.02782	0.1
271.02487	0.2
300.02765	1.1
301.03610	0.5
391.64145	0.1
463.08719	0.7
585.84296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76068	0.3
54.56303	0.2
55.22970	0.3
59.01395	1.5
61.98837	2.1
68.14200	0.3
71.01392	0.6
82.47296	0.3
85.02952	0.4
93.03457	0.7
98.05766	0.3
108.02173	2.5
109.02951	1.7
117.90767	0.3
121.02960	13.2
122.03735	2.0
123.00883	1.4
123.04514	1.2
124.01661	1.4
134.03752	0.3
135.04506	0.6
136.05301	1.4
137.02422	0.7
137.06046	0.7
143.05081	1.7
145.02974	1.8
146.03700	0.4
147.04521	4.5
149.02478	2.3
150.03232	6.6
151.04025	0.4
152.01164	2.2
153.01897	0.7
158.03726	5.0
159.04526	15.2
160.05315	49.2
161.06102	14.8
162.03284	0.3
163.04028	6.3
164.04800	6.9
168.04263	0.4
173.06081	6.7
174.06827	1.2
175.07658	39.4
176.04785	1.3
177.05586	9.2
178.06378	14.9
179.03493	0.4
191.65605	0.3
192.07899	3.3
193.08746	3.6
211.07730	0.4
255.02997	0.4
285.03751	0.4
314.11572	1.1
329.14017	100.0
330.14386	2.9
359.14877	2.1
468.10095	0.3
625.28766	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	625.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74083	0.1
59.01408	0.3
67.04317	0.1
71.01389	20.2
72.01720	1.5
73.01820	0.6
77.03986	0.2
92.10145	0.2
93.03452	0.3
114.01959	0.2
115.00384	8.7
116.00706	1.1
117.00827	0.6
121.02962	100.0
122.03298	18.2
123.03439	3.9
167.03401	0.2
168.60780	0.1
177.04073	0.2
227.92946	0.1
237.04074	8.8
238.04424	2.6
239.04556	1.5
255.02924	0.2
271.02444	0.3
300.02808	0.7
301.03491	0.7
330.07541	1.1
393.32016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.4
61.46970	0.3
67.01914	0.6
67.47675	0.3
69.03483	0.3
71.01402	0.7
78.46986	0.3
85.02975	1.3
87.00889	0.6
93.03454	7.2
99.57297	0.3
100.16058	0.3
101.02473	0.3
111.04546	1.3
119.05035	3.8
121.02934	0.6
131.03809	0.6
132.04536	0.6
133.02931	0.4
134.03748	0.7
134.62874	0.3
137.02437	0.5
144.04585	0.4
145.04039	0.3
157.07704	1.6
163.04022	2.4
163.33287	0.3
173.03564	1.8
173.04700	9.9
177.01831	0.3
178.02783	0.4
181.07753	1.4
183.05644	9.9
191.05637	16.1
191.68654	0.3
193.05061	0.7
199.08849	0.6
201.06706	0.4
215.04666	32.4
225.06772	1.5
243.07768	3.3
244.72153	0.3
267.18903	0.4
287.06787	100.0
288.07181	1.1
314.93063	0.3
337.09335	4.4
431.56055	0.3
545.86536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14844	0.2
52.37774	0.3
53.28418	0.2
54.86069	0.2
59.01397	2.3
67.01902	0.3
68.70593	0.2
71.01405	1.1
73.02979	0.3
79.42037	0.2
85.02962	6.3
87.00887	2.2
87.12160	0.2
89.02465	0.5
93.03454	4.4
96.96015	1.7
99.04555	0.4
109.02978	0.5
111.00922	0.2
111.04538	0.9
113.02460	0.3
119.05038	0.4
127.04008	2.0
131.07086	0.3
133.02986	1.1
135.03018	0.3
135.04533	1.4
155.03575	0.3
161.02438	1.5
163.04034	0.5
171.02986	0.3
173.04553	1.5
179.03569	1.0
191.05647	100.0
192.05963	1.4
197.46124	0.2
232.59746	0.2
250.69284	0.3
293.12363	0.9
351.07458	0.4
353.08838	8.1
353.13028	0.4
598.92426	0.3
599.68207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48663	0.5
59.01387	5.7
62.71490	0.5
70.79611	0.5
71.01384	3.9
72.61583	0.5
75.00890	0.8
83.59652	0.5
89.02460	3.0
90.96933	0.5
92.10796	0.6
93.03436	0.5
96.95997	0.6
101.02472	1.2
107.01403	2.2
109.02959	0.7
113.02467	0.6
118.83043	0.6
119.03555	0.8
119.05029	3.1
121.02972	3.8
135.02974	0.9
135.04538	0.9
137.02483	1.2
149.02406	0.6
151.00377	7.9
153.50128	0.5
163.00340	1.0
163.04012	3.2
169.01448	0.6
171.04552	0.6
173.59946	0.5
178.99968	0.7
187.04047	0.7
191.05595	1.2
195.55962	0.7
199.04018	4.8
215.03487	1.2
220.45897	0.5
226.02711	1.0
227.03537	4.6
243.03036	4.8
254.02156	0.6
255.03047	3.4
271.02527	70.6
299.02020	100.0
300.02759	11.8
301.03586	38.6
343.04562	1.0
462.08173	17.5
463.09027	20.2
464.08496	0.6
503.32867	0.6
565.25177	0.9
607.15161	0.6
625.14221	60.2
626.14038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89171	0.6
51.92044	0.6
55.01883	0.9
57.03455	0.7
58.00611	0.6
59.01392	9.1
59.45049	0.6
62.10263	0.8
71.01389	5.0
73.02969	1.3
75.00884	3.5
83.01395	0.9
85.02983	3.7
87.00892	1.1
89.02447	4.7
93.03466	2.7
95.64015	0.7
101.02448	3.3
101.06070	0.8
104.45947	0.7
107.01393	1.2
113.02442	1.7
119.03506	0.7
121.03019	2.7
123.01640	0.7
130.08757	4.0
131.09111	0.8
133.02992	1.5
135.03011	5.9
135.04565	2.8
137.02449	4.8
147.00819	0.7
147.04526	0.8
149.02438	0.7
151.00400	6.6
172.09813	2.9
173.10112	0.9
178.99834	1.5
179.05406	0.8
191.05661	3.3
199.04018	2.7
201.01921	0.7
215.03479	1.0
224.12659	0.7
227.03532	3.0
243.02931	4.7
255.03064	1.4
271.02542	64.4
278.94995	0.7
299.02036	100.0
300.02835	10.8
301.03613	38.7
358.79126	0.7
414.67886	0.8
462.08112	15.6
463.08923	17.3
517.28082	0.9
535.29285	5.4
557.36230	0.7
565.25104	3.3
625.14258	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1213
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
54.82632	0.3
57.03465	1.2
57.93190	0.2
58.53037	0.2
59.01387	4.6
59.01650	0.3
61.98841	2.2
63.02399	0.5
64.34393	0.3
65.00339	1.7
68.99839	0.3
71.01395	5.3
72.99326	1.3
73.02962	1.3
73.54171	0.3
81.58546	0.3
83.01406	1.7
85.02943	3.8
87.00883	1.6
88.98817	0.3
89.02452	1.4
91.01894	2.3
93.03445	2.5
95.01405	0.4
99.00896	1.2
101.02456	1.2
105.03500	0.3
107.01400	3.7
108.02204	1.6
109.02979	2.4
111.04545	0.4
113.02448	2.4
115.00401	0.5
119.05028	1.4
121.02957	6.1
123.04556	0.4
125.02463	0.5
129.01955	0.4
133.02950	4.2
134.03682	0.3
135.00908	1.3
135.03004	0.5
135.04541	4.6
136.04919	0.4
137.02426	1.2
139.04057	0.4
143.04985	0.3
145.03073	0.5
147.04549	0.3
148.01704	1.4
149.02455	0.3
151.00389	17.0
151.03981	1.2
152.01134	0.6
153.01965	1.2
159.04520	0.5
161.02467	7.7
161.06116	0.3
163.00400	2.7
163.04033	1.3
164.01286	0.7
165.04079	0.5
165.12851	1.6
169.01422	1.3
173.04601	0.4
174.03291	0.4
175.03957	0.3
177.04047	0.4
178.99881	9.4
179.03397	2.4
183.04501	0.5
183.13924	10.6
187.04053	0.5
190.99814	0.4
191.05597	2.7
192.00673	0.5
193.01317	0.4
197.00970	0.5
198.01556	0.3
199.04062	0.5
200.04823	0.4
201.05569	0.5
203.03644	0.3
211.04008	1.3
215.03554	0.5
226.02774	1.5
227.03542	2.5
227.12927	0.4
229.05046	1.3
243.03041	10.1
245.04558	1.8
249.06123	0.6
254.02141	2.3
255.03040	28.5
267.07300	0.5
271.02533	59.3
272.03210	2.2
273.04089	1.5
283.02414	1.3
285.03915	0.5
295.08228	0.4
299.02103	0.7
300.02814	100.0
301.03592	42.8
302.04001	0.4
323.07904	0.6
333.95578	0.3
463.08948	40.4
464.09192	0.6
477.19876	5.2
579.29999	1.1
625.12213	41.4
625.23108	3.0
626.12408	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
71.23227	0.3
71.79954	0.3
73.48857	0.2
96.95966	0.5
152.76854	0.3
160.84042	0.3
184.87718	0.3
198.71292	0.4
279.38791	0.3
351.60785	0.3
391.66553	0.3
531.51788	0.4
554.47980	0.3
624.09222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84211	0.3
58.96152	0.3
59.01397	0.7
61.98843	100.0
67.01709	0.3
72.02116	0.3
73.80348	0.4
87.05573	0.3
92.49473	0.3
97.03792	0.3
104.72705	0.3
111.40924	0.4
317.95346	0.3
397.10977	0.3
441.26822	0.4
503.72241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79470	0.3
59.01379	0.8
61.98836	100.0
67.46149	0.3
144.50256	0.4
224.48056	0.4
372.12677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95051	0.2
55.65437	0.2
57.36548	0.2
59.01403	2.1
61.98843	100.0
71.01392	2.1
73.02963	0.4
75.00902	0.2
76.84406	0.3
83.01415	0.2
85.02972	1.2
88.98873	0.2
89.02458	0.4
91.80952	0.3
93.03461	0.4
99.00884	0.2
101.02474	0.9
107.82189	0.2
108.02176	0.3
113.02467	0.4
115.98965	0.3
119.03615	0.3
119.05015	0.3
121.02946	1.3
125.02444	0.3
135.04527	0.3
137.02437	1.0
152.01141	0.3
159.04494	0.3
161.02386	0.3
171.10233	0.3
173.04509	0.4
177.01953	0.3
179.03622	0.2
191.05574	0.9
265.14578	0.3
327.21832	0.5
328.22079	0.3
415.39139	0.2
449.46674	0.3
562.29071	0.3
563.29633	0.6
564.30060	1.4
624.17072	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.6
55.83166	0.3
57.03457	2.3
58.00613	1.4
59.01387	53.1
61.98837	60.7
69.03490	0.3
71.01383	33.1
72.99311	3.0
73.02946	8.2
75.00879	0.5
77.74653	0.3
78.95916	0.4
81.03487	0.3
83.01395	5.1
85.02953	15.7
87.00883	2.5
88.98803	0.7
89.02445	28.1
92.10790	0.6
93.03452	1.3
95.01388	3.1
97.02968	1.4
99.00883	2.8
101.02448	27.5
105.79331	0.3
109.02985	0.5
111.00864	2.2
113.02458	15.3
116.92860	0.6
117.03466	1.8
119.03510	9.1
119.04958	0.4
121.02948	4.6
123.04597	0.3
125.02428	0.5
129.01990	0.5
131.03502	0.6
135.04497	1.2
137.02467	0.7
141.02019	0.4
143.03505	1.3
145.02948	4.8
149.04686	0.5
152.99629	0.4
158.40361	0.3
159.03050	1.4
161.04567	4.3
173.04623	1.2
179.03279	0.4
179.05626	4.9
191.05640	0.5
210.06834	0.7
210.86082	0.3
211.07678	4.8
221.06674	0.6
227.03520	1.3
255.03018	2.0
284.03296	1.7
285.04056	2.7
336.62421	0.4
401.25531	7.7
412.17563	0.4
416.26630	0.4
433.42114	0.4
561.66492	0.4
563.30804	100.0
564.31079	2.2
593.12885	0.6
623.28070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50379	0.3
55.01890	6.0
57.03455	4.7
58.00602	1.6
59.01389	47.7
61.98837	41.0
61.99312	0.5
69.03467	0.8
71.01384	52.9
72.99316	2.4
73.02949	16.7
75.00881	0.8
78.95911	1.6
81.03488	0.4
83.01392	11.0
85.02957	30.5
87.00868	3.0
87.04551	0.4
88.98788	0.6
89.02448	20.9
92.10223	0.5
93.03485	0.6
95.01392	4.9
96.95998	0.4
97.02959	2.2
99.00890	6.7
101.02445	47.5
109.02953	0.8
111.00883	0.8
113.02457	21.6
114.93414	0.4
115.80244	0.4
116.92822	0.6
119.03490	8.2
119.04944	0.4
121.02971	3.9
125.02452	2.7
126.81122	0.4
131.03481	0.8
136.46529	0.3
137.02417	0.5
141.01909	0.5
143.03523	3.0
145.03062	0.4
149.04565	0.4
152.99603	0.8
159.03001	2.4
159.04411	0.6
161.04578	14.8
173.04588	1.7
179.05653	2.8
191.05630	0.5
209.11868	2.1
215.99544	0.4
221.06667	0.5
271.31720	0.4
295.08435	0.4
401.25525	16.9
412.35022	0.4
563.30823	100.0
564.31158	1.9
591.25458	0.6
640.75677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81670	0.6
53.01194	0.8
54.83063	0.7
55.01896	3.7
57.03475	2.7
59.01392	33.4
60.99321	0.8
61.98841	31.4
69.03483	0.9
71.01395	26.8
71.01775	1.0
72.99326	1.1
73.02962	9.1
75.00873	1.0
78.95916	75.2
80.02703	1.6
81.03481	1.7
83.00977	0.8
83.01379	5.1
83.05042	8.5
83.71195	0.7
84.02201	1.4
85.02966	14.7
85.03385	0.8
87.00893	1.4
88.98814	7.6
89.02453	17.5
93.03487	3.8
95.01404	2.8
96.96025	1.4
96.96992	7.0
97.02970	1.0
99.00907	3.4
101.02456	23.0
103.04012	1.3
104.00957	0.8
107.05038	1.2
109.02963	1.2
113.02468	10.1
116.92876	4.7
119.03483	6.2
121.02957	8.6
125.02444	1.0
125.09742	0.9
134.98584	0.8
135.04533	3.1
137.02510	2.7
143.03572	1.0
145.02959	1.1
152.99605	59.0
159.03056	1.0
161.04584	5.0
163.11345	6.1
165.12883	4.2
171.00702	0.8
173.04573	4.1
177.01918	3.8
179.05663	4.9
191.05602	2.8
191.10829	3.2
209.11876	100.0
210.12222	1.1
214.37076	0.8
227.12997	4.8
285.03873	0.9
327.21753	1.2
330.38004	0.8
363.12195	14.8
381.13397	4.3
395.14948	3.4
401.25519	11.9
503.58676	0.9
563.30688	49.1
591.25964	31.5
623.18170	1.0
623.28516	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	623.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20584	0.1
59.93250	0.1
62.78386	0.1
66.05119	0.2
69.73822	0.2
71.01385	17.5
92.87242	0.2
114.99567	0.3
115.00383	8.7
121.02966	100.0
122.03265	0.6
178.49835	0.2
212.09743	0.2
237.04100	11.5
248.60844	0.2
589.13916	0.2
619.73926	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27588	0.1
54.82178	0.1
58.25925	0.1
59.01389	0.5
71.01384	18.3
75.00883	0.2
81.57559	0.1
85.02988	0.1
87.00883	0.2
89.02460	0.5
93.03468	0.6
101.02461	0.2
102.60560	0.1
109.03082	0.1
112.07364	0.1
115.00375	8.9
119.05032	0.3
121.02954	100.0
122.03305	0.7
127.61002	0.1
137.02411	0.3
138.68735	0.1
191.05626	0.6
237.04073	9.6
240.39346	0.2
286.77271	0.1
288.17828	0.1
328.13065	0.1
535.59540	0.1
623.23663	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	0.2
58.42712	0.2
59.01397	0.7
63.01527	0.1
66.69998	0.2
70.36701	0.1
71.01385	17.7
74.02495	0.7
75.00880	0.1
77.29684	0.1
85.02946	0.2
91.66276	0.1
93.03486	0.3
110.19427	0.1
113.02420	0.2
114.99550	0.2
115.00387	9.1
121.02969	100.0
122.03254	0.5
133.03012	0.2
140.35153	0.1
153.25989	0.1
161.02405	0.6
165.05542	0.3
203.08307	1.0
220.83260	0.1
237.04092	10.7
245.09332	1.3
378.92935	0.2
623.22528	0.2
650.94324	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14545	0.4
54.30988	0.4
55.01888	2.6
55.77743	0.4
57.03461	2.4
58.00611	1.8
59.01389	45.9
59.11362	0.4
67.01915	0.4
69.03492	0.4
71.01385	32.7
72.99320	2.8
73.02946	6.5
75.00880	5.3
83.01396	4.1
85.02956	13.4
87.00886	2.3
89.02448	26.1
89.03011	0.7
93.03461	44.1
94.03795	0.6
95.01396	2.2
95.05022	0.4
96.96020	2.5
99.00873	4.7
101.02447	22.9
101.03101	1.0
105.03497	1.7
109.02972	1.0
111.00891	0.8
113.01701	0.9
113.02460	16.7
116.92854	0.6
119.03506	11.2
119.04225	0.7
119.04943	3.4
121.02967	2.3
123.04549	0.7
124.38207	0.4
125.02469	1.7
127.04057	0.5
129.01962	1.8
130.08752	10.9
131.03505	0.9
131.05003	0.6
131.09090	0.8
133.02977	9.2
134.03770	0.9
135.02995	7.0
135.04572	2.1
137.02455	100.0
138.02846	1.7
143.03511	2.4
143.05042	0.7
145.04967	0.5
159.03001	1.1
161.04572	10.5
163.04031	2.4
172.09811	8.1
173.04597	0.8
173.10216	0.7
174.99178	0.5
177.01964	2.8
179.03477	0.5
179.05615	5.1
191.05624	5.4
191.47592	0.5
191.65166	0.4
195.05083	1.6
217.00282	1.8
227.07220	5.2
245.06744	0.8
255.10492	1.0
265.08826	0.6
269.10330	7.9
271.02615	0.7
275.07727	0.5
285.06207	5.5
293.08911	2.2
294.75623	0.5
295.04773	0.8
299.01871	0.8
327.08807	2.5
383.13562	2.3
401.14642	5.3
461.07114	0.9
483.05612	0.5
505.13675	0.7
563.19940	54.2
564.20520	0.9
623.16528	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	623.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91626	0.1
55.01885	0.8
56.71149	0.2
57.03454	0.7
58.31817	0.2
59.01389	10.8
60.01725	0.7
61.01812	0.2
61.98838	100.0
62.90108	0.1
69.03460	0.4
71.01389	10.2
72.01733	0.7
72.99318	0.4
73.02946	2.5
75.00877	0.3
75.02385	0.2
76.44730	0.2
78.95886	0.3
81.03455	0.2
83.01382	1.9
84.39687	0.2
85.02956	4.9
85.23824	0.2
86.03278	0.3
87.00883	0.7
88.98801	1.3
89.02448	6.0
90.02785	0.3
93.03450	1.2
95.01383	0.9
96.95988	0.3
97.02930	0.3
99.00892	1.2
101.02443	7.7
102.02798	0.7
108.02200	0.3
109.02959	0.3
111.00862	0.3
113.02461	3.6
114.02805	0.4
116.92857	0.4
117.03485	0.3
119.03503	2.1
119.05029	1.1
121.02956	8.5
122.03294	3.2
123.03461	0.4
125.02424	0.9
129.02008	0.2
131.03484	0.4
134.03778	0.2
135.04546	2.2
136.04845	1.1
137.02448	0.9
139.06874	0.2
143.03490	0.8
145.02974	1.4
149.09662	0.2
151.00349	0.3
152.01175	0.2
153.02037	0.2
161.02477	0.2
161.04572	2.4
161.05777	0.3
162.04916	0.2
163.04022	0.9
173.04572	1.3
175.03972	0.2
179.03590	0.2
179.05606	2.0
180.05952	0.3
191.05661	1.3
191.07143	0.2
205.04984	0.3
209.11827	0.2
211.07649	1.1
221.06650	0.2
221.29298	0.2
227.03577	0.4
255.02953	1.3
271.02399	0.4
284.03329	0.7
285.03955	1.0
299.02045	0.3
300.02719	0.2
315.04977	0.3
361.64200	0.2
371.11591	0.4
399.23886	0.3
400.24405	0.4
401.15906	0.3
401.25314	2.9
533.29675	0.2
561.29291	0.3
562.29529	3.1
563.30585	12.3
622.45605	0.2
623.14374	0.8
623.25244	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41369	0.1
55.01897	0.1
57.03459	0.2
57.07608	0.1
59.01106	0.2
59.01392	3.8
61.98841	100.0
69.03499	0.1
71.01395	3.2
72.99319	0.2
73.02949	0.9
78.95909	0.2
80.59992	0.1
83.01411	0.4
85.02966	1.5
86.03312	0.1
87.00886	0.2
88.98856	0.1
89.02456	2.1
93.03482	0.2
95.01402	0.4
97.02928	0.2
99.00890	0.4
101.02456	2.8
109.02972	0.1
113.02483	1.0
116.92867	2.0
119.03513	0.8
121.02969	2.9
122.03317	1.1
123.03413	0.2
125.02483	0.2
131.03638	0.1
135.04549	0.7
136.04822	0.2
137.02460	0.1
137.05096	0.1
143.03490	0.4
152.99600	0.1
159.02972	0.1
161.04535	0.9
163.04004	0.1
173.04552	0.2
179.05602	0.4
191.05592	0.2
221.06656	0.1
284.03381	0.1
345.71844	0.1
401.25519	0.9
464.00021	0.1
563.17938	0.2
563.30768	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	623.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.9
57.03455	0.4
59.01388	9.4
59.55548	0.2
60.99324	0.2
61.98836	100.0
62.75042	0.1
64.01104	0.2
69.03448	0.2
71.01383	7.6
72.99306	0.8
73.02950	2.1
74.99168	0.1
75.00869	0.4
78.30357	0.2
78.95905	8.8
79.73428	0.2
80.02716	0.2
81.03449	0.2
82.95424	0.2
83.01397	1.2
83.05035	1.0
85.02965	4.1
86.03297	0.2
87.00873	0.4
88.98811	1.1
89.02444	3.3
93.03461	1.0
95.01405	0.4
96.96955	0.8
97.02962	0.2
99.00881	1.0
101.02443	5.5
107.05004	0.2
109.02931	0.3
111.00851	0.3
113.02454	2.7
116.92876	1.7
119.03493	1.0
121.02160	0.3
121.02962	5.8
122.03294	1.7
123.03452	0.4
125.02468	0.8
128.51457	0.2
133.02959	0.2
134.03796	0.2
135.04530	0.4
137.02438	0.3
143.03453	0.2
145.02957	0.3
148.02998	0.2
152.74117	0.2
152.99617	6.6
155.03430	0.2
159.02936	0.4
161.04602	1.6
163.04005	0.8
163.11263	0.7
164.04163	0.2
165.12827	0.5
173.04503	1.5
179.05594	0.4
191.05605	0.8
209.11880	9.8
227.12869	0.8
295.08289	0.4
327.21869	0.4
363.12292	1.7
381.13318	0.4
395.14948	0.3
401.25467	2.0
562.29358	0.4
563.30640	11.5
591.25867	3.6
607.02136	0.2
623.28528	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	623.163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87703	0.1
52.35999	0.1
55.40254	0.2
59.01386	1.3
64.88058	0.2
67.52667	0.1
71.01392	1.1
72.83105	0.2
73.02943	2.2
75.00875	0.2
77.03973	0.2
83.01380	0.2
83.48805	0.2
85.02954	1.4
87.00883	0.7
89.02469	0.7
93.03442	2.3
96.95988	0.4
101.02460	0.8
103.04021	0.7
111.04534	0.4
119.03487	0.6
121.02956	100.0
122.03294	1.1
127.03990	0.3
133.02946	0.4
134.03824	0.2
135.04515	6.1
137.02469	0.6
147.03014	0.3
147.84747	0.2
148.42961	0.2
155.03532	0.3
161.02458	0.3
173.04556	7.7
179.03516	4.4
191.04221	0.2
191.05623	8.5
269.06689	17.5
270.07016	0.2
299.07858	0.2
323.13379	0.4
353.08881	6.6
505.14365	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.5
64.55005	0.1
71.01387	19.0
73.02928	0.1
75.00876	0.4
76.64344	0.1
77.03959	0.2
85.02963	0.6
87.00877	0.4
89.02434	0.9
91.49088	0.1
93.03458	0.2
96.96014	0.1
96.99315	0.1
101.02455	0.5
111.00917	0.2
113.02480	0.4
115.00372	9.2
119.03507	0.2
121.02954	100.0
122.03299	0.9
125.34042	0.1
129.52757	0.1
130.80023	0.1
133.02954	0.2
134.06079	0.1
135.04482	0.3
161.02440	1.0
173.04573	0.2
177.04066	0.2
191.05643	1.1
195.05119	0.1
231.09520	0.1
237.04063	10.3
425.97723	0.1
441.16342	0.1
475.17139	0.4
533.18024	0.2
587.15979	0.1
623.22614	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1418
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
51.97089	0.7
54.83187	0.6
55.01891	3.6
57.03464	3.2
58.00618	0.9
59.01387	51.8
60.99309	1.0
61.98834	1.4
65.00334	1.1
65.03975	0.5
68.99543	0.6
69.03473	1.1
71.01384	43.4
72.99313	4.0
73.02944	12.1
75.00877	1.5
78.95931	2.6
83.01399	7.2
83.05054	0.6
85.02959	21.7
87.00881	3.0
88.98804	4.4
89.02440	24.9
93.03468	7.0
95.01407	3.8
96.96007	1.0
97.03010	0.8
99.00887	3.9
101.02452	31.8
107.01408	4.0
108.02203	1.4
109.02959	1.5
111.00898	2.6
111.04534	1.0
113.02463	16.4
116.92854	1.1
117.03487	2.4
119.03502	7.2
119.05029	3.0
121.02960	9.1
125.02454	0.9
127.11292	0.7
129.01955	0.7
132.02167	1.3
133.02992	1.5
134.03775	2.9
135.00838	0.8
135.04546	5.6
137.02448	3.1
143.03589	0.7
143.04968	0.6
145.03047	4.7
149.06129	0.8
151.00414	5.9
152.01207	1.2
152.81120	0.7
153.02084	0.9
155.03532	1.0
159.03014	1.4
159.04492	1.2
160.01715	4.7
161.02480	5.4
161.04559	5.8
161.05795	0.8
163.00345	2.9
163.04010	1.2
165.01961	0.9
169.06624	0.7
173.04614	6.9
175.03999	5.2
179.03487	3.2
179.05664	1.3
183.04544	2.8
185.06046	2.4
187.03973	3.1
189.05534	0.9
191.05627	3.4
193.05110	1.5
197.06183	0.7
199.04051	2.6
201.05608	1.1
201.11339	2.3
211.04091	4.4
213.05606	1.5
215.03500	1.2
225.64560	0.6
227.03545	48.9
229.05098	10.6
239.03589	1.3
241.05159	1.2
242.02209	0.8
243.03073	7.3
255.03023	86.9
256.03781	7.6
257.04568	6.8
271.02545	8.3
283.02505	3.9
284.03314	74.4
285.04092	62.9
285.07440	0.9
295.08249	1.2
298.04916	0.8
298.37372	0.7
299.02017	9.8
299.05640	5.8
300.02765	5.8
314.04459	4.4
315.05157	10.0
323.07764	6.6
337.09329	1.2
375.27670	0.7
384.52890	0.8
398.02643	0.6
401.25464	4.1
434.31943	0.6
447.09537	0.9
485.29202	0.9
533.31702	3.6
562.29791	3.9
563.30829	100.0
623.14227	64.7
623.23743	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	622.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.2
58.02985	0.8
59.01389	1.9
63.79463	0.2
71.01383	2.6
73.02950	0.2
76.53309	0.2
80.34382	0.2
84.15250	0.2
85.02979	0.4
89.02458	0.9
92.10102	0.4
93.03456	2.6
99.04523	1.1
100.04889	0.2
101.02473	0.4
113.02455	0.3
115.00376	0.4
119.05049	0.4
120.05159	0.2
128.10818	3.9
130.08751	100.0
131.09067	0.2
133.02969	0.2
135.03023	0.2
135.04555	0.2
137.02457	5.5
172.09821	71.7
191.05682	1.1
216.08801	2.5
217.00375	0.2
250.04239	0.2
299.02078	0.8
341.03635	0.2
390.09610	0.2
461.07657	0.3
519.48199	0.2
563.19958	1.1
623.18536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79222	0.5
51.07703	0.5
53.19923	0.4
58.68872	0.5
59.01386	100.0
64.35091	0.6
66.54255	0.5
69.07064	0.5
70.21984	0.5
70.33617	0.5
79.39852	0.6
80.07050	0.6
149.61436	0.5
157.73135	0.6
165.32104	0.6
188.63843	0.6
209.11874	14.0
225.75885	0.6
238.12938	0.6
277.21732	21.1
357.69357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.37677	0.5
61.87432	0.5
71.30246	0.5
96.96024	0.9
114.89730	0.5
116.01366	0.5
116.92873	0.7
119.90819	0.6
144.31819	0.6
153.36249	0.5
173.66371	0.6
209.11861	14.2
227.12834	1.0
236.43402	0.6
277.21765	20.6
413.38901	0.6
447.99707	0.7
606.35242	0.7
621.09747	2.3
622.10443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.402
Annotation	Beesioside A
Peak:m/z	Relative Intensity
54.83081	0.2
55.01899	0.4
57.03471	0.5
59.01387	8.2
61.77242	0.2
61.98842	0.9
62.28620	0.2
71.01385	5.8
71.05029	2.5
72.99317	0.3
73.02963	1.2
76.65283	0.2
78.95919	0.9
83.01415	1.0
85.02956	2.7
88.98815	0.4
89.02444	3.0
93.03474	1.0
95.01379	0.3
96.96019	1.1
97.02973	0.3
99.00887	0.4
101.02448	4.6
103.36150	0.2
109.02944	0.3
109.06598	0.4
111.04535	0.3
113.02437	1.8
116.92863	1.7
119.03508	1.1
119.05005	0.3
121.02959	20.3
124.04254	0.2
125.02435	1.9
131.03493	1.5
133.06616	2.1
134.03754	0.4
135.04535	11.4
137.02469	0.8
142.01944	0.2
143.03503	0.2
152.99619	0.2
161.02483	0.5
161.04532	1.6
163.04016	1.9
173.04582	1.2
179.03577	0.2
179.05627	1.7
191.05589	0.4
205.04958	0.2
209.11908	1.8
221.06741	0.4
223.06157	0.5
256.07706	0.2
271.09760	0.3
275.28314	0.2
275.31351	0.2
277.68661	0.2
367.10330	0.4
399.24277	0.4
427.12497	0.4
551.77466	0.2
561.29272	3.6
561.38116	5.9
589.24170	0.3
621.40222	100.0
622.40466	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	621.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18907	1.6
53.10835	1.6
55.01891	8.6
57.03461	4.0
59.01387	80.1
60.99318	2.1
61.62012	2.0
61.78212	1.7
61.98843	4.4
67.01936	2.0
69.03485	1.7
71.01386	73.9
71.01778	3.0
72.99305	3.3
73.02937	18.0
75.00849	2.5
77.06998	2.0
82.95427	2.0
83.01405	13.5
85.02963	33.8
86.60266	1.7
87.00909	9.6
88.98817	15.4
89.02448	52.5
93.02968	2.6
93.03457	19.1
95.01428	3.4
96.96010	7.6
99.00913	7.9
101.02454	55.4
109.02992	7.5
113.02474	32.5
116.92889	4.5
119.03522	18.5
119.05016	14.6
121.02963	64.8
121.86105	1.8
122.03333	11.7
123.04485	2.1
125.02464	4.1
126.90412	2.1
131.03519	2.9
133.02948	2.8
134.03767	3.8
135.04532	12.9
137.02464	9.4
143.03513	3.3
152.01198	2.8
159.03127	2.9
160.01639	3.2
161.04556	16.6
161.05983	4.0
163.04027	3.4
173.04590	27.8
175.03992	2.8
179.05634	27.0
191.05586	7.5
192.02438	1.8
193.05061	3.1
205.05212	15.7
219.03040	3.1
221.06673	4.5
263.07733	3.1
265.07114	2.9
291.54080	2.3
295.08359	2.9
325.07224	2.6
399.24045	17.6
407.92789	2.1
495.64420	2.2
532.97284	1.9
561.29169	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	621.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86466	5.0
59.01395	8.7
61.98830	8.1
65.08610	4.8
81.66640	4.9
107.05028	7.3
112.12199	5.1
116.92855	9.6
145.03011	6.2
208.80745	6.8
265.95551	5.6
280.75253	5.8
416.30807	5.5
427.87701	5.8
461.84277	6.1
561.16144	6.1
585.38098	100.0
621.37683	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75539	0.1
59.01386	0.4
61.98855	0.2
62.85930	0.1
73.02950	1.7
75.00901	0.2
99.00907	1.6
99.92589	9.4
103.71848	0.2
114.93458	0.2
116.92867	100.0
117.01939	2.3
117.92948	0.4
122.14551	0.2
123.92877	0.2
134.23018	0.2
162.91454	0.2
195.01295	0.2
356.64847	0.2
503.33972	2.5
589.60651	0.2
592.68280	0.2
621.31140	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.4
61.98819	0.2
71.11058	0.2
73.02966	1.6
73.90253	0.1
75.71288	0.2
80.54665	0.2
99.00877	1.3
99.92066	0.2
99.92589	9.6
116.92868	100.0
117.01950	2.3
117.05567	0.2
117.92883	1.1
121.02982	0.2
195.85825	0.2
503.33844	4.0
621.31329	0.8
627.77814	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68922	3.4
57.03446	4.2
59.01390	83.3
61.98844	44.9
71.01396	38.8
73.02962	10.8
83.01384	10.1
85.02969	7.6
85.07780	4.2
89.02471	26.9
94.51016	4.2
96.95993	5.7
97.02952	4.5
97.06605	8.5
101.02439	34.4
113.02409	7.7
116.92932	10.7
119.04989	4.8
121.02962	100.0
123.04526	5.4
127.72338	5.2
135.04523	5.2
155.14459	4.8
161.04587	5.0
162.89053	4.4
163.11324	6.6
168.46925	4.1
173.04643	6.2
185.11827	11.4
191.05696	7.3
191.14458	7.4
209.11935	40.6
225.11411	7.0
227.12930	6.4
245.19121	21.3
253.09340	19.3
289.18213	73.6
307.19241	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73903	0.2
58.00621	0.7
59.01394	30.9
60.68892	0.3
71.01392	13.2
71.05034	3.6
72.99321	0.7
73.02958	2.5
75.00895	0.6
77.44508	0.3
78.95920	0.3
80.58196	0.3
83.01418	1.2
83.30641	0.3
85.02962	4.3
87.00861	1.1
89.02449	21.7
91.33185	0.3
93.03461	0.5
95.01384	1.2
96.97005	0.4
99.00842	0.4
99.04543	3.5
101.02447	11.8
101.06085	0.7
107.03187	0.3
113.02457	7.4
113.06110	0.7
116.92862	0.5
117.01955	2.9
117.05584	41.3
118.97099	0.3
119.03506	8.5
119.04996	0.4
121.80137	0.3
131.03502	0.5
132.04596	0.4
143.03523	0.6
149.04584	0.5
159.06602	0.7
161.04581	1.2
173.04550	0.3
179.05614	2.0
191.05630	6.5
192.06050	1.4
193.06030	0.3
261.08771	0.5
271.63440	0.3
279.10880	100.0
280.11191	0.5
328.09280	0.4
341.10986	0.7
613.97467	0.4
621.17194	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	621.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02990	13.1
59.01402	2.0
69.03487	0.3
70.02995	8.6
70.03381	0.3
71.01392	0.6
72.00919	3.3
72.04552	2.4
72.89198	0.2
74.02484	52.8
78.63821	0.2
81.38989	0.3
85.02982	1.1
89.02483	0.5
92.10764	0.3
93.03477	0.4
95.20943	0.2
96.96063	0.4
98.02480	13.0
109.09969	0.2
116.03557	18.2
116.05065	24.3
119.05057	1.8
121.02991	1.7
130.06618	2.6
137.02451	0.5
142.06631	5.9
144.86110	0.3
157.07689	0.4
159.09285	6.2
180.89401	0.3
183.09354	1.1
186.05611	1.6
191.05632	1.5
201.10381	5.8
203.08305	64.8
204.08652	0.5
221.18089	0.3
245.09348	100.0
246.09689	1.3
289.08566	0.4
447.44891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.4
61.98837	1.3
71.01396	1.6
72.99286	0.3
73.02945	0.4
75.00880	1.4
80.58466	0.3
82.95425	1.1
85.02932	0.5
87.00882	0.4
89.02457	1.4
93.03487	0.5
101.02440	1.2
113.02534	0.3
116.92848	0.7
119.03465	0.3
121.02968	100.0
122.03356	0.3
137.02509	0.4
145.03011	0.6
146.16359	0.3
171.10313	0.7
173.04529	0.6
179.05699	0.6
191.05637	0.4
212.70259	0.3
245.25922	0.3
245.28937	0.3
367.82196	0.3
397.11429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19270	0.2
57.03477	1.6
59.01381	2.9
60.99337	0.7
62.25680	0.3
67.01897	7.3
67.02226	0.4
69.03497	1.7
71.01384	4.8
73.69090	0.3
75.00893	0.3
81.03485	1.6
83.05070	1.7
85.02953	3.8
87.00877	5.2
93.03457	44.4
94.03837	0.4
97.02964	0.3
99.00916	0.5
99.04567	0.4
101.02541	0.3
109.02995	1.5
111.00927	2.2
111.04527	8.2
113.02480	0.5
114.38699	0.3
119.05031	19.1
121.02988	1.2
127.04078	1.3
129.02013	0.4
135.03036	0.4
135.04491	0.3
137.02455	5.7
143.04947	0.3
145.02977	1.1
145.06577	0.3
155.03525	5.6
163.04025	21.8
164.04396	0.4
173.04564	100.0
191.05637	58.3
192.05983	2.2
193.06059	0.6
211.07693	1.7
228.07208	0.7
229.17014	0.3
250.06691	0.5
265.08768	0.5
289.05524	0.4
327.08838	2.5
328.09076	1.3
329.09415	0.7
337.09369	44.8
337.59598	2.0
471.65677	0.3
588.70782	0.3
621.17206	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	0.8
59.01391	22.8
61.98852	4.7
71.01380	9.8
73.02969	1.8
75.00898	0.7
78.95940	0.9
81.03481	1.2
83.01414	3.9
83.05071	1.0
85.02988	3.5
89.02469	4.7
92.10832	1.0
92.51575	0.8
93.03469	1.0
93.48047	0.8
97.02972	1.1
97.06596	1.7
101.02467	8.3
113.02493	3.3
113.19748	0.9
116.92861	1.7
119.03587	1.0
119.05027	1.4
121.02969	100.0
123.04492	1.3
123.08168	1.1
125.09728	5.1
128.52333	0.9
135.08205	0.8
135.66946	1.0
137.09740	0.9
142.02702	0.9
145.02963	1.5
163.11230	1.2
166.48709	0.9
185.11858	4.9
191.05447	0.9
191.14471	1.7
207.10226	1.4
209.11876	10.4
225.11406	1.0
227.12833	1.2
245.19148	5.9
253.09364	6.5
289.18143	21.1
307.19177	10.8
389.63852	0.8
506.41470	0.8
549.16986	0.9
621.30798	1.1
621.40631	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	619.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53986	0.9
52.84518	0.9
58.75486	1.1
59.01398	2.2
61.98846	1.7
69.03464	4.4
85.02966	2.5
95.01396	1.2
97.02944	31.1
99.00906	1.1
100.78711	1.1
109.06640	1.2
111.08179	1.4
116.92860	1.5
119.08642	2.3
121.06635	1.5
125.09765	2.0
137.09735	10.4
151.04019	8.6
151.07671	11.8
152.08467	11.7
171.10283	23.5
184.07452	4.2
185.11841	19.0
195.13907	1.9
209.15550	12.2
211.13383	1.9
221.11880	4.7
231.30112	1.2
239.12910	2.6
252.09970	2.2
265.18158	4.5
273.18604	1.5
291.19659	28.7
309.17160	19.2
309.20688	100.0
405.19293	1.3
442.12943	1.3
487.34399	9.6
619.30389	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93667	1.1
55.01890	2.2
57.03455	2.6
57.33042	1.2
59.01387	46.3
67.01899	1.6
69.03476	1.6
69.84943	1.3
71.01384	35.2
72.99312	3.2
73.02971	6.6
75.00873	12.5
77.51328	1.4
83.01408	16.4
83.05076	1.6
85.02945	15.4
87.00876	44.2
87.01376	2.0
88.98832	2.8
89.02451	15.1
93.03461	12.1
96.96006	10.5
97.02980	2.5
99.00906	7.2
100.01741	1.4
101.02425	12.3
107.05071	2.5
109.02964	41.6
111.00883	23.4
111.04496	1.6
113.02482	8.0
115.00378	40.5
117.03497	1.7
119.03553	6.0
119.05058	7.3
121.02967	21.9
121.06646	2.1
123.00888	1.6
123.04479	1.5
125.02487	1.8
128.01225	2.0
129.02007	2.8
133.02982	5.4
135.03012	5.8
135.04535	42.4
135.05505	2.6
136.01688	3.1
137.02446	2.1
137.06148	2.5
139.00401	23.5
143.05051	2.7
143.45247	1.4
145.02969	7.3
146.03745	1.3
147.04558	8.0
148.05322	6.7
149.00734	2.7
149.06099	100.0
150.03278	1.5
151.04030	5.9
153.01994	10.7
156.00641	12.0
157.01427	17.2
159.04535	9.2
161.02475	27.6
161.04669	2.0
161.06084	9.8
162.03084	1.8
163.03999	15.5
163.07588	2.3
164.04752	2.0
165.01944	18.4
165.05566	14.3
171.04532	5.9
173.04562	6.4
173.06035	2.2
174.01700	8.6
174.03244	10.4
175.02496	48.2
175.04033	31.0
177.04179	1.6
177.05579	2.3
179.03532	6.9
185.06172	2.1
187.04039	8.8
187.07663	2.1
188.04829	5.9
189.05594	29.0
191.03754	2.9
191.05614	27.9
191.07188	2.2
192.05913	1.5
193.05026	13.6
201.05602	5.8
207.06664	7.8
213.05641	10.5
215.03481	7.7
219.03061	5.9
221.04558	1.8
230.05809	2.2
231.06682	8.8
233.04590	2.7
237.04065	29.9
245.09198	1.5
249.07776	6.2
257.04724	2.1
275.05646	16.5
293.06827	1.8
313.69336	1.7
383.13406	1.9
446.83124	1.3
481.11600	1.8
503.11963	13.5
541.13599	9.4
559.15295	2.7
561.12756	2.7
561.29376	10.0
585.12830	1.8
594.32501	2.0
621.18085	11.6
621.26086	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	619.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.1
57.03457	3.8
57.38228	0.5
58.00616	0.9
59.01387	56.8
59.26583	0.5
60.74329	0.4
60.99318	3.7
64.34482	0.5
65.23973	0.4
67.00628	0.4
67.01879	0.5
68.90607	0.5
69.03483	0.6
71.01385	47.5
72.99312	2.4
73.02943	11.9
75.00884	1.2
82.95439	2.3
83.01395	7.3
84.39601	0.6
85.02956	21.7
85.03469	0.9
87.00902	3.2
88.98804	13.3
89.02444	28.9
89.96045	0.5
93.03468	3.9
95.01392	4.1
95.17310	0.5
96.96033	0.5
97.02969	0.7
99.00893	4.4
101.02444	34.7
111.00927	0.7
113.02464	20.2
119.03501	11.1
119.05021	2.2
121.02963	3.2
125.02457	1.1
135.03041	0.6
135.04524	1.1
137.02403	0.7
143.03514	1.2
145.02974	0.8
145.08736	0.5
149.02486	0.6
159.03036	2.7
161.04565	9.1
163.04105	0.7
173.04543	2.4
175.03999	0.9
179.03577	0.8
179.05618	7.8
191.05632	9.9
193.05086	0.7
221.06595	0.9
282.51474	0.5
327.08817	3.2
397.22440	9.6
542.49518	0.6
559.27722	100.0
560.27966	1.9
581.26184	0.9
613.91992	0.6
619.15826	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	619.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	22.8
76.72446	1.1
88.18491	1.1
92.10715	1.4
111.65039	1.1
113.68061	1.1
135.84140	1.0
147.04521	6.6
165.05547	1.6
201.10625	1.2
239.56630	1.1
409.34933	1.3
427.35977	5.3
453.33792	21.5
462.97684	1.2
471.34918	31.2
515.33984	5.3
575.41046	4.6
600.19574	1.4
603.36627	1.2
619.40161	100.0
620.40723	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30553	0.5
54.83167	0.6
55.01901	4.0
55.67546	0.6
57.03469	2.9
58.00599	0.7
59.01395	61.1
60.99332	4.2
71.01387	51.5
72.99332	3.9
73.02954	12.6
75.00878	2.4
82.95423	1.4
83.01394	7.2
83.05074	0.6
85.02957	24.2
87.00900	4.1
87.56233	0.6
88.98808	22.2
88.99342	0.8
89.02449	30.3
89.61966	0.6
93.03476	3.4
93.61220	0.6
95.01385	4.5
96.96005	1.0
97.02954	2.3
99.00887	4.7
101.02450	34.9
109.02943	0.9
111.00843	0.9
113.02465	21.8
119.03506	9.4
119.05032	3.0
121.02957	4.8
125.02448	1.3
131.03522	1.3
134.03850	0.6
135.04546	1.2
137.02499	1.3
143.03535	1.5
145.02972	0.8
159.03055	2.6
160.01714	0.7
161.02341	0.7
161.04590	9.2
163.04019	1.3
173.04602	2.9
175.03972	0.7
179.04167	0.9
179.05568	6.4
187.80699	0.7
191.05661	11.6
221.06804	1.0
257.41034	0.6
327.08820	1.3
353.09311	0.7
397.22363	11.6
555.06464	0.8
559.27710	100.0
560.28418	1.1
581.25934	1.5
619.16913	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82719	0.8
55.02666	0.8
59.01394	1.5
61.98835	1.4
67.99932	1.0
91.97988	0.9
96.95994	1.1
99.47620	0.9
124.67109	0.9
197.12422	1.0
255.23334	1.0
277.21805	1.9
401.14035	1.0
415.15515	2.2
416.16531	16.9
430.17993	2.1
431.18918	1.3
458.17673	1.4
459.18375	100.0
460.18860	1.2
473.20010	13.6
474.20627	4.4
503.17245	1.4
511.17267	1.5
518.12463	1.5
518.19781	35.9
532.21063	5.7
533.22034	53.1
534.22327	1.0
547.15222	1.5
583.12231	1.9
587.23077	4.9
619.09882	6.2
619.25702	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2572
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.83122	0.5
65.62043	0.4
160.95093	0.6
182.38551	0.6
213.64096	0.5
304.19302	0.6
389.15567	0.7
401.14148	3.1
415.15640	4.1
416.16507	17.0
430.18051	3.5
431.18896	2.0
437.27090	0.6
444.15808	0.6
458.17764	0.7
459.18347	100.0
460.18628	2.3
473.19800	16.1
474.20700	4.7
487.17990	0.9
499.18057	0.8
500.18207	0.6
501.19730	0.7
503.17340	2.9
506.71030	0.8
517.18823	0.9
518.19672	37.2
519.20050	0.7
532.21277	5.0
533.22064	51.4
534.22076	1.2
581.39642	0.6
587.23169	5.2
619.09601	1.6
619.25763	47.7
620.25970	2.0
643.05780	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06693	0.2
59.01397	1.0
67.01924	0.3
71.01385	17.2
73.02963	0.2
75.00891	0.5
85.02967	3.3
87.00881	1.2
93.03457	4.1
96.96019	0.2
101.02424	0.2
109.02971	0.5
111.04512	0.8
115.00381	8.4
119.05051	2.3
121.02959	100.0
122.03299	0.8
127.04011	0.5
133.03070	0.2
133.14832	0.2
135.02992	1.3
140.40773	0.2
142.87964	0.2
143.05055	1.2
160.01675	0.3
163.04033	1.6
165.60170	0.2
171.03081	0.2
173.04617	1.5
175.04015	1.0
191.05638	29.4
192.06047	0.3
211.07669	0.8
223.07545	0.3
237.04100	11.8
237.09186	0.3
265.08698	1.5
309.07718	0.4
327.08771	4.9
327.12292	0.3
337.09488	1.2
501.14233	1.0
619.16638	3.9
619.25281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93045	0.2
55.01886	0.2
57.03466	1.1
59.01388	7.0
60.99320	0.3
67.01894	3.7
69.03471	1.0
71.01383	7.4
73.02969	1.3
81.03471	0.4
82.42561	0.2
83.01402	0.4
83.05049	1.2
85.02950	1.9
87.00883	0.9
89.02459	4.5
92.10061	0.5
93.03459	24.2
95.01385	0.4
96.96005	2.7
99.00862	0.5
99.04559	0.3
101.02441	3.3
109.02958	0.5
109.36257	0.2
111.00900	1.0
111.04520	5.4
113.02442	1.9
116.92840	0.4
117.03455	0.9
119.03489	1.7
119.05026	0.3
121.02955	24.5
127.04029	0.3
129.02028	0.2
132.02202	1.2
133.02950	6.4
134.03799	0.3
135.04535	3.9
135.48650	0.2
137.02449	5.1
153.02022	0.2
155.03522	5.0
160.01674	2.0
161.02461	35.1
161.04591	1.1
161.99796	0.2
173.04567	100.0
179.03505	4.1
179.05612	1.5
191.05687	1.7
221.06671	0.3
255.02948	0.3
295.08267	18.7
323.03973	0.6
323.07779	15.1
335.07785	6.1
338.55823	0.3
341.08853	1.2
457.11655	0.9
497.13202	4.1
559.27704	3.6
619.16840	14.9
620.16663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.3
59.01385	5.3
62.41324	0.2
67.01908	0.6
71.01396	4.5
73.02949	0.3
81.03479	0.4
82.56973	0.3
83.01376	0.3
85.02959	14.2
85.03461	0.6
87.00888	2.2
89.02441	2.8
90.32362	0.2
93.03463	6.0
95.01384	0.4
95.52712	0.3
99.04549	0.4
101.02463	2.3
109.02984	1.1
111.04529	1.9
113.02486	0.6
117.03454	2.0
119.03493	1.2
121.02959	7.3
127.04005	3.1
131.30803	0.3
132.02165	2.1
133.02972	10.8
135.04543	4.4
137.02504	0.6
155.03482	0.4
160.01750	2.0
161.02466	47.5
171.03020	0.6
173.04529	2.7
179.03497	3.4
191.05649	100.0
197.87732	0.3
295.08200	0.3
324.66519	0.4
353.08893	1.5
373.37778	0.4
412.48108	0.3
427.10431	22.0
445.11545	1.4
494.63452	0.3
525.52570	0.3
559.27814	3.6
619.16840	22.7
620.17639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03899	0.4
56.12511	0.4
57.03471	0.4
59.01401	3.0
60.99326	0.6
61.96159	0.4
66.80064	0.4
67.01907	3.1
69.03510	0.5
71.01389	3.3
73.02963	0.4
75.00873	6.0
78.19778	0.4
81.03497	0.6
81.82010	0.5
83.05049	0.9
85.02953	11.0
87.00885	4.6
89.02434	0.8
92.10036	0.7
93.03456	27.2
96.96022	0.5
96.99355	0.8
99.04520	1.0
109.03032	1.2
109.59872	0.5
111.04527	5.1
113.02483	0.5
116.43633	0.4
117.01921	0.4
119.05024	28.9
121.02943	1.7
127.04031	2.7
130.08699	0.7
130.98335	0.4
131.05035	0.6
133.03009	1.4
135.03001	23.8
137.02467	2.4
143.05038	5.9
145.02982	2.8
145.06665	0.7
152.05116	0.4
155.03484	1.9
163.04015	19.4
171.02960	0.8
172.09860	0.7
173.04561	14.6
177.04066	0.8
191.05640	100.0
192.06035	0.5
195.04634	0.5
203.67958	0.4
211.07750	2.9
213.41676	0.4
221.09801	0.9
223.07701	1.7
230.01538	0.4
230.47980	0.4
235.07663	1.6
237.09270	6.0
239.10776	2.3
265.08716	8.0
275.31064	0.5
275.36588	0.4
277.12225	0.5
281.06537	0.8
283.09784	7.4
297.06296	0.7
309.07687	2.4
327.08786	45.2
328.09079	0.7
337.09268	2.3
401.11063	0.5
439.58383	0.4
445.11322	5.5
501.14166	10.9
575.16400	0.7
619.16772	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	619.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70865	0.3
59.01387	7.3
60.99309	0.4
64.34899	0.3
64.77484	0.3
67.01900	2.6
69.03458	0.4
71.01380	5.9
73.02977	0.5
75.00876	0.4
76.58102	0.4
81.03472	0.4
83.01392	0.5
83.05035	0.4
85.02949	2.4
87.00900	0.4
88.98814	2.1
89.02435	3.4
90.36420	0.3
93.03458	25.6
96.96018	0.4
99.00900	0.3
101.02461	2.0
108.02171	0.4
109.02987	0.6
111.00902	0.6
111.04539	5.4
113.02437	2.2
114.07929	0.3
117.03519	0.6
117.10800	0.3
119.03514	1.6
119.04990	0.4
120.20445	0.3
121.02960	22.9
123.04551	0.4
127.03976	0.4
132.02229	0.7
133.02969	6.2
134.03741	0.7
135.04527	17.7
137.02455	7.6
146.32188	0.3
153.02080	0.3
155.03522	5.5
160.01663	2.1
161.02466	32.2
162.02742	0.6
168.08362	0.3
168.71762	0.3
173.04565	100.0
173.52133	0.3
179.03519	13.9
179.05659	0.6
191.05659	4.2
295.08301	25.4
323.07794	18.8
335.07819	3.6
341.08914	3.1
427.16855	0.3
445.11478	3.4
456.12778	0.4
457.11725	0.7
497.13208	2.4
559.27704	2.8
569.71796	0.3
619.16779	13.4
619.26862	0.6
643.28894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82669	0.2
55.01894	0.2
56.71683	0.2
57.03452	0.2
59.01385	2.7
59.01617	0.2
65.91190	0.2
67.01906	1.0
69.03474	0.3
71.01379	2.1
73.02971	0.8
75.00867	0.2
78.40461	0.2
79.09241	0.2
81.03483	0.3
83.05032	0.3
85.02950	12.9
87.00866	3.3
87.01293	0.2
89.02453	0.4
93.03452	10.4
96.96014	1.3
97.18562	0.2
99.04532	0.4
101.02470	0.9
108.02174	0.9
109.02958	1.2
111.04521	1.9
113.02461	0.4
117.03449	1.4
119.05015	2.0
121.02950	9.7
123.04519	0.2
125.02413	0.2
127.04015	3.7
132.02202	1.3
133.02953	11.3
134.03735	0.3
135.04524	7.0
137.02448	3.8
145.03024	0.3
152.01170	0.4
155.03477	1.3
160.01677	2.7
161.02451	45.4
163.03989	0.9
171.02948	0.9
173.04562	7.9
175.04010	0.7
179.03535	5.9
191.05635	100.0
192.05971	0.4
295.08319	1.9
319.76511	0.2
323.07645	0.3
327.08832	0.4
335.07828	4.4
353.08780	1.1
395.09982	0.2
427.10394	27.9
445.11459	1.1
455.37082	0.2
497.13098	1.1
501.13950	0.9
559.27820	0.3
619.16705	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	619.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25086	0.4
59.01398	2.9
60.99324	0.5
65.74622	0.4
67.01921	1.9
69.35703	0.4
69.77022	0.4
71.01408	2.6
72.99368	0.6
74.50629	0.4
75.00884	11.4
83.05068	0.5
85.02962	12.3
87.00890	6.7
89.02479	2.3
93.03467	28.7
96.99302	3.2
99.04493	0.6
106.54996	0.5
109.02993	2.3
111.04512	3.7
115.00356	0.8
116.00307	0.4
116.87590	0.4
117.03481	1.1
119.02832	0.4
119.05033	24.4
120.05406	0.5
121.02975	1.0
121.64583	0.5
123.04554	0.7
127.04020	2.6
129.01935	0.5
130.04231	0.5
131.05038	4.5
132.05856	0.6
133.02975	2.6
135.03009	26.0
137.02505	0.7
143.05029	15.1
145.02959	3.3
145.06641	1.1
147.04616	0.5
155.03557	1.0
156.41339	0.5
159.26270	0.5
160.01707	0.5
163.04019	15.4
167.51941	0.4
171.03166	0.5
171.04622	2.0
173.04582	10.3
183.53322	0.5
191.05638	100.0
211.07672	8.6
219.08182	0.7
221.09798	0.8
223.07677	0.9
223.18384	0.6
235.07518	3.2
237.09276	7.2
239.10835	0.9
265.08710	18.6
283.09818	3.1
309.07758	6.3
327.08789	76.7
328.09122	1.1
445.11588	5.3
470.66296	0.5
501.14026	14.3
552.36493	0.5
619.16760	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47174	0.3
53.99965	0.3
55.01889	0.3
55.65994	0.3
56.25211	0.3
57.03456	0.8
59.01387	9.5
59.01689	0.4
61.98856	0.6
62.43762	0.3
62.76353	0.3
63.91056	0.3
67.01880	2.4
69.03487	0.5
71.01391	6.9
73.02968	2.0
75.00885	1.2
79.95797	0.3
81.03467	0.7
83.01385	0.4
83.05059	0.7
85.02956	5.6
87.00896	1.9
88.98794	0.4
89.02452	3.1
93.03455	19.1
96.96019	3.4
99.00873	0.7
99.04555	0.5
101.02425	3.7
102.92576	0.4
103.09026	0.3
107.05037	2.3
108.02169	0.4
109.02962	1.8
111.00888	1.2
111.04527	4.7
113.02487	2.2
117.03472	1.4
119.03538	1.3
119.05013	5.2
121.02955	40.6
125.02363	0.5
127.04015	1.5
127.29871	0.3
132.02179	0.5
133.02954	5.2
134.03786	3.1
135.04532	100.0
137.02448	4.0
147.04547	0.4
149.06113	0.5
151.00429	0.7
151.03978	0.5
152.01187	0.6
153.01949	0.4
155.03531	4.3
160.01671	1.8
161.02458	21.4
161.04489	0.6
163.04024	2.7
173.04565	34.5
175.04091	0.4
177.04065	0.4
179.03514	51.2
191.05630	19.8
192.06041	0.4
206.65627	0.3
207.28810	0.3
213.09306	0.4
221.06528	0.5
227.03543	1.3
255.03128	3.0
257.08386	0.4
271.02475	2.2
272.03094	0.4
284.03281	1.8
285.03995	2.6
295.08301	5.2
300.02725	1.9
301.03482	1.5
307.08057	0.4
323.07715	6.6
327.08740	2.6
335.07794	6.0
341.08804	0.4
353.08719	2.2
427.10391	0.7
445.11481	21.9
463.09073	0.3
497.13074	5.6
501.13998	0.7
559.27655	5.8
601.12616	0.8
611.78088	0.5
619.16718	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	619.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	0.4
59.01407	2.4
61.83379	0.3
67.01917	0.8
71.01385	4.4
75.00903	2.3
80.88255	0.4
81.03451	0.7
83.05048	0.9
85.02961	11.3
87.00869	4.3
88.03759	0.4
88.04347	0.4
89.02474	0.6
92.10860	0.5
93.03461	22.1
96.80178	0.5
96.96014	0.4
96.99328	1.7
105.52151	0.4
106.74329	0.4
109.02982	1.7
111.00932	0.8
111.04567	2.0
113.02507	0.5
115.00421	1.6
117.03477	0.6
119.05039	11.6
121.02969	7.6
123.04510	0.6
125.02419	0.6
127.04029	3.5
129.01944	0.5
131.05057	2.1
133.02988	2.4
135.02992	6.5
135.04521	0.5
143.05057	8.4
145.02986	2.0
155.03523	1.0
156.71603	0.4
163.04027	7.5
171.03065	0.8
171.04436	0.7
173.04567	7.0
177.04105	0.6
177.05566	0.4
191.05647	100.0
192.06116	0.7
211.07683	5.7
223.07642	1.6
235.07623	2.0
237.09273	4.4
265.08752	11.4
283.09769	0.8
309.07782	5.3
327.08801	37.7
328.09024	1.5
337.09311	4.4
445.11526	3.5
501.14117	8.6
601.17627	0.5
619.16797	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	619.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44794	0.3
54.82809	0.2
59.01378	2.4
59.89568	0.3
60.99329	0.4
67.01908	1.1
69.03449	0.6
70.23041	0.3
71.01384	2.8
73.02956	0.3
75.00864	2.3
76.75070	0.3
81.03462	0.3
82.60250	0.3
83.05054	0.3
85.02957	12.3
85.03458	0.5
87.00887	3.5
88.98819	0.3
89.02446	0.4
93.03457	18.5
96.99329	1.5
99.00908	0.4
99.04533	0.5
99.45051	0.3
101.06053	2.1
109.02966	0.7
111.04537	2.3
115.00372	0.7
117.03506	0.3
119.05022	10.6
119.05802	0.5
121.02954	13.4
123.04550	0.5
127.04019	3.6
130.04269	0.4
131.05026	2.4
133.02950	1.5
135.03017	5.3
137.02417	0.5
143.05048	6.7
145.02956	1.6
147.02968	0.6
155.03496	1.2
163.04013	5.5
171.03069	0.7
171.04472	1.0
173.04562	6.3
191.05640	100.0
192.06013	0.6
211.07674	3.8
221.09882	0.5
223.07643	0.7
235.07600	1.1
237.09282	3.0
239.10712	0.3
242.99736	0.4
265.08698	8.3
269.06595	2.1
283.09723	1.9
286.92230	0.3
309.07611	2.2
327.08795	33.5
328.09381	0.4
337.09268	0.5
444.88742	0.4
445.11459	4.0
467.99512	0.3
501.14124	4.7
619.16797	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	617.3856
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
55.55182	0.8
59.01380	1.9
87.67352	1.2
87.76998	0.9
105.17110	1.2
117.03467	24.2
119.05038	13.4
121.02972	1.2
145.02969	100.0
166.93703	1.0
386.24612	0.9
431.02240	1.1
444.64276	1.1
617.38623	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.6
59.01384	19.1
60.99318	5.8
61.98838	20.1
63.73851	1.1
67.01902	12.6
68.99595	1.9
69.03467	3.5
70.34459	1.4
71.01387	13.2
73.02932	2.7
78.95901	1.9
81.03473	2.2
83.01409	1.6
83.05050	2.9
85.02958	6.5
85.35152	1.2
87.00864	17.1
88.98775	1.6
89.02448	8.2
92.65724	1.6
93.03453	100.0
96.96013	3.5
97.02933	2.0
99.00913	1.7
101.02447	6.0
102.64764	1.5
104.77016	1.5
107.05038	1.5
111.04526	19.4
112.98640	1.6
113.02450	3.4
119.03470	2.1
119.05070	2.3
121.02953	63.2
129.01945	2.4
133.02966	16.3
134.03749	6.4
135.04530	72.4
137.02454	33.0
145.02950	1.7
155.03514	8.1
161.02466	50.6
161.04501	2.9
167.41219	1.4
173.04564	77.5
179.03503	34.3
191.05667	10.6
260.14252	1.5
277.07159	3.0
295.08279	92.1
335.07816	2.4
439.10376	2.0
457.11536	65.4
497.10526	1.8
559.27753	12.9
584.98364	1.9
619.14612	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57466	0.2
59.16231	0.2
73.89884	0.2
106.12014	0.2
107.55716	0.3
117.03464	22.9
119.05025	7.2
121.02962	1.8
123.04485	0.2
127.28038	0.2
134.03830	0.2
136.93468	0.2
145.02965	100.0
146.03346	0.4
147.04605	0.3
162.03265	1.0
163.04002	1.2
170.42114	0.3
205.65968	0.3
217.77127	0.2
261.89185	0.3
364.03647	0.2
405.40225	0.3
453.33908	1.3
497.32922	1.0
617.38574	78.5
618.38562	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	617.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65044	0.5
53.93378	0.6
59.01406	0.8
61.80243	0.5
64.35731	0.6
76.57113	0.5
77.70652	0.7
78.95915	2.9
85.44614	0.6
88.98797	0.9
117.03471	28.4
119.05030	13.0
121.02937	2.5
133.02968	0.7
139.32655	0.7
145.02971	100.0
146.03255	0.7
152.99602	3.6
163.04041	0.8
209.11974	0.9
381.13171	0.9
453.33936	1.0
488.10107	0.8
497.33041	1.0
617.38605	74.8
618.39264	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49046	0.2
59.01402	0.4
61.11666	0.2
61.98851	1.0
87.45329	0.2
87.63608	0.2
92.17772	0.2
117.03468	28.3
118.04360	0.2
119.05025	12.2
119.89053	0.2
120.05344	0.2
121.02949	2.5
123.04526	0.5
133.02965	0.4
145.02966	100.0
146.03319	0.8
151.19160	0.2
152.16769	0.2
162.03279	1.0
163.04030	0.4
186.72421	0.2
423.29193	0.3
453.33649	0.4
497.32617	0.8
617.38586	66.4
618.38776	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	617.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17521	0.2
59.01370	0.3
87.39845	0.3
90.63268	0.3
99.09765	0.3
117.03471	24.5
119.05048	5.5
121.02962	1.7
145.02969	100.0
146.03358	0.6
154.61499	0.3
162.03262	0.6
163.04030	0.7
165.00757	0.3
453.33823	1.8
497.32712	0.6
614.30817	0.3
617.38617	71.5
618.29108	0.3
618.38696	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	617.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53723	0.2
53.64771	0.2
54.82527	0.2
59.01387	0.4
63.34121	0.2
68.80076	0.2
71.80006	0.2
85.51526	0.3
87.71703	0.2
87.97182	0.2
89.43124	0.2
91.43189	0.2
91.97143	0.2
107.72767	0.2
112.25046	0.2
117.03480	25.6
119.05050	7.1
121.02975	1.3
123.04482	0.4
124.60572	0.2
145.02979	100.0
146.03297	0.6
152.99582	0.4
160.84254	2.0
162.03236	0.5
162.83923	2.6
163.04016	1.8
261.82489	0.3
287.54346	0.3
351.85559	0.3
395.84338	0.3
453.33667	1.1
469.33197	0.4
497.32855	0.5
500.07599	0.3
573.39539	2.5
617.38617	72.4
618.38733	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	617.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62074	0.2
59.01375	0.3
61.98857	0.3
72.94454	0.2
78.91093	0.2
81.57988	0.2
84.29622	0.2
96.99940	0.3
103.66602	0.2
105.66584	0.2
117.03466	26.7
119.05033	6.1
119.77335	0.2
121.02949	1.3
123.04521	0.5
145.02963	98.6
146.03291	0.5
157.84254	0.3
162.03195	0.5
163.04056	1.4
163.42889	0.3
183.98232	0.3
219.45441	0.3
286.56525	0.3
351.15903	0.3
423.28778	0.3
453.33905	2.8
465.09955	0.3
469.33478	0.5
471.35022	0.3
497.32242	0.4
606.54877	0.3
617.38586	100.0
618.39105	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20961	1.5
58.86427	1.4
59.01398	2.7
72.93798	1.5
74.93752	1.8
76.03499	1.6
96.39645	1.7
98.40896	1.7
117.03488	22.6
119.05035	11.5
121.02931	2.5
139.16982	1.6
145.02971	100.0
181.57587	1.9
202.77333	1.8
469.33322	3.4
564.38513	2.3
567.53882	2.2
573.39917	4.1
617.30682	3.4
617.38593	73.9
618.39575	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	617.283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67062	2.4
55.01865	2.2
59.01386	100.0
61.98845	21.0
64.43667	2.1
69.03478	3.1
71.01386	63.2
73.02951	12.2
83.01390	5.1
85.02951	18.1
87.00893	3.7
89.02453	64.9
93.03410	3.6
95.01390	4.7
96.96014	6.1
97.02956	4.2
99.00895	4.2
99.04538	2.5
101.02454	47.4
113.02437	24.4
119.03506	35.1
121.02965	55.8
125.02451	26.0
135.04546	4.2
137.02415	3.7
143.03545	3.5
144.73105	2.7
144.79016	2.3
153.64035	2.5
161.04527	13.4
179.05678	27.5
191.05568	4.0
203.22389	2.9
221.06676	16.2
233.15546	70.2
323.09866	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35150	2.4
59.99897	2.2
61.98839	100.0
63.01841	2.0
64.47382	2.2
66.90387	2.0
78.95934	4.5
92.10161	4.2
116.92885	2.6
144.66150	2.5
152.99570	4.3
160.84198	2.9
163.11343	4.6
170.20709	2.9
178.46696	2.3
182.59792	2.3
184.45753	3.2
272.55054	2.5
278.46625	2.8
353.76648	2.7
372.02579	2.8
455.35474	19.0
617.20502	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	617.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
55.19691	0.2
59.01387	3.3
61.98837	2.7
63.02134	0.2
69.03990	0.2
71.01397	1.6
73.02962	0.3
77.03960	0.3
78.95908	3.0
79.95745	1.1
83.01389	0.2
85.02953	0.9
87.00884	0.3
91.78685	0.2
96.96016	61.1
96.96912	4.8
97.02941	0.2
98.95594	0.3
99.00891	0.4
101.02431	1.8
111.74582	0.2
113.02464	0.3
116.92877	0.4
121.02959	100.0
125.02400	0.3
132.78160	0.2
135.04536	1.0
159.34589	0.2
171.10280	0.5
183.13870	0.8
251.82828	0.2
291.18198	1.3
370.63141	0.2
435.22668	1.2
519.33325	4.1
557.26532	1.8
617.31714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79296	1.1
57.03468	1.8
58.57979	1.4
59.01386	64.5
61.98838	100.0
65.10805	1.2
69.03477	2.2
71.01386	46.0
73.02966	9.5
76.57870	1.5
82.95431	6.7
83.01387	2.4
85.02977	10.4
87.00900	3.6
89.02448	47.7
95.01419	2.2
96.96008	7.0
97.02977	3.5
97.47162	1.4
99.00872	1.9
99.04527	26.3
101.02438	28.1
113.01807	1.7
113.02471	14.5
119.03512	23.7
121.02962	29.0
122.03291	2.0
125.02451	13.0
131.03568	3.8
135.04541	1.9
143.03545	6.2
161.04591	9.9
174.01263	1.4
179.05661	15.3
191.05701	2.0
215.07187	1.6
221.06726	11.8
233.15517	36.4
263.07703	2.6
309.97873	1.7
323.09940	40.4
399.02893	1.7
401.47379	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	617.238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09801	2.1
59.01396	12.7
61.98840	18.7
72.92739	2.4
72.99308	2.6
77.09183	2.5
78.95907	4.9
85.02956	2.7
92.10845	11.4
96.96017	100.0
96.96993	5.4
107.09336	2.6
115.92058	5.3
116.92879	4.5
121.02975	51.4
142.30956	2.4
143.10803	2.8
169.97926	3.0
171.10251	20.6
183.13919	21.2
191.05670	2.8
209.11778	3.1
221.83862	3.3
290.14825	2.8
356.43781	2.8
361.21799	3.1
469.29626	4.9
517.31311	3.4
572.84790	2.9
581.73218	3.0
617.23779	12.3
617.32080	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	615.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82718	1.3
55.43262	1.3
56.76488	1.3
57.65109	1.5
68.94755	1.5
74.85936	1.5
85.67497	1.8
90.00381	1.5
117.03493	22.8
118.76107	1.7
119.05016	12.0
142.00749	1.5
145.02972	100.0
155.65269	2.0
155.66788	1.5
163.04073	1.9
354.25217	1.6
375.96051	2.1
441.09213	1.9
571.38031	7.1
615.37006	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97599	1.0
60.30143	0.9
61.98835	100.0
65.38947	0.9
65.80800	0.9
74.56079	1.0
92.10103	2.2
99.59148	0.9
119.48357	1.1
128.57887	1.0
152.85609	0.9
160.84268	2.0
168.80959	1.0
197.11812	3.8
255.23308	6.6
256.23575	1.2
306.33304	1.0
331.81274	1.0
345.51614	1.0
553.37378	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	617.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.6
56.22084	0.6
58.02982	6.3
59.01398	4.9
70.03006	3.7
71.01383	7.9
72.00915	1.3
72.04559	1.0
74.02475	24.2
85.02960	1.6
87.00889	1.1
89.02448	1.0
92.17399	0.8
93.03457	25.7
93.04012	1.1
96.95963	0.7
96.99336	4.6
98.02480	6.1
99.00916	1.0
101.02446	1.0
107.05076	0.8
108.02201	6.5
109.02919	5.0
111.04560	0.7
115.00385	1.0
116.03548	10.9
116.05057	11.6
117.03502	1.7
119.05025	42.7
121.02965	25.2
121.03842	0.8
122.03284	0.8
127.07612	0.9
130.04195	1.0
130.06665	1.2
131.05026	6.5
133.02966	3.2
133.05067	0.9
135.04520	1.3
137.02484	6.7
142.06664	3.6
143.05038	18.4
145.02991	2.7
145.06561	1.3
147.04565	2.8
149.23502	0.7
152.01140	6.6
153.01965	3.7
159.09274	1.7
163.04025	28.0
171.04533	1.6
173.04553	1.7
186.05704	1.0
191.05618	11.9
201.10287	1.3
203.08305	35.9
211.07718	4.9
213.43448	0.9
221.09808	1.2
235.07617	1.2
237.04092	1.2
237.09296	7.6
239.10849	1.6
245.09341	54.6
265.08719	17.8
283.09830	4.4
309.07773	3.9
327.08792	100.0
328.09143	2.6
469.13467	1.5
501.14731	2.3
564.69055	0.9
617.20685	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	615.267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63881	0.5
55.01910	0.7
55.70528	0.5
59.01385	6.2
61.11480	0.5
61.98846	3.7
71.01400	3.3
73.02968	1.0
84.58325	0.6
85.02982	1.0
87.07333	0.6
92.10042	1.4
92.71680	0.6
93.03465	1.0
95.78979	0.6
96.96030	1.4
101.02431	1.5
112.99440	0.7
116.92893	0.9
121.02960	100.0
135.04517	1.4
164.27551	0.6
171.10336	1.5
200.88637	0.7
234.03056	0.6
460.93365	0.7
501.32089	5.3
503.33694	0.7
623.16425	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	615.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	6.6
61.98838	24.5
64.30193	0.7
66.16834	0.7
71.01399	4.6
73.02946	1.4
75.00905	0.9
76.16430	0.7
85.02955	1.7
87.00883	1.1
88.98808	1.6
89.02441	1.7
90.09332	0.8
93.03486	4.1
94.29315	1.1
96.96025	1.9
101.02460	1.2
107.05031	1.1
109.02989	1.8
113.02568	0.8
116.92863	3.3
117.03500	1.4
117.83484	0.8
119.05024	1.1
121.02971	7.5
123.04536	1.1
135.04527	7.0
136.01631	1.4
137.02448	17.4
145.02998	7.0
146.03348	0.8
151.04030	3.0
153.28346	0.8
155.10773	0.7
160.01689	1.2
163.04033	1.1
164.01115	3.2
165.01942	100.0
173.04492	1.2
179.03520	28.8
179.05095	1.0
180.04305	56.0
181.07271	1.0
191.05571	5.9
194.05913	5.5
195.02975	1.9
195.06656	49.8
201.11244	0.9
210.05348	12.1
225.07726	35.0
225.82352	0.9
255.02951	1.9
283.09680	0.9
284.03348	1.7
285.03989	1.8
285.11353	3.0
327.12454	3.1
328.13214	5.3
329.10217	4.4
329.13977	1.8
341.10300	5.3
344.12744	7.5
356.12509	1.2
359.15103	11.6
371.15048	8.2
415.23380	5.4
506.95874	1.2
537.21350	3.6
567.22437	31.8
615.24866	4.1
615.33020	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25359	0.7
53.42213	0.6
57.47437	0.6
58.18441	0.9
59.01392	5.2
61.20592	0.7
61.98831	4.6
65.46219	0.6
71.01393	2.9
72.00928	3.8
80.10879	0.8
82.02503	0.8
82.02990	1.4
89.02499	1.1
93.03458	23.9
100.00405	14.6
113.02385	0.8
116.05064	16.4
116.92845	1.9
117.03473	8.9
119.05028	100.0
121.02955	21.3
121.06562	0.8
128.05058	6.1
130.06638	23.2
132.05820	1.7
133.06558	0.8
134.03761	1.4
135.04546	7.7
137.02454	0.8
142.05562	1.5
142.06633	27.1
144.04529	3.6
145.02969	48.0
146.06136	19.0
147.04527	9.3
148.07666	3.2
154.06595	3.4
156.06953	1.8
156.08246	1.7
157.07726	73.7
157.58794	0.8
159.09288	23.8
161.02415	1.0
161.04829	1.7
162.05632	7.2
171.09279	1.4
172.03961	1.3
173.04539	1.5
174.05618	12.8
176.07196	11.4
181.07695	6.9
183.13930	1.1
185.07246	1.3
186.05586	12.9
188.07155	0.8
191.05611	1.8
199.08823	10.4
201.04343	0.8
211.08881	7.1
215.19398	0.9
220.06009	1.2
221.44923	0.8
229.06198	56.4
229.08493	1.9
262.12363	4.8
277.13486	9.3
287.12115	0.9
305.13019	56.7
349.12000	81.2
493.15988	1.5
579.13007	1.0
615.19922	21.4
615.33533	3.1
616.21686	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29596	0.5
72.42136	0.5
75.82325	0.6
77.71281	0.5
103.44753	0.6
116.92850	1.1
117.92708	0.6
144.90067	0.7
152.39110	0.5
255.23323	100.0
256.23697	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82713	0.6
55.49171	0.6
60.13075	0.7
62.71511	0.6
78.96666	0.7
114.24569	0.7
116.92853	4.3
141.54041	0.8
242.12488	0.7
253.03339	0.8
255.23334	100.0
256.23615	0.9
445.52649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89008	0.4
57.03456	2.9
59.01152	0.4
59.01377	3.9
61.98843	0.5
69.03452	0.7
71.01385	2.6
78.95915	3.2
81.03452	4.5
83.01392	3.7
85.02979	0.9
89.02448	2.0
93.03447	3.8
95.01387	1.0
95.05021	5.2
96.96011	6.7
97.02948	9.8
99.04531	1.0
101.02451	0.9
108.02206	2.0
109.02962	36.8
111.00919	0.5
111.04581	0.5
113.02495	0.8
119.05030	39.9
121.02955	12.8
122.03698	0.9
123.04530	25.2
125.02450	20.5
133.03001	0.7
135.03035	0.8
135.04543	3.9
137.02458	16.6
138.03214	1.0
139.04027	5.0
144.24135	0.4
145.02960	1.9
146.03775	1.9
147.04558	0.6
149.02434	7.4
149.06119	0.7
150.03223	2.6
151.04028	14.1
159.04506	3.6
160.05286	3.0
161.02478	1.2
161.04974	0.4
161.06123	5.9
162.03255	2.0
163.04028	30.5
164.01180	4.9
165.01926	6.0
165.05574	2.1
166.02670	0.6
167.03540	1.1
173.04633	0.9
173.06085	1.9
174.03142	0.6
175.04022	2.6
175.07651	2.7
177.01913	0.6
179.03528	7.0
180.04137	0.6
185.06134	0.9
187.04005	6.0
188.04855	6.3
191.05609	3.6
195.06645	1.9
199.07675	1.1
201.05637	0.5
202.06387	3.6
203.07161	16.9
205.05095	12.3
209.04559	3.6
217.05028	0.7
217.08682	0.8
221.08228	4.8
227.07205	2.7
231.03023	1.0
245.08224	18.7
247.06187	1.1
271.06256	0.9
289.07227	100.0
290.07462	1.2
325.09232	2.5
393.15662	0.9
426.26065	0.5
452.76910	0.6
531.78668	0.5
615.19397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44085	0.9
54.37671	0.8
58.44311	0.8
59.95552	0.9
73.12485	0.9
74.97215	1.0
77.58580	1.2
81.22519	0.9
95.94308	1.0
104.23285	1.0
133.51508	1.0
139.77597	1.1
183.34900	0.9
192.93872	1.0
283.26471	100.0
300.36127	1.0
336.75626	1.0
531.60199	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.5
57.03462	0.8
58.00600	1.4
59.01389	59.3
71.01387	28.2
72.99321	1.3
73.02956	1.3
75.00873	0.7
82.73765	0.6
83.01393	1.3
83.43111	0.7
85.02946	7.6
87.00863	1.0
89.02451	35.1
93.03477	3.0
95.01396	2.6
96.96031	4.1
99.00914	0.6
101.02442	22.9
109.02975	1.5
111.00924	0.6
113.02465	13.0
119.03511	14.0
119.05018	2.3
119.55296	0.7
121.02970	17.5
123.04592	0.7
125.02455	1.5
127.07636	0.9
131.03525	0.7
135.02957	1.3
135.04556	3.9
137.02455	0.8
143.03456	0.8
149.04514	0.8
151.04048	0.8
161.02423	1.0
163.03975	1.4
165.05661	0.8
173.04660	4.6
179.03493	0.9
179.05577	1.1
191.05594	5.3
236.84767	0.7
269.06775	1.2
287.05719	0.9
289.07272	3.3
295.06320	0.8
313.10818	1.2
320.23178	0.6
323.13541	100.0
353.08594	0.7
361.12857	1.1
364.88910	0.6
373.12900	0.9
383.96786	0.7
440.26620	0.7
456.85907	0.7
468.85431	0.7
484.37201	0.7
495.33752	0.6
617.86487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79319	0.6
57.03429	0.7
59.01387	7.0
60.37104	0.5
61.98845	3.3
71.01407	3.2
73.02995	0.9
78.95933	0.7
79.22828	0.7
85.02971	1.4
88.98819	0.8
89.02445	0.8
93.03460	7.5
96.96028	2.9
101.02457	1.0
107.05058	1.4
108.02187	0.7
109.02966	6.6
111.00962	0.7
119.00487	0.8
119.05070	0.7
121.02966	17.6
122.03761	13.6
123.00924	1.6
123.04560	0.9
124.01681	1.5
131.05048	0.9
132.19751	0.7
133.02965	2.5
134.03775	1.2
135.04553	4.8
136.01701	5.8
137.02449	21.9
137.03484	0.7
139.04045	0.9
145.02965	3.5
149.02461	31.5
150.03241	100.0
151.00397	7.4
151.04039	8.1
152.01143	2.7
152.04837	1.5
153.02042	0.7
159.04539	1.3
160.05403	0.6
161.02455	1.6
162.03188	1.2
163.04025	1.4
164.01212	0.9
164.04803	6.3
165.01952	32.1
165.05583	75.8
166.02736	20.8
167.03520	3.5
173.04591	1.3
175.04030	4.9
177.02000	1.0
177.05600	1.3
178.02676	0.7
179.03540	11.0
179.07097	1.6
180.04303	22.1
180.05759	1.0
181.05055	19.1
184.03735	1.0
187.03951	3.4
190.02856	0.7
190.06438	2.6
191.05652	6.6
193.04947	0.7
194.05820	0.9
195.06651	39.6
205.05078	7.4
210.05287	1.3
218.16562	0.6
220.07430	4.0
225.07707	10.4
253.18130	1.0
267.06711	0.7
286.07816	0.8
299.09341	0.8
315.08936	0.9
327.09131	0.9
329.10437	1.3
339.08652	0.9
341.10275	1.3
357.09863	1.1
359.11783	0.8
372.12137	1.1
387.10654	3.5
387.14908	10.6
402.13354	1.3
403.13510	0.7
417.15598	21.9
535.16577	4.2
565.20905	46.2
566.21515	0.9
613.23224	2.9
613.32623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82952	0.2
59.01393	10.2
60.99313	0.2
61.98844	2.3
69.14639	0.2
71.01392	1.4
72.99342	0.2
73.02962	1.0
77.26366	0.2
83.01424	0.2
85.02963	1.1
87.00898	1.4
88.98822	0.9
89.02456	0.7
89.03979	0.2
89.89929	0.1
92.89558	0.2
93.03461	0.7
96.96014	0.4
99.00870	0.4
101.02457	0.4
109.02994	0.2
113.02447	1.6
117.03476	36.1
119.05025	1.1
121.02964	2.8
122.03277	0.2
134.03751	0.2
135.04520	0.4
145.02974	100.0
146.03319	0.7
153.01962	0.2
158.03610	0.2
163.04007	1.4
165.01947	0.3
173.04590	0.4
179.05678	0.2
191.05585	1.8
195.06659	0.3
205.34145	0.2
220.30739	0.2
237.94565	0.2
305.08746	0.3
323.09949	0.7
365.10904	1.1
405.18430	0.2
407.12201	1.1
413.21835	0.3
415.23364	0.4
473.78961	0.2
509.61716	0.2
553.15753	2.1
613.17902	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.8
70.18085	0.2
71.01056	0.2
71.01401	1.5
73.02941	0.6
74.91934	0.3
83.01395	0.5
85.02951	1.0
87.00887	1.2
89.02447	0.5
93.03505	0.3
95.01424	0.3
101.02448	1.5
113.02485	1.3
117.03474	35.3
119.05009	1.6
121.02952	0.5
121.40104	0.3
121.41018	0.3
125.02410	0.3
143.03513	0.4
145.02975	100.0
146.03255	0.6
163.04076	0.6
307.08295	1.1
311.07419	0.3
323.10062	0.3
341.10919	0.3
349.09573	0.3
365.11258	0.3
383.11862	0.4
425.12744	0.4
553.15973	1.8
571.17352	1.0
613.17865	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	613.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93500	0.2
53.43401	0.2
55.02863	0.2
58.50275	0.2
59.01388	6.9
68.28070	0.3
70.78350	0.2
71.01388	1.7
73.02953	1.4
81.26878	0.3
83.01391	0.6
85.02974	0.5
87.00893	1.6
89.02460	1.0
90.55611	0.2
92.10165	0.6
101.02457	2.2
106.71426	0.3
113.02457	1.4
117.03471	34.9
119.05023	1.7
120.93170	0.2
125.02478	0.3
141.01982	0.4
145.02971	100.0
146.03323	0.4
158.83012	0.3
161.04578	0.4
161.06125	0.3
163.04024	1.5
179.05611	0.3
307.08276	3.0
341.10962	1.0
369.82391	0.3
383.12027	1.5
425.12912	1.1
435.25995	0.3
471.34256	0.3
518.31396	0.3
548.66455	0.3
571.16498	0.5
613.17883	4.0
613.30597	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42276	0.2
59.01389	7.3
61.98867	0.3
64.76276	0.2
65.78661	0.2
69.03472	0.2
70.30518	0.2
71.00151	0.2
71.01384	1.9
73.02951	1.4
75.00868	0.2
83.01411	0.8
85.02967	1.0
87.00877	1.5
89.02454	1.6
93.03469	0.4
101.02460	2.1
108.72576	0.2
109.02971	0.8
109.52562	0.2
111.00920	0.3
113.02462	2.0
116.92870	1.2
117.03474	32.5
119.03500	0.2
119.05041	2.3
121.02996	0.7
125.02438	0.2
129.01938	0.3
135.04532	0.4
140.54697	0.2
143.03510	0.3
145.02974	100.0
145.49947	0.2
146.03293	0.4
152.01122	0.2
155.10736	0.2
161.04594	0.3
163.04047	2.7
164.04799	0.2
177.05573	0.9
179.05721	0.3
181.74275	0.2
189.05624	0.7
191.05638	0.5
221.04633	0.2
256.29831	0.2
269.04636	0.2
307.08289	0.5
311.07794	0.3
341.10941	1.3
383.12070	2.0
425.13153	1.1
553.15912	0.9
571.16748	0.7
577.15851	0.3
577.28680	1.1
613.17761	4.8
613.26343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.8
62.02559	0.2
67.11498	0.1
68.16209	0.2
71.01395	1.4
72.30014	0.2
73.02956	0.9
75.00855	0.2
83.01412	0.8
85.02966	0.8
87.00887	0.8
89.02451	0.9
89.03982	0.2
91.32348	0.2
91.98737	0.2
93.03467	0.4
95.01367	0.3
99.01469	0.2
101.02489	1.6
109.02971	0.3
113.02467	1.1
117.03470	34.4
119.05025	6.2
130.68755	0.2
131.93124	0.2
135.04510	0.3
145.02971	100.0
146.03317	0.4
147.65497	0.2
152.01135	0.3
161.04747	0.2
163.04016	4.8
172.07414	0.2
177.05560	0.8
191.05632	1.1
191.07230	0.2
193.15167	0.2
217.05157	0.3
231.06564	0.2
242.17282	0.2
307.08350	2.1
341.10883	0.4
383.11868	0.4
511.14658	0.8
529.15497	1.0
553.16119	1.3
571.16711	3.7
613.17938	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	611.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78367	56.3
53.52111	63.0
54.82837	83.6
56.86679	81.4
57.35622	79.7
77.72598	86.7
82.17685	74.8
151.25085	100.0
187.97704	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.4
59.01387	9.5
60.01721	1.4
61.01799	0.5
61.98836	100.0
62.34734	0.2
63.14340	0.3
64.34668	0.3
65.35037	0.3
67.01878	0.3
71.01398	3.8
72.01731	0.6
73.02961	0.4
73.69398	0.3
74.34434	0.3
85.02946	1.6
87.00860	0.6
89.02470	3.7
90.02799	0.3
91.02890	0.5
93.03445	3.1
94.03806	0.3
101.02430	2.6
113.02444	0.7
119.03472	0.6
119.05016	1.2
121.02957	0.5
135.29837	0.3
137.02434	1.7
145.43463	0.3
145.44698	0.3
147.95964	0.3
149.46645	0.3
156.63234	0.3
161.14861	0.3
163.03955	0.6
170.75339	0.3
173.04558	2.2
185.58336	0.3
191.05634	7.6
250.06645	0.5
266.70807	0.4
327.08539	0.4
337.09402	4.9
337.59671	2.1
551.25989	2.2
552.26617	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	613.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94652	0.6
54.20689	0.5
55.01886	0.6
57.03463	0.9
58.95562	0.6
59.01388	16.2
61.98845	1.7
63.85269	0.6
67.01914	0.9
69.03450	2.2
71.01386	8.4
73.02950	2.7
75.00879	5.3
83.01394	1.6
85.02954	6.9
87.00866	2.2
88.33479	0.6
88.98818	1.3
89.02441	4.9
93.03456	5.9
95.01366	0.8
96.96030	3.8
97.02925	4.9
99.00900	0.9
101.02443	5.8
108.02197	1.7
109.02962	29.6
111.00885	8.5
113.02465	3.7
113.40987	0.7
115.05547	0.8
116.92893	0.8
117.03471	36.1
117.04270	1.4
119.03525	0.8
119.05016	8.3
121.02968	11.8
123.04522	0.8
129.01944	1.5
130.04228	0.8
133.02963	0.9
133.06612	0.9
134.03787	1.0
135.04538	36.5
137.02434	1.4
139.04030	1.5
141.01877	0.8
143.05040	11.7
145.02972	100.0
145.06656	1.6
146.03754	3.1
147.04550	3.8
148.05440	0.7
149.02460	0.7
149.06091	28.5
149.07239	1.4
151.04031	1.7
151.40398	0.7
152.01239	1.2
153.66739	0.7
158.03752	1.0
159.04498	5.7
160.05324	1.0
161.02495	3.2
161.04744	1.2
161.06097	25.3
162.03227	3.7
162.46524	0.7
163.04041	9.2
165.05634	3.4
168.00816	0.8
171.04544	17.8
173.04524	3.0
174.03275	7.4
175.04044	4.1
177.04144	2.4
177.05569	43.8
179.03561	5.9
179.05707	1.0
183.13936	0.9
187.04086	1.7
187.07785	0.7
188.04796	7.7
189.05594	98.2
190.02663	0.8
191.03760	1.6
191.05635	9.3
193.05060	0.7
201.05598	1.5
201.11298	1.0
203.03531	1.4
203.07201	1.6
207.06662	13.0
219.06638	3.3
221.04582	48.4
227.03389	0.8
229.14560	1.0
231.06645	20.1
233.04596	3.0
249.07704	3.2
251.05550	1.2
263.05618	0.7
271.06116	1.1
273.20685	1.0
311.07800	28.3
311.11136	1.4
383.11938	0.8
425.12634	0.9
435.26138	3.2
455.13412	8.1
499.12454	3.2
553.15961	1.1
577.15753	33.0
577.29102	3.2
613.18085	6.4
613.29395	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	611.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76507	1.0
56.56525	1.2
57.03450	2.1
58.00626	1.5
59.01387	100.0
60.99303	1.6
61.90950	1.0
61.98842	14.5
69.03470	1.7
71.01382	16.3
72.99306	1.1
73.02964	6.5
75.00885	1.6
83.01388	1.1
85.02969	6.9
87.00891	1.4
87.04533	1.2
88.98802	6.1
89.02484	4.9
93.03468	7.4
96.96039	4.7
97.06592	1.2
99.04501	1.8
101.02440	7.6
109.06628	1.8
113.02444	2.9
116.92873	1.8
119.03490	2.0
119.04995	1.6
121.02962	25.1
123.04539	2.1
123.08126	1.7
127.07711	1.5
134.03726	1.2
135.04552	7.2
137.02461	2.8
139.11308	34.9
149.00664	1.9
149.02472	2.3
150.03242	4.7
151.00371	4.9
153.09221	2.9
161.04681	1.4
163.04034	2.7
165.05585	4.6
165.09209	2.1
167.10861	1.4
169.12254	4.1
173.04520	2.0
179.05687	1.5
179.10822	6.4
181.12375	18.6
183.10291	52.5
189.09346	1.1
191.05708	9.5
195.06667	2.2
197.11850	4.3
199.13441	8.3
205.12421	1.9
225.11339	22.7
243.12396	55.2
257.13809	1.8
284.03351	1.9
285.04114	5.0
285.13455	25.3
286.04211	1.3
300.02841	1.6
315.14664	2.3
341.13916	2.7
345.15604	18.8
385.18607	2.4
405.17688	25.9
551.31549	1.9
553.50055	1.3
611.13629	4.8
611.30981	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65500	0.2
51.15216	0.2
54.99068	0.3
57.03453	0.5
59.01394	100.0
67.08002	0.3
67.13896	0.3
71.01392	2.6
75.00871	2.7
81.77216	0.3
82.91237	0.3
85.02944	0.6
89.02451	0.7
92.10137	1.2
92.45101	0.3
92.66006	0.3
93.03463	1.4
97.75411	0.3
101.02429	1.2
105.35761	0.3
113.02406	0.4
119.05016	0.6
121.02936	0.6
135.03012	2.1
135.04460	0.4
145.02972	0.5
152.33414	0.3
160.01657	0.5
161.04576	0.5
163.03990	0.5
165.04100	0.6
175.03922	0.7
179.05595	0.4
186.77449	0.3
190.06360	0.5
191.05627	2.1
191.07132	0.3
242.09512	0.4
257.11920	0.7
270.08945	1.6
285.11377	1.7
298.08472	0.5
299.09320	1.5
301.11053	0.5
313.10748	0.8
314.08038	1.2
324.10165	1.3
325.10983	0.4
326.08057	0.6
326.11621	0.4
329.10373	5.1
341.10345	5.4
344.12698	8.0
356.12610	3.1
359.15067	20.2
371.15048	10.6
389.16110	0.7
463.12460	0.4
550.25470	0.3
551.26892	0.6
611.16357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00621	0.6
58.67451	0.6
59.01388	31.1
65.03930	0.6
71.01380	17.8
72.99315	1.3
73.02964	2.4
75.00900	0.8
76.97021	0.6
79.17728	0.6
83.01427	1.3
85.02952	5.5
88.65933	0.6
89.02446	19.5
93.03448	1.1
95.01408	3.5
96.96037	1.4
99.00921	0.9
101.02438	10.8
102.90723	0.6
108.02184	96.0
109.02970	32.3
113.02457	8.4
117.05566	0.8
119.03498	11.0
121.02953	1.4
123.00912	1.3
123.04543	1.0
131.03461	0.7
135.04530	1.2
139.04076	0.7
149.17812	0.6
151.03972	0.9
152.01175	80.5
153.01959	26.9
154.01587	0.8
161.04668	0.8
163.04037	0.8
165.01962	1.2
179.05614	1.5
181.07234	3.7
191.05507	1.7
195.01126	0.6
261.08902	0.7
295.10394	58.1
309.12018	3.6
315.07285	100.0
316.07562	1.3
389.14731	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84485	0.9
53.25178	1.1
53.69214	1.1
55.01896	1.6
57.03455	1.3
58.00601	1.9
58.56948	1.0
59.01388	90.2
61.98829	2.1
67.70084	1.0
69.03474	5.8
71.01388	57.1
71.60838	1.0
72.99304	2.0
73.02619	1.0
73.02944	10.1
81.03432	1.6
83.01405	6.7
83.29145	1.0
85.02956	14.1
87.00896	4.7
88.98810	9.2
89.02448	60.3
93.03458	95.4
95.01390	4.7
97.02966	6.8
99.00875	2.3
101.02450	37.6
107.05035	8.0
108.02187	1.7
111.00910	1.9
113.02462	23.4
119.03509	26.1
121.02961	100.0
122.03267	2.3
125.02454	26.1
131.03505	4.4
135.04536	6.8
137.02455	76.8
143.03497	7.6
149.04610	2.2
151.04025	2.4
161.04590	7.6
179.03627	4.3
179.05627	11.3
191.05591	1.6
197.06120	14.6
199.07715	5.0
221.06708	15.5
227.07175	49.9
245.06712	2.6
255.03046	1.6
263.07761	6.2
271.02658	2.7
281.06580	1.8
300.02777	4.6
301.03229	1.6
322.99432	1.4
323.09900	44.1
429.14175	4.4
443.11957	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28555	0.2
57.03443	0.1
59.01388	2.3
61.98856	0.2
63.60875	0.2
64.48398	0.2
70.83543	0.2
71.01390	2.2
73.02950	2.9
83.01416	0.4
85.02956	0.6
87.00893	1.2
89.02429	1.2
89.06522	0.2
93.03485	0.3
96.96021	0.8
101.02457	1.2
103.04004	0.3
117.41988	0.2
118.34439	0.2
119.03516	0.8
119.05038	0.7
121.02964	100.0
122.03290	0.9
125.02425	0.2
134.03786	0.2
135.04524	3.6
147.02940	0.7
163.03967	0.4
166.62189	0.2
173.04520	0.2
179.03529	3.9
179.05023	0.3
179.05708	0.2
191.05618	0.9
194.03902	0.2
204.61955	0.2
269.06750	15.4
314.79248	0.2
341.08807	1.4
359.03058	0.2
551.26740	0.2
622.50885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38801	0.8
59.01389	13.5
60.99310	5.1
67.13124	0.7
71.01375	7.6
73.02956	1.2
75.00881	9.6
80.91656	1.0
85.02940	3.7
88.98814	24.0
89.02443	5.6
93.03450	11.8
96.41360	0.8
101.02441	4.0
107.01442	0.8
108.02191	7.2
109.02969	6.9
111.00915	1.0
113.02438	2.1
117.03457	1.2
119.05044	7.2
121.02962	5.0
122.09747	0.9
123.04493	1.2
125.02407	1.0
132.02229	1.1
133.02957	2.0
134.03719	0.9
135.03012	9.8
135.04535	1.8
145.02924	1.9
147.03108	0.9
151.00310	1.8
152.01181	6.7
153.01929	1.5
161.02420	1.6
163.00311	1.0
163.04012	1.8
165.03984	4.2
169.06577	1.0
173.04570	1.7
177.01918	5.0
177.04031	1.0
179.03455	1.8
183.04463	2.0
184.09839	1.3
189.01941	1.2
191.03752	0.9
191.05690	6.4
191.07108	1.1
195.08266	1.0
196.05315	1.0
197.06047	1.9
197.09750	1.1
198.03230	1.0
199.03983	1.2
209.06067	1.2
211.03973	4.4
211.07658	1.2
213.05589	3.1
224.04691	1.9
225.05495	4.1
226.06300	1.2
227.03557	28.9
227.07100	3.9
229.05011	3.3
239.03450	1.9
239.07111	3.1
240.04211	1.8
241.05066	1.8
253.05093	34.2
254.05876	1.1
255.00490	1.2
255.03015	27.7
255.05981	1.5
255.06761	1.7
256.03638	1.5
259.36810	1.1
265.05112	2.1
267.02991	14.0
268.03827	1.5
268.06995	1.0
269.04474	5.1
271.06018	1.7
281.04633	8.0
282.05460	8.3
283.02451	15.1
283.06058	5.5
284.03275	14.0
285.04089	8.5
295.02472	1.8
297.04102	1.9
310.04901	42.2
311.02457	1.5
311.05670	28.0
332.06888	5.9
333.07785	1.8
347.09293	43.7
361.07227	3.8
375.08517	7.2
376.09442	3.4
389.06903	15.2
389.16333	3.1
390.07278	1.2
403.08325	1.0
404.09122	30.0
405.09906	6.4
430.07098	1.2
447.09598	5.9
448.07974	1.1
449.08682	2.1
473.11011	27.8
517.10364	1.2
534.05096	0.9
567.14960	12.7
580.79822	1.1
611.14044	100.0
612.14459	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	611.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66330	60.0
51.93114	51.3
59.01394	84.7
61.98861	86.0
84.48277	70.7
116.92876	100.0
186.12572	79.3
213.64420	85.1
290.15253	85.6
376.34918	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	611.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.4
58.00614	1.0
59.01395	15.3
60.99319	4.9
63.71639	1.0
65.00354	1.1
71.01387	10.1
71.27222	0.9
75.00890	12.0
85.02943	2.4
87.00898	1.3
88.98819	27.2
89.02470	7.7
93.03472	11.9
99.00890	1.3
101.02457	5.5
108.02161	6.2
109.02935	5.1
113.02383	1.2
117.03445	2.5
119.03459	1.1
119.05009	7.3
121.02930	5.2
122.09766	1.7
123.04499	1.2
125.86047	1.0
126.79012	1.1
128.35535	1.0
132.02165	1.2
133.02954	1.8
135.03012	10.9
135.04529	1.9
136.01657	1.2
145.02962	1.9
151.00420	1.9
151.04037	1.6
152.01183	7.4
153.01924	5.1
161.02448	4.1
163.03951	1.2
165.01936	1.2
165.04039	5.7
171.20395	1.0
173.04594	1.3
177.01910	2.4
177.04105	1.8
179.03433	1.4
183.04469	1.9
185.06125	1.2
189.01944	1.9
191.05603	6.5
194.05721	1.8
195.04491	1.3
195.08060	1.4
196.05339	2.0
197.06087	1.8
198.03195	2.5
199.04041	1.6
211.03986	4.8
213.05638	2.4
224.04764	1.6
225.05547	4.5
227.03539	32.0
227.07123	5.2
228.04269	1.3
239.03436	2.2
239.07274	1.8
239.10754	1.2
241.05020	2.2
253.05096	30.5
255.03011	23.7
255.06723	2.3
256.03757	1.2
267.02997	15.3
268.03641	1.7
269.04660	3.7
271.05991	1.9
281.04584	7.0
282.05295	6.5
283.02481	15.2
283.06024	5.2
284.03323	9.5
285.04083	11.5
295.02487	1.7
310.04898	42.6
311.05655	34.8
317.08075	1.2
330.03787	1.2
332.06866	6.0
333.07520	1.8
347.09332	48.8
361.06903	4.2
375.08881	8.8
376.09518	4.2
389.06833	14.3
389.15982	2.1
391.07977	1.3
403.08084	1.1
404.09052	27.6
405.09747	7.3
447.09326	5.2
449.08588	2.2
473.10913	25.5
474.10574	1.3
521.25970	1.3
551.27197	3.8
567.15277	12.5
593.19531	1.3
611.14008	100.0
612.14355	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94148	1.7
59.01394	32.0
61.98845	18.0
69.18203	1.5
69.98419	2.2
71.01376	2.2
71.05042	3.5
73.02975	2.1
75.00890	2.1
77.14379	2.0
88.10884	2.0
92.10106	4.3
93.03462	2.7
105.01945	2.3
121.02946	3.4
146.39047	2.1
195.75508	2.1
278.63303	2.0
286.33008	2.3
312.73294	2.0
367.26208	2.6
391.26614	11.2
397.27341	8.8
407.25717	2.2
409.27554	27.4
416.16800	2.4
427.28534	23.9
433.28134	2.4
451.28683	2.8
465.30072	4.5
483.31259	3.6
501.31799	4.1
549.34448	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	609.4145
Annotation	Manadomanzamine B
Peak:m/z	Relative Intensity
50.81428	2.5
50.97477	2.5
59.01395	4.2
61.98831	4.1
67.24036	2.6
67.79167	2.6
76.84244	3.3
86.58514	2.6
95.05014	3.9
111.92194	2.9
121.10219	24.5
155.89516	2.9
171.10275	61.7
214.67488	3.1
240.27795	2.9
247.23187	4.0
271.02606	3.9
275.20142	68.6
278.11377	4.8
293.21295	52.8
315.19427	32.9
362.34396	2.9
609.41711	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	609.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87833	1.6
54.83294	1.7
59.01383	16.5
60.01529	1.7
60.04935	1.8
61.98844	3.4
71.01389	19.9
72.99327	3.4
75.00868	19.4
85.02967	22.3
87.00865	3.6
89.02484	3.8
92.10838	5.1
95.01424	3.3
99.00871	8.4
106.84632	2.0
113.02477	25.8
116.92874	2.7
138.19408	2.4
159.84245	2.0
239.74173	1.9
248.33017	2.3
249.06111	8.3
259.26578	1.9
267.07288	3.2
277.21765	51.9
289.05362	2.4
317.01773	2.1
382.04321	2.4
497.74194	2.3
527.28723	100.0
549.27155	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.2
60.99314	17.6
61.46333	0.7
61.98842	4.8
67.59153	0.7
71.07310	0.8
72.99290	1.1
78.95927	1.3
79.28986	0.8
88.00395	1.4
88.98806	100.0
89.02453	4.6
91.38836	0.9
119.96266	0.9
132.10641	0.8
152.99544	1.3
175.82678	0.8
191.05579	1.5
391.18655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34565	0.5
55.01889	3.4
57.00039	0.6
57.03457	5.0
58.00613	1.0
59.01387	63.2
60.22181	0.6
66.51375	0.7
69.03469	1.1
71.01382	62.5
72.99332	3.6
73.02948	13.8
75.00884	2.9
77.39474	0.7
81.03448	0.9
83.01405	7.5
85.02954	19.1
87.00875	6.0
89.02444	36.4
93.03457	5.4
94.36804	0.7
95.01395	4.7
96.95991	0.8
97.02964	3.6
99.00880	5.9
101.02441	40.3
101.03093	1.4
111.00890	1.0
111.04524	0.9
113.02462	23.2
115.00383	1.6
119.03506	13.3
121.02959	39.1
125.02430	5.5
131.03499	1.0
131.07027	1.0
135.03011	1.7
135.04549	1.0
138.06879	10.7
141.01892	0.7
143.03517	3.3
149.04552	1.3
153.09238	30.8
159.02969	1.6
161.04558	13.2
175.84361	0.7
179.05623	6.8
181.07141	2.9
191.05582	4.1
207.13921	4.7
211.07755	2.7
221.06714	2.8
225.14990	32.7
237.04051	1.3
237.09264	4.3
245.06514	0.9
255.02997	7.2
263.07697	0.8
283.02484	8.4
284.03207	0.9
323.09845	3.0
337.07635	0.8
371.09937	1.7
375.12277	1.3
387.20331	17.5
411.80658	0.9
422.11884	0.7
456.37778	0.7
549.25665	100.0
609.14294	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.4
57.03454	1.1
58.00605	2.5
59.01387	100.0
63.22304	0.6
67.57640	0.6
71.01386	47.7
72.99310	5.0
73.02960	3.2
75.00877	6.6
83.01402	3.4
85.02964	13.8
87.00894	4.2
89.02453	56.7
93.03477	3.2
95.01393	3.1
96.96013	7.1
97.02950	0.7
99.00898	1.0
101.02452	27.8
108.02213	0.7
109.02949	0.7
112.92722	0.7
113.02464	18.6
119.03514	21.4
119.05016	3.6
121.02963	3.5
123.04518	0.6
126.69093	0.6
131.03487	2.6
135.02991	6.1
135.04543	1.5
137.02489	0.9
137.03548	0.6
143.03494	4.3
145.02950	0.8
149.02504	1.1
149.04564	2.6
151.04044	0.6
154.10135	0.6
161.02444	1.2
161.04549	5.8
161.21204	0.6
163.04028	3.1
164.04782	0.9
167.03407	1.1
177.04041	3.3
179.05637	17.5
181.07120	3.2
191.05696	1.1
195.06664	4.0
205.05087	0.9
211.07677	13.7
223.06041	1.2
223.09660	0.6
237.09280	1.1
269.04636	0.6
289.07126	1.0
327.08401	0.8
367.66550	0.8
369.19345	1.4
387.12372	0.9
431.15536	1.2
479.21347	0.8
499.65503	0.7
507.98254	0.7
549.25659	36.2
572.86401	0.8
609.19891	6.3
615.37476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18179	0.3
54.83119	0.3
55.01901	0.7
57.03468	0.6
58.00616	0.7
59.01389	48.9
59.09404	0.4
59.16870	0.3
63.02404	0.5
64.29453	0.4
64.65311	0.4
71.01385	26.9
72.99328	1.7
73.02950	3.8
83.01376	3.1
85.02959	7.2
87.00881	0.9
89.02449	25.8
93.03471	2.0
95.01426	2.5
96.96000	0.6
99.00882	0.8
101.02446	15.3
111.89881	0.4
113.02459	11.3
117.03479	0.6
119.03501	9.8
119.04979	0.5
121.02965	13.2
125.02518	0.5
131.03551	0.9
135.03056	0.6
135.04526	2.8
143.03546	1.5
151.00386	2.2
155.04942	0.4
157.82085	0.4
159.04536	0.8
161.04544	3.3
163.04074	0.8
164.04526	0.5
169.06573	1.0
171.04515	0.4
173.04590	1.7
179.05650	6.0
181.07198	0.8
183.04553	4.1
185.06247	0.5
189.12878	2.7
191.05649	5.7
201.05640	0.4
211.04028	2.9
211.07712	6.0
213.05498	0.4
214.02710	0.6
221.06644	0.9
227.03586	8.3
255.03024	55.7
256.03564	2.4
257.04477	0.7
265.09039	0.4
269.04355	0.5
283.02527	100.0
284.03201	13.0
285.04092	66.8
285.07428	0.8
286.04465	1.7
292.70184	0.4
297.04132	0.6
299.05408	0.5
327.05176	2.3
337.09323	0.6
387.20221	2.3
427.14642	3.9
446.08603	10.5
447.09436	29.3
448.09695	0.6
487.16635	0.7
489.10565	1.7
529.11157	0.5
535.18860	0.5
541.40131	0.5
549.25659	41.6
550.26306	0.6
609.14728	26.8
610.14819	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59429	0.1
52.61769	0.1
54.10246	0.1
59.01387	5.2
61.18114	0.1
71.01385	4.2
71.30289	0.1
71.88280	0.1
72.99323	0.3
73.02943	1.3
73.50397	0.1
77.03979	0.2
83.01411	0.2
85.02969	0.8
87.00891	0.6
88.98826	0.2
89.02446	1.8
89.08553	0.2
92.10826	0.3
93.03484	0.6
95.01404	0.2
97.02968	0.2
101.02459	2.6
111.57719	0.2
113.02444	1.6
113.43527	0.2
119.03517	1.0
121.02959	100.0
122.03307	0.4
125.02452	0.5
132.69930	0.1
133.13666	0.1
135.04535	14.2
143.03545	0.2
146.95894	0.2
147.02994	0.2
147.04478	0.1
161.04570	0.9
163.04036	1.9
173.04672	0.2
176.44974	0.1
193.05060	0.2
205.05209	0.2
211.06056	0.3
211.45448	0.1
223.06114	0.8
227.23906	0.1
231.66246	0.1
245.06645	0.3
245.99820	0.1
283.08255	1.0
300.02432	0.2
325.09427	1.0
427.16144	0.6
451.50580	0.2
516.33801	0.2
549.20123	1.2
549.29114	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	609.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51241	0.5
55.01887	1.1
57.03457	2.1
58.00608	2.8
59.01389	100.0
59.38251	0.4
63.54888	0.4
64.34195	0.6
71.01385	46.3
72.59346	0.4
72.99327	3.6
73.02953	3.1
75.00880	3.1
80.78629	0.5
83.01397	4.1
85.02961	13.3
87.00864	4.3
87.92686	0.5
89.02446	56.6
90.95339	0.6
92.97047	0.5
93.03458	1.1
95.01388	3.4
96.96023	6.2
99.00841	1.5
101.02447	27.4
109.02963	2.6
113.02464	21.6
114.25270	0.5
119.03514	21.9
119.04897	1.3
121.02973	4.8
123.04559	1.2
125.02441	1.2
129.01923	0.7
131.03532	2.0
131.87091	0.5
133.02971	0.9
135.02997	3.4
135.04538	2.4
137.02440	1.0
139.04005	0.7
143.03529	3.0
145.02878	0.8
149.02386	0.6
149.04636	1.6
161.02458	2.1
161.04594	6.5
163.04002	2.5
173.04608	1.0
177.04056	3.0
179.05632	16.8
181.07167	0.6
191.05663	3.0
191.61659	0.5
195.06619	2.7
203.07135	0.8
211.07689	10.3
223.06300	0.8
237.09265	0.7
245.40536	0.6
265.08600	0.5
289.07278	2.1
338.78894	0.5
369.19110	1.1
479.21585	0.7
487.16864	0.8
549.25708	45.0
609.20264	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49216	1.1
55.01892	2.6
57.03460	6.4
58.00599	1.7
58.51558	1.1
59.01387	100.0
71.01381	73.3
72.99313	3.0
73.02950	9.0
75.00883	7.5
83.01409	6.8
85.02950	23.3
86.28343	1.3
87.00882	8.8
87.82469	1.2
88.98834	2.5
89.02444	64.7
93.03463	28.7
95.01408	2.4
96.96037	9.9
97.02929	2.5
99.00878	2.9
100.94553	1.2
101.02443	43.9
105.03439	1.8
109.02993	2.1
113.02451	27.5
119.03508	23.6
119.04997	12.0
121.02953	95.5
125.02487	2.4
129.01939	2.2
131.03537	2.3
131.39534	1.3
133.02959	7.2
135.02986	20.3
135.04536	25.3
137.02444	44.4
143.03494	2.7
145.02965	2.1
151.00348	1.9
155.07185	1.5
161.02420	2.5
161.04532	10.0
163.04044	17.3
163.06107	7.0
173.04619	5.6
179.03432	1.6
179.05638	18.2
181.07187	7.9
183.04520	2.2
191.05602	16.4
211.04123	2.2
211.07628	19.4
227.03482	13.0
237.09293	5.3
255.03017	57.5
283.02515	93.0
284.03223	24.3
285.04099	42.8
307.10464	1.6
311.07852	6.4
325.11423	8.2
327.08813	5.4
343.12531	1.7
372.16061	1.4
375.12167	1.9
387.20468	2.7
427.14801	11.3
446.08478	10.2
447.09448	41.2
447.15445	1.4
451.07141	1.4
487.16751	55.7
491.15475	3.2
549.18121	2.6
549.25720	34.5
609.14264	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	609.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34041	0.3
57.03457	0.5
59.01389	17.9
61.98831	2.7
62.52247	0.3
63.02414	2.4
65.00330	11.1
67.81490	0.3
71.01377	3.0
73.02958	0.7
75.16106	0.4
78.95947	0.5
82.55472	0.4
83.01393	7.8
85.02968	1.8
87.00886	2.4
88.98795	0.5
93.03461	8.9
97.02953	0.4
101.02442	2.1
107.01396	21.9
108.02144	0.6
109.02975	0.6
113.02474	1.4
116.92873	1.5
117.03465	2.3
119.05032	53.3
120.05329	0.5
121.02961	93.5
123.04529	0.5
125.02467	4.7
131.01385	0.9
132.02185	0.6
133.02954	1.8
134.03716	3.0
135.04504	1.4
137.02487	1.9
141.01714	1.6
143.05074	0.8
145.02986	4.9
147.04564	0.6
149.02470	0.6
151.00389	70.5
160.01683	5.4
161.02448	1.6
161.06059	0.9
163.04076	0.5
165.01927	3.9
169.01431	2.8
173.04596	0.7
175.00403	3.5
175.04025	6.3
177.01909	5.3
179.03610	0.5
185.06093	2.2
187.04044	4.8
189.01909	0.6
191.05641	5.1
191.07169	0.7
193.01472	2.5
193.05157	2.2
227.07175	2.8
229.05168	0.7
235.06058	0.6
271.06161	100.0
272.06503	0.9
285.07596	0.7
295.06201	2.6
300.02557	0.4
305.08868	5.5
313.07202	2.0
337.09375	9.5
367.87000	0.5
368.83920	0.4
419.38412	0.4
427.12509	1.7
465.30038	2.0
471.31021	0.6
483.30566	0.8
501.32211	0.6
517.31500	0.7
518.32019	2.6
519.32404	2.2
549.34515	8.7
563.30774	0.7
604.63275	0.4
609.16284	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.8
59.01385	8.4
60.99304	0.4
61.98840	2.8
65.00340	0.5
66.91982	0.4
69.03474	0.7
71.01383	4.6
72.99291	0.5
73.02966	0.6
75.00871	3.4
83.01398	0.8
85.02965	4.3
87.00891	2.4
88.98811	2.4
89.02456	2.6
89.96680	0.5
92.10131	0.9
93.03461	0.9
94.51547	0.4
96.96019	0.8
97.02966	0.9
99.00901	1.0
101.02460	2.2
107.01451	0.7
109.02984	0.7
113.02461	2.2
115.04131	0.4
116.92857	0.6
119.05041	2.0
121.02959	100.0
125.02477	0.6
129.01962	0.8
134.03740	0.6
135.02991	0.5
135.04536	5.7
137.02422	0.6
151.00372	2.5
151.27496	0.4
152.01169	0.4
160.01691	1.0
161.02428	0.6
163.00438	0.8
163.04041	2.0
173.04561	0.9
175.03987	1.0
177.04068	6.4
178.99854	0.8
179.03604	0.5
188.14099	0.4
191.05603	2.5
218.97942	0.4
220.06065	0.5
227.03590	0.9
255.03038	2.1
265.21692	2.1
269.04578	0.5
271.02585	6.3
283.22818	9.7
285.04181	0.6
294.21762	0.5
299.22302	3.0
300.02792	7.4
301.03610	2.6
313.03427	0.9
327.21805	1.9
341.02838	0.6
345.22830	7.0
387.23746	0.9
427.12659	0.7
447.07156	4.2
463.08954	1.0
505.26724	1.9
547.27881	1.9
565.28760	13.1
609.12836	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	609.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.7
59.23683	0.1
61.98830	0.2
62.78941	0.1
69.03460	0.2
71.01383	2.4
73.02953	1.3
82.90821	0.1
83.01417	0.6
85.02946	0.6
87.00894	0.3
89.02460	0.6
92.10167	0.3
93.03462	0.6
93.54561	0.2
95.01434	0.2
97.02958	0.6
101.02460	2.2
113.02461	1.1
119.03537	0.2
121.02960	100.0
122.03306	0.3
125.02441	2.8
129.01904	0.2
135.04533	17.8
139.03986	0.2
143.03477	0.3
159.04517	0.2
161.04590	0.6
163.04008	2.6
193.05070	0.2
223.06168	1.6
283.08368	0.6
325.09366	1.1
331.81427	0.2
367.10403	1.2
427.12421	2.4
549.16473	0.2
563.30286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22436	0.4
51.53180	0.4
55.01894	0.7
56.01289	0.4
56.84945	0.4
57.03466	0.6
59.01392	12.3
61.98858	1.1
65.00340	0.9
69.03460	0.9
71.01390	11.0
73.02953	4.7
75.00889	2.0
78.95917	3.4
81.03474	0.6
83.01409	1.9
85.02972	4.8
87.00863	1.0
88.98827	0.7
89.02452	3.4
93.03460	2.0
96.96024	0.7
97.02979	1.3
99.00872	0.6
101.02452	11.2
107.01412	1.9
108.02200	1.9
109.02952	0.7
111.04564	0.5
113.02456	4.4
116.92853	0.6
117.03497	0.7
119.03529	1.2
119.05019	2.8
121.02959	100.0
125.02459	9.7
135.04533	52.4
139.04001	1.0
143.03502	0.5
145.02962	0.6
147.04591	0.9
151.00397	6.6
152.99586	2.2
161.04572	3.5
163.04027	9.8
173.04503	0.8
175.03905	1.2
178.99849	2.3
191.05627	2.3
193.05043	0.8
197.09781	0.7
201.11288	1.0
209.11835	3.3
223.06131	3.7
226.02565	0.7
227.03497	0.7
243.02927	4.5
254.02144	0.7
255.03003	14.1
271.02509	25.5
272.03146	0.9
283.08203	3.0
285.03943	0.8
300.02802	41.4
301.03607	9.9
325.09567	0.7
326.50174	0.5
341.03122	4.0
387.11755	0.6
409.11224	0.5
463.08884	14.1
549.28064	1.5
549.33929	0.9
609.12701	13.9
609.27808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20046	0.3
51.76899	0.2
55.01899	0.2
57.03480	0.2
58.00599	0.3
59.01112	0.4
59.01391	8.8
63.02407	0.5
65.00340	1.3
69.03471	0.5
71.01382	6.6
72.99300	0.3
73.02954	6.0
74.53820	0.3
77.04012	0.3
78.95908	0.3
83.01396	1.3
85.02972	1.7
87.00893	0.5
89.02462	1.7
92.10042	0.6
93.03481	1.2
95.01391	0.5
96.95992	0.3
97.02959	1.6
99.00867	0.3
101.02446	11.7
104.59695	0.3
107.01398	3.2
108.02190	1.3
109.02988	1.0
109.82774	0.3
113.02457	2.9
115.04047	0.4
116.92883	0.5
117.03448	0.3
119.03508	1.3
119.05006	1.3
121.02962	100.0
122.03341	0.6
125.02457	7.8
135.04539	46.7
136.04877	0.3
139.04002	0.3
143.03500	0.5
145.03020	2.0
147.04517	0.5
148.01660	1.1
149.02422	0.4
150.50464	0.3
151.00395	8.5
152.01102	0.3
152.99550	0.3
153.01959	0.3
161.04576	2.3
163.00389	1.9
163.04013	8.5
164.01158	0.4
167.03542	0.3
167.83064	0.2
169.01465	0.4
174.42238	0.2
175.03935	0.4
178.99866	3.4
182.02228	1.2
183.04486	0.3
187.04138	0.3
187.37967	0.3
189.05643	0.4
191.05731	0.4
193.05099	1.1
197.04559	1.2
197.09741	0.4
199.04025	0.6
211.04118	0.5
211.06070	0.5
215.03615	0.4
216.04257	0.4
217.05089	0.4
223.06161	3.7
223.53247	0.3
224.21976	0.3
226.02693	1.1
227.03528	3.0
229.01375	0.3
229.05206	0.3
243.03009	9.5
245.04509	1.0
254.02251	1.5
255.03043	18.8
271.02536	40.5
272.03101	2.6
273.03824	0.4
283.02603	0.4
283.08273	2.2
285.04126	0.4
299.02020	1.2
300.02814	52.8
301.03583	16.7
301.07159	0.3
313.03503	0.6
325.09308	0.5
341.03030	2.4
409.11081	0.4
456.06964	0.3
463.08917	19.0
464.08948	0.5
549.33087	0.4
609.12677	17.3
609.27405	0.5
610.12915	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	20.4
62.53989	0.7
71.01385	16.8
72.99322	4.4
73.02956	1.7
75.00872	32.3
83.28927	0.7
85.02969	4.6
87.00878	1.6
89.02444	14.8
93.03459	40.7
95.01425	1.0
99.00922	0.9
101.02441	5.4
107.05070	0.9
113.02468	3.3
115.00386	2.8
117.01916	2.5
117.03440	1.0
119.03551	3.6
119.05032	100.0
121.02961	26.2
121.03849	0.8
131.05037	1.3
132.05783	1.1
133.02937	3.6
133.06567	0.7
134.23653	0.8
135.03012	96.6
137.02504	1.2
143.05080	3.9
145.02974	1.7
145.06604	1.7
151.04063	1.2
152.00941	0.8
161.04561	1.5
163.04027	76.2
179.05653	1.6
191.04103	0.8
191.05630	6.7
196.35289	0.7
209.06232	1.0
211.07742	4.6
221.06128	0.9
221.09717	0.7
223.07883	1.0
225.09291	1.0
235.07712	1.2
236.08449	1.7
237.04062	1.4
237.09261	36.3
239.10832	4.1
265.08673	4.3
265.12308	7.1
270.43365	0.8
281.06662	12.3
283.09769	7.9
327.08807	62.8
331.13446	19.0
343.13525	0.9
375.12469	28.2
473.12274	7.3
491.13361	1.4
549.25928	5.2
565.21918	1.5
609.15918	1.4
609.25397	1.1
610.40802	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.2
58.00611	1.2
59.01387	25.9
61.98845	4.8
63.02407	3.5
65.00323	10.6
69.03455	0.8
71.01387	8.1
73.02959	2.9
75.00891	0.8
79.49236	0.4
83.01394	8.9
85.02934	4.4
87.00868	1.2
88.98824	0.9
89.02435	2.4
89.74234	0.5
93.03451	10.4
95.01410	0.7
96.96030	0.7
97.02972	1.2
99.00864	0.7
99.92648	0.5
101.02430	4.6
102.06157	0.5
107.01401	22.5
108.02157	1.0
108.99349	0.7
109.02958	0.8
113.02477	2.4
117.03488	2.2
119.05026	48.3
121.02958	64.0
125.02451	5.4
131.01331	1.1
132.02129	0.7
133.02943	0.6
134.03729	3.0
135.04526	3.4
136.05331	0.6
137.02454	3.1
143.05029	1.1
145.02971	5.2
149.06064	0.7
151.00386	71.8
157.06485	0.7
160.01648	5.7
161.02357	1.1
161.04599	0.7
161.06119	2.2
163.04001	0.8
164.01118	0.7
165.01964	4.2
169.01413	2.5
173.04529	2.9
175.00366	5.4
175.04041	7.1
176.04753	0.5
177.01952	6.9
179.03424	0.7
183.93634	0.6
185.06055	2.8
187.04103	4.7
191.05618	5.6
193.01372	0.8
193.05028	2.4
218.90198	0.6
227.07091	4.7
235.06142	0.7
271.06158	100.0
272.06586	0.8
273.20551	0.6
285.07761	0.9
295.05597	3.7
300.02661	1.1
305.08832	2.2
313.07089	2.0
337.09338	11.0
385.25861	2.2
386.26300	2.2
433.27557	1.1
441.29980	1.1
453.30383	0.7
454.30045	0.8
465.30011	6.6
471.30734	0.9
481.29510	0.8
482.27002	2.8
483.31235	4.7
500.31296	0.8
501.32120	1.0
518.32410	5.2
519.32379	2.5
549.34509	39.9
563.30725	7.0
609.16235	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1476
Annotation	Quercetin 3-robinobioside
Peak:m/z	Relative Intensity
54.85007	0.5
59.01386	2.3
59.86311	0.4
63.02419	2.3
65.00320	5.1
70.74619	0.5
71.01394	1.0
83.01411	3.5
85.02979	0.9
85.20705	0.5
88.00451	0.5
89.02460	0.5
91.01952	0.5
93.03468	3.6
104.05042	0.6
107.01396	12.3
108.02205	0.9
109.02962	8.6
114.39529	0.5
119.01415	0.7
121.02970	13.4
123.95063	0.5
127.35365	0.5
129.04701	0.5
135.00948	1.2
135.04463	0.5
137.02473	2.2
139.04074	0.9
148.01633	0.9
149.02469	1.1
151.00391	49.6
157.06635	0.5
159.04518	2.4
161.02457	0.8
163.00388	10.9
163.04019	0.7
164.01164	1.1
165.05560	0.6
167.04993	0.5
169.01448	2.5
173.06175	0.9
177.04102	0.8
178.99883	21.7
183.04536	2.4
185.06056	1.0
187.04041	1.0
190.99849	0.7
192.00786	0.8
193.01454	1.1
195.64493	0.6
199.04051	1.0
201.05605	2.2
203.03503	0.9
211.04108	5.1
215.03542	2.1
216.04344	0.6
226.02794	0.8
227.03526	6.5
228.03967	0.6
229.05165	3.8
239.03514	2.2
243.03040	10.7
243.05305	0.9
244.03671	0.5
245.04608	6.5
254.02281	1.3
255.03053	34.7
256.03513	0.9
257.04553	1.2
266.02219	0.9
271.02533	57.2
272.03027	2.5
273.04129	4.4
283.02539	5.2
284.03244	2.0
285.04214	1.0
299.01947	2.8
300.02823	79.8
301.03595	100.0
302.03851	1.1
331.13516	0.7
335.77072	0.6
431.22989	0.6
463.08334	0.6
609.14777	92.4
610.15363	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91775	0.5
57.03490	0.4
59.01384	12.1
59.55751	0.5
71.01386	8.6
72.99316	0.8
75.00865	0.5
76.18190	0.5
83.01389	0.8
85.02953	2.8
87.00868	0.6
89.02446	9.6
92.10878	1.0
93.03421	3.7
96.96007	0.8
101.02454	4.2
102.84204	0.6
107.01331	0.5
112.12556	0.5
113.02472	4.0
117.03467	0.9
119.03523	2.4
119.05042	2.6
121.02950	11.9
133.02974	2.0
135.03030	1.0
135.04546	2.7
137.02435	2.0
145.02937	0.5
146.87776	0.5
151.00391	2.0
159.04486	0.7
161.04578	0.7
163.04024	2.7
171.04443	0.7
173.04512	1.1
179.05617	3.2
181.07164	0.6
183.04512	2.7
191.05649	6.2
211.04028	3.8
211.07675	5.1
215.04669	2.1
227.03543	14.2
230.82953	0.6
237.06772	0.5
237.09160	2.1
239.03619	0.8
240.45467	0.5
241.04945	0.6
243.03023	0.7
250.94026	0.5
255.03024	59.0
256.03680	1.1
279.56091	0.6
283.02521	100.0
284.03287	22.1
285.04080	50.9
285.78040	0.5
287.06839	4.6
297.03955	2.2
325.11591	0.8
327.05280	1.1
327.08759	1.1
375.12363	0.6
411.88058	0.5
427.14737	2.2
446.08698	10.9
447.09424	50.9
487.16766	4.6
489.10352	5.2
549.25739	2.3
609.14716	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66523	0.3
54.83288	0.3
55.01900	0.6
57.03479	0.4
58.00603	0.3
59.01389	24.4
59.44365	0.3
59.87802	0.4
65.00336	0.4
71.01385	11.4
72.99325	0.4
73.02973	2.0
77.23374	0.3
83.01409	1.5
85.02961	3.9
87.00909	0.7
89.02448	10.8
92.15759	0.4
93.03490	2.1
95.01402	1.1
99.00878	0.4
101.02451	8.4
107.01421	0.6
113.02453	5.7
113.81318	0.3
117.03450	0.5
119.03517	4.0
121.02966	9.7
125.02431	0.3
133.03004	0.5
135.02945	0.4
135.04568	1.7
143.03464	0.5
144.87231	0.3
149.04521	0.4
151.00380	1.9
155.11665	0.3
156.51552	0.3
159.04567	1.3
161.04591	1.8
163.00389	0.4
163.04083	0.7
169.06642	0.7
171.04578	0.5
173.04587	0.5
179.05667	2.6
181.07231	0.4
183.04465	3.3
184.03613	0.3
185.02390	0.5
185.06145	0.6
187.04045	0.7
189.12935	0.6
189.25162	0.4
191.05653	3.2
211.04054	4.3
211.07677	4.5
214.02612	0.3
221.06685	0.4
227.03558	7.8
229.05130	0.7
239.03465	0.8
241.04993	0.5
243.03026	0.4
255.03021	61.1
256.03690	0.8
257.04602	0.7
265.09177	0.5
269.04565	0.6
281.04651	0.4
283.02527	100.0
284.03247	12.4
285.04095	67.9
297.04047	1.3
327.05176	2.6
337.09369	0.5
387.20261	0.7
427.14639	3.1
446.08572	11.7
447.09399	31.2
489.10394	3.0
507.46167	0.3
539.85980	0.4
549.25641	20.7
609.14728	31.4
610.15479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19376	0.6
59.01394	12.0
62.18336	0.5
71.01064	0.7
71.01385	5.6
72.99326	1.0
74.02457	1.0
75.00894	1.6
85.02972	1.6
88.97157	0.7
89.02481	1.6
93.03474	6.1
101.02444	0.9
107.01419	3.2
113.02482	1.2
114.79763	0.7
115.00359	1.5
117.03509	0.9
119.05028	3.7
121.02967	17.8
135.00905	1.1
135.02953	2.5
135.04543	1.2
146.26845	0.7
147.04527	15.1
151.00394	4.6
159.04503	0.8
163.00421	1.3
164.01176	1.5
165.05574	14.6
169.06694	0.8
178.99883	0.9
181.06982	0.8
183.04504	1.5
185.06102	1.1
191.05621	4.2
203.08302	1.0
207.06641	4.6
211.04031	2.6
227.03540	49.7
228.04030	0.8
229.05075	5.7
237.09288	1.2
239.03520	1.2
239.10880	1.3
245.09280	1.0
246.14783	0.7
252.75636	0.7
255.03026	82.7
256.03864	5.3
257.04626	3.9
265.12390	1.2
283.02570	1.6
284.03308	100.0
285.04074	36.1
309.04376	0.8
331.13513	1.4
375.12338	1.0
399.91769	0.8
549.25812	3.6
609.14832	59.6
609.24249	3.3
610.15228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98724	0.3
53.76269	0.3
59.01400	0.8
63.02431	0.7
63.27533	0.3
65.00359	1.6
71.01409	0.4
83.01395	0.5
85.02990	0.4
88.12820	0.3
107.01418	4.4
108.02213	2.4
109.02982	2.0
115.34583	0.4
121.02941	3.2
135.00914	1.3
145.02986	0.8
148.01662	2.5
149.02486	0.7
151.00398	13.2
159.04500	0.5
163.00359	3.1
164.01172	1.5
169.01398	0.7
175.04059	0.4
177.96431	0.3
178.99890	6.9
183.04585	1.4
187.04024	0.8
199.03995	0.6
201.05457	1.1
203.03468	0.4
211.04028	1.3
226.02841	1.8
227.03522	5.8
229.05110	0.5
239.03455	0.5
243.03018	14.4
244.03802	0.4
245.04506	1.7
245.09245	0.4
254.02281	2.1
255.03041	32.9
257.04660	0.4
271.02533	73.0
272.03110	2.1
273.04089	2.0
283.02493	1.8
284.03345	1.7
285.04044	1.6
299.01974	2.3
300.02817	100.0
301.03574	28.3
414.88342	0.4
417.98013	0.4
439.60721	0.5
609.14771	65.1
610.14905	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	609.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.1
59.01658	0.2
64.46307	0.2
71.01386	18.3
71.10081	0.2
71.21296	0.2
75.00874	0.8
85.02980	0.4
87.00903	0.9
89.02480	0.9
93.03490	0.4
110.17731	0.2
113.02463	0.3
113.99660	0.3
115.00383	7.7
118.81843	0.2
119.05060	1.1
121.02964	100.0
122.03261	0.7
133.02948	0.3
135.03043	0.3
135.04533	2.4
151.00381	0.3
163.04045	0.4
174.01746	0.3
183.04564	1.1
191.05615	0.8
192.05954	0.3
201.94360	0.2
211.04099	0.4
227.03525	0.5
237.04059	8.7
255.03038	15.3
256.03467	0.2
277.05798	0.5
283.02530	24.0
284.03214	2.1
285.04172	1.3
337.07700	1.9
371.09995	1.9
446.08432	1.7
447.09503	0.3
609.14862	14.4
609.23627	0.7
610.14630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24047	1.1
57.15723	1.2
59.01385	37.7
61.98833	7.8
63.02388	1.8
65.00337	2.9
65.38078	1.3
67.01866	1.2
71.01392	17.6
72.99317	6.2
73.02953	3.3
75.00876	2.8
82.11420	1.4
83.01402	6.4
83.05067	1.2
85.02950	14.1
87.00893	3.0
88.98792	11.0
89.02448	6.1
93.03470	9.2
95.01361	1.5
97.02921	2.0
101.02454	9.8
107.01391	8.6
109.02912	1.7
113.02473	10.8
116.83081	1.5
116.92838	6.0
119.03487	2.7
119.05011	6.4
121.02960	100.0
125.02416	6.2
127.21819	1.6
135.02968	1.8
135.04512	22.1
137.02441	2.0
139.11305	1.5
149.00659	7.2
151.00388	21.1
152.01196	2.7
153.01996	5.8
159.04604	1.6
160.01598	3.6
161.02419	2.5
161.04507	1.6
163.03989	7.4
173.04497	5.9
175.03993	3.4
178.99892	9.2
185.00832	1.6
191.05615	11.7
192.99709	1.9
193.05051	1.9
211.07632	1.8
227.03522	5.7
243.03035	2.4
255.03024	12.9
257.04669	1.8
271.02536	10.6
281.14035	1.7
283.22870	2.0
284.03235	9.0
285.04065	9.0
300.02777	12.7
301.03403	6.7
313.03610	6.7
340.02252	2.2
341.03070	23.5
353.03094	2.3
375.12225	1.8
431.31067	1.7
447.07318	3.3
463.08698	2.1
503.07895	2.3
549.33698	12.2
565.28918	2.0
609.12628	39.3
609.29993	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	609.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64043	0.4
53.42763	0.5
54.96128	0.7
59.01390	12.3
63.02419	0.6
65.00336	0.9
71.01387	10.9
73.02957	5.2
78.19933	0.6
78.95931	2.3
83.01418	2.4
85.02985	3.3
88.98830	0.6
89.02469	3.2
93.03474	2.3
96.96028	0.9
97.02948	1.0
101.02456	12.1
106.81757	0.7
107.01446	3.8
108.02193	1.0
109.02973	1.2
113.02438	4.7
115.03993	0.6
116.92906	0.8
117.03494	0.7
119.03524	0.8
119.05038	1.4
121.02961	100.0
122.03174	0.7
125.02450	9.4
135.02971	1.5
135.04530	46.7
139.04045	0.8
145.02962	1.1
147.04579	0.7
148.01639	0.6
149.02475	0.9
151.00417	11.0
152.01169	0.7
152.99548	1.3
161.04562	2.6
163.00389	1.0
163.04042	8.9
175.04001	1.0
178.99883	3.9
191.05698	0.7
193.05089	1.0
199.03987	1.1
201.11320	0.9
209.11884	1.4
211.04001	0.7
223.06181	2.5
226.02852	0.7
227.03477	2.5
243.03009	5.6
245.04407	0.6
252.34621	0.6
254.02304	0.7
255.03027	24.3
271.02527	40.6
272.03168	2.5
283.08389	1.1
285.04083	1.3
299.02069	1.3
300.02814	59.2
301.03580	17.6
313.03571	1.0
317.14008	0.6
326.00540	0.7
341.03201	6.9
409.11594	0.8
463.08896	22.8
503.08289	0.8
520.55939	0.6
549.29749	3.0
591.26294	0.7
609.12677	26.5
609.27661	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	609.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83368	0.5
56.15274	0.5
59.01380	0.8
63.08301	0.5
65.00333	0.9
82.26728	0.5
82.43246	0.6
83.01382	1.3
83.83069	0.6
85.63073	0.6
93.53254	0.5
98.57290	0.6
100.39110	0.5
107.01408	3.7
107.46464	0.6
108.02158	1.3
109.02982	1.4
119.98699	0.6
121.02946	3.9
145.02956	0.9
148.01674	1.5
149.02483	0.7
151.00372	13.5
163.00400	3.4
178.99858	5.4
192.00578	0.8
199.03903	0.8
211.03908	0.9
226.02782	1.1
227.03488	4.4
229.05043	0.7
243.03003	11.8
245.04565	1.2
254.02216	1.4
255.03020	33.2
271.02509	64.0
272.03134	3.0
273.04083	0.7
299.02133	1.3
300.02798	100.0
301.03577	37.9
463.08905	30.9
491.50375	0.7
609.12659	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34611	0.6
59.01398	3.8
65.00352	0.6
71.01378	0.8
75.05472	0.7
92.10744	1.6
96.96011	3.0
98.95622	1.3
101.02479	0.8
107.01396	1.1
108.02231	0.9
109.02959	1.0
113.02463	0.8
119.05030	1.2
121.02984	1.3
135.00853	0.9
145.02994	2.7
148.01717	1.5
151.00394	16.0
163.00375	1.7
163.03999	1.0
164.01093	0.8
178.99895	5.2
211.04007	1.2
211.13402	1.6
213.95601	0.9
215.03674	1.1
226.02719	1.5
227.03459	3.8
243.03000	14.6
254.02141	1.5
255.03029	33.9
271.02536	64.8
272.03204	3.4
273.03842	0.9
283.02524	0.9
300.02817	100.0
301.03574	30.2
420.76251	0.9
463.08932	29.9
549.32635	1.0
609.12701	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83337	1.2
60.99317	20.6
61.98846	1.2
71.15203	1.2
71.36258	1.2
78.95913	1.6
88.98813	100.0
89.02460	6.3
93.57626	1.3
96.96033	1.7
99.00869	1.5
116.92822	1.5
135.04564	1.5
136.43907	1.2
144.90070	1.4
167.47661	1.4
471.35016	8.4
607.28821	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83337	1.2
60.99317	20.6
61.98846	1.2
71.15203	1.2
71.36258	1.2
78.95913	1.6
88.98813	100.0
89.02460	6.3
93.57626	1.3
96.96033	1.7
99.00869	1.5
116.92822	1.5
135.04564	1.5
136.43907	1.2
144.90070	1.4
167.47661	1.4
471.35016	8.4
607.28821	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86950	4.2
59.01389	61.7
61.98853	27.6
71.05032	4.8
72.99336	4.9
76.35300	4.3
88.53837	4.5
88.98822	9.2
95.92726	5.2
102.14514	5.7
121.02908	7.0
128.91504	4.7
156.90247	5.2
165.13779	4.8
295.59781	6.5
379.26529	5.6
407.25955	27.1
452.24634	5.1
453.30151	29.9
481.29831	22.2
487.30920	6.3
499.30832	22.7
517.31671	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	607.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.2
58.00600	2.0
59.01387	100.0
71.01385	60.1
71.01780	1.8
72.99332	1.5
73.00615	0.9
73.02978	1.2
75.00899	2.0
78.36979	0.9
82.25607	0.8
83.01405	3.9
85.02957	11.4
87.00901	3.7
89.02448	72.3
92.10805	2.0
93.03430	1.2
95.01416	3.9
99.00883	1.2
101.02444	23.1
113.02460	20.4
119.03516	23.4
119.05016	3.7
121.02966	22.0
123.88805	0.8
131.03503	1.8
135.03027	5.5
143.03491	4.9
149.04601	1.8
149.39395	0.8
161.04593	8.1
163.04007	1.7
175.42911	0.9
179.05635	33.6
184.81291	1.0
191.05684	4.9
205.12367	11.5
211.07698	18.0
265.08777	1.0
269.06650	1.3
327.08752	3.7
367.17801	1.7
489.14105	1.4
509.18378	1.0
542.56274	1.0
607.18140	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31371	0.1
57.03456	0.3
59.01392	2.0
60.99320	1.1
65.76722	0.2
67.01909	3.7
67.16614	0.1
67.60411	0.2
69.03476	1.4
70.08278	0.2
71.01395	2.1
73.02969	0.3
81.03478	1.2
83.05040	0.8
85.02964	5.9
87.00882	7.8
93.03461	25.7
97.02978	0.2
98.17363	0.2
99.00868	0.4
99.04565	0.3
109.02977	0.7
111.04534	4.4
113.02474	0.4
117.03497	0.3
119.05029	11.5
121.02958	0.9
127.04002	1.8
129.01927	1.4
143.03513	0.3
143.73711	0.2
145.02946	1.5
155.03503	0.8
159.06592	0.2
163.04021	10.6
165.00214	0.3
165.09122	0.2
171.03049	0.4
173.04567	7.2
191.05641	100.0
192.06053	0.4
202.27072	0.2
202.70558	0.2
211.07736	0.7
231.27762	0.2
234.80254	0.2
337.09354	23.4
350.58844	0.2
385.18604	0.3
462.40259	0.2
526.16815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.8
71.01385	6.3
72.98965	0.7
72.99304	5.4
73.02953	1.2
75.00874	43.7
77.92957	0.4
79.59210	0.5
82.27302	0.4
85.02973	2.6
87.00913	2.5
89.02442	10.5
93.03455	6.3
95.01404	0.5
96.45918	0.5
96.96014	1.2
99.00862	0.8
101.02449	0.8
107.05039	1.1
109.02937	0.5
111.00912	0.6
113.02441	1.3
115.00348	0.6
116.82978	0.5
117.01923	2.9
119.03576	0.8
119.05032	18.5
121.02965	16.8
123.00877	0.8
134.03732	0.9
135.03012	100.0
135.04628	3.4
137.02451	1.1
145.02945	1.1
151.03999	2.0
154.98117	3.2
159.04446	0.7
161.02426	0.6
161.04663	0.5
163.04013	10.7
164.04700	1.1
177.05562	1.9
179.05698	1.0
179.07146	0.7
180.96075	1.3
181.05037	0.7
184.06735	0.5
185.89703	0.5
191.05635	2.2
193.05016	0.6
198.97054	1.0
205.05121	1.9
208.03833	1.0
210.06908	8.4
211.07684	21.4
212.27019	0.6
221.08224	0.7
223.05898	4.5
237.09259	4.4
239.05670	0.9
239.10872	3.7
265.07037	0.7
281.06726	0.9
295.08163	1.0
313.09229	0.8
325.09396	2.1
327.08954	0.7
373.13004	5.6
426.10944	0.7
489.13959	7.8
605.78827	0.6
607.18195	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	607.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.1
56.05026	0.1
56.35395	0.1
57.03463	0.6
59.01387	7.6
65.98550	0.1
69.03471	0.5
71.01385	3.9
72.99298	0.3
73.02950	1.9
75.00871	1.7
77.38121	0.1
77.74417	0.1
78.95941	0.1
83.01400	1.0
85.02952	2.0
87.00880	2.5
89.02444	2.1
93.03458	0.8
95.01366	0.2
96.96045	0.3
97.02952	0.2
98.63186	0.1
99.00889	0.6
99.04567	0.1
101.02446	2.8
110.95247	0.1
111.00909	1.9
113.02445	3.0
117.03471	27.1
119.03509	0.7
119.05019	3.6
121.02968	1.2
121.03713	0.1
121.49844	0.1
127.04050	0.2
129.01929	0.8
131.03479	0.2
133.02922	0.1
135.03043	0.2
135.04547	0.5
137.02435	0.5
141.01958	0.1
143.03474	0.3
145.02968	100.0
146.03349	0.6
147.04509	0.1
161.04576	0.5
163.04034	2.6
163.05255	0.2
168.95935	0.1
173.04584	0.5
173.06015	0.1
177.04079	2.0
179.05627	0.3
191.05667	1.7
195.05028	0.1
223.13382	0.2
268.80359	0.1
307.08347	1.7
323.10022	0.2
341.10846	1.2
383.12112	0.7
425.13049	0.2
429.21558	0.3
511.14987	0.6
529.15692	0.7
571.16797	15.4
572.17920	0.2
607.26349	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	606.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
56.05299	0.2
59.01380	1.8
61.98835	100.0
63.46687	0.2
65.68063	0.2
71.01384	2.3
73.02944	0.9
83.01384	0.4
85.02939	0.5
87.00881	0.4
88.00417	0.3
88.98827	0.3
89.02451	0.4
90.27162	0.2
101.02438	1.6
104.05312	0.2
113.02451	0.8
114.02712	0.2
121.02989	0.2
161.04544	0.8
229.19756	0.2
277.10040	0.2
280.12033	0.2
384.24734	0.2
411.46182	0.2
489.89566	0.2
539.61353	0.3
546.30194	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	607.132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	2.5
66.04150	0.4
68.77362	0.5
71.01383	16.3
75.00883	1.0
85.02974	3.5
87.00935	0.9
89.02458	0.7
93.03456	36.7
96.96018	1.0
111.04575	0.5
115.00380	9.2
116.92871	1.0
119.05051	1.2
121.02980	3.0
133.01433	1.2
133.03036	1.1
135.03015	2.9
135.04593	4.1
137.02451	100.0
138.02811	0.8
149.02510	0.6
161.02477	0.8
163.04012	2.2
164.04826	1.2
179.03514	3.1
181.32729	0.5
190.02737	0.7
191.05629	32.0
193.05013	0.7
205.05064	1.0
211.07800	0.8
223.06166	2.3
253.03569	13.5
307.08252	2.2
353.08832	3.5
385.11401	1.0
489.14191	0.8
566.08350	0.6
607.18469	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	606.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28716	0.6
59.01402	3.1
61.98840	100.0
63.79172	0.5
64.83322	0.6
67.48603	0.6
71.01404	3.8
73.02942	0.7
85.02952	0.8
89.02485	0.7
101.02480	1.6
108.55430	0.7
113.02443	0.8
121.02943	0.8
127.29617	0.6
160.35008	0.6
297.74005	0.8
324.30383	0.7
354.64505	0.8
410.07800	0.7
545.28247	0.8
546.29248	3.1
606.41669	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83682	0.5
59.01395	7.6
61.98844	100.0
66.98908	0.5
71.01397	7.4
73.02962	1.2
82.95478	0.7
83.01414	0.8
85.02975	1.4
89.02464	3.3
89.17643	0.6
93.03465	0.9
101.02445	6.7
102.02875	0.9
105.46897	0.6
113.02469	1.6
119.03510	1.5
121.03004	2.6
125.02468	1.0
130.14650	0.7
153.54608	0.7
161.04585	1.3
173.04443	0.9
179.05592	0.8
193.31483	0.6
197.55890	0.7
209.11874	1.4
237.80212	0.7
384.34387	0.7
424.30618	0.7
532.26648	1.0
545.29309	1.5
546.29816	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	605.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10114	1.4
52.13966	1.4
55.01880	2.8
57.03461	2.3
59.01387	35.3
61.98838	37.4
63.21819	1.3
71.01381	25.3
71.05026	1.7
72.01751	1.7
73.02953	6.8
76.24883	1.6
82.95408	1.6
83.01379	3.8
84.16779	1.6
85.02956	9.9
87.00884	3.9
88.90163	1.8
88.98786	1.9
89.02445	9.1
92.65957	1.6
99.00828	2.2
101.02460	17.7
110.53607	1.9
111.08162	7.0
113.02470	11.8
119.03454	1.9
121.02939	4.2
131.03555	2.0
132.37534	2.2
161.04572	3.7
179.05438	1.6
189.70422	1.9
189.72133	1.6
191.05588	2.5
197.11862	32.7
209.11833	1.9
253.09416	12.4
291.19672	9.2
309.20789	31.9
383.24115	1.9
468.93591	1.8
517.69849	1.8
545.29297	30.1
545.38708	6.4
605.40735	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	605.4068
Annotation	MK 800-62F1
Peak:m/z	Relative Intensity
50.97018	0.4
54.82940	0.4
57.03447	0.5
59.01390	5.5
61.98834	8.8
70.22787	0.4
71.01376	0.6
80.13039	0.4
81.98347	0.5
85.02991	0.5
101.02454	1.1
116.92857	0.5
118.31046	0.4
121.02979	0.7
137.29089	0.4
151.92355	0.5
162.38615	0.5
167.09569	0.5
209.12016	0.6
215.91914	0.5
237.50177	0.5
304.26819	0.6
304.62836	0.5
343.96124	0.4
431.04413	0.6
545.29474	0.6
605.40759	100.0
606.41046	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	605.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01273	0.8
55.01896	6.6
56.14558	1.0
57.03462	5.5
58.00608	1.3
59.01387	100.0
61.98848	4.8
64.76521	0.9
67.98690	0.9
71.01384	76.0
72.99330	5.6
73.02950	16.9
75.00903	1.9
83.01398	11.6
85.02962	32.6
87.00889	7.1
88.71412	1.0
89.02448	64.4
95.01405	6.7
97.02991	1.9
99.00892	5.8
101.02449	67.6
103.00401	2.2
111.00919	1.3
113.02460	33.4
119.03502	23.3
125.02459	5.2
131.03496	7.3
143.03513	7.1
161.04570	23.8
170.52928	1.2
171.52094	1.1
179.05621	50.6
209.11880	1.6
221.06664	18.0
316.77219	1.2
340.36212	1.2
383.24136	1.2
545.29834	56.5
604.39594	2.3
605.40308	11.7
629.88428	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4074
Annotation	MK 800-62F1
Peak:m/z	Relative Intensity
57.03455	0.2
57.44389	0.2
58.83209	0.2
59.01390	3.3
61.98829	0.9
71.01383	0.5
71.10650	0.2
83.01403	0.2
84.63085	0.2
85.02985	0.4
86.00098	0.3
88.98787	0.3
92.74216	0.2
101.02459	1.3
107.77913	0.3
116.92872	1.2
117.73977	0.2
131.03499	1.4
160.13646	0.2
204.80986	0.2
247.77919	0.2
356.31644	0.2
487.34369	0.9
559.38715	0.3
603.39941	1.5
605.40729	100.0
606.41052	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	605.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	5.2
57.03453	5.6
59.01390	69.5
61.98841	6.9
63.21779	1.3
69.03496	1.9
71.01395	54.4
72.99339	1.7
73.02966	13.0
75.00892	1.9
83.01397	9.9
85.02967	27.3
85.03408	1.9
87.00890	3.4
89.02456	22.0
92.10785	4.3
95.01424	3.4
97.02966	7.7
99.00887	7.0
101.02444	46.8
102.64595	1.3
111.08196	11.7
113.02443	24.3
119.03528	7.3
125.02456	2.6
125.09766	2.1
137.02405	1.7
143.03485	1.5
147.04521	1.7
159.03078	2.6
159.10016	1.3
161.04564	18.9
165.12819	2.6
169.12357	5.7
171.10286	7.1
173.04575	1.8
183.13962	1.3
197.11870	43.2
199.13403	1.7
209.11816	2.2
211.13422	9.5
225.14932	10.7
253.09293	34.3
253.62093	1.5
263.20038	2.6
268.80106	1.4
291.19684	34.2
309.20786	100.0
375.02893	1.6
383.24344	7.4
451.28418	1.9
488.75635	1.5
496.27924	1.8
515.30292	9.0
545.29773	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	4.4
64.85609	2.4
92.24648	2.7
114.39526	2.8
126.72208	3.0
168.50189	2.9
171.20535	3.3
201.67754	2.7
445.20462	100.0
459.22003	18.8
473.19635	3.2
484.30594	3.4
504.21838	51.7
518.23334	12.3
519.24060	50.3
605.28149	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
66.77483	1.4
74.74214	1.5
129.43649	1.8
134.96635	2.2
142.97803	2.0
165.79295	1.9
166.17059	1.9
309.04584	2.0
325.85870	1.8
412.55573	1.8
430.17947	10.8
445.20398	100.0
459.22095	21.4
460.22607	2.6
491.64859	1.9
504.21762	42.3
518.23425	10.5
519.24078	46.9
541.16675	2.3
573.25262	3.4
605.27832	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44934	0.1
55.89338	0.1
57.30046	0.1
59.01396	0.2
61.98840	0.1
73.02962	0.2
76.64555	0.1
79.90340	0.1
81.69842	0.1
86.34878	0.1
99.92590	8.6
100.92542	0.1
114.93491	0.2
116.92867	100.0
116.97196	0.5
117.92874	0.9
215.75215	0.1
229.36742	0.1
259.98465	0.1
339.48099	0.1
562.00763	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	605.2415
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.84072	2.1
57.20459	2.4
57.79258	2.2
63.88307	2.3
79.52193	2.5
121.02954	3.4
137.24113	3.1
145.02979	5.8
186.20506	2.7
278.97916	3.2
303.84171	3.0
471.18314	3.8
514.19952	13.0
529.22601	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	605.242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83199	1.1
56.65677	1.0
60.78002	1.1
82.99422	1.3
107.12681	1.4
243.49519	1.4
410.75864	1.7
415.15979	1.7
457.20364	2.7
459.18726	2.5
473.19888	2.7
485.19336	2.0
486.20978	5.4
501.22986	1.8
511.21689	2.3
514.20306	8.7
518.18994	1.6
529.22601	100.0
539.54468	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93367	1.0
59.01385	13.4
64.41079	1.1
65.03981	1.0
67.01912	1.9
69.03451	1.2
71.01387	9.5
73.02950	1.2
75.00880	1.6
82.95419	12.0
85.02962	5.8
87.00909	1.8
89.02461	1.4
93.03458	90.0
96.99303	11.3
98.29193	1.2
99.04484	1.4
101.02467	2.3
109.02995	1.9
111.04538	6.5
115.00434	1.3
117.03478	2.2
119.05035	29.8
119.05820	2.2
121.02959	38.6
123.04515	1.9
131.05025	8.4
133.02989	7.4
134.03711	1.2
135.04495	1.5
137.02454	26.3
143.05038	47.7
145.02977	7.6
145.06641	1.8
154.04057	1.3
155.03543	11.8
159.04518	1.6
163.04015	11.8
170.94641	1.2
171.04506	5.8
171.10197	1.8
173.04559	51.6
191.05707	5.8
210.06836	5.1
211.07687	76.4
219.08083	2.3
221.09755	1.4
223.07715	5.5
235.07703	7.6
237.09285	15.4
247.07800	1.7
253.08849	2.0
265.08728	47.3
271.04620	1.3
285.03867	1.1
295.08243	7.7
302.20190	1.2
309.07770	11.8
327.08798	100.0
398.12497	1.2
405.16718	1.4
451.14273	2.3
483.13083	35.8
559.27777	1.6
605.16907	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	605.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47616	0.1
58.86765	0.1
59.00151	0.1
59.01397	1.4
63.53469	0.2
66.29683	0.1
67.98856	0.2
71.01385	19.2
73.02964	0.2
85.02962	1.3
87.00867	0.3
89.02460	0.2
90.34874	0.1
93.03454	2.7
96.95987	0.2
101.02448	0.2
109.03004	0.2
111.00913	0.2
111.04527	0.2
115.00382	8.2
119.04956	0.2
121.02961	100.0
122.03310	0.7
129.57634	0.2
131.07120	0.8
134.03696	0.4
137.02469	2.8
173.04497	0.3
173.08308	0.2
191.05637	16.0
211.07649	0.2
237.04074	10.1
315.84503	0.2
367.10455	1.9
367.18628	0.2
383.13260	0.4
426.84308	0.2
471.05310	0.2
634.57837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
58.86138	0.8
59.01399	14.7
65.03979	1.1
67.01912	2.1
67.34650	0.9
71.01407	11.4
72.56196	0.9
73.02955	1.3
75.00893	2.0
80.91690	1.9
85.02972	4.1
89.02470	2.2
93.03461	98.3
96.96028	1.3
96.99317	9.4
101.02429	3.6
107.05096	1.1
109.03000	3.8
111.04530	7.7
113.02448	1.3
115.00402	2.0
117.03492	5.9
119.05022	29.9
121.02965	43.6
123.04546	6.6
127.04017	1.1
129.10551	0.9
130.04259	1.6
131.05049	12.0
133.02954	9.2
134.03725	4.2
137.02458	30.4
143.05042	52.2
145.02948	8.9
145.06622	3.7
145.33313	1.0
149.06104	1.5
155.03531	15.3
158.03725	1.0
159.04497	1.6
161.02467	1.1
163.04039	16.2
171.04530	4.9
171.10320	1.2
173.04576	55.3
182.58298	1.0
191.05644	5.5
192.25156	0.9
210.06895	3.9
211.07695	81.1
219.08185	1.3
221.09760	3.8
223.07648	5.4
235.07613	9.2
237.09294	16.8
247.07744	1.3
253.08707	1.5
265.08731	52.5
267.08804	3.6
268.09003	1.1
271.04669	1.4
274.55505	1.0
274.58786	1.0
295.08334	7.0
309.07690	13.7
319.08435	1.5
327.08795	100.0
328.08936	1.4
395.09775	0.8
402.66611	1.0
418.02029	1.0
439.14017	1.3
451.14368	1.2
483.13113	35.0
605.16370	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	603.3917
Annotation	Lasalocid B
Peak:m/z	Relative Intensity
50.40650	0.5
55.71867	0.5
57.03473	0.5
57.61781	0.7
59.01385	17.8
61.98850	3.1
62.75968	0.6
62.88532	0.5
66.73351	0.5
71.01392	1.2
76.52410	0.6
78.95876	0.7
82.95426	8.7
83.05054	1.0
84.95152	0.9
85.02988	0.7
88.98807	1.5
101.02431	3.1
113.00614	0.7
115.56432	0.6
116.92899	0.6
121.02898	0.6
131.03439	0.8
138.99557	0.7
163.11324	0.8
165.05858	0.6
171.10284	1.0
209.11870	18.0
227.13071	1.1
243.58514	0.7
335.75018	0.9
399.97766	0.7
427.78241	0.7
521.33820	1.2
543.28961	1.4
603.39227	100.0
604.39233	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	604.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.9
61.98837	100.0
85.02940	0.4
99.38381	0.3
110.67823	0.3
111.00848	0.4
116.92859	0.3
188.18999	0.4
194.52933	0.3
221.42824	0.4
332.93884	0.3
385.87180	0.4
442.34052	0.4
525.22131	0.5
552.35278	0.4
603.38629	0.7
604.39655	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	24.5
61.98819	2.4
67.01885	2.4
68.91080	1.5
71.01389	18.5
72.97522	1.5
73.02927	2.1
75.00877	6.5
83.01398	1.6
85.02971	11.7
87.00882	3.7
87.04554	1.4
89.02442	6.0
92.10169	3.3
93.03475	11.3
96.96025	3.0
99.00891	67.3
101.02461	6.2
101.73546	1.6
108.02194	1.6
109.02969	13.8
111.00896	15.3
112.04902	1.5
113.02435	3.3
115.00399	2.8
115.64700	1.5
119.05004	9.2
121.02964	35.3
123.00786	2.4
123.04501	2.5
125.02467	18.2
129.01936	2.0
133.02907	2.1
135.03006	3.6
135.04536	26.8
137.02446	21.2
141.01971	1.9
145.03017	2.7
147.04491	6.0
149.02498	16.5
149.05994	1.9
151.00415	25.2
152.01123	2.4
153.01859	1.6
159.02998	2.6
159.04576	2.3
161.02397	3.0
163.04037	17.9
164.04839	13.1
165.01953	63.3
165.05542	3.3
166.02737	40.6
167.03471	8.9
173.04532	7.9
175.04024	2.5
179.03494	19.8
179.07069	3.7
180.04300	35.6
181.05109	39.1
191.03514	16.7
191.05582	37.2
192.05914	2.4
195.06650	35.1
210.05299	7.4
215.07199	1.6
219.03024	100.0
225.07695	21.8
229.01370	1.7
243.03081	1.6
258.05417	1.5
261.04016	7.1
271.02527	2.3
279.05164	36.1
285.47894	1.6
286.04761	2.7
301.07272	31.0
316.09567	21.7
331.08264	2.4
331.11899	31.5
341.93176	1.6
354.98853	1.5
379.13928	7.9
514.51947	1.9
545.13135	3.6
557.20477	3.6
578.93353	1.7
587.13995	2.2
605.15118	79.8
605.24506	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	603.3916
Annotation	Lasalocid B
Peak:m/z	Relative Intensity
51.64197	2.3
58.42727	2.3
59.01393	31.6
61.98848	13.9
67.07227	2.0
68.88448	2.0
68.99591	15.6
69.89868	2.4
71.01394	12.0
77.20340	2.2
80.20870	2.6
83.01400	2.3
83.07085	2.2
85.02939	3.8
89.02467	5.9
94.24187	2.6
96.95898	2.2
99.73548	2.9
101.02452	3.9
112.98585	6.1
131.03537	2.8
191.05553	3.0
209.11896	12.3
237.56291	2.8
256.34631	3.0
284.33728	2.8
346.94019	3.1
528.57025	2.9
543.28015	11.1
603.39154	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	603.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60367	0.2
53.45824	0.3
54.82531	0.3
55.58439	0.3
56.97066	0.2
59.01395	1.4
61.98844	0.6
96.96003	0.3
99.92635	0.4
116.92890	2.9
164.92458	0.3
184.96745	0.3
196.04495	0.3
206.20953	0.3
279.92969	0.3
603.39160	100.0
604.39435	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	603.3914
Annotation	Lasalocid B
Peak:m/z	Relative Intensity
54.37174	0.3
57.12712	0.4
59.01382	3.5
60.15391	0.4
61.98823	0.6
67.88210	0.5
71.01384	0.8
76.57582	0.6
87.22299	0.5
89.02464	0.5
96.96006	0.8
109.41364	0.4
116.92866	2.4
152.99559	0.5
172.74352	0.4
182.74763	0.4
195.46301	0.5
277.21603	0.6
293.21304	1.1
354.15952	0.5
470.99228	0.5
557.20032	0.5
603.39160	100.0
604.39752	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	603.3914
Annotation	Lasalocid B
Peak:m/z	Relative Intensity
50.96944	0.8
54.02821	0.9
58.60345	0.8
59.01388	11.7
60.99324	1.7
61.98837	1.9
71.01371	1.6
79.93224	0.8
80.20612	1.0
85.02963	1.7
86.00082	1.1
92.92827	2.0
101.02448	4.7
116.92877	2.0
160.41757	0.9
162.02606	1.0
204.48239	1.0
230.02490	1.1
284.07767	1.0
405.32028	1.2
421.86395	1.0
535.10187	1.2
602.06757	1.2
603.39178	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	603.3914
Annotation	Lasalocid E
Peak:m/z	Relative Intensity
55.01898	0.6
57.03440	0.8
59.01390	19.3
60.99332	0.6
61.98845	5.3
71.01401	5.5
72.99293	0.5
73.02979	1.0
82.95448	0.6
83.01406	1.3
85.02975	3.5
89.02475	2.3
101.02472	5.4
111.00226	0.7
113.02471	0.6
121.02944	0.8
131.03513	2.7
151.21153	0.6
163.11327	0.6
165.09335	0.6
209.11891	3.7
224.24550	0.6
245.18999	0.8
247.73012	0.7
253.09340	1.0
289.18228	5.6
307.19247	4.9
426.07980	0.7
485.33240	0.6
507.19989	0.7
541.97638	0.6
543.28229	2.5
584.95129	0.6
603.39197	100.0
604.39545	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	603.3911
Annotation	Lasalocid B
Peak:m/z	Relative Intensity
61.98833	2.6
62.54009	0.6
73.63563	0.6
74.83411	0.5
75.19775	0.5
76.75316	0.5
92.10042	0.9
95.08624	0.5
116.92836	1.1
131.91302	0.6
138.39372	0.6
195.21495	0.5
218.60796	0.6
256.68481	0.6
334.01556	0.6
603.39178	100.0
604.40002	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	603.3902
Annotation	Lasalocid B
Peak:m/z	Relative Intensity
59.01389	15.5
61.85490	3.6
61.98842	23.5
64.42740	2.9
83.05051	3.8
92.19158	3.8
100.00588	3.3
100.32913	3.8
115.15810	3.5
116.92882	17.9
142.07001	3.5
156.28413	4.2
160.93326	3.8
163.87457	3.9
165.32660	3.4
207.22993	4.1
306.13116	4.3
522.29877	4.0
603.39178	100.0
605.77173	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93253	1.0
51.36171	0.8
52.48665	1.0
59.01387	9.1
60.99308	1.9
61.98838	1.9
65.25729	1.0
71.01398	1.1
71.88197	1.1
81.13860	1.0
92.10828	2.8
100.73080	1.2
101.02458	1.7
111.51731	1.2
116.92843	1.8
248.65057	1.1
279.84933	1.1
474.83429	1.2
603.39130	100.0
604.39453	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	603.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	6.8
55.59533	1.0
56.47040	1.0
57.03460	5.2
59.01386	77.6
61.98816	1.5
62.39697	1.3
68.68044	1.2
69.03458	2.0
70.40336	1.1
71.01382	80.5
72.99307	2.6
73.02946	27.1
83.01397	15.8
85.02955	43.4
85.50211	1.2
87.00894	6.1
89.02444	41.0
95.01398	6.9
97.02930	2.4
99.00896	9.0
101.02446	59.4
113.02452	39.0
119.03512	14.4
125.02482	2.6
129.01994	1.3
131.03506	2.1
143.00839	1.4
143.03523	2.9
144.66396	1.4
146.59724	1.3
156.81314	1.3
159.03018	5.2
161.04558	23.2
179.05608	22.9
221.06696	6.9
268.32718	1.5
289.18375	2.0
323.09631	1.6
381.23032	13.5
543.28223	100.0
596.25641	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21160	0.3
53.59923	0.3
59.01386	51.1
61.98835	3.3
71.01392	0.8
73.17735	0.4
74.08977	0.3
77.38509	0.3
80.02682	1.5
81.03448	0.6
82.95424	6.7
83.01419	0.7
83.05026	4.9
84.00880	0.5
84.02183	0.6
84.95125	4.4
88.98818	1.4
89.02456	0.6
93.03523	0.4
97.06602	0.5
101.02465	0.6
116.92852	0.4
122.47811	0.4
125.06036	0.4
125.09714	1.5
135.08139	0.5
145.14586	0.3
163.11310	5.0
165.12830	2.5
171.10280	6.0
181.12419	1.5
185.11810	0.5
191.05606	0.5
191.10806	0.8
206.96701	0.4
209.11864	100.0
210.12262	0.5
222.22086	0.4
227.12907	10.6
240.43008	0.4
245.19070	0.5
247.13414	1.6
253.09334	0.6
263.20416	0.4
289.18256	4.2
307.19244	2.8
310.20700	0.4
327.55695	0.4
341.92496	0.4
449.25626	0.8
475.27078	1.5
493.28275	2.0
511.29120	1.3
543.28253	0.5
603.29779	0.7
603.39221	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	603.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	5.7
57.03461	3.8
58.81662	1.3
59.01387	62.5
61.98845	2.2
69.03468	2.0
70.57695	1.7
71.01383	73.4
72.99319	1.9
73.02952	17.5
83.01395	13.6
85.02960	39.2
87.00893	3.9
89.02435	26.1
92.65254	1.7
93.03466	3.3
95.01414	5.7
96.96015	1.9
99.00879	6.2
101.02446	55.9
109.07810	1.5
113.02478	27.2
116.92861	2.3
119.03541	11.2
121.02962	20.6
125.02423	5.6
131.03526	7.0
135.04532	2.2
135.24478	1.4
137.02390	2.7
145.02934	3.1
159.03014	1.9
161.04579	18.7
163.04016	3.5
168.96623	1.5
173.04552	13.4
179.05632	8.6
191.05826	2.7
194.39244	1.5
209.11888	1.7
221.06706	2.3
295.08301	2.5
317.86163	1.9
323.09869	2.6
338.69260	2.0
371.12637	1.6
381.22922	9.8
418.61209	1.8
441.11710	2.0
543.28229	100.0
603.39252	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58318	0.7
55.01664	0.8
55.01886	8.2
57.03457	8.7
58.00629	1.2
59.01386	70.0
62.85032	0.9
67.91768	0.9
69.08665	0.8
71.01385	85.0
72.99318	1.7
73.02945	25.7
83.01398	14.2
85.02953	46.5
85.55672	0.8
87.00894	6.0
88.10212	0.9
89.02441	30.1
89.02939	1.7
92.66218	1.0
95.01405	6.2
97.02972	4.6
99.00900	7.7
101.02450	64.1
107.13256	1.0
111.00908	2.2
113.01706	1.7
113.02459	34.3
119.03498	11.9
125.02430	3.9
131.03506	1.9
143.03511	7.0
159.02968	5.1
161.04553	23.9
179.05641	13.4
198.54089	1.0
209.11830	1.0
216.49117	1.1
220.59329	0.9
221.06660	5.7
244.55228	1.1
263.07718	1.1
303.93216	1.0
323.10001	1.3
350.98035	1.1
381.22879	16.1
467.02603	1.0
543.28223	100.0
544.28406	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.5
57.03465	4.4
57.43689	1.7
59.01389	100.0
59.14373	1.7
61.98841	10.9
64.35515	1.9
70.51225	1.8
71.01382	32.7
73.02964	7.4
75.00935	1.7
79.05548	1.7
81.03480	2.4
83.01410	2.9
83.05038	2.8
85.02972	8.8
85.50748	1.6
87.00868	1.9
89.02459	20.2
91.68758	1.7
93.03467	2.0
96.96017	3.1
97.06596	11.2
101.02467	26.7
109.06615	1.9
109.85030	1.8
113.02454	19.1
119.03469	3.0
125.09723	2.3
149.09706	2.9
149.25600	2.1
151.11287	12.4
153.12720	1.8
155.10826	4.5
161.04581	11.5
163.11316	3.2
165.12828	12.9
179.05559	3.4
181.12296	17.2
191.10797	3.7
209.11882	57.3
227.12997	13.5
245.19084	19.0
253.09401	22.7
263.20187	19.5
279.19702	3.8
289.18106	23.5
307.19183	71.3
370.57944	2.1
376.74954	2.2
445.20950	18.8
543.28149	25.5
595.08789	2.0
603.39117	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	603.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22816	0.3
58.73845	0.3
59.01379	0.5
60.99313	17.0
64.15550	0.3
72.47398	0.3
76.39246	0.3
79.28367	0.3
86.23553	0.3
87.00888	1.5
88.00386	0.6
88.98808	100.0
89.02444	12.0
134.98250	0.3
136.06410	0.4
186.25317	0.4
277.21887	0.4
303.57031	0.4
471.18854	0.4
485.32364	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01933	0.4
60.99316	17.5
77.80651	0.5
82.69408	0.5
84.95114	0.8
88.98808	100.0
89.02440	0.9
92.10110	1.0
102.35423	0.5
312.55524	0.5
471.35184	3.4
601.33716	0.6
621.94208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43145	0.4
53.52557	0.4
54.83548	0.4
61.98834	100.0
92.10128	1.0
107.01659	0.4
111.44613	0.4
119.50047	0.4
151.21852	0.4
361.08618	0.5
428.89407	0.5
538.82361	0.5
568.66266	0.5
630.56152	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83566	0.7
57.03452	1.5
59.01386	8.1
60.99315	4.3
61.98840	5.1
64.54753	0.7
67.01924	16.4
69.03461	4.2
69.18127	0.7
71.01392	8.2
71.12813	0.5
72.84292	0.6
72.99296	0.6
73.02953	1.0
78.95910	0.7
81.03462	4.3
83.05042	4.0
85.02956	7.5
87.00873	18.9
87.30501	0.6
88.98780	1.6
89.02446	1.6
93.03455	100.0
96.96009	3.1
99.00905	3.6
99.04507	0.7
101.02448	1.5
108.02151	0.9
109.02966	3.0
111.00917	0.8
111.04527	13.6
113.02458	2.7
115.04009	0.9
117.03472	2.7
119.05027	52.7
120.05397	0.8
121.02966	17.6
127.03955	1.1
129.01971	3.5
135.04515	1.6
137.02452	3.7
141.40692	0.7
145.02969	7.0
151.00290	0.8
155.03531	3.8
158.46794	0.7
163.04030	27.2
173.04549	21.7
175.03973	0.8
191.05634	83.7
211.07657	2.7
227.03502	1.0
248.73862	0.6
284.03323	1.0
285.04007	1.5
337.09305	4.3
504.24957	0.6
541.00891	0.7
576.33691	3.8
603.17291	67.6
604.17853	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81059	1.6
59.01386	8.3
63.62086	1.6
71.01405	4.4
71.27048	2.2
73.02979	2.3
85.02970	3.8
87.00869	2.6
88.31131	1.7
89.02444	3.5
96.96014	19.7
119.03489	2.5
119.05006	4.6
121.02963	85.0
127.30836	1.8
135.04514	9.9
137.55583	1.8
140.59288	1.7
144.89439	1.8
163.04001	3.3
165.04134	3.1
165.05470	2.8
173.04515	2.2
178.99884	3.1
179.03513	2.2
191.05678	14.7
213.44002	2.2
268.24405	2.1
269.06711	13.9
279.65652	1.8
326.62402	2.0
351.05679	1.8
567.26721	2.9
603.24469	100.0
622.27972	2.1
629.30511	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	601.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31834	0.8
56.61566	0.8
59.01389	100.0
61.98837	1.8
63.42447	0.8
63.69087	0.8
68.99583	8.3
70.22062	0.8
72.99337	1.0
74.52525	0.7
74.71163	0.9
82.95403	1.2
96.96008	4.8
99.00915	1.3
99.40616	1.0
99.50327	0.8
105.52885	0.9
106.05934	1.0
112.98566	6.8
125.09748	3.6
163.11255	1.2
181.12383	2.2
207.10291	7.5
209.11862	27.7
225.11339	18.6
227.12846	1.7
257.14001	10.2
384.65683	1.1
601.37689	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	5.4
61.98839	34.2
64.35153	0.8
72.13187	0.8
75.36063	0.8
80.91683	9.0
82.95439	3.9
96.96010	4.8
131.03902	0.9
159.52118	0.9
168.59601	0.9
173.04689	1.1
271.02435	1.0
287.37708	1.0
313.03561	4.5
407.58511	1.1
485.32797	3.7
519.33319	100.0
520.33875	2.1
534.12054	1.2
554.66156	1.3
586.88550	1.0
601.33765	65.1
602.34094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89936	0.3
55.79578	0.3
59.01395	0.6
61.98844	100.0
70.66813	0.3
84.14518	0.3
93.58498	0.3
96.96054	0.4
134.37164	0.3
161.36563	0.3
219.51778	0.4
291.39737	0.4
296.26819	0.4
333.84055	0.3
555.90503	0.4
599.72687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88121	0.2
59.01400	0.3
61.98851	0.9
70.27090	0.2
70.52893	0.2
75.61453	0.2
78.95918	7.1
79.95755	2.3
81.75735	0.2
83.20562	0.2
94.98143	0.3
96.00914	0.3
96.96024	100.0
96.96931	11.1
167.86057	0.3
230.74805	0.3
279.99518	0.2
284.05533	0.2
295.89667	0.3
311.35760	0.2
450.71753	0.3
503.33908	11.0
504.34213	1.0
505.34387	1.0
601.31567	0.5
603.26904	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
61.98844	0.4
65.42861	0.2
78.95902	6.8
79.95722	1.8
96.96015	100.0
96.96919	9.4
106.87144	0.2
134.37027	0.3
166.25409	0.2
207.10287	0.4
209.11806	1.2
257.35751	0.3
391.30359	0.3
473.25333	0.3
503.33923	12.1
504.34088	1.4
505.34415	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
61.98854	0.3
71.01384	0.6
73.02963	0.2
78.49358	0.1
85.02985	0.3
87.00928	0.1
89.02467	0.3
92.10167	0.3
92.10713	0.4
93.03445	0.2
96.95995	0.2
101.02456	0.2
113.02444	0.2
121.02942	1.7
135.04552	0.1
161.04507	0.1
165.12871	0.2
177.05098	0.2
183.13910	18.7
184.14330	0.2
191.05624	0.2
195.13922	15.5
209.11584	0.1
211.13429	0.6
213.15002	100.0
214.15395	0.6
413.56326	0.2
457.76828	0.1
541.26587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19175	0.8
55.01888	11.8
57.03463	5.1
58.00600	1.1
59.01385	66.5
61.98836	10.3
63.48644	0.9
69.03474	1.1
71.01382	76.5
72.99319	1.7
73.02947	25.9
75.77666	0.9
80.74207	1.0
83.01385	14.9
83.05042	1.2
85.02952	43.1
85.03461	1.5
86.81809	1.1
87.00882	5.2
89.02443	23.8
93.03468	2.1
95.01381	7.8
96.96019	2.3
97.00421	0.9
97.02951	1.3
99.00903	8.2
101.02442	64.6
105.39021	1.0
111.00891	1.1
113.02458	34.4
116.16518	1.0
116.92907	1.8
117.95573	1.4
119.03499	9.4
121.02959	4.4
125.02425	4.3
137.02483	1.1
139.04022	2.1
141.27986	1.0
143.03534	2.1
145.02950	1.1
149.04558	1.1
159.02988	4.1
161.04596	21.5
173.04668	1.8
177.08626	1.2
178.61665	1.0
179.05670	10.8
221.06642	2.0
302.61551	1.0
304.02737	1.1
368.90109	1.3
379.21246	21.3
541.26636	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	601.179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29104	0.4
53.46074	0.3
55.36345	0.3
57.03434	0.4
59.01116	0.6
59.01389	14.7
71.01387	6.7
72.99306	0.4
73.02950	3.9
75.00874	0.5
83.01389	2.5
85.02950	3.1
87.00874	4.0
89.02464	4.0
93.03466	1.9
95.01397	0.6
96.95982	0.7
97.02964	0.5
99.00861	0.6
99.04605	0.5
101.02425	4.9
109.02979	0.8
111.00829	0.6
113.02469	3.8
119.03527	0.8
121.02991	0.5
125.02382	0.5
129.14877	0.5
132.02180	23.3
134.03757	4.2
135.04492	0.4
137.02428	1.0
145.02966	0.5
146.03801	0.7
150.03235	1.7
152.01181	0.9
153.01942	0.6
160.01678	93.3
161.02109	0.7
161.04568	0.6
163.03957	0.5
164.04721	0.7
165.01952	0.9
165.05595	1.9
173.04608	0.5
175.04027	100.0
176.04430	0.5
179.03477	1.6
179.05624	1.0
179.07179	0.7
183.10353	0.7
187.07672	0.6
187.95181	0.5
191.05676	3.5
193.05109	4.0
195.06639	0.7
206.50996	0.4
233.09418	0.5
323.09946	0.6
337.09457	3.2
341.11105	2.2
383.12146	4.7
541.16229	1.9
559.17157	0.9
601.17456	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	601.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32957	0.5
57.92326	0.5
58.02998	0.6
59.01393	5.0
66.73991	0.7
71.01385	5.1
73.02950	1.3
78.95940	0.9
83.01392	0.7
85.02972	3.7
89.02464	1.2
93.03461	8.0
95.01423	1.2
96.96007	2.7
96.96981	3.5
101.02442	2.6
107.05050	1.0
108.02189	99.3
109.02973	30.0
113.02470	2.9
119.03510	0.8
121.02988	2.2
123.00838	0.8
123.04539	1.2
133.02989	3.8
134.03864	0.6
135.04550	1.5
137.02449	7.1
139.04042	1.0
151.03999	2.8
152.01181	75.1
153.01968	24.8
163.04060	0.8
165.01918	1.6
177.01772	0.6
191.05661	3.4
204.33812	0.7
309.11926	1.5
315.07291	100.0
316.07562	0.9
341.08820	0.7
351.07150	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	18.2
61.98854	4.0
69.03481	1.2
71.01405	6.1
72.99305	0.9
73.02968	5.5
75.00884	1.4
78.95953	1.1
83.01399	1.4
85.02982	5.8
87.00899	4.7
88.98821	1.1
89.02469	4.1
93.03470	3.7
96.96017	2.0
97.69342	0.8
100.67276	0.8
101.02453	3.9
108.02192	3.2
109.02978	2.0
111.73203	0.8
113.02479	3.1
115.43665	1.0
119.03519	1.0
121.02969	4.7
125.02442	1.3
129.01970	1.2
132.02193	21.1
134.03726	4.6
135.04509	1.7
137.02477	3.9
152.01169	1.6
153.01901	1.7
160.01686	96.7
161.04601	1.1
173.04646	1.0
175.04031	100.0
191.05669	4.0
193.05057	3.8
225.07730	0.9
337.09332	3.3
341.10904	1.5
383.11938	4.8
541.15112	1.3
542.34467	1.0
559.16547	1.2
601.17816	10.8
601.27374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30993	0.8
53.82883	0.8
59.01393	2.3
61.98838	5.3
65.02474	0.9
78.91894	4.4
80.91695	2.1
82.62458	0.9
84.95119	1.2
85.02923	1.2
86.65653	1.0
93.24622	1.0
96.68420	1.1
96.96022	1.7
99.38550	1.0
104.85658	1.0
121.02905	1.0
123.99960	1.0
350.59631	1.1
469.29715	100.0
470.29971	1.4
487.30667	5.4
488.57794	1.3
517.31805	43.5
551.30084	1.2
569.31390	1.7
599.32178	68.4
600.32446	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85220	1.3
59.01387	100.0
77.50517	1.7
94.70036	1.5
95.88622	1.4
165.30074	1.6
209.11903	12.0
253.28488	1.8
255.23289	24.1
570.85291	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74682	1.7
59.01384	39.7
61.82904	1.8
61.98832	18.6
67.59099	1.5
71.01389	24.4
71.81622	1.7
73.02972	4.2
75.12907	1.9
83.01395	2.8
85.02943	12.8
87.00900	3.1
87.04521	39.5
88.98833	4.4
89.02470	11.4
92.10858	3.0
93.03465	9.4
96.96033	6.9
101.02444	21.8
105.05847	1.7
113.02467	9.9
119.03500	3.4
121.02974	29.1
122.03284	2.5
125.02452	2.0
135.04497	2.9
137.02448	3.8
153.05595	3.1
161.02417	2.1
161.04614	4.1
173.04591	8.4
175.04018	1.7
179.05521	2.7
191.05624	9.7
208.92200	2.0
244.04674	2.1
283.03699	2.4
285.04065	2.1
345.61960	1.9
443.24576	1.9
539.26947	17.1
563.30914	100.0
599.28503	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49504	0.5
59.01403	2.8
61.98854	3.6
64.35090	0.5
69.91134	0.5
78.95909	5.8
79.95753	0.9
92.10802	1.2
96.96014	100.0
96.96917	8.4
121.02992	2.8
123.50560	0.5
258.89380	0.6
389.28735	0.6
501.32452	14.7
503.33191	1.2
599.30103	0.8
611.51630	0.6
611.81635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50484	1.3
59.01395	100.0
69.03474	3.2
70.11578	1.3
73.92421	1.3
95.05090	1.5
96.96022	2.1
97.02986	2.2
97.32372	1.7
99.71472	1.7
109.03922	1.4
113.96952	1.5
116.92898	1.5
123.08192	3.4
125.09689	5.9
137.09718	2.6
141.67383	1.7
161.09738	2.3
163.11307	1.9
179.10803	16.7
185.11862	3.6
205.08514	2.0
207.10292	2.9
209.11861	40.6
209.48550	1.6
223.09851	11.8
225.11275	6.5
227.12930	3.0
255.12448	12.3
423.28214	1.9
489.25055	9.5
491.27332	2.4
507.25742	11.0
525.31531	1.7
546.28442	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	599.2854
Annotation	Scutianine J
Peak:m/z	Relative Intensity
54.82889	9.1
59.01396	74.2
59.57219	7.1
61.98853	67.2
63.29679	7.8
68.16924	8.7
71.01408	48.6
71.51431	6.7
78.81659	8.8
85.02956	13.1
85.47620	7.7
87.00896	11.0
88.98842	20.7
89.02454	15.4
93.03481	46.6
96.96033	13.3
101.02461	16.0
116.05128	10.3
121.02950	82.0
135.04521	13.0
137.02525	11.8
145.02989	33.5
148.38142	8.6
157.42477	8.8
173.04564	33.2
191.05658	39.5
219.71016	9.7
516.54669	10.2
563.30890	14.0
599.28259	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	599.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81972	0.4
59.01401	3.4
59.10176	0.4
60.99318	19.7
61.98844	5.6
67.13268	0.4
71.01409	3.2
72.10474	0.5
73.02959	0.7
78.95924	2.1
85.02982	0.9
88.98818	100.0
89.02447	2.5
93.03479	1.0
96.96020	2.8
97.98804	0.5
101.02449	0.9
109.02983	1.1
111.00893	0.8
113.02478	0.8
117.09014	0.5
119.05045	2.5
121.02937	2.7
135.04543	0.9
137.02443	0.8
145.03004	0.8
152.01146	0.7
155.10750	1.1
170.43593	0.5
173.04527	0.8
182.20535	0.5
185.46112	0.6
185.47841	0.6
191.05597	1.1
201.11284	0.6
207.10138	0.6
225.11320	0.7
243.12386	1.1
277.97174	0.5
375.27493	3.3
376.28067	4.9
377.28229	3.2
539.30658	2.4
553.09589	0.6
561.28802	0.8
599.27600	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	599.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48616	0.9
57.03451	4.6
59.01388	89.5
61.98838	17.0
66.50455	1.0
66.83396	1.3
66.98134	1.2
69.16879	1.1
71.01389	15.4
72.99321	5.5
73.02967	2.1
75.00880	13.9
76.57740	1.2
85.02953	13.7
87.00883	7.2
89.02454	6.8
93.03478	4.5
95.01401	1.2
96.95995	9.9
97.02959	2.4
99.00882	5.3
101.02460	2.8
109.02934	1.2
111.04501	1.2
113.02470	2.6
119.05002	1.8
121.02952	23.2
129.01968	8.6
135.02972	1.2
137.02455	5.3
139.11325	11.8
141.01978	1.8
143.92802	1.2
149.01263	2.4
149.02458	69.4
150.03230	17.9
153.01915	1.3
159.02989	1.6
164.04819	18.4
165.05586	21.4
167.07167	5.2
173.04593	1.3
177.04083	22.0
181.12346	4.8
183.10297	12.6
191.05699	11.0
194.19830	1.3
195.05064	2.2
195.06627	7.0
207.77596	1.0
225.11320	5.7
243.12389	10.7
251.29221	1.4
253.89943	1.2
283.09683	2.6
285.11191	1.7
286.99258	1.2
314.11700	34.5
329.14005	100.0
377.16141	45.0
421.17297	9.0
539.27362	2.8
581.21063	5.4
599.21997	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18873	1.2
59.39116	1.5
82.87291	1.4
82.95422	100.0
84.00913	69.6
84.01406	3.1
84.95123	11.7
155.12943	1.5
193.41478	1.6
239.00420	1.6
253.09264	3.2
277.21786	38.4
347.78519	1.7
535.99524	1.8
569.11072	1.9
579.33075	1.8
598.22900	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	599.22
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76074	1.1
57.03454	11.1
59.01389	38.3
62.84932	1.1
69.03470	5.3
71.01382	23.5
72.99317	4.4
73.02950	2.2
75.00868	36.5
76.58282	1.4
82.52286	1.1
83.01409	2.9
83.26694	1.0
84.02174	1.4
85.02959	24.6
87.00874	16.1
89.02445	6.9
90.02829	1.1
97.02966	6.3
99.00870	10.1
101.02446	5.6
109.02972	1.9
111.00890	2.2
115.00375	1.6
115.03981	1.3
119.05087	1.9
121.02953	25.5
129.01956	22.1
135.04518	1.2
137.02438	1.0
139.11304	23.9
139.94818	1.2
141.01942	1.7
159.02995	5.8
163.11249	1.4
175.70053	1.2
177.04068	64.9
181.12337	11.7
183.08678	1.4
183.10269	29.0
189.03743	1.2
191.05621	5.7
195.05103	8.1
195.06657	1.6
199.13426	4.8
225.11378	10.9
237.04121	1.5
240.58267	1.1
243.12401	18.8
243.34468	1.1
249.11255	1.6
285.13461	2.1
343.43170	1.3
361.15161	2.7
366.58063	1.4
381.07434	1.4
403.16269	7.3
421.17157	5.8
523.19934	1.7
581.21100	20.6
599.22046	100.0
600.22479	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82835	32.9
56.86512	22.6
59.54454	26.9
66.23026	22.6
73.89001	26.4
81.74213	26.3
93.88526	23.8
116.92879	100.0
122.09480	31.9
145.10558	30.1
260.71707	29.6
366.91800	29.4
399.59201	30.6
597.41669	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62008	55.1
74.86131	71.8
99.76838	73.3
125.62136	75.1
131.62834	67.6
149.14630	80.3
160.42139	76.1
523.46704	84.2
533.44147	96.1
591.77698	97.7
620.06110	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	598.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42126	0.2
59.01392	1.6
59.32354	0.2
61.98836	100.0
71.01386	0.9
71.66524	0.2
85.02980	0.9
92.05017	0.2
93.03486	0.3
96.95999	0.3
101.02457	0.5
121.02959	15.4
122.03297	7.8
123.03447	2.3
135.04535	0.3
163.32213	0.2
173.04576	0.2
191.05582	0.3
199.21985	0.2
201.11320	2.7
202.11650	1.1
212.01521	0.2
219.72639	0.2
229.50560	0.2
232.36667	0.2
260.77490	0.3
363.63800	0.2
399.23880	0.4
400.24387	0.4
535.31519	1.2
598.27924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	60.0
60.18954	2.7
61.98846	27.6
62.33720	2.9
67.47169	2.8
69.03492	2.6
71.01386	26.3
73.02960	6.9
75.00878	6.0
83.01432	3.8
85.02979	7.6
87.81405	3.0
88.98827	5.1
89.02450	20.5
93.03464	7.8
96.96024	21.4
99.00896	3.4
101.02456	25.1
113.02457	19.4
116.89387	3.4
117.03471	6.8
119.03445	3.8
119.05016	15.2
121.02958	100.0
132.31738	3.1
133.06633	23.3
134.03719	13.1
135.04527	21.2
145.02925	28.3
146.53549	3.2
149.06012	4.0
152.01093	4.1
160.01683	26.4
163.04056	3.3
171.10291	6.5
173.04596	11.6
173.06036	5.5
175.04030	29.9
185.05994	4.3
191.05580	7.3
191.07219	3.5
193.05016	16.9
201.11334	16.1
215.07089	6.3
217.18997	3.1
233.08116	5.1
235.06133	13.5
250.34888	3.6
255.03001	5.5
256.03391	3.5
257.03516	3.5
258.03891	3.3
285.03610	5.5
286.04037	6.9
287.04449	6.6
288.04700	4.2
295.08380	4.3
375.66531	3.6
381.22977	7.1
399.23843	15.7
467.96725	3.3
543.15265	22.0
561.29828	81.5
597.14185	18.4
597.26715	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00124	0.4
54.83319	0.4
55.66578	0.4
59.01394	100.0
60.01728	0.8
61.98842	5.5
71.01397	2.3
75.00904	0.5
77.79935	0.4
85.02962	0.4
87.00906	0.5
88.98799	0.9
93.03461	1.0
96.96027	0.7
104.59712	0.5
113.02502	0.5
121.02961	4.3
135.04514	1.1
137.02483	0.4
160.01593	0.5
163.04047	0.5
176.74725	0.5
191.05562	0.7
212.68396	0.5
239.14186	0.5
317.66092	0.5
328.11227	0.5
338.83505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35157	0.2
59.73199	0.2
61.98835	100.0
65.04736	0.2
69.11612	0.2
74.59836	0.2
74.64539	0.2
78.95898	1.2
114.39290	0.2
120.35275	0.2
122.79333	0.3
152.99599	1.1
191.05711	0.3
280.23785	0.4
422.43787	0.3
536.35742	0.4
596.29285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77342	0.2
52.41820	0.2
52.72090	0.2
54.82816	0.2
58.70580	0.2
59.01390	1.5
59.16429	0.2
71.01383	1.6
73.02945	2.6
76.42847	0.2
85.02949	0.4
87.00887	0.9
89.02447	0.4
93.03452	0.3
96.96011	1.0
101.02448	0.7
103.04030	0.8
121.02964	100.0
122.03296	0.9
131.07047	0.2
131.95586	0.2
147.02982	0.4
173.04619	0.3
177.04131	0.3
191.05690	1.7
210.45476	0.2
237.88655	0.2
248.04851	0.2
269.06729	13.9
270.06976	0.3
293.12421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.363
Annotation	Methylanhydrovilangin
Peak:m/z	Relative Intensity
59.01386	2.9
85.19572	1.2
129.38940	1.3
139.86082	1.2
149.73906	1.5
155.47449	1.4
161.56755	1.3
163.26187	1.3
200.53868	1.2
244.90399	1.2
295.26440	1.7
453.33832	11.1
513.35956	100.0
557.82245	1.3
595.36212	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67361	0.3
54.04180	0.3
55.00065	0.3
55.01875	0.4
57.03471	0.6
59.01392	100.0
60.01748	0.4
61.75782	0.3
71.01385	6.5
72.99336	0.5
73.02948	1.5
75.00873	1.7
77.46473	0.3
83.01414	0.7
84.98534	0.4
85.02955	3.7
87.00896	1.9
89.02460	2.4
93.03461	6.5
96.03786	0.4
99.00861	0.6
101.02425	2.9
108.13467	0.3
109.02965	2.4
111.04482	0.6
113.02452	0.7
115.00390	1.7
119.03533	0.5
119.05036	1.9
121.02966	13.4
122.03313	1.4
132.04631	0.6
134.06163	0.4
135.04524	2.8
137.02460	7.1
143.06268	0.4
149.02438	0.5
159.04573	0.5
161.02451	0.6
162.03239	1.3
165.05583	3.2
173.04515	2.0
177.04134	0.8
177.05569	3.6
179.05730	0.5
180.04259	0.4
191.05624	6.6
207.06522	0.5
221.04431	0.5
237.03976	1.5
239.05672	1.6
240.04266	1.6
241.04428	0.5
289.02466	0.4
289.05621	0.4
401.11703	2.3
401.61761	0.5
503.16824	1.6
505.13846	1.5
535.19934	0.5
535.27509	1.8
559.41516	0.5
595.20642	1.5
595.35370	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	595.35
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99163	0.6
55.01896	3.3
57.03465	3.8
59.01388	100.0
61.98845	4.6
65.87295	0.7
69.03494	0.8
71.01385	28.2
72.01738	0.8
72.99326	3.7
73.02949	9.5
74.42872	0.9
75.00867	11.0
80.25702	0.7
81.03471	0.8
83.01416	3.9
83.05035	1.0
85.02954	17.1
87.00914	5.1
89.02457	10.9
90.57637	0.7
93.03480	1.8
95.01406	1.6
96.96050	4.6
99.00916	4.6
101.02449	21.5
107.05029	1.0
109.02998	1.7
113.02432	11.2
117.50954	1.0
119.03492	3.0
119.05074	1.4
120.03202	0.8
121.02973	4.0
129.01965	3.3
135.03004	1.3
135.04512	1.0
137.02435	1.4
143.03500	0.8
152.01138	0.8
159.02956	1.1
161.04550	6.1
163.03999	1.0
177.04065	9.3
179.05627	1.3
188.95265	0.9
191.05695	6.9
195.05148	0.9
227.14552	0.9
287.12680	0.8
319.02942	0.8
361.25311	1.4
373.22321	5.3
377.28622	0.9
405.95914	0.9
407.29852	3.2
417.21335	3.5
453.30322	1.1
469.29758	1.2
515.30432	6.7
535.33594	83.9
536.32739	1.5
546.99915	1.0
555.28656	0.9
559.24316	1.5
595.16956	1.4
595.26086	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	595.2898
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
61.98849	1.8
62.13820	1.4
70.13853	1.5
78.95902	73.7
92.10728	1.9
96.96967	13.2
102.00124	1.6
152.98354	3.3
152.99602	100.0
156.37593	1.7
165.24580	1.6
212.31140	1.7
223.00200	9.8
241.01239	26.5
279.23331	89.4
292.54016	1.7
315.04971	10.0
388.59549	1.8
471.34738	2.1
595.29034	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	7.4
57.03455	6.2
58.00592	0.8
58.99996	0.9
59.01386	100.0
61.98857	1.0
68.88025	0.7
69.03461	1.5
71.01382	49.0
72.99310	1.4
73.02946	19.2
75.00876	9.3
79.83809	0.7
83.01393	8.2
85.02953	27.5
87.00895	4.4
88.62439	0.8
88.98833	1.0
89.02442	18.0
89.02930	1.0
93.03450	1.0
95.01395	3.3
97.02972	1.6
99.00871	6.5
101.02446	40.7
101.03098	1.6
107.05046	3.8
108.02177	0.8
111.00901	0.9
111.24350	0.8
113.02459	20.7
119.03509	3.5
121.02965	5.3
125.02451	0.9
129.01967	1.6
131.03537	1.0
135.04538	1.4
141.01930	1.1
143.03493	1.6
144.26910	1.0
159.02998	3.6
161.04568	14.4
177.04068	6.7
179.05595	1.3
191.05635	4.4
195.05132	1.7
223.06259	0.9
335.23788	3.5
373.22369	16.6
387.41620	0.8
391.25998	0.9
407.29623	4.3
417.21246	1.6
451.38104	0.8
469.29761	4.1
487.30676	1.1
515.30200	7.4
535.27118	55.7
535.32971	82.2
595.17639	1.6
595.26129	10.5
595.34723	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	595.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11983	0.1
59.01380	0.9
61.29423	0.1
66.16013	0.1
71.01382	17.5
71.39438	0.1
74.68241	0.1
85.53468	0.1
93.03445	0.2
101.02438	0.2
114.99551	0.2
115.00378	9.0
121.02959	100.0
122.03310	0.3
135.02980	0.1
147.04564	0.3
191.05656	0.1
231.04269	0.2
237.04094	11.1
238.04439	0.1
332.03070	0.2
535.27869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82817	0.4
59.01389	100.0
61.98837	16.6
71.01393	1.6
78.95914	0.5
85.02974	0.6
89.69760	0.4
93.03463	0.6
101.02472	0.6
121.02962	2.2
145.02975	0.4
160.01753	0.5
175.39688	0.4
191.05653	0.9
227.03499	2.7
229.05052	0.5
247.57083	0.5
255.03067	3.8
284.03275	3.0
285.04108	3.9
353.48157	0.4
370.76218	0.5
448.56528	0.4
533.31140	2.1
593.12640	1.3
593.28461	0.7
593.37506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
61.98841	14.4
66.86067	0.4
71.01395	1.8
73.23114	0.4
85.02998	0.5
88.98792	0.5
89.02437	0.7
93.03464	1.8
94.42662	0.4
119.05018	0.5
121.02953	2.1
135.04518	0.9
168.82040	0.4
173.04578	0.5
191.05592	1.0
191.55051	0.4
209.11859	0.6
220.88548	0.6
227.03531	2.9
255.02910	3.2
265.61392	0.5
284.03271	3.0
285.03992	2.9
533.31104	2.2
577.96967	0.5
593.13214	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28938	0.8
59.01394	3.5
61.98836	100.0
75.26907	0.9
78.74498	0.8
78.95905	24.1
88.98821	0.9
89.02457	0.9
91.84512	0.8
96.96979	5.1
97.60407	0.8
127.16660	0.9
129.07849	0.8
152.99597	25.0
153.99934	1.9
189.08203	0.9
223.00093	3.9
223.13380	1.0
241.01218	7.2
242.01454	0.9
277.21838	7.2
278.22171	14.1
315.04865	3.5
359.18494	0.9
534.34894	2.0
594.27887	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.4
57.53762	0.3
59.01108	0.8
59.01388	17.2
64.34750	0.4
71.01385	22.6
72.99337	0.6
73.02965	0.7
74.27875	0.3
75.00881	0.8
75.70383	0.3
76.23122	0.3
76.62197	0.4
85.02949	2.9
87.00897	0.6
89.02444	7.6
89.56043	0.4
93.03457	0.9
96.96011	0.5
101.02450	3.7
113.02451	3.3
115.00374	9.0
119.03512	2.6
119.05026	0.9
121.02958	100.0
135.04533	0.4
147.04549	0.5
163.04106	0.5
165.05664	0.5
177.05603	0.6
179.05692	0.5
184.42781	0.4
191.05606	2.0
192.05927	0.5
194.03566	0.4
237.04047	8.9
277.24857	0.4
306.55197	0.4
306.58655	0.4
437.43402	0.5
535.27740	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	593.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67593	0.9
53.79444	0.8
59.01390	100.0
61.98846	7.8
62.01297	1.1
71.01402	2.1
75.00903	4.0
78.95919	1.6
85.02966	1.1
86.00058	1.0
96.95991	1.5
116.92885	1.3
119.35355	1.1
121.02995	1.7
122.05783	1.1
135.04538	1.4
160.01791	1.2
191.05678	1.2
199.68858	1.2
227.03618	2.0
255.03052	6.0
284.03247	3.9
285.03882	2.0
338.82446	1.4
409.15756	1.1
458.25079	1.1
467.31793	1.8
519.28979	2.4
593.13531	1.3
593.28424	1.4
593.37012	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	593.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98845	4.2
71.01420	0.8
73.02976	0.5
75.00888	2.9
76.89834	0.5
85.02945	0.6
92.10137	1.7
93.03472	0.6
101.02467	0.5
112.91326	0.5
116.92866	0.9
121.02957	0.8
125.02403	0.5
155.32445	0.5
159.20454	0.5
160.01665	0.5
175.04027	0.5
183.04604	0.5
191.05548	0.6
213.32396	0.5
227.03508	2.8
255.03003	3.3
284.03305	1.1
285.04059	0.9
390.49704	0.7
467.31647	0.9
483.31180	0.6
533.35638	1.6
593.13287	1.1
593.23486	0.5
593.36963	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	593.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	2.2
59.01387	30.4
60.06156	0.4
61.98837	3.3
62.02837	0.4
71.35329	0.4
72.12631	0.4
72.99300	0.5
73.02946	3.7
77.76019	0.4
82.95467	0.4
93.03470	3.3
94.65489	0.4
116.92884	0.4
143.76801	0.4
162.05171	0.5
173.99031	0.5
189.12900	0.6
265.12308	0.5
310.57513	0.6
375.23199	0.8
393.27808	0.7
405.28018	2.0
417.27954	1.9
425.30753	2.6
431.29425	0.9
432.26706	0.8
434.28311	2.5
437.30627	3.3
439.31702	0.6
447.29315	1.7
449.30676	21.5
450.27649	0.7
451.28653	0.9
453.29855	0.8
455.31470	3.6
465.30075	6.0
466.20825	0.6
466.27283	10.6
467.31778	12.4
483.31351	0.9
485.32825	9.0
503.33505	3.3
533.34943	100.0
534.35553	1.0
593.36981	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.8
60.99316	17.3
61.98841	0.3
63.79239	0.4
66.63665	0.3
68.08798	0.3
72.99308	0.4
87.00887	0.5
88.00384	1.5
88.98809	100.0
89.02444	6.3
92.10838	0.8
105.37537	0.3
111.03815	0.3
116.05056	0.3
126.03763	0.3
142.88910	0.3
214.02332	0.3
257.36877	0.4
257.92548	0.4
359.52048	0.4
453.30020	0.5
503.33804	0.7
520.63733	0.4
581.35803	0.4
590.32629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24737	0.3
51.89851	0.3
55.02203	0.4
59.01387	2.8
60.99315	16.9
61.98835	2.3
72.25732	0.5
75.00870	1.0
78.95885	0.5
82.64709	0.4
87.00883	0.5
88.00400	1.8
88.98809	100.0
89.02454	5.4
90.25775	0.4
99.05268	0.5
104.56000	0.4
121.02982	7.9
186.80176	0.5
209.04622	1.1
254.49104	0.4
287.18677	0.5
288.68326	0.4
302.42120	0.5
318.25281	0.6
503.33652	2.8
533.34973	1.0
536.19171	0.5
593.14099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
61.98853	2.6
67.34500	0.6
69.07294	0.5
88.98835	3.1
111.50060	0.5
116.92930	0.7
120.42212	0.6
121.02955	0.8
141.89333	0.6
199.30009	0.7
285.50735	0.7
398.47321	0.6
507.41013	0.6
533.34326	4.4
593.37054	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	593.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.7
57.03458	2.1
59.01387	100.0
61.98832	8.6
63.65026	1.0
71.01385	46.6
72.99316	4.7
73.02942	15.0
75.00880	1.7
82.95425	2.0
83.01395	4.5
84.95176	1.2
85.02954	13.0
87.00893	4.8
88.98795	6.1
89.02445	48.6
93.03458	6.8
96.96012	1.4
97.02937	1.7
99.00898	17.0
100.01220	1.2
101.02448	26.7
108.02176	1.8
109.02971	3.0
113.02439	15.8
117.03441	2.3
118.17157	1.2
119.03490	6.3
119.05065	4.1
121.02972	9.0
125.02411	2.6
131.03502	7.8
135.04486	1.7
145.02965	7.3
149.04570	9.5
152.01183	5.0
161.04582	1.9
173.04611	2.3
191.05641	8.8
200.54443	1.2
211.07965	1.4
227.03557	10.8
251.07738	1.3
255.02998	13.6
271.02466	2.4
284.03348	12.8
285.03973	11.6
306.17145	1.6
371.24219	1.7
401.25470	11.5
533.29462	77.9
593.12897	7.9
593.26642	1.4
614.56555	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.5
56.03232	1.5
57.03463	7.8
59.01387	100.0
61.98836	49.1
71.01382	48.1
71.01723	2.4
73.02939	17.4
82.95446	2.9
83.01418	9.7
85.02951	30.2
87.00907	3.3
89.02450	14.7
92.65453	1.8
93.03460	9.9
95.01374	2.8
99.00906	10.7
101.02450	54.9
111.38751	2.0
113.02464	22.5
117.03493	1.9
119.03552	3.3
119.05087	2.8
121.02961	15.5
131.03506	20.2
132.00911	1.7
132.02133	2.0
135.04489	3.0
137.02512	2.5
145.02957	6.8
159.03043	2.7
160.01732	1.7
161.04604	10.8
173.04596	11.4
191.05673	7.6
227.03580	8.2
255.03110	9.3
284.03354	9.2
285.04077	9.4
328.96603	1.8
371.28174	2.1
401.25555	97.5
533.33295	19.8
593.13513	2.7
593.29962	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.5
56.03232	1.5
57.03463	7.8
59.01387	100.0
61.98836	49.1
71.01382	48.1
71.01723	2.4
73.02939	17.4
82.95446	2.9
83.01418	9.7
85.02951	30.2
87.00907	3.3
89.02450	14.7
92.65453	1.8
93.03460	9.9
95.01374	2.8
99.00906	10.7
101.02450	54.9
111.38751	2.0
113.02464	22.5
117.03493	1.9
119.03552	3.3
119.05087	2.8
121.02961	15.5
131.03506	20.2
132.00911	1.7
132.02133	2.0
135.04489	3.0
137.02512	2.5
145.02957	6.8
159.03043	2.7
160.01732	1.7
161.04604	10.8
173.04596	11.4
191.05673	7.6
227.03580	8.2
255.03110	9.3
284.03354	9.2
285.04077	9.4
328.96603	1.8
371.28174	2.1
401.25555	97.5
533.33295	19.8
593.13513	2.7
593.29962	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	16.2
61.98840	6.8
75.00880	5.2
78.95908	85.2
78.96320	4.5
88.98863	3.5
92.10736	3.5
96.96969	19.1
124.49821	3.7
152.99593	63.8
214.11800	2.9
241.01244	28.4
246.14096	3.4
277.21783	55.1
281.88919	3.1
315.04947	5.3
413.20926	3.4
533.34564	4.4
593.27502	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	593.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.6
61.98838	1.8
70.02962	0.7
75.00880	0.7
78.95905	76.2
92.66272	0.7
96.96972	13.8
97.06718	0.8
116.92887	0.8
120.99507	0.8
130.04185	0.8
136.29626	0.8
150.98022	1.0
152.99606	100.0
153.23430	0.8
171.00616	3.9
223.00169	12.9
240.98720	1.1
241.01201	27.8
255.03200	0.9
277.21759	60.7
315.05020	10.2
333.05972	1.2
378.48514	1.0
533.34705	0.8
593.27441	93.6
594.27820	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28746	0.7
56.78677	0.7
59.01392	4.5
61.98855	1.2
74.02567	0.6
75.65685	0.7
78.95902	85.7
92.10145	1.5
96.96967	15.9
99.32449	0.9
150.98058	1.5
152.99599	99.8
171.00653	2.0
223.00130	13.1
229.36798	0.9
241.01210	31.1
259.02274	1.4
277.21762	78.7
315.04907	13.7
573.18994	0.8
593.27484	100.0
594.27301	1.0
619.25812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01048	0.5
53.10958	0.4
55.01884	1.1
55.95837	0.4
57.03465	2.4
58.00613	2.0
59.01388	100.0
71.01385	41.1
72.99332	3.4
73.02962	3.2
73.55154	0.5
75.00864	3.9
83.01418	1.2
85.02955	12.5
87.00892	2.2
89.02445	46.7
90.52581	0.5
92.10146	0.7
93.03455	6.0
95.01401	3.3
99.00885	1.9
101.02446	22.5
109.02958	2.7
113.02451	16.0
114.99697	0.6
115.00380	5.6
119.03503	17.9
119.05044	2.9
121.02995	1.9
127.04008	0.7
129.03522	0.5
131.03468	0.8
131.04987	0.8
133.01443	7.5
135.03024	7.4
143.03510	3.0
143.05060	2.9
145.02927	0.7
146.03725	2.4
147.04536	5.4
149.04593	2.5
161.04556	4.7
163.03992	1.0
165.04060	1.9
173.04561	0.5
179.05632	12.8
187.09666	0.6
191.05623	20.1
192.06030	0.9
193.88742	0.5
211.07668	0.9
211.82426	0.5
230.62503	0.5
231.08867	0.5
251.07117	4.8
253.08786	6.5
265.08676	1.3
279.06592	2.4
285.04053	0.9
318.05719	2.8
323.05701	9.2
327.08847	6.1
371.05194	0.6
399.08203	2.3
399.58618	0.7
400.05975	1.0
401.06647	1.2
415.10022	0.8
453.54285	0.6
459.09354	2.8
533.26154	34.1
563.12396	0.6
593.15234	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	10.8
55.31806	0.8
57.03463	6.1
58.00590	0.9
59.01384	51.9
69.03471	1.0
71.01382	65.8
71.05035	4.6
71.75281	0.8
72.99303	1.2
73.02941	23.3
73.03307	1.3
75.00881	1.0
83.01400	15.5
85.02950	37.1
87.00895	2.1
88.89989	0.8
89.02460	11.1
95.01369	7.0
96.96012	1.9
97.02976	1.4
99.00864	10.7
99.04537	1.1
101.02438	54.9
101.06108	1.1
113.02448	25.3
117.05575	27.7
119.03492	1.5
119.04987	1.3
121.90366	1.0
127.62794	0.9
135.03030	1.0
149.17825	1.0
151.18117	0.9
159.02985	3.8
161.04570	22.4
191.05687	2.2
202.56526	0.9
225.53279	1.0
249.50984	0.9
269.10324	16.9
279.10861	35.6
280.11230	5.4
313.09351	100.0
528.17590	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.87867	6.4
61.98840	55.8
71.01380	8.0
72.99328	33.5
75.00896	14.5
77.41020	6.1
86.08021	5.9
87.54977	6.5
93.03443	7.0
96.96075	6.9
103.06936	7.7
120.38333	6.8
121.02972	32.2
135.04533	9.5
183.14043	8.4
209.11903	8.7
285.04092	14.2
344.46909	7.2
519.33167	46.7
568.62921	9.4
593.13574	8.1
593.25775	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	593.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07651	0.4
55.85802	0.5
59.01386	8.7
60.22173	0.4
71.01379	9.0
73.02962	0.9
75.00877	1.0
85.02965	1.9
86.94400	0.5
87.00877	0.6
89.02446	4.9
91.05573	0.7
93.03454	27.2
96.96030	2.7
96.99320	3.8
101.02477	4.8
108.02231	0.9
109.46635	0.6
113.02489	1.3
115.00365	1.3
115.45719	0.5
117.03470	4.8
119.03572	1.1
119.05030	41.6
121.02951	13.6
123.04536	2.2
130.04253	3.2
131.05019	8.5
132.05852	1.2
133.02960	1.1
133.06630	2.6
135.04588	4.1
143.05048	12.4
145.02965	5.6
145.06601	9.2
147.04572	1.3
158.03770	0.8
159.04526	2.8
161.04613	0.6
163.04016	14.9
171.04553	7.0
177.05594	6.7
179.05594	3.0
193.06746	0.9
195.08247	0.9
197.06117	2.9
202.98175	0.6
206.02171	0.6
209.06082	0.8
210.06911	16.9
210.08730	1.1
211.07687	56.4
215.03596	0.8
219.08154	5.2
222.06870	3.2
223.07713	9.4
227.03642	0.9
228.02719	0.6
229.05028	0.6
235.07675	11.8
236.08458	3.7
237.09247	58.7
238.09926	2.4
239.10812	10.2
247.07704	1.1
250.06465	1.3
253.08694	4.7
255.03021	1.0
263.07172	3.9
264.07938	7.1
265.08752	19.3
283.09729	0.9
284.03204	0.9
285.04062	2.9
308.06961	0.8
309.07657	0.9
334.91193	0.6
593.16815	100.0
593.30493	4.4
594.17181	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	593.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60262	0.2
55.01916	0.3
55.65084	0.2
59.01394	6.3
61.98846	0.3
64.34610	0.2
71.01395	3.9
72.99317	0.4
73.02950	3.0
75.00867	2.6
77.03962	0.2
85.02978	2.0
87.00884	1.4
89.02449	3.2
93.03466	1.4
96.96006	1.2
99.00859	0.4
101.02445	2.4
103.04049	0.4
103.92039	0.3
106.08205	0.3
113.02463	0.6
113.49254	0.2
115.00373	0.3
116.92856	0.3
119.03522	1.0
119.05043	3.1
121.02962	100.0
122.03344	0.3
126.81009	0.3
129.01971	0.5
131.07191	0.2
135.03020	2.5
135.04543	1.3
137.02425	0.3
161.02376	0.3
163.03998	2.3
165.04042	1.4
173.04564	0.3
177.04015	0.5
179.05627	1.4
191.05621	3.4
191.07201	0.6
237.09210	0.3
239.05614	0.5
244.96812	0.3
269.06708	14.0
299.07770	2.8
309.07999	0.3
323.13498	2.0
327.08820	1.8
522.73254	0.3
547.42352	0.3
593.15967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1523
Annotation	Datiscin
Peak:m/z	Relative Intensity
58.46601	0.2
59.01394	0.7
60.34998	0.1
63.02396	0.4
65.00338	0.2
71.01411	0.4
81.43613	0.2
83.01374	0.2
91.01909	0.3
93.03453	2.8
107.01392	2.2
108.02164	0.2
109.02981	1.2
117.03461	0.7
118.10066	0.2
119.01418	0.3
121.02956	0.3
130.04199	0.2
131.05011	0.3
135.00932	1.8
141.07193	0.2
143.05029	1.8
145.02998	0.2
145.06659	0.2
151.00389	0.4
153.01945	0.7
154.04265	0.4
155.04988	0.4
157.06593	1.6
159.04533	2.9
163.00395	3.5
165.01964	0.4
167.05048	0.8
169.06564	1.3
171.04553	0.9
173.02473	0.3
173.06047	0.3
181.07072	0.2
182.03830	0.2
183.04532	0.8
184.05331	0.3
185.06084	4.6
187.04051	5.3
189.05583	1.9
195.04547	1.2
197.06200	1.8
198.03249	0.3
199.04117	1.3
201.05566	1.3
211.04057	3.7
212.04781	0.9
213.05612	4.0
214.02792	0.8
215.03577	0.9
223.04099	0.3
227.03549	7.5
229.05098	21.2
239.03561	2.6
240.04250	1.8
241.05099	2.3
243.03046	0.8
255.03044	7.1
256.03812	2.0
257.04587	10.4
258.05029	0.2
267.03058	1.5
284.03311	5.3
285.04092	100.0
286.04376	1.3
593.15283	23.2
594.15649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1525
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.01892	2.1
57.03463	0.8
59.01397	9.1
63.02419	0.5
65.00335	0.7
71.01384	11.2
72.29778	0.5
73.02946	5.0
74.07757	0.5
75.39962	0.5
82.27204	0.6
83.01409	2.3
85.02962	6.3
85.20316	0.5
89.02451	4.2
91.01902	0.7
93.03452	1.3
95.01387	0.7
99.00874	1.3
101.02436	9.8
107.01380	4.0
109.02988	1.0
113.02473	5.4
119.03494	2.2
132.02104	0.6
135.00879	2.7
137.29323	0.6
143.05022	1.3
151.00381	2.9
159.04501	2.5
161.04582	3.0
163.00360	3.9
164.01175	0.8
167.05025	0.8
169.06642	1.1
178.99852	0.8
179.05692	0.9
183.04553	0.9
184.05325	0.7
185.06085	3.5
187.04082	5.8
189.05585	2.5
197.06145	1.2
199.04045	2.6
200.04680	0.6
201.05705	0.9
211.04082	5.6
213.05623	2.7
214.02660	0.9
215.03510	0.7
227.03540	57.1
228.03954	0.6
229.05081	18.3
239.03510	3.3
240.04309	1.0
241.05054	1.3
255.03026	90.1
256.03784	6.1
257.04593	9.7
267.03073	0.9
284.03296	90.2
285.04080	100.0
286.04321	2.3
371.20795	5.0
533.26080	21.5
541.65643	0.6
593.15259	83.5
594.15405	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	593.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97805	0.5
63.02402	1.1
65.00337	0.6
67.75097	0.6
73.58075	0.5
81.80243	0.6
83.01416	1.0
86.74290	0.6
92.10136	1.4
92.66021	0.7
93.03467	1.1
96.50717	0.6
107.01426	5.7
109.02974	1.3
117.03454	5.9
119.05023	5.7
132.02194	0.9
135.00891	1.5
137.02444	1.0
143.05061	1.0
145.02983	19.2
151.00363	6.4
151.77417	0.7
159.04530	1.4
161.06107	0.9
163.00401	3.2
163.04019	3.4
164.01212	0.9
167.05026	0.7
169.06532	0.9
178.99849	0.7
185.06090	3.0
187.04028	4.6
199.04012	1.0
200.04849	1.0
211.03998	4.7
212.04805	0.7
213.05640	1.3
227.03545	58.4
228.04059	0.8
229.05136	13.0
239.03619	1.5
241.05006	1.4
255.03018	100.0
256.03772	11.0
257.04654	8.0
267.02969	1.1
284.03293	98.2
285.04089	86.6
285.07449	1.0
304.05725	0.7
307.08304	2.9
323.22711	0.7
394.80750	0.7
447.09366	2.6
593.13165	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1315
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
56.77464	0.5
59.59215	0.5
62.49796	0.5
65.00343	0.7
83.01408	0.8
93.03475	2.1
101.02419	0.5
107.01402	5.7
110.83398	0.5
117.03485	5.4
119.05025	5.7
131.05095	0.7
132.02237	1.2
135.00923	0.7
143.05034	1.0
145.02968	19.4
151.00366	8.1
157.06589	1.1
159.04535	1.1
163.00447	3.0
163.04144	4.2
164.01187	0.6
165.01888	0.6
169.06561	1.4
171.04567	0.8
183.04510	1.2
185.06136	4.5
187.04070	4.1
189.05743	1.0
194.53073	0.6
195.04616	0.8
197.06049	1.1
199.04076	1.2
208.27408	0.6
211.04041	5.3
213.05637	3.0
227.03552	69.0
228.03993	2.2
229.05077	14.3
239.03491	2.8
240.04326	0.9
241.05080	1.3
255.03027	97.5
256.03778	11.6
257.04633	11.1
267.02975	0.8
283.02747	0.7
284.03305	99.6
285.04095	100.0
307.08325	3.4
447.09384	2.3
593.13165	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.1
60.99324	0.4
61.98841	2.0
63.45516	0.2
69.03490	0.2
78.93199	0.2
83.57829	0.2
88.98804	3.5
92.10796	0.6
93.03487	0.3
120.02164	1.0
121.02956	100.0
122.03337	0.3
165.01949	2.9
180.05815	0.9
181.06583	3.2
191.05492	0.2
197.06094	2.7
207.04530	0.9
207.08160	0.3
209.04584	32.1
225.05641	2.3
251.07288	0.3
257.09888	0.4
275.88382	0.2
313.07245	1.2
357.06284	0.8
383.07535	0.7
417.09872	0.9
433.93323	0.2
505.11349	2.1
549.10559	5.2
593.13074	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	593.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74938	0.4
59.01386	0.5
63.02430	0.7
65.00329	0.7
75.88026	0.5
76.57259	0.5
82.14552	0.6
93.03493	2.1
97.72783	0.5
104.01631	0.7
107.01417	4.8
109.03022	0.9
117.03465	6.4
119.05011	5.0
132.02153	1.2
135.00925	3.4
143.05060	0.9
145.02979	20.5
151.00385	5.7
153.01926	0.6
154.04234	0.6
157.06659	1.1
159.04497	1.8
163.00381	3.3
163.04037	2.9
164.01201	2.0
167.05026	0.5
169.01419	0.5
169.06586	1.1
171.04527	0.7
183.04626	1.0
185.06111	5.0
187.04045	5.1
189.05554	1.0
191.24715	0.5
195.04593	0.7
197.06133	0.6
199.04048	2.9
200.04832	1.0
211.04024	4.3
213.05611	3.2
215.03606	0.6
227.03548	57.7
228.04045	1.9
229.05078	13.9
239.03621	3.7
240.04128	1.1
241.05049	2.2
247.14589	0.5
255.03029	99.4
256.03775	11.1
257.04599	9.6
267.02963	1.5
283.02420	0.6
284.03305	100.0
285.04083	95.6
307.08319	3.5
447.09387	3.2
499.93945	0.5
593.13110	77.8
594.13428	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31955	2.5
57.03457	4.5
59.01384	34.0
61.98838	41.1
63.33080	3.1
66.32365	2.9
68.75031	2.9
72.17791	2.6
74.63646	2.6
78.95930	12.0
85.02980	3.3
94.03305	2.9
102.66985	3.3
113.09709	22.4
139.11272	2.9
152.99609	3.9
167.10719	3.4
293.21292	100.0
307.23016	6.9
417.46890	3.5
518.28906	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88090	3.4
57.70568	3.6
59.01383	55.6
61.77940	4.3
61.98838	46.8
64.33923	4.4
66.40072	3.3
71.01393	5.8
78.95902	24.2
79.42586	3.7
109.28688	4.2
111.84898	4.0
150.71234	4.4
191.05554	5.1
195.14023	8.3
213.49866	4.1
223.13396	5.1
224.07066	8.0
224.87679	4.1
225.27390	4.4
235.17111	10.3
275.20132	21.6
293.21246	93.3
518.28949	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	591.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78482	0.7
59.01388	100.0
61.98848	3.6
64.59776	0.7
70.57146	0.8
71.01399	1.0
79.44402	0.8
96.96029	1.5
101.98643	0.8
121.02927	1.6
148.63362	0.7
149.10211	0.8
191.05649	0.8
225.62569	0.9
233.82777	0.9
318.21606	0.9
344.03360	1.0
350.27734	0.9
465.30899	0.9
531.33533	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	592.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23433	0.6
59.01399	3.9
60.30560	0.7
61.98838	100.0
64.34751	0.7
64.97764	0.7
65.26385	0.7
78.96001	0.8
92.10030	1.8
99.69153	0.8
110.20701	0.8
112.75992	0.8
130.25293	0.8
152.71550	0.8
152.73225	0.8
232.31299	0.9
294.21429	0.9
309.27777	0.9
369.31064	0.9
482.07050	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54796	0.7
53.69897	0.9
54.82745	1.0
58.06984	0.7
59.01384	6.3
60.99314	16.3
61.98838	88.1
62.98569	0.8
64.17368	0.8
70.38314	0.8
71.01388	2.1
88.00378	1.1
88.98811	100.0
89.02460	7.0
101.02451	0.9
116.92858	4.4
125.92130	0.9
140.87813	1.0
191.05751	1.2
207.95853	0.9
365.39124	0.8
501.32678	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00612	1.2
59.01388	48.2
61.79559	1.4
61.98846	1.6
73.02974	2.4
77.95245	1.2
85.02959	7.4
89.46294	1.3
122.65988	1.4
136.05305	3.3
186.09418	1.4
267.48529	1.7
271.17383	1.5
343.29941	1.6
363.03702	1.4
407.25928	1.4
421.27441	2.4
425.30872	1.7
437.30695	33.9
439.28415	3.3
450.27765	7.0
453.30222	10.6
455.31903	2.5
465.30179	32.0
469.29541	1.8
471.31259	14.7
483.31412	22.4
501.32352	100.0
515.30383	2.4
537.34534	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	591.267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62970	1.1
55.01890	1.6
57.03462	2.3
58.00597	1.4
59.01387	100.0
71.01383	70.0
72.99305	2.2
73.02943	12.1
75.00868	2.1
83.01408	4.9
85.02956	21.6
87.00884	7.7
89.02444	86.9
93.03463	4.8
95.01391	5.9
97.02970	1.3
99.04501	1.3
101.02440	55.5
108.02095	1.0
113.02452	26.0
119.03510	31.6
119.05035	1.2
121.02991	4.1
125.02448	4.0
131.03513	7.2
135.03021	1.3
135.04497	1.7
137.02455	1.7
137.09711	1.4
143.03502	6.8
149.04590	1.5
152.01115	1.4
161.02463	1.9
161.04565	16.5
163.23732	1.2
169.52759	1.2
173.04552	1.6
177.04143	1.7
179.05638	59.7
191.05737	8.1
213.67003	1.1
221.06705	22.2
221.90886	1.2
224.81996	1.1
226.06255	1.4
250.15492	1.2
341.10956	1.4
382.27292	1.5
463.09207	1.4
474.22879	1.2
591.22845	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	591.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.1
57.03456	1.4
58.00605	3.0
59.01387	100.0
71.01383	65.2
72.99306	4.3
73.02948	13.8
83.01407	4.1
85.02956	16.5
87.00872	5.1
89.02444	78.6
89.13396	0.5
93.03438	0.5
95.01384	4.4
96.96016	0.6
97.02934	1.2
99.00871	1.5
101.02447	60.2
103.80498	0.6
104.77079	0.6
113.02464	25.0
119.03503	28.8
121.02972	0.8
125.02437	3.0
131.03505	9.3
135.04506	0.7
135.36601	0.7
137.09726	3.5
143.03499	7.7
149.04524	1.0
161.04576	16.3
172.36179	0.6
179.05635	58.2
191.05609	1.2
213.58084	0.6
221.06702	20.3
251.07156	0.7
323.09714	1.3
341.11002	1.1
404.75406	0.6
529.87439	0.7
597.93201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2622
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
60.12506	6.4
62.96292	4.5
97.24131	5.3
114.38939	5.9
119.66003	6.4
134.89619	5.4
163.59889	5.1
207.25446	5.7
463.43036	5.5
500.22739	13.3
515.24512	100.0
524.76953	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	591.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79703	1.5
61.98850	1.4
89.18794	1.6
206.10266	1.8
373.91531	2.0
443.22668	2.3
459.22037	3.8
487.25131	1.9
497.23608	3.2
499.21194	2.9
500.22412	16.4
515.24622	100.0
548.30151	1.8
559.23218	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48935	53.5
51.26650	50.9
51.72491	48.6
54.32547	53.2
61.98844	100.0
66.14595	57.7
69.52888	61.9
69.67283	63.1
71.33400	58.1
94.54915	64.2
114.12198	62.2
134.04732	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15331	2.2
51.23552	2.2
55.01886	6.1
59.01387	66.3
64.39600	2.3
70.78534	2.3
71.01391	68.3
72.99300	3.8
73.02952	22.6
78.95919	15.8
83.01396	6.2
85.02962	40.1
85.05933	2.9
87.00888	6.5
89.02441	42.7
92.66089	2.7
93.03479	5.9
94.76832	2.7
95.01369	3.9
96.96015	31.9
96.96967	18.5
99.00887	11.5
101.02459	51.1
103.26804	2.6
107.05034	4.7
113.02457	26.4
119.03488	12.5
131.03497	2.9
133.05052	19.5
151.03958	4.4
161.04550	15.6
173.04568	4.9
179.05540	4.1
183.32108	2.6
191.05653	100.0
269.10245	5.1
293.09012	3.6
295.10355	24.5
297.12033	12.1
309.11966	12.2
313.09344	45.0
353.08777	3.2
403.45715	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	591.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	9.2
56.31493	0.7
57.03461	4.3
59.01390	35.4
61.52230	0.8
63.95196	0.8
70.11036	0.9
71.01392	56.1
71.29158	0.8
72.99327	0.9
73.02955	22.7
76.58325	0.7
83.01398	14.9
85.02968	33.5
85.03461	1.3
87.00859	3.0
89.02446	2.1
95.01426	6.0
96.96037	3.4
99.00890	8.3
101.02444	51.3
101.03099	1.7
107.05057	5.6
113.02454	22.7
116.92860	1.7
125.02385	0.8
141.20259	0.9
143.03494	1.3
148.34366	0.9
151.04050	3.4
159.03011	4.0
161.04576	23.6
162.56198	0.8
191.05630	1.2
196.36089	1.0
197.92805	0.9
243.38292	0.9
269.10379	19.8
313.09338	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	589.3755
Annotation	Lasalocid A
Peak:m/z	Relative Intensity
59.01406	13.9
59.04781	2.2
61.98854	12.2
63.21523	1.9
69.20847	2.3
71.01419	2.6
71.07726	2.2
75.00903	2.4
82.95409	3.2
84.68927	1.8
84.95128	2.1
92.65713	2.1
93.03484	4.7
113.02484	1.9
121.02979	10.6
167.93315	2.0
173.04617	3.2
209.11916	8.3
227.79539	2.5
235.17082	2.5
250.57870	2.1
253.09422	3.8
293.21283	12.0
300.95593	2.4
312.46201	2.4
354.34940	2.3
467.31256	2.2
589.37714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80742	1.1
57.03460	2.5
59.01386	22.4
61.98837	81.7
71.01388	14.0
71.40534	1.1
72.99297	4.5
74.84713	1.1
75.00879	15.1
75.26457	1.2
85.02952	22.7
86.10220	1.1
87.00888	7.7
89.02456	6.3
95.01381	2.8
99.00896	8.1
113.02448	20.1
116.92872	3.1
118.89980	2.7
134.89519	2.5
158.56004	1.6
231.20058	1.4
249.06195	5.4
267.07339	2.5
277.21765	52.2
356.87091	1.4
494.75430	1.2
527.28711	100.0
528.29102	1.9
550.41846	1.5
590.24683	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	590.283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
61.98838	100.0
65.93919	0.4
78.55577	0.4
87.20185	0.5
88.00408	0.5
88.98824	1.0
92.10770	0.5
93.89371	0.4
121.02938	0.6
126.09364	0.5
127.81985	0.5
136.87383	0.5
144.32201	0.4
224.86357	0.5
520.00665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78472	2.2
58.72333	2.6
59.01389	32.0
61.98839	34.3
66.08125	2.6
69.79447	2.5
71.01392	5.4
82.95425	4.8
84.95129	13.5
85.02966	3.3
87.00914	3.3
89.02470	5.4
93.03445	10.9
94.66499	2.9
101.02458	6.3
113.02448	3.6
121.02944	14.3
121.10241	7.0
137.02431	6.3
141.09129	3.2
151.51097	2.8
161.04521	3.1
171.10263	27.9
173.04565	18.7
195.13895	13.8
253.09319	36.2
275.20212	32.8
291.19638	5.3
292.20114	5.1
293.21255	100.0
494.03375	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	589.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	2.0
59.01388	48.3
61.98839	18.2
85.02984	7.0
95.05039	11.7
96.16807	1.4
105.08184	1.6
127.07694	8.4
133.52638	1.7
135.08211	1.5
271.63486	1.8
403.26559	9.1
419.25888	2.2
421.27356	2.1
423.29135	2.2
431.26044	9.1
435.29163	35.9
437.27109	7.7
448.26505	4.7
451.28452	13.1
463.28827	27.8
469.29721	14.5
481.29803	25.2
485.29248	2.2
499.30774	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	589.324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29674	0.3
55.01891	0.4
57.03447	0.7
58.00624	0.4
59.01383	18.6
59.10528	0.3
61.98844	2.9
71.01382	4.4
72.99274	0.5
75.00881	0.4
83.01423	0.6
83.23192	0.4
85.02966	1.0
87.00889	1.0
89.02444	5.1
91.18525	0.4
92.66197	0.3
93.03455	0.7
99.47181	0.4
101.02438	6.0
113.02465	3.4
113.09763	0.8
114.39519	0.4
116.92920	0.5
119.03482	1.6
121.02956	1.6
129.07690	0.4
161.04550	2.2
171.28894	0.4
173.04575	1.7
179.05652	0.6
179.14468	1.3
195.13931	10.8
196.14587	0.7
205.12357	0.7
205.15962	0.5
209.11772	0.5
223.13458	6.4
228.13745	0.5
231.21191	0.5
253.09314	25.8
254.09561	0.4
256.13116	1.6
259.69019	0.4
265.21783	0.5
275.20203	7.3
293.21274	100.0
294.21536	0.7
397.79355	0.4
410.10184	0.4
419.19135	0.4
447.53589	0.5
484.79459	0.4
492.22284	0.8
529.30176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02064	2.5
59.01392	34.9
61.98836	32.5
71.01390	6.9
77.04025	2.8
89.02407	3.7
97.19739	2.9
142.81917	4.2
175.57500	2.9
183.13957	5.4
202.33778	3.4
235.17018	6.4
252.01611	3.4
253.09325	19.9
275.20355	7.3
293.21262	100.0
586.91376	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40051	0.5
58.80824	0.4
61.04623	0.5
72.99326	3.4
75.00872	100.0
80.25991	0.5
84.37751	0.4
85.32914	0.5
141.67583	0.6
399.93814	0.5
471.34814	4.1
482.21515	0.6
529.35297	1.2
588.40009	1.2
589.40540	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	589.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06863	1.8
54.32227	1.9
54.82912	2.0
59.01392	42.9
61.98851	10.6
69.77184	1.8
71.01409	11.0
75.00871	2.7
83.01383	2.4
83.05040	3.1
85.02962	3.0
89.02447	10.0
101.02460	14.6
103.21427	2.1
104.16556	2.0
109.17207	2.2
110.08977	2.1
113.02483	3.0
115.38089	2.1
119.39870	2.1
121.02970	11.1
129.07275	2.2
154.16139	2.1
158.64749	2.6
161.04568	3.9
173.04579	3.1
209.11868	3.2
231.21236	3.1
235.17030	61.0
253.09282	36.3
275.20206	89.3
293.21283	100.0
390.49420	2.4
432.25021	2.3
454.15173	2.8
600.77063	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	589.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.3
57.03463	0.3
59.01392	5.5
62.60499	0.1
69.03478	0.3
70.65512	0.1
70.68175	0.2
71.01399	4.2
71.05050	0.3
72.99320	0.2
73.02953	1.2
75.00878	0.7
79.23025	0.1
83.01413	0.9
83.05021	0.2
85.02969	1.8
87.00903	0.7
89.02453	2.1
89.02860	0.1
93.03477	0.9
95.01370	0.3
96.96014	0.3
97.02980	0.2
99.00902	0.9
100.01642	0.3
101.02450	2.8
101.06092	0.6
109.02986	0.3
111.00893	0.8
113.02473	2.3
113.99596	2.2
115.00405	1.1
116.15462	0.1
119.03483	0.8
119.05052	0.3
121.02966	100.0
122.03350	0.3
125.02477	0.8
127.04031	0.2
131.59427	0.1
134.10303	0.2
135.03038	0.6
135.04535	2.4
137.02499	0.2
143.03491	0.2
152.01138	0.2
156.00684	3.5
160.01688	0.2
161.04588	1.1
163.03990	0.2
165.88680	0.2
173.04514	0.2
174.01704	7.0
175.03961	0.3
179.05656	0.6
189.09337	0.2
191.05630	1.6
287.16336	0.2
305.12091	0.2
343.12296	0.2
353.09131	0.2
407.15671	2.9
429.21323	0.3
467.23099	0.2
469.20963	1.6
482.96936	0.2
511.21533	0.3
519.86096	0.2
529.19165	2.1
581.96655	0.2
605.78717	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.2
59.01385	4.8
59.01664	0.3
71.01389	3.1
73.02964	0.9
75.00881	0.3
83.01416	0.3
83.05096	0.2
85.02966	1.2
87.00887	0.3
89.02435	2.0
93.03429	0.2
95.01350	0.2
99.00866	0.3
101.02447	2.4
113.02455	1.1
114.29132	0.2
119.03500	0.9
119.05038	1.0
121.02960	100.0
122.03307	0.3
125.02485	0.8
131.03520	0.2
131.50291	0.2
143.03510	0.2
145.02954	0.9
145.08771	0.2
151.00330	0.2
161.04575	0.8
163.04028	0.2
179.05618	1.1
191.05698	0.4
193.90739	0.2
211.18852	0.2
221.06659	0.9
282.20822	0.2
323.09943	1.7
407.15607	3.9
529.19348	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	589.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36374	0.2
53.02495	0.2
56.86821	0.2
58.14899	0.2
58.23011	0.2
59.01392	4.7
60.26827	0.2
65.92863	0.2
67.76056	0.2
68.10288	0.2
70.79646	0.2
71.01395	3.7
73.02963	1.2
75.00900	0.5
78.43815	0.2
83.01407	1.0
83.05059	0.3
85.02965	1.9
87.00891	0.4
89.02467	1.7
93.03472	0.5
95.01450	0.3
96.96025	0.5
99.00883	0.6
101.01840	0.2
101.02443	2.3
101.06077	0.5
101.80327	0.3
105.71951	0.3
109.02984	0.3
111.27888	0.3
113.02477	2.0
113.99625	1.3
115.00354	1.0
115.80476	0.3
121.02967	100.0
122.03339	0.3
125.02454	0.3
135.03035	0.6
135.04559	2.4
156.00641	2.1
160.01683	0.3
161.04570	0.4
163.04007	0.3
174.01732	5.0
191.05598	1.6
298.63187	0.3
323.09958	0.3
407.15674	2.5
418.51706	0.3
465.42096	0.3
469.20789	1.1
529.19196	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	588.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85193	2.1
55.85894	2.0
57.58305	2.2
61.98837	100.0
82.95422	98.6
84.00916	45.8
84.95109	3.8
90.60339	2.3
137.02464	2.6
215.01550	2.6
389.47031	2.6
503.33957	12.0
506.34198	3.2
565.97784	3.5
588.31458	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85193	2.1
55.85894	2.0
57.58305	2.2
61.98837	100.0
82.95422	98.6
84.00916	45.8
84.95109	3.8
90.60339	2.3
137.02464	2.6
215.01550	2.6
389.47031	2.6
503.33957	12.0
506.34198	3.2
565.97784	3.5
588.31458	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.6
59.01386	12.3
60.26762	0.5
61.15970	0.5
61.98840	0.8
65.50215	0.5
71.01392	6.1
72.99300	0.5
73.02969	2.5
75.00885	1.1
76.57591	0.6
79.41749	0.5
83.01406	0.7
85.02979	2.5
87.00902	3.8
88.98833	1.0
89.02480	2.5
93.03471	1.2
97.02983	0.7
99.00896	0.7
101.02467	3.5
111.00929	1.9
113.02492	1.9
116.92866	0.6
121.02964	100.0
124.71079	0.5
131.03479	0.7
135.04536	29.8
137.02386	0.7
145.07729	2.4
146.04877	2.0
160.06454	9.4
161.07220	89.8
162.07526	0.6
163.04033	2.9
173.04524	2.1
175.08771	29.8
177.04048	0.6
187.08775	3.1
189.06728	85.3
191.05643	1.8
203.05473	0.9
203.08298	25.2
203.12077	0.8
229.09834	1.0
231.07730	0.6
277.12030	1.0
305.11411	10.5
323.12457	0.7
325.09406	1.1
367.21307	0.5
390.65988	0.5
396.03696	0.6
431.46298	0.6
467.16843	17.5
518.23450	0.6
571.19342	0.7
589.20428	52.5
590.20209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64098	0.2
53.91323	0.2
58.19514	0.2
59.01388	2.4
66.27223	0.2
71.01388	1.1
83.05035	0.3
85.02970	1.2
85.06579	0.4
89.02460	1.1
93.02911	0.2
93.03452	1.7
96.96024	0.6
100.84454	0.2
101.02453	0.3
109.03062	0.2
111.04552	1.7
113.02463	0.3
119.05037	0.4
121.02960	100.0
124.98288	0.2
127.04030	0.3
131.07152	3.2
132.07454	0.3
133.02971	0.3
135.03009	0.2
135.04517	1.5
150.26747	0.2
155.03456	1.8
161.02534	0.3
169.04913	0.2
170.43335	0.2
173.04570	2.2
179.03523	0.3
191.05626	6.6
192.05914	0.3
227.34785	0.3
293.12466	3.9
294.12772	1.6
295.08286	16.8
295.12967	1.1
353.08600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3959
Annotation	Argentinic acid B
Peak:m/z	Relative Intensity
59.01400	1.1
61.98873	1.1
88.83846	1.2
99.00887	1.5
116.92869	2.8
130.89577	1.3
132.11685	1.3
138.86157	1.3
147.92610	1.6
195.75095	1.4
224.98880	1.2
323.39600	1.4
521.03314	1.3
587.39642	100.0
588.40112	2.1
602.70361	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	587.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	2.3
61.98855	2.4
68.00549	1.5
70.13007	1.5
71.52402	1.5
73.90981	1.5
85.14804	1.6
85.21126	1.6
99.92594	9.2
115.92114	2.7
116.92860	3.4
135.64777	1.7
143.27545	1.7
171.10338	2.0
173.36314	1.8
305.58279	2.2
587.29016	3.0
587.39618	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	587.3963
Annotation	Argentinic acid B
Peak:m/z	Relative Intensity
51.10954	0.2
55.12825	0.3
58.47201	0.3
59.01390	0.5
60.11113	0.3
68.82617	0.3
85.68916	0.3
94.53196	0.3
105.44968	0.4
106.05586	0.4
107.49443	0.3
107.72345	0.3
145.72670	0.4
157.21388	0.3
249.86902	0.4
587.39648	100.0
588.39935	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	587.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.9
61.98848	5.0
68.67789	2.0
73.49345	2.1
75.85748	2.0
78.95912	5.0
89.08597	2.0
96.96026	5.1
96.96985	15.0
99.00900	2.6
99.92580	33.0
100.93378	5.0
106.08899	2.2
107.00053	2.4
115.92079	80.2
129.73038	2.6
141.93665	2.5
157.04367	2.1
213.26778	2.6
216.16902	2.5
245.63982	2.4
291.39539	2.2
295.97134	2.4
361.28839	2.5
365.11792	2.5
473.50031	2.8
475.01187	2.7
487.34506	4.3
488.34808	10.7
489.35052	12.2
574.23126	2.4
587.26862	100.0
601.24915	3.2
612.17322	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	587.308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47834	1.6
54.48297	1.3
56.58332	1.6
59.01387	29.4
61.98850	5.7
71.01387	7.3
71.05021	21.7
72.89419	1.5
75.00878	1.7
78.37663	1.7
82.95434	4.0
89.02458	1.6
96.96049	13.2
96.96952	1.7
97.06600	3.9
101.02489	6.6
105.85442	1.4
111.23123	1.5
113.02444	2.1
116.92855	2.0
121.02985	2.3
171.10260	2.0
181.12425	2.1
207.13844	3.5
209.11829	3.7
218.88539	1.8
224.20676	1.6
225.11436	2.2
247.20442	1.8
253.09247	12.7
275.61847	1.6
276.45328	1.6
291.19714	100.0
419.47461	1.6
489.32303	3.1
527.28906	5.3
567.82501	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49726	0.2
55.01913	0.5
58.00602	0.4
59.01390	31.2
64.78746	0.3
66.26347	0.2
66.72624	0.3
71.01393	12.3
72.99324	0.4
73.02972	0.8
83.01416	1.4
85.02966	3.4
85.06609	11.4
85.07109	0.5
87.00889	0.4
89.02459	17.4
95.01409	0.6
101.02453	12.2
113.02459	6.6
113.06122	2.2
115.07684	2.2
117.54504	0.3
119.03515	8.0
126.01803	0.3
127.07664	1.6
131.07150	58.1
152.79320	0.4
161.20988	0.3
163.04071	0.4
173.08189	2.2
179.05598	0.3
182.28065	0.3
223.84534	0.3
238.56038	0.3
274.78662	0.3
293.12485	100.0
294.12848	0.5
378.38455	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	3.0
59.53693	1.5
61.98849	2.7
72.39396	1.4
87.09089	1.3
96.96972	3.3
99.00880	2.1
99.92589	36.8
100.93371	11.3
115.92082	83.3
116.92843	7.4
126.16109	1.9
143.87265	1.5
152.14503	1.4
177.10005	1.6
210.97708	1.4
223.80548	1.5
424.23358	1.8
487.34863	3.2
488.34787	2.6
489.35214	3.5
511.83893	1.5
587.26965	100.0
601.24512	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	587.236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06691	0.1
53.25710	0.1
55.01889	0.1
57.03451	0.1
59.01392	5.4
59.61666	0.1
61.98838	0.4
65.44519	0.1
66.71277	0.1
69.03478	0.1
71.01387	2.5
72.99301	0.2
73.02962	0.7
73.29132	0.1
77.03967	0.1
77.77249	0.1
82.95438	0.1
83.01382	0.2
85.02977	0.8
87.00896	0.4
88.98812	0.1
89.02451	1.8
92.10796	0.3
93.03455	0.7
95.01393	0.1
96.96001	0.6
97.02941	0.1
99.00890	0.3
101.02441	1.7
108.02192	0.1
113.02474	1.1
119.03452	0.6
119.04982	0.2
119.89649	0.1
121.02956	100.0
122.03246	0.6
123.04509	0.1
125.02428	0.5
131.03502	0.1
131.04906	0.1
135.04533	6.8
137.02458	0.3
143.03447	0.1
147.04776	0.1
161.04552	0.5
163.04025	0.9
173.04532	0.5
173.05885	0.1
179.05626	0.2
191.05560	0.1
211.06117	0.1
223.06068	0.3
245.06755	0.1
257.08170	0.2
261.13379	0.1
283.08200	0.3
325.09244	0.3
405.17743	0.5
527.14032	0.1
527.21399	1.4
573.73718	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	587.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21315	0.3
59.01386	10.7
60.32190	0.3
66.36485	0.2
71.01380	4.2
73.02955	1.8
83.01412	1.5
85.02968	1.8
87.00866	2.7
89.02455	2.1
91.05537	0.3
93.03477	0.7
95.01364	0.4
96.96007	1.1
99.00885	0.5
101.02414	2.7
105.03487	0.4
109.02983	0.6
113.02438	2.8
117.03499	0.4
119.03484	0.5
119.04988	0.3
121.02951	7.3
122.03381	0.3
125.02374	0.3
131.03519	0.3
132.02161	2.6
133.02963	36.6
135.04541	3.1
137.02428	0.4
147.04535	3.4
152.01118	0.3
152.49483	0.3
161.02455	100.0
162.02805	0.5
165.05565	3.1
173.04538	0.3
179.03532	1.3
191.05598	3.6
207.06667	1.5
220.41368	0.3
239.05498	0.4
245.09337	0.3
323.07669	1.0
341.10785	1.3
383.11932	1.7
418.50610	0.3
545.14777	0.4
587.16290	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	586.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.0
59.94134	0.3
60.60962	0.2
65.50482	0.3
66.37816	0.3
67.01889	0.3
71.01394	2.0
72.00919	0.8
73.02953	0.3
79.27373	0.3
85.02951	6.3
87.00893	1.8
89.02418	0.4
93.03453	3.8
96.96002	1.3
111.04533	1.6
127.04008	2.2
133.02962	1.3
135.04524	1.7
137.02458	1.7
147.04552	4.3
157.07692	0.3
161.02435	1.3
164.07191	10.5
171.03061	0.4
173.04556	1.2
179.03612	0.5
191.05634	100.0
192.05994	1.3
263.76297	0.4
306.09671	0.4
322.56534	0.3
353.08777	7.3
372.70987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.7
60.47623	0.6
63.82359	0.7
68.99832	1.4
69.03486	0.9
71.01397	4.9
72.00922	1.2
73.02947	1.0
74.02498	1.4
75.00891	3.0
75.65048	0.7
75.88487	0.7
81.03473	0.9
85.02970	5.6
89.00644	0.7
89.02452	0.8
93.03483	1.6
95.01395	1.4
98.02489	5.4
99.00925	0.9
101.02448	2.6
108.02193	78.3
109.02973	34.9
109.03688	1.3
113.02493	3.8
116.05072	7.8
119.05042	4.8
121.02975	4.3
123.00939	1.1
123.04537	1.7
125.02389	0.9
128.03571	1.2
133.02968	1.3
134.03728	0.7
135.03011	3.3
135.04518	2.7
142.06654	3.3
145.02979	1.5
150.94341	0.7
151.04008	3.8
152.01181	84.7
153.01968	33.3
159.09337	1.0
163.04030	4.1
163.35089	0.7
165.01952	1.5
177.01939	10.4
191.05635	3.9
196.66623	0.8
201.11380	4.7
203.08295	4.8
227.08279	7.1
229.05107	1.0
238.17227	0.8
284.03381	1.2
285.04135	1.0
315.07294	100.0
339.07306	12.8
340.89685	0.8
371.24731	1.0
383.06335	9.8
389.25549	5.7
401.07281	3.6
587.15063	19.6
587.23114	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	585.3807
Annotation	(4R)-11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(8R)-8-hydroxyundecyl]benzoate
Peak:m/z	Relative Intensity
52.51495	0.3
59.01389	3.5
61.98849	0.4
64.74634	0.3
66.60278	0.3
71.01382	1.9
75.27322	0.3
85.02945	0.4
89.02441	1.3
92.10202	0.4
101.02464	0.3
107.22489	0.3
131.03542	0.4
185.45793	0.3
231.67511	0.3
311.61136	0.3
372.90845	0.3
373.58160	0.3
585.38068	100.0
586.38452	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37634	0.3
59.01399	0.4
72.99296	0.3
80.54300	0.4
97.83683	0.3
111.56013	0.3
157.56187	0.4
193.91978	0.4
200.37460	0.3
255.23335	100.0
256.23807	0.5
318.54785	0.4
478.16089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37202	2.5
59.01373	5.0
59.03328	2.5
61.98842	3.9
63.35611	2.4
63.97185	2.4
79.55280	3.0
82.95440	3.0
97.06567	3.5
138.68417	2.8
140.89725	2.7
152.81622	2.6
155.76759	2.5
183.65994	2.9
189.12801	2.9
202.55197	2.6
215.14336	3.3
217.15987	19.5
224.86429	2.7
261.15009	5.0
299.16187	4.6
300.86584	3.3
333.54538	2.8
343.15262	6.7
389.28433	6.5
406.28900	4.8
411.28711	3.8
423.32767	13.8
427.33072	3.7
439.32376	6.9
469.33371	100.0
471.31335	6.5
485.32779	16.2
491.27924	3.6
503.33603	6.6
553.31372	5.0
585.34180	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61361	0.5
59.01397	2.1
59.62447	0.4
61.98847	1.2
64.17755	0.5
69.68416	0.5
77.61681	0.5
80.39309	0.5
80.91669	4.5
82.95429	1.3
85.31218	0.5
96.96024	0.7
155.55463	0.6
163.03944	0.6
191.05914	0.5
212.15984	0.6
237.70547	0.6
377.28525	0.6
407.29825	0.6
455.31802	0.6
487.34457	0.7
503.33884	100.0
504.34402	3.0
585.34186	57.1
586.34680	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10705	0.4
54.55751	0.5
55.67178	0.4
59.01396	3.2
61.98841	2.5
72.30249	0.5
77.64773	0.5
80.91708	3.6
82.40562	0.4
92.10128	1.1
96.96021	1.2
99.47509	0.5
106.29315	0.6
106.39082	0.6
121.04281	0.6
132.07771	0.5
132.48230	0.5
139.98589	0.5
189.26720	0.7
249.41609	0.5
250.72266	0.5
297.90118	0.6
420.83096	0.6
483.53418	0.6
485.33127	0.6
503.33902	100.0
504.34387	3.6
585.34277	63.5
586.34723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03468	7.2
59.01387	33.7
69.03468	3.8
71.01380	24.7
72.99316	3.8
73.02953	3.5
73.76842	0.7
75.00871	36.5
84.88953	0.8
85.02953	16.5
87.00866	10.0
89.02444	7.4
93.03476	1.4
96.96081	0.9
97.02967	3.2
99.00877	6.4
99.04527	0.8
101.02432	8.3
107.57693	0.8
113.02473	1.0
115.00371	4.7
121.02958	52.8
122.03278	1.2
129.01950	10.4
138.58942	0.7
139.11307	24.4
141.01976	2.9
147.16856	0.8
159.03024	3.4
163.06154	5.0
177.04053	43.9
178.10919	0.9
181.07187	5.5
181.12399	13.3
183.10286	26.6
190.97054	0.7
191.05687	4.2
195.05121	1.7
199.13417	4.9
225.11383	12.9
237.04048	3.4
243.12375	25.0
285.13364	1.6
361.15195	1.6
367.87457	0.7
389.18213	1.7
403.16092	3.9
407.18988	6.0
421.17255	1.5
532.69476	0.7
585.24072	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	585.233
Annotation	Lancifodilactone J
Peak:m/z	Relative Intensity
51.19078	1.5
59.01399	19.0
63.63392	1.6
63.82170	1.5
71.01405	8.5
73.05524	2.0
78.54234	1.9
85.02974	2.6
89.02477	10.7
89.20235	2.1
97.03056	1.8
101.02452	3.0
107.05022	2.3
119.03547	2.2
119.05031	3.3
133.03014	2.2
135.04514	15.6
144.30003	2.1
177.01959	2.6
179.03523	11.6
179.05623	2.4
185.02211	2.5
191.05635	3.9
393.61884	2.1
546.51636	1.8
546.61658	2.1
549.25629	25.3
553.10687	2.1
585.23346	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	585.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.5
61.98841	43.6
62.15917	0.7
68.52821	0.9
71.01410	6.3
73.02940	1.1
76.70465	0.9
81.72865	0.9
85.02967	11.6
87.00883	1.8
89.02441	2.3
91.17840	0.9
93.03460	9.3
95.01430	1.2
101.02486	2.3
109.02975	1.6
119.05065	2.1
121.02967	22.4
122.03770	13.7
123.70990	1.0
125.02473	1.3
130.03780	1.1
133.02966	2.2
135.04541	2.3
137.02467	2.0
140.33713	0.9
149.02440	19.7
150.03239	100.0
151.03610	1.3
155.03583	1.2
155.43474	1.0
159.04509	1.2
164.04868	4.2
165.05576	77.7
172.05310	1.5
173.04591	4.4
179.03569	1.1
180.04401	6.9
191.05643	52.2
192.05997	1.9
195.06659	43.9
199.04068	3.9
200.04794	1.5
209.11902	4.7
211.07631	1.0
225.85568	1.0
227.03615	7.2
228.04265	2.3
256.87762	1.3
270.08847	1.1
283.13449	10.2
285.11560	1.2
296.15100	1.1
311.12958	2.2
314.07809	1.1
325.10867	1.2
327.12323	1.1
329.10477	4.0
341.10434	5.1
344.12769	5.2
353.13742	1.3
356.12573	1.7
359.15057	14.6
361.88412	1.2
371.15182	10.8
475.54684	1.1
520.81671	1.1
531.31909	1.4
585.23096	10.9
585.74194	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	585.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77509	1.1
59.01381	16.7
61.75327	1.5
61.98844	6.8
65.96759	1.3
67.01901	2.6
71.01392	7.2
73.02962	1.3
83.01391	1.5
85.02953	3.1
89.08367	1.4
93.03445	26.2
98.86323	1.3
101.02445	2.2
109.02936	7.2
111.04547	2.5
113.67962	1.5
116.92843	1.6
121.02966	30.9
132.24823	1.5
133.02966	2.7
135.04504	2.2
137.02441	12.1
139.58537	1.6
143.44759	1.5
145.09778	1.8
155.03487	8.7
161.02457	2.0
173.04565	100.0
187.07605	6.3
191.05595	7.8
202.06438	3.2
213.09189	7.0
229.08742	3.4
231.10265	9.8
252.15218	1.6
295.08246	21.7
305.01797	1.7
387.20047	6.5
423.32309	1.6
431.13803	12.0
524.70612	1.5
553.17267	5.9
585.37799	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	585.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
57.06149	0.2
59.01392	3.9
61.98838	0.5
68.20807	0.3
71.01414	2.0
71.05036	0.3
73.02952	0.4
75.00914	0.4
77.14563	0.2
85.02991	1.2
87.00903	0.6
88.79874	0.3
88.98792	0.3
89.02441	0.7
93.03472	1.2
96.96054	0.6
99.00938	0.5
101.02451	1.3
108.02216	1.3
109.02995	1.2
113.02487	0.3
114.39210	0.4
116.92874	0.4
119.03506	0.3
119.05029	0.7
121.02954	7.0
123.04560	0.5
126.90524	0.5
133.02968	0.5
134.03746	6.5
135.02991	0.4
135.04578	2.5
136.01671	15.5
137.02515	2.4
145.02992	0.5
147.04649	0.3
149.06085	3.2
150.03267	0.4
151.04015	11.1
152.01230	0.4
153.01984	0.5
159.04501	0.3
161.02498	1.8
163.04054	0.6
165.01929	5.8
173.04587	0.5
175.07674	0.7
179.03525	0.6
180.04276	2.4
184.29802	0.4
185.06110	2.9
190.02809	0.3
191.05727	2.4
195.04584	2.1
195.06685	2.7
197.06110	1.7
199.04036	0.4
210.05379	0.4
212.04829	1.3
213.05614	18.7
215.77122	0.3
223.04030	4.1
224.04730	2.1
225.07751	2.1
230.09402	0.4
240.04280	2.9
241.05099	95.7
242.05472	0.5
255.06641	1.9
256.07443	62.5
257.07742	0.6
270.08975	0.7
271.09793	100.0
272.10156	1.5
319.11896	16.7
361.15311	0.4
450.61633	0.3
507.20212	0.5
537.17798	0.6
585.25317	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59839	1.0
57.03457	1.6
59.01384	15.5
61.98839	7.3
62.57626	1.3
64.34993	1.0
67.01897	2.9
71.01381	8.4
83.05052	1.7
85.02958	2.9
87.00868	1.5
88.98818	2.8
92.24689	1.3
93.03454	30.9
96.95970	1.4
99.04503	2.1
101.02453	1.7
103.68967	1.2
108.02209	2.3
109.02963	6.8
109.85036	1.2
111.00858	2.0
111.04530	6.2
113.02468	1.2
116.92859	4.7
121.02948	39.8
121.03749	2.2
125.02498	5.1
133.95171	1.2
135.00841	4.8
135.04535	4.8
137.02455	12.4
152.01137	5.1
153.23109	1.1
155.03519	6.2
173.04567	100.0
184.05304	1.3
187.07645	5.1
191.05594	6.8
201.05602	2.1
202.06372	5.0
213.09224	4.4
231.10239	7.1
243.06664	2.6
257.08035	1.8
275.09232	1.7
295.08246	24.4
387.10919	1.7
393.98578	1.4
423.16504	1.4
431.13458	9.5
497.09842	1.2
558.32507	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14347	0.5
53.06176	0.4
56.65799	0.3
58.96468	0.3
59.01375	3.9
61.98850	0.7
68.25564	0.4
71.01410	2.7
74.65295	0.4
75.00900	0.6
75.94035	0.4
84.14052	0.4
85.02985	0.7
87.00902	0.5
88.98832	0.4
92.10047	0.9
93.03499	1.9
96.96027	0.9
101.02443	0.8
108.02202	1.1
109.02987	1.8
113.02443	0.8
115.04073	0.6
119.05044	1.8
121.02955	7.0
121.03649	0.5
134.03743	7.2
135.03018	0.5
135.04562	3.0
136.01665	13.6
137.02509	3.3
145.02962	0.7
149.06085	3.2
151.04030	10.6
152.01198	0.6
161.02516	0.5
165.01939	9.3
173.04497	0.8
173.06004	0.5
173.49950	0.5
179.03493	2.2
180.04291	5.0
185.06120	0.9
191.05675	2.1
195.04526	2.1
195.06648	4.1
197.06015	1.4
210.05301	0.6
212.04842	1.0
213.05598	16.4
223.04097	4.2
224.04753	2.8
225.07748	2.9
240.04306	2.3
241.05099	97.4
255.06651	2.2
256.07446	67.3
271.09796	100.0
272.10147	0.7
319.11880	15.4
394.39197	0.5
585.24304	0.7
601.27271	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	585.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90476	1.5
54.82291	1.5
59.01389	18.8
59.22216	1.2
60.48622	1.6
61.98841	37.4
61.99130	2.5
71.01402	9.5
75.00897	1.5
77.47305	1.3
78.95923	8.7
82.43269	1.6
82.95434	3.9
85.02987	3.4
87.00870	2.9
88.98846	2.4
89.02457	3.2
93.03483	11.2
96.96069	1.6
101.02459	8.1
108.02209	3.2
109.02976	3.1
111.00892	1.6
113.02471	3.7
119.05039	2.2
121.02966	100.0
123.04542	1.9
125.02475	3.5
135.03021	2.8
135.04581	8.1
137.02530	2.0
145.02933	2.8
150.03229	10.2
151.03645	2.4
152.01151	1.5
163.04022	2.9
165.01939	2.0
165.05583	8.1
167.03456	1.9
173.04572	15.5
177.01952	3.8
187.04102	2.3
189.01958	9.1
190.02620	1.9
191.03783	2.1
191.05659	12.7
195.06680	2.4
217.01413	3.3
217.05119	1.8
219.03018	3.4
229.08604	2.1
257.04706	1.6
341.06836	10.8
427.12350	3.1
463.10226	8.4
537.20325	1.6
547.16742	1.9
585.29865	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	585.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90476	1.5
54.82291	1.5
59.01389	18.8
59.22216	1.2
60.48622	1.6
61.98841	37.4
61.99130	2.5
71.01402	9.5
75.00897	1.5
77.47305	1.3
78.95923	8.7
82.43269	1.6
82.95434	3.9
85.02987	3.4
87.00870	2.9
88.98846	2.4
89.02457	3.2
93.03483	11.2
96.96069	1.6
101.02459	8.1
108.02209	3.2
109.02976	3.1
111.00892	1.6
113.02471	3.7
119.05039	2.2
121.02966	100.0
123.04542	1.9
125.02475	3.5
135.03021	2.8
135.04581	8.1
137.02530	2.0
145.02933	2.8
150.03229	10.2
151.03645	2.4
152.01151	1.5
163.04022	2.9
165.01939	2.0
165.05583	8.1
167.03456	1.9
173.04572	15.5
177.01952	3.8
187.04102	2.3
189.01958	9.1
190.02620	1.9
191.03783	2.1
191.05659	12.7
195.06680	2.4
217.01413	3.3
217.05119	1.8
219.03018	3.4
229.08604	2.1
257.04706	1.6
341.06836	10.8
427.12350	3.1
463.10226	8.4
537.20325	1.6
547.16742	1.9
585.29865	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	585.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36687	1.6
57.03464	2.1
59.01388	17.7
61.98838	37.9
71.01405	9.8
73.02946	3.0
74.43372	1.7
75.00872	1.9
78.95925	13.5
82.95428	4.2
83.05029	2.8
83.87405	1.8
85.02977	7.7
87.00922	3.0
89.02456	2.6
93.03473	9.0
100.76878	1.8
101.02468	7.9
109.02969	3.5
113.02467	2.6
116.92894	1.9
119.05053	3.9
121.02960	100.0
123.04532	2.3
125.02495	3.9
133.02940	3.0
135.04541	13.9
137.02449	4.3
141.69354	1.9
145.02945	2.7
150.03181	6.9
152.01149	2.2
161.02434	3.8
163.03929	2.4
165.05513	3.5
167.03546	4.2
173.04578	18.1
175.03958	3.6
177.02031	4.7
189.01993	12.1
190.02667	2.1
190.68564	2.3
191.05586	4.0
195.06732	2.3
211.07719	2.6
212.82541	1.8
217.01387	4.0
241.64030	2.1
341.06625	14.7
398.31140	2.4
405.24149	2.6
463.10120	8.0
524.35144	2.2
525.29333	2.6
585.30151	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	583.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18102	0.8
56.88713	0.9
61.98840	5.1
65.20074	1.1
82.95446	5.5
86.95383	1.1
91.65067	1.2
94.98109	2.3
108.62535	1.2
114.06432	1.1
142.33257	1.2
143.62904	1.2
172.97234	1.2
487.34445	100.0
488.34875	5.2
489.35184	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	583.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.7
57.03473	0.8
58.00605	2.5
59.01387	100.0
61.98844	4.4
71.01382	45.5
72.99326	4.5
73.02965	1.4
79.55032	0.7
83.01396	1.4
83.68861	0.6
85.02953	8.0
85.56162	0.8
87.00888	1.4
89.02446	57.8
93.03456	2.9
95.01397	4.0
96.96011	1.7
101.02440	18.6
113.01080	0.7
113.02462	14.4
115.70808	0.7
119.03507	22.3
121.02951	4.5
131.03519	1.4
137.02504	2.8
143.03517	4.6
149.04546	1.5
161.04602	4.8
166.69162	0.7
173.04565	1.7
179.05624	25.0
191.05682	1.5
202.06012	0.7
297.46057	0.7
325.82605	0.8
539.28741	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	4.4
57.03465	5.4
59.01390	49.5
59.95063	0.7
61.98837	10.9
71.01382	25.0
72.99303	0.9
73.02935	9.7
75.00893	4.7
83.01408	7.0
84.24586	0.9
85.02957	19.1
87.00900	3.3
88.98816	1.5
89.02461	7.9
91.01954	1.3
93.03456	32.8
93.04008	1.6
94.03773	0.9
95.01405	3.6
96.96033	5.3
97.02980	1.0
99.00906	4.2
99.92637	0.9
101.02439	23.4
108.02198	9.2
109.02972	12.5
111.00913	3.1
113.02449	13.0
116.62088	0.9
116.92884	7.9
119.03527	1.3
119.05028	3.8
119.70528	0.8
121.02954	8.2
123.04546	1.3
125.02470	1.7
129.02039	0.9
133.06683	0.8
135.00943	1.1
135.03030	3.8
135.04579	3.9
137.02455	50.5
138.02814	3.6
139.02808	1.0
145.02980	1.3
149.02492	0.9
151.04137	1.2
152.01169	7.4
153.01990	11.9
153.09236	1.0
155.10872	1.0
157.12405	0.9
159.03020	1.6
161.04582	1.9
163.03993	2.1
173.04538	1.8
175.03906	1.2
179.03592	1.5
181.07301	1.8
191.05614	3.8
201.14850	1.4
211.07608	1.9
222.52544	0.9
359.28012	2.0
361.29739	10.1
401.08960	2.0
523.34949	100.0
524.35498	1.5
545.18750	8.5
547.20044	1.3
547.28131	1.0
563.16809	1.0
567.89838	1.2
583.10999	2.9
583.23773	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	583.3272
Annotation	Huratoxin
Peak:m/z	Relative Intensity
51.75137	2.4
53.49335	2.4
58.88435	3.0
59.01374	3.2
61.98844	12.0
87.70359	3.3
88.74046	3.1
120.82565	3.2
127.40133	3.0
137.20027	3.8
177.88728	3.3
179.84578	3.2
245.24557	3.5
417.30157	3.3
471.31326	93.5
487.34357	21.4
501.32394	100.0
583.32733	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	1.8
73.05257	0.9
73.12302	1.0
87.53958	1.0
94.91263	1.1
94.98112	6.9
102.12628	0.9
104.35540	0.9
119.53803	1.1
140.26115	1.0
449.97330	1.2
487.34369	100.0
488.34689	4.3
489.34653	4.9
564.09003	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.6
59.27833	0.6
61.98849	2.8
74.89014	0.6
74.96398	0.8
94.98096	1.6
96.96014	15.3
96.96951	1.1
111.88133	1.0
129.54210	0.9
324.88589	0.7
470.05536	0.8
487.34375	100.0
488.34723	3.7
489.35010	5.0
490.16162	0.8
583.33380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.326
Annotation	Huratoxin
Peak:m/z	Relative Intensity
52.42662	0.6
54.83007	0.7
59.01391	1.7
61.98831	5.8
63.36937	0.6
80.91698	3.3
102.29394	0.6
142.15373	0.7
184.30333	0.7
207.22847	0.7
377.28537	0.7
439.37402	0.8
453.30179	100.0
454.30634	1.4
471.31262	4.5
500.99890	0.9
501.32327	49.6
535.30518	1.5
553.31470	1.6
583.32654	69.8
584.32806	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3261
Annotation	Huratoxin
Peak:m/z	Relative Intensity
53.90952	0.6
54.26861	0.5
59.01384	3.7
61.98840	7.1
63.66875	0.6
67.28743	0.5
73.02964	2.5
80.91673	4.6
85.90185	0.6
92.10043	0.7
94.86771	0.6
96.96060	0.6
121.02988	1.1
129.37366	0.6
129.80888	0.6
135.08173	2.4
169.57852	0.6
223.39110	0.6
258.38150	0.6
307.24332	3.2
347.27502	1.1
371.27576	0.8
372.24722	1.4
373.25403	3.9
387.26965	2.8
389.28558	10.2
400.68231	0.6
405.28128	3.9
501.32333	100.0
502.32602	3.5
583.32684	59.0
584.33051	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10402	0.7
53.78279	0.7
56.90531	0.9
56.93978	0.7
57.03468	9.0
57.90036	1.0
59.01394	22.6
69.03469	2.1
71.01397	20.9
72.99332	6.5
73.02954	2.0
75.00878	53.8
83.01374	1.0
84.02173	1.3
85.02969	22.8
87.00887	12.0
89.02460	9.1
93.03474	1.2
97.02955	4.5
99.00885	10.8
101.02439	2.0
108.02194	4.8
109.02985	4.1
111.00909	1.9
111.08163	2.0
113.02438	1.6
121.02934	1.8
129.01936	26.2
138.07593	1.0
141.01984	2.3
145.02956	1.2
146.81880	1.0
152.01207	5.9
152.11928	1.0
152.28560	1.0
153.01981	1.3
157.47961	1.0
159.02985	6.0
165.12851	24.9
177.04056	46.8
181.12265	1.4
183.13916	44.6
195.05110	25.6
197.15407	2.0
199.07086	1.2
207.13860	3.6
209.11949	1.5
227.12917	14.1
251.12827	2.2
315.68057	1.2
387.16660	5.2
405.17380	6.7
435.26224	2.0
565.21521	24.0
583.22565	100.0
584.23077	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23287	0.6
57.03468	6.5
59.01392	11.6
61.98847	1.2
71.01393	15.1
71.01728	0.8
72.57893	0.6
72.99339	0.7
73.02982	0.7
75.00881	20.0
76.57296	0.8
85.02961	14.8
87.00875	8.1
89.02465	3.7
93.03455	0.7
99.00899	6.2
99.82282	0.8
101.02472	4.6
110.43114	0.7
111.00910	0.7
113.02493	0.7
118.98077	0.9
121.02962	100.0
129.01965	11.8
135.04503	3.1
137.30518	0.7
147.03012	1.3
177.04074	71.0
191.05688	3.1
195.05020	0.7
243.12466	0.8
269.06815	1.7
292.96341	0.7
299.07764	80.1
314.88797	0.7
319.75006	0.7
394.28827	0.7
397.87750	0.8
583.29987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96002	0.4
55.01900	0.8
55.34228	0.3
57.03462	0.8
58.25197	0.4
59.01391	8.7
61.98840	4.7
71.01389	5.7
72.99294	0.4
73.02948	1.0
75.00894	0.7
82.95448	0.5
83.01395	0.9
85.02966	3.6
87.00884	0.9
89.02457	2.5
92.10128	0.8
93.03457	5.3
95.01382	1.8
96.96031	0.9
101.02443	4.3
102.02844	0.4
108.02194	5.0
109.02973	3.1
111.00888	1.1
113.02476	2.7
119.03477	0.5
119.05041	2.8
121.02975	11.4
122.03746	16.2
122.83003	0.5
123.00885	4.8
123.04530	5.2
124.01675	4.8
125.02520	1.5
133.02946	1.1
134.03711	0.7
135.02983	0.6
135.04530	2.5
136.01727	3.1
137.02455	2.7
146.03764	0.5
147.04558	0.6
148.01659	0.7
149.01263	0.8
149.02464	33.2
150.03242	100.0
151.04002	0.9
153.05650	0.7
155.10826	0.5
161.02444	0.6
162.03293	1.8
163.03993	2.7
164.04837	6.0
165.01912	2.0
165.05585	77.1
173.04561	1.9
175.04021	0.6
176.04851	0.7
177.05620	3.4
179.03537	2.1
179.07130	0.9
180.04291	7.6
191.05618	1.0
193.05017	0.5
194.05891	0.5
195.06654	32.7
213.69647	0.4
219.06679	0.7
224.06674	0.4
227.07196	0.6
267.06693	0.6
268.07452	2.4
272.06992	2.9
279.06711	0.7
280.07391	0.8
283.09879	2.0
287.09341	9.0
293.08289	0.6
295.06122	0.7
296.06995	1.0
297.07993	0.5
297.11377	2.1
307.09760	2.0
308.06995	1.9
308.10599	1.9
309.07809	1.9
312.06525	2.0
313.11124	0.7
317.10355	9.8
322.08630	1.0
323.09314	3.8
324.06583	0.8
324.10156	2.3
325.10922	3.1
326.11630	4.8
327.08841	6.2
338.11703	0.6
339.08911	7.7
339.12512	1.3
341.14047	0.9
342.11108	6.1
354.11163	2.5
357.13510	15.6
361.29532	1.0
369.13489	16.1
437.85251	0.5
457.12961	0.8
461.16202	0.8
472.15570	0.6
487.17621	0.6
505.18893	4.7
517.18915	0.7
521.33496	0.5
522.33777	4.5
523.34717	14.0
535.11749	1.0
535.19867	30.5
553.21069	0.7
583.22418	2.2
583.30005	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33123	0.2
51.66535	0.2
59.01381	1.1
61.45475	0.2
61.98837	100.0
70.98740	0.2
72.26694	0.2
78.60113	0.3
84.49957	0.2
92.10121	0.2
119.63471	0.3
121.02954	1.7
122.03297	0.3
162.05334	0.3
204.09770	0.3
252.71419	0.3
473.32358	0.3
520.33630	1.6
521.33911	3.0
522.34290	6.9
586.97675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00813	0.8
59.01387	18.9
59.01867	0.9
60.24316	0.9
61.98838	1.2
67.78696	0.9
74.05161	0.8
78.95909	16.1
79.16814	0.8
92.10793	4.0
100.11308	0.9
152.99574	1.6
157.86345	1.3
168.04323	4.0
183.19736	1.1
224.07014	8.1
247.81876	1.2
283.26456	100.0
508.34149	56.9
582.22931	7.8
583.22021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75060	0.9
59.01391	1.3
59.71047	0.8
61.98849	1.7
62.02237	0.8
66.91203	0.9
93.86537	1.1
99.32614	1.0
120.61694	1.0
147.02773	0.9
192.57016	1.0
289.36340	1.0
343.18747	1.1
345.22943	1.0
371.16049	1.0
487.34354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43670	0.6
50.71263	0.7
53.85387	0.6
59.01399	1.3
59.96786	0.6
61.98825	7.7
75.95432	0.8
80.06947	0.7
86.70013	0.8
118.09358	0.7
135.02997	0.8
143.47107	0.8
174.19380	0.8
183.13945	1.5
184.34007	0.8
204.87265	0.8
397.88068	1.0
420.66846	0.8
458.56769	0.8
487.34375	100.0
488.35010	1.2
581.26965	1.0
598.70190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65914	0.5
53.01065	0.5
55.58253	0.5
59.01391	1.3
62.92043	0.5
71.33143	0.5
92.10722	0.8
94.10915	0.6
116.92873	0.9
158.46768	0.6
171.34857	0.5
177.20702	0.6
217.44180	0.6
279.23334	100.0
280.23630	0.7
581.45630	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	5.6
61.32483	0.4
61.32974	0.3
61.98841	100.0
62.21685	0.3
62.98544	0.4
68.34116	0.3
71.01403	1.6
73.02985	0.5
75.00869	0.7
82.17771	0.4
93.03455	3.4
111.01029	0.4
113.02464	0.4
121.02953	24.7
122.03281	1.9
135.02991	0.6
137.02428	3.2
138.02826	0.6
174.73044	0.4
183.13907	1.8
267.43198	0.4
389.99268	0.5
452.34201	0.5
472.31308	1.0
473.31464	0.7
519.33063	2.5
520.33624	14.3
521.33978	24.0
579.30475	0.5
581.26874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46378	0.3
55.01900	4.3
57.03451	3.7
58.00606	0.6
59.01392	35.8
59.95580	0.3
60.87413	0.3
60.99333	0.4
61.86707	0.3
61.98845	0.9
63.50602	0.3
65.72629	0.4
69.03468	0.5
69.43245	0.4
71.01389	25.1
72.99313	2.1
73.02958	8.9
75.00878	1.8
75.55167	0.4
83.01400	7.2
85.02956	15.3
87.00878	2.7
88.98806	3.3
89.02463	4.3
93.03438	3.8
95.01398	2.2
96.65058	0.4
96.96027	0.8
99.00878	4.3
101.02443	18.4
108.02171	0.3
109.02927	0.6
111.00867	3.8
113.02450	8.9
119.03506	1.6
119.04966	0.5
121.02953	15.8
121.10252	2.0
122.03259	1.7
123.08159	0.5
125.02506	1.2
126.85728	0.4
129.01924	2.7
135.00856	0.4
135.02979	3.2
135.04541	0.9
137.02460	2.0
137.09740	0.6
141.09227	0.4
141.12881	1.5
153.01964	0.5
155.03513	0.4
155.10789	1.6
157.12335	0.9
159.02991	2.0
161.04553	0.9
168.00726	0.5
169.12341	0.5
171.13953	0.9
173.04562	1.4
175.03926	0.5
187.13449	0.7
191.05670	4.4
201.15015	5.8
211.07750	0.6
230.15311	0.7
265.21616	0.6
359.28076	10.2
362.19586	0.6
521.33405	100.0
522.33655	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2747
Annotation	Aralionine A
Peak:m/z	Relative Intensity
52.19010	6.2
59.01392	83.0
59.01646	7.8
61.98837	75.5
62.97316	6.7
65.92654	6.3
66.62708	5.7
71.01402	9.1
75.00916	10.3
80.51166	7.5
83.05040	11.6
85.48491	7.3
92.10759	17.0
93.03471	12.9
96.96018	34.6
101.02448	7.4
105.79525	7.6
109.03036	8.4
121.02937	94.0
122.03278	8.8
128.55893	9.7
135.02995	43.3
135.04535	10.1
163.04033	7.7
173.04562	35.3
175.04044	8.8
191.05688	16.8
197.11969	8.7
209.11893	17.1
315.08923	7.7
581.27393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19010	6.2
59.01392	83.0
59.01646	7.8
61.98837	75.5
62.97316	6.7
65.92654	6.3
66.62708	5.7
71.01402	9.1
75.00916	10.3
80.51166	7.5
83.05040	11.6
85.48491	7.3
92.10759	17.0
93.03471	12.9
96.96018	34.6
101.02448	7.4
105.79525	7.6
109.03036	8.4
121.02937	94.0
122.03278	8.8
128.55893	9.7
135.02995	43.3
135.04535	10.1
163.04033	7.7
173.04562	35.3
175.04044	8.8
191.05688	16.8
197.11969	8.7
209.11893	17.1
315.08923	7.7
581.27393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61902	0.6
57.03459	1.5
59.01387	20.3
60.99327	0.6
61.60476	0.6
61.98836	1.4
71.01385	10.2
72.99323	1.3
73.02966	1.3
75.00890	3.6
85.02972	4.7
87.00907	2.6
88.98785	5.1
89.02436	5.7
92.10061	1.4
93.03483	4.3
96.96024	1.6
99.00863	0.8
101.02465	5.2
108.02205	4.6
109.02995	3.2
111.00910	0.8
113.02450	2.7
116.92915	1.7
117.03468	1.2
119.03512	0.9
119.05054	0.8
121.02952	6.7
126.10088	0.6
132.02190	19.1
132.85286	0.7
133.02991	6.3
134.03758	33.2
135.03012	9.9
135.04558	3.1
137.02472	1.4
145.02950	0.7
147.04495	2.7
148.05287	1.2
149.06096	5.0
151.03976	1.2
152.01198	3.5
153.02025	1.0
160.01678	100.0
161.02283	1.0
165.12801	0.8
172.84885	0.7
173.04651	1.1
175.04030	95.0
176.04843	7.4
177.01964	1.5
177.05629	1.5
178.02715	1.5
179.03540	1.5
183.13884	1.7
191.05623	4.6
191.07195	7.3
192.04483	0.7
193.03333	1.1
193.05077	27.3
193.06735	1.1
207.06700	1.6
220.03941	1.5
235.02536	0.7
235.06175	17.6
255.03099	1.0
265.07269	1.7
295.08356	3.4
296.71124	0.8
369.32257	0.7
521.26111	0.8
521.33832	3.8
522.15906	0.7
563.21588	1.1
581.26245	85.3
582.26672	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30113	0.7
55.01906	1.2
57.03473	2.0
57.38323	0.7
58.00614	1.0
59.01392	100.0
61.98858	0.9
64.37428	0.7
71.01386	51.0
72.35708	0.9
72.99329	4.8
73.02965	4.2
75.00874	9.7
83.01400	1.8
85.02962	13.7
87.00916	3.3
89.02444	57.9
93.03467	4.7
95.01404	3.2
97.02969	1.0
99.00903	1.4
101.02448	25.5
107.05039	5.3
109.02964	1.9
111.00900	1.7
113.02459	17.8
119.03499	21.9
119.04958	0.7
121.02953	11.5
123.00947	0.9
125.02437	1.3
126.37090	0.7
129.01970	1.1
131.03535	1.4
133.06676	0.8
134.03763	1.3
135.03018	18.4
135.04520	8.7
136.01685	1.7
137.02435	5.8
138.03239	1.7
143.03537	1.5
149.04564	1.8
151.03996	8.0
152.01224	1.1
153.01921	0.9
153.05626	1.2
161.04565	1.9
164.04951	1.0
166.02715	1.7
174.03288	1.4
175.04025	8.2
177.04070	3.3
177.05586	3.3
179.03464	1.0
179.05682	10.6
181.05103	1.2
187.04028	5.2
188.04807	1.4
189.05562	1.8
190.06433	3.2
191.05618	4.3
191.07135	1.5
192.88812	0.9
197.09718	1.7
202.06448	1.8
203.07222	3.2
204.04314	1.1
205.05173	8.1
205.08659	1.0
207.06808	0.8
219.06573	1.0
219.10341	0.9
220.07468	8.4
233.08342	1.0
235.09752	3.7
258.98660	1.0
329.14096	1.1
341.10327	6.4
356.13037	1.5
359.15155	1.7
371.15158	1.5
389.15912	1.1
401.16165	32.0
445.11469	1.3
477.23776	1.5
521.25909	8.9
581.14288	1.6
581.22223	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
69.37720	0.5
71.01400	2.1
72.99316	1.0
75.00880	10.5
75.46324	0.6
80.82542	0.5
85.02963	0.8
87.00916	0.6
89.02475	2.2
93.03475	3.5
108.02251	0.5
109.02951	0.6
111.00837	0.6
116.92872	8.8
119.05030	0.9
121.02971	3.8
124.44284	0.6
126.92537	0.5
134.03743	0.8
135.03012	31.6
135.04590	2.4
137.02464	3.2
145.02957	0.8
147.04532	2.1
151.04024	2.9
160.01610	0.9
160.05263	1.1
161.02428	0.5
161.06079	0.9
163.04030	2.9
174.03169	2.0
175.04031	11.1
175.07625	2.1
176.04823	2.1
177.02028	1.2
177.04083	1.2
177.05612	0.8
179.03607	0.5
180.04263	2.5
181.05009	0.6
188.04807	2.2
189.05600	3.6
190.06377	11.1
191.05632	1.0
191.07179	7.7
193.05054	4.5
194.05870	3.0
195.08167	1.1
197.09695	3.8
203.07074	0.9
205.08757	9.7
207.06685	2.9
208.07457	8.8
222.09013	2.2
223.07788	1.1
223.09869	0.7
223.21538	0.5
237.09293	0.7
239.10788	2.4
241.08717	0.7
255.10440	0.8
269.08234	11.0
281.08200	1.0
283.09824	6.2
295.09879	0.7
299.09268	9.4
301.10767	0.7
311.09344	10.8
311.12817	0.9
314.11688	18.7
325.11050	0.8
326.11618	12.2
329.14020	52.1
341.13980	23.7
341.18106	0.8
374.13779	1.1
389.16122	35.5
419.17230	2.4
445.11487	3.0
463.12912	4.8
581.14398	0.8
581.20703	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.2
56.61229	1.2
59.01387	26.7
63.02555	1.1
67.01928	1.6
71.01387	10.9
74.74980	1.2
81.42287	1.2
85.02977	2.1
85.08390	1.3
88.48413	1.3
89.02445	5.3
92.10743	2.9
93.03412	1.7
96.96008	12.3
100.85433	1.4
101.02425	5.8
111.00883	9.6
113.02449	2.8
117.87125	1.3
119.05109	1.3
121.02906	1.5
123.00919	17.0
138.03238	43.8
153.05591	20.6
155.60947	1.6
161.04408	1.5
166.99843	7.6
181.01511	3.1
182.02237	40.9
191.05626	9.2
197.04585	100.0
224.03314	2.5
238.68996	1.8
239.05620	17.6
255.18279	1.5
299.07916	2.3
359.09912	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1834
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
52.41446	3.8
52.99235	3.2
58.10335	3.6
61.98842	6.3
76.59269	3.4
78.95911	100.0
99.92587	13.7
101.48724	3.4
115.92090	43.2
116.92876	38.1
140.25514	3.9
152.99603	35.2
171.00632	14.1
172.79579	3.4
178.88461	4.1
179.89226	45.0
180.90001	42.0
191.80956	3.7
196.89511	57.1
205.90912	4.4
210.00931	3.3
236.92522	26.1
239.44325	3.2
242.84157	3.6
303.38559	3.4
473.14575	4.2
563.17072	5.2
581.18231	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99653	0.2
59.01385	1.7
61.98837	100.0
72.71295	0.2
81.23578	0.2
83.24911	0.2
92.10838	1.0
93.03471	1.5
121.02965	3.5
122.43899	0.3
137.02454	1.0
147.03482	0.2
171.61476	0.2
469.29944	0.3
470.29904	0.5
471.30594	1.2
472.31168	3.2
519.33282	9.8
520.33643	27.4
587.73541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30691	0.2
51.74047	0.2
59.01391	1.2
59.76455	0.2
61.98837	100.0
81.96470	0.2
92.10783	0.7
101.57060	0.2
126.65062	0.2
134.66437	0.2
175.91336	0.2
208.15495	0.2
240.29425	0.3
259.93719	0.2
306.95074	0.2
311.82159	0.2
494.55460	0.2
528.96881	0.2
534.05103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18144	1.1
54.20038	1.1
54.82808	1.3
59.01385	17.6
60.40911	1.2
61.98835	3.2
78.95898	16.4
93.42622	1.6
97.24385	1.2
121.97720	1.4
140.69698	1.5
152.99654	1.7
168.04271	1.8
191.22290	1.5
192.57246	1.6
224.06982	6.2
242.07889	1.4
281.24884	100.0
351.58350	1.5
506.32593	50.3
563.80322	1.6
571.76245	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	580.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	14.5
59.29797	0.3
59.44541	0.3
61.98840	15.4
63.99253	0.6
68.10350	0.3
78.95899	5.3
136.41576	0.3
152.99591	0.7
154.49620	0.3
156.91708	0.3
168.04337	1.4
194.19530	0.4
224.06999	0.7
235.78622	0.4
242.08003	1.7
281.24902	100.0
282.25198	1.5
506.32571	26.7
539.25134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03963	1.6
50.79564	1.5
52.90250	1.9
53.93385	1.6
54.12745	1.7
59.01389	100.0
60.01731	3.2
61.98838	54.1
65.86830	2.1
72.22950	1.9
75.00877	3.1
88.57160	1.8
93.03462	30.9
100.99269	1.9
104.80755	2.0
111.04540	2.4
121.02969	99.7
132.28317	2.3
137.02440	27.4
155.03552	3.1
160.01692	3.4
163.57336	2.1
173.04555	52.3
247.03232	2.1
295.08340	25.1
395.71494	2.4
431.13443	2.5
485.33167	4.9
486.33118	3.0
502.32800	3.7
519.32861	5.1
520.33801	4.6
553.17365	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	580.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36879	0.4
51.86446	0.4
54.64479	0.5
59.01375	0.8
61.98834	100.0
66.90900	0.4
75.00863	9.5
85.45205	0.5
87.59559	0.4
87.80299	0.4
90.32925	0.4
93.03456	7.4
106.52680	0.5
121.02955	17.0
133.02901	1.7
134.03720	0.7
135.04503	0.7
137.02457	6.6
154.76198	0.4
155.03487	0.9
180.23953	0.5
243.45270	0.5
253.70064	0.6
275.09363	0.5
334.07092	3.8
431.13467	1.8
447.75461	0.5
504.34262	0.9
519.33069	0.8
520.32770	2.0
553.17450	3.0
585.99982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82976	0.6
58.66689	0.5
59.01385	6.5
61.98837	100.0
66.77847	0.7
71.01382	0.8
89.07798	0.7
90.62727	0.7
92.04848	0.7
93.03468	0.9
97.85703	0.7
111.01583	0.7
121.02939	6.0
173.04564	1.1
216.00435	0.7
395.79294	0.8
486.33521	1.3
518.31897	1.1
519.32635	3.4
520.32806	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	579.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12718	0.8
54.95289	0.6
59.01388	100.0
61.98851	4.8
69.54906	0.6
71.01401	0.8
75.00880	1.1
76.58545	0.9
83.05049	0.9
93.03459	7.0
93.46185	0.8
110.40371	0.7
121.02962	21.3
133.02943	1.0
136.95293	0.8
137.02466	4.0
169.05225	0.9
173.04546	9.0
295.08240	3.3
313.26727	0.8
412.90558	0.8
431.13684	1.4
519.32959	4.1
553.17346	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	579.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82806	0.8
59.01392	100.0
61.98838	12.3
74.04384	0.7
78.13199	0.8
78.95915	1.1
79.74547	0.8
375.27298	1.2
519.37036	1.9
608.30164	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	30.7
61.98843	27.4
63.92725	0.9
71.01390	1.5
81.21371	1.0
93.03468	35.7
93.04008	1.5
111.65955	0.9
121.02966	100.0
134.03752	2.2
135.04593	1.7
137.02466	33.0
138.78264	1.1
155.03545	5.8
160.01674	2.2
173.04561	56.8
173.06026	2.1
179.13849	1.0
191.05693	1.5
253.05211	1.8
254.05583	1.3
275.09564	1.5
295.08243	20.8
334.06995	4.9
423.28943	1.4
431.13599	1.6
451.28381	1.4
469.29999	2.1
487.31577	1.7
517.31891	4.8
519.33618	1.3
553.17377	21.6
580.18695	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	579.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12718	0.8
54.95289	0.6
59.01388	100.0
61.98851	4.8
69.54906	0.6
71.01401	0.8
75.00880	1.1
76.58545	0.9
83.05049	0.9
93.03459	7.0
93.46185	0.8
110.40371	0.7
121.02962	21.3
133.02943	1.0
136.95293	0.8
137.02466	4.0
169.05225	0.9
173.04546	9.0
295.08240	3.3
313.26727	0.8
412.90558	0.8
431.13684	1.4
519.32959	4.1
553.17346	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	579.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22409	0.2
52.20695	0.2
58.38745	0.3
59.01388	100.0
61.98837	28.0
78.95915	0.5
82.45804	0.2
87.46062	0.2
88.27335	0.3
178.00179	0.3
277.21823	1.9
278.22192	2.4
279.22360	2.0
280.22675	1.8
337.50412	0.3
391.07077	0.3
471.35034	0.4
485.33063	0.3
503.29837	0.4
504.29932	0.3
505.30426	1.5
519.33392	0.3
534.93555	0.3
579.27594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15014	0.8
59.01385	100.0
59.52662	1.2
61.98829	8.0
71.01401	1.8
73.76995	1.0
81.31770	0.9
85.02961	2.1
92.10726	3.0
93.03444	11.2
96.96049	1.3
99.75793	1.1
113.02464	1.1
121.02955	82.3
135.04520	18.4
137.02455	7.9
149.43991	1.2
152.05666	1.1
161.02576	1.4
163.04088	1.3
173.04527	6.1
179.03487	2.0
201.05621	1.1
213.09215	1.7
223.10181	1.3
254.06107	1.3
269.08102	1.9
277.17007	1.0
288.79959	1.2
335.07864	4.8
389.28552	1.3
453.30020	1.6
469.29578	5.1
501.32297	24.1
519.26453	2.2
519.33386	8.9
579.35339	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	579.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33257	0.4
51.16886	0.4
52.74051	0.5
55.27478	0.4
59.01389	100.0
61.98835	6.0
79.93428	0.5
87.20030	0.5
103.19577	0.5
121.02960	3.2
129.27077	0.4
152.99547	0.5
269.13480	0.5
371.12756	0.5
373.69086	0.5
487.34454	1.2
519.32507	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	579.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57591	0.6
57.49285	0.7
58.06662	0.7
59.01385	4.8
59.42984	0.6
61.98839	3.9
68.86332	0.7
72.99310	3.8
75.00872	100.0
101.02486	1.0
121.02953	4.1
129.64075	0.7
134.47034	0.8
183.13924	1.1
199.13374	3.2
200.13745	3.5
207.00896	0.8
503.33923	10.5
519.32800	3.1
579.31213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59668	0.3
59.01387	100.0
61.98845	2.2
62.84492	0.3
64.89810	0.3
71.01383	1.4
83.01410	0.3
85.02943	0.3
85.06606	0.3
89.02461	0.5
92.08086	0.3
93.03452	1.2
96.96012	0.6
101.02467	0.4
109.04422	0.4
116.92899	0.3
121.02957	4.7
130.01289	0.3
135.04536	0.3
145.02951	0.4
151.21724	0.3
163.04048	0.4
173.04546	1.9
187.39754	0.4
191.05569	0.4
205.08723	0.3
295.08194	0.4
318.49078	0.3
330.24734	0.3
357.26767	0.6
378.94928	0.4
453.30206	1.5
469.29794	0.5
519.33441	4.3
533.08899	0.4
563.33948	0.3
566.81433	0.3
579.26892	0.6
579.35608	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37467	0.9
53.94822	0.9
59.01397	2.1
61.98854	6.5
64.51872	1.0
66.94164	1.0
68.06339	1.0
72.99328	2.7
75.00881	100.0
76.43475	1.0
95.90755	1.0
114.66256	1.0
121.02946	5.0
135.04662	1.0
144.96532	1.0
158.98831	1.2
213.69339	1.3
275.32037	1.2
307.85382	1.1
334.06882	1.4
366.90097	1.1
503.34033	10.0
534.31104	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72844	0.4
59.01388	8.4
59.97999	0.4
61.98836	0.5
67.13084	0.4
72.00478	0.4
75.93028	0.4
84.06459	0.3
93.22859	0.5
118.05676	0.4
121.02964	3.3
126.24991	0.4
141.61481	0.4
180.93388	0.4
204.73715	0.4
365.28403	0.5
404.84583	0.5
411.28864	0.5
435.29306	0.7
471.31116	5.3
485.32617	0.7
519.33374	100.0
520.33844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57907	0.3
55.01884	3.8
56.95239	0.3
57.03463	2.3
58.00606	0.7
59.01384	52.3
61.98838	5.4
67.01910	0.4
68.99799	0.3
69.03448	0.4
71.01380	16.4
72.99310	1.9
73.02940	7.7
75.00861	0.5
83.01392	6.8
85.02953	12.6
86.00108	1.6
87.00910	1.4
87.04475	0.3
88.98806	0.7
89.02441	1.7
92.10146	1.6
93.03422	1.4
95.01400	2.5
96.95984	0.4
99.00887	2.5
101.02442	16.2
108.02129	0.5
109.02980	0.5
111.00886	2.1
113.02451	5.6
113.16076	0.3
119.04993	0.8
121.02943	9.9
125.02399	0.5
127.11249	0.7
135.02979	0.4
135.04536	1.5
137.02391	0.8
145.02979	0.8
147.04655	0.4
152.01137	0.4
157.12331	2.1
159.02965	1.5
161.04520	0.5
163.03955	0.5
169.12437	0.4
173.04584	2.1
188.95067	0.4
191.05618	0.8
201.05473	0.3
222.37503	0.4
253.18111	1.3
265.21802	0.7
285.24426	1.7
331.24973	2.5
357.26361	1.6
447.29691	0.5
475.29187	13.3
493.30240	47.0
501.30817	0.4
519.32190	0.6
535.31305	100.0
536.31921	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	579.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	4.8
57.03458	3.7
59.01388	57.3
61.98839	5.7
63.66291	0.3
71.01382	17.3
72.99317	2.5
73.02949	8.8
75.00891	0.5
83.01389	6.6
85.02959	14.2
86.00109	0.8
87.00893	1.9
88.98823	0.7
89.02465	2.0
93.03462	0.6
95.01394	2.2
97.02924	0.8
99.00896	3.2
101.02444	19.7
107.26259	0.4
111.00890	2.4
113.02457	7.1
117.03463	0.6
118.44790	0.4
121.02957	9.7
125.02409	0.5
127.11278	0.5
129.01988	0.5
135.04527	0.6
137.02515	0.5
145.02936	0.6
147.04501	0.4
151.00510	0.4
157.12378	2.0
159.02969	0.8
161.02443	0.5
161.04570	0.8
173.04546	1.8
188.95212	0.4
191.05638	0.6
253.18304	0.4
265.21729	0.5
285.24426	1.6
312.75601	0.5
331.24881	4.0
357.26416	1.0
369.66953	0.5
447.29431	0.8
475.29233	14.3
493.30286	49.5
494.30408	0.7
501.30801	1.6
519.31970	0.5
527.73718	0.4
535.31354	100.0
536.31622	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87757	0.6
57.03456	1.1
59.01387	90.2
61.98841	4.6
71.01405	1.1
73.02979	1.0
85.02982	0.8
93.03447	2.2
99.77946	0.6
101.02415	0.8
121.02961	100.0
131.21147	0.7
135.04567	7.4
135.77402	0.8
137.02490	0.7
149.09705	0.7
149.36591	0.7
173.04565	1.1
191.05612	0.9
194.71916	0.7
206.13080	0.7
209.11826	0.7
253.19901	0.7
307.24689	1.1
342.86957	0.7
347.27469	0.8
373.25519	1.2
389.28598	4.4
435.28860	1.0
501.32315	62.8
519.26703	1.1
519.33539	11.2
545.31665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	8.1
57.03468	5.5
59.01390	100.0
61.98855	3.8
62.37846	0.8
71.01388	55.6
72.99341	1.4
73.02949	19.6
74.93410	1.0
75.00871	1.2
82.44949	0.8
83.01398	11.7
85.02959	30.6
87.00883	1.3
89.02457	12.8
93.03419	2.1
95.01405	5.0
96.96043	1.1
97.02979	1.1
99.00869	10.2
101.02448	43.4
113.02460	23.2
119.03481	1.9
121.02959	59.7
135.04518	4.4
137.02455	1.4
141.21153	0.9
143.03491	1.4
151.00366	1.5
159.03011	3.5
161.04576	15.1
173.04524	1.9
193.05075	1.0
257.38104	1.2
295.71545	1.2
357.22928	18.4
378.06519	1.0
474.09299	1.0
519.28119	83.2
520.28571	1.4
579.24182	1.2
579.34906	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	50.3
61.98841	3.0
66.09750	0.3
71.01405	0.8
77.91781	0.3
78.95871	0.3
85.02982	0.4
87.00855	0.3
88.17288	0.3
89.02505	0.4
93.03460	1.4
121.02966	100.0
135.04546	3.1
163.03979	0.5
173.04601	0.6
191.05678	1.3
206.98363	0.3
471.31348	2.1
501.32144	0.5
519.33386	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	579.259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83197	3.1
56.33033	2.4
56.84735	2.7
59.01387	100.0
61.98844	26.2
65.17761	2.9
71.01385	7.6
85.02966	3.2
87.00867	3.3
93.03465	5.3
93.38602	2.8
93.43725	2.7
93.70943	2.8
101.02420	4.7
110.70637	3.7
121.02962	95.6
127.55235	3.6
135.04538	7.3
173.04651	3.8
191.05573	12.4
232.97231	3.3
334.72223	3.4
360.41534	3.5
519.33301	48.1
543.27905	22.6
579.25854	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	579.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	17.3
61.98842	3.8
62.18244	0.5
66.33963	0.5
71.01378	0.7
75.52518	0.7
93.03471	0.7
109.97578	0.7
121.02966	100.0
135.04556	0.9
138.59282	0.6
177.16280	0.7
191.05562	1.1
579.26270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44807	0.5
57.03440	0.8
58.35258	0.6
59.01397	47.9
61.98844	2.6
63.63501	0.6
71.01394	4.6
73.02975	0.9
77.90097	0.7
78.95928	0.7
83.05058	0.6
85.02981	1.4
88.98835	0.7
89.02451	1.1
93.03468	20.7
93.56295	0.7
96.96012	7.7
101.02455	1.5
109.02975	2.7
111.04536	1.5
113.02459	0.8
117.03552	0.6
119.05013	0.8
121.02966	100.0
133.02982	1.5
134.03719	1.0
135.02971	0.9
135.04538	23.0
137.02461	23.9
150.03209	1.2
155.03490	5.1
161.02461	5.2
161.04482	0.8
173.04582	10.4
175.03984	1.1
179.03508	7.9
191.05615	1.5
241.05099	1.4
269.08151	0.8
277.07248	4.4
335.07773	11.8
353.06653	0.7
360.20557	0.8
399.10971	8.5
457.11496	3.9
519.27197	1.0
519.33771	1.0
579.15057	1.3
579.25635	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	579.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28355	0.9
54.00722	0.8
54.83052	1.3
59.01388	100.0
61.80243	1.0
61.98845	6.8
71.01386	1.5
75.00893	4.4
80.03612	1.0
88.98827	1.1
92.10101	2.5
93.03448	9.1
93.98458	1.1
116.92813	1.4
121.02955	20.4
128.05435	1.1
137.02429	4.5
155.03343	1.4
169.42517	1.0
173.04602	8.2
235.19243	1.3
253.05063	6.5
257.61496	1.2
295.08228	2.2
453.30493	1.2
519.33423	4.4
553.17676	1.9
605.40509	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.3
59.01400	1.5
67.01910	0.4
71.01384	1.3
71.28265	0.3
75.00900	0.5
83.05070	0.3
85.02956	6.9
87.00880	1.7
93.03462	3.0
96.96034	1.2
100.21469	0.3
101.02471	0.4
109.02943	0.6
111.00895	3.1
111.04553	1.4
115.81558	0.3
119.03499	0.4
119.04982	0.4
121.02949	0.5
125.02449	1.5
127.04018	2.1
135.03008	1.1
135.04538	9.3
136.04834	3.3
137.05209	0.4
149.86607	0.3
161.02499	2.3
171.02917	0.6
173.04631	0.7
179.03606	1.2
191.05647	100.0
215.03265	0.3
224.48781	0.3
265.85281	0.3
353.08899	8.5
472.08926	0.4
579.13861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21575	2.2
51.23445	2.2
59.01387	76.0
61.98837	85.2
64.34470	3.5
64.70476	2.5
65.37579	2.7
71.01405	14.9
75.00893	3.5
85.02956	4.3
88.98836	4.8
93.03470	4.0
101.02473	3.0
121.02954	100.0
135.04498	17.0
135.19228	2.9
163.03993	4.1
165.35886	2.5
173.04555	17.5
191.05701	3.8
295.08203	6.3
322.21884	2.9
444.75903	3.1
501.32379	4.5
519.33185	14.9
543.28070	15.9
579.25989	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78659	0.4
55.01903	0.5
57.03476	0.5
59.01397	34.0
66.55165	0.5
67.66883	0.6
71.01395	15.0
72.99311	0.9
73.02969	1.9
75.00861	1.0
76.57550	0.6
79.10319	0.5
83.01398	2.2
85.02949	5.2
85.06602	11.0
87.00897	1.2
89.02458	17.7
92.10107	1.0
93.03484	1.0
95.01410	1.2
96.96052	2.2
101.02453	14.3
109.02956	0.9
111.00903	5.5
113.02462	8.4
113.06091	2.4
115.07644	1.2
118.98094	0.7
119.03513	7.0
119.05050	0.6
121.02985	2.2
121.74155	0.6
125.02392	0.6
127.07657	1.0
131.03513	0.7
131.07152	59.5
134.03745	0.9
135.03001	2.9
135.04532	5.8
137.02431	0.8
161.02550	0.6
163.03967	0.8
173.08211	1.2
179.03513	0.8
179.05669	0.9
191.05643	3.1
269.59219	0.5
293.12476	100.0
294.12753	0.6
343.08444	0.6
597.93298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47672	1.6
55.01896	12.2
57.03459	4.3
59.01390	41.7
71.01391	69.7
72.99319	9.5
73.02953	28.8
74.51426	2.2
78.95937	1.8
83.01402	11.9
85.02966	43.8
87.00911	2.9
89.02477	7.3
95.01397	8.4
96.96008	13.7
99.00884	8.8
101.02456	62.0
111.00840	2.1
113.02486	28.7
116.92869	3.5
121.02990	2.3
125.02440	2.1
126.60313	2.1
159.63634	2.1
161.04599	24.5
167.03734	2.1
193.04958	2.6
219.30075	2.2
267.08673	3.2
269.10367	14.5
313.09308	100.0
370.30670	2.3
390.07535	2.3
454.36536	2.3
513.66583	2.2
514.98657	2.5
535.45575	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	579.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	24.9
61.98843	15.8
71.01393	3.4
71.05046	0.8
73.02950	0.9
75.00880	1.7
82.95436	1.2
85.02958	1.2
88.98827	3.7
89.02452	1.9
93.03475	4.4
96.96016	2.0
96.96968	0.8
101.02484	1.2
108.02239	1.4
113.02456	1.3
115.07669	1.0
115.80659	0.9
119.05066	2.8
121.02960	100.0
135.04517	1.8
137.02451	3.8
145.02943	1.9
151.00334	1.1
162.03204	1.2
173.04561	2.1
178.02664	1.1
191.05638	1.8
193.05020	1.5
356.25427	1.0
357.26648	6.6
519.33069	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29121	1.2
54.83044	1.4
55.01891	2.4
57.03464	7.0
58.00616	1.5
58.67125	1.2
59.01389	100.0
60.99319	12.8
61.98834	46.1
71.01392	26.4
72.99324	3.2
73.02947	7.6
75.00886	5.5
76.58066	1.3
81.03518	1.5
82.95460	1.6
83.01399	6.3
83.05038	1.7
85.02956	15.9
85.63213	1.3
87.00875	2.3
88.98811	66.3
88.99352	2.5
89.02459	9.9
89.05013	1.7
92.10794	2.6
93.03506	5.0
94.90992	1.4
95.01431	2.6
96.96029	3.7
97.06566	1.4
99.00907	2.1
101.02473	20.9
108.02141	1.7
109.03000	1.8
111.00790	1.8
113.02466	8.9
116.92838	2.6
117.03499	9.2
119.05002	9.0
121.02995	17.2
134.03755	1.6
135.04568	2.2
137.02448	1.9
145.03004	25.7
161.02463	2.3
163.04027	5.7
173.04564	6.9
177.02045	2.1
191.05623	6.6
195.13815	1.8
232.11447	1.7
253.18007	1.8
331.24902	2.6
354.52518	1.6
357.26584	7.1
417.17584	2.5
475.29227	6.7
493.30319	23.9
519.31897	19.9
535.31348	45.0
552.21967	1.8
579.35376	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	579.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01387	35.9
66.94006	0.4
71.01395	2.7
72.99296	0.5
73.02955	0.4
75.00877	2.6
77.77315	0.5
82.22926	0.4
85.02969	2.2
87.04552	0.5
89.02460	2.1
93.03465	0.9
96.96033	0.9
98.95638	0.7
101.02462	1.8
108.02301	0.5
109.02981	2.5
113.02493	0.8
121.02978	3.0
123.00873	1.1
127.11310	4.1
129.02013	0.4
133.05083	2.1
135.03020	2.6
135.04564	1.8
137.02466	8.1
139.11330	1.0
149.02428	0.9
149.95479	0.5
151.00388	10.6
151.03992	0.6
152.01184	2.3
152.04811	3.0
155.10794	2.0
157.12358	22.4
160.01683	0.7
166.02731	41.8
167.03502	2.3
175.03954	2.1
177.01955	2.9
177.04076	0.8
177.05569	0.8
178.69868	0.5
181.05086	46.3
185.11876	12.4
190.06351	0.5
191.03679	0.6
191.05611	2.3
192.04266	1.0
193.05122	0.8
195.05287	0.5
203.12930	100.0
209.04604	0.7
217.83257	0.5
245.13979	36.2
260.12338	0.5
290.66193	0.5
359.11288	1.0
387.10892	11.1
402.13370	4.8
417.15652	48.2
418.16013	0.7
579.22321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.8
55.89994	0.5
56.92163	0.5
57.03461	2.2
59.01387	27.8
60.99322	3.4
61.98847	0.9
67.01884	4.4
69.03461	0.7
71.01382	11.9
73.02938	4.7
75.00883	1.0
81.03461	0.6
83.01411	2.4
83.05042	2.5
85.02970	6.2
85.62666	0.5
87.00913	0.9
88.98800	17.3
89.02457	3.9
93.02863	1.0
93.03459	27.3
95.01409	0.8
96.96018	1.0
101.02430	7.7
109.02956	2.5
111.00877	1.3
111.04529	6.9
113.02452	4.2
119.03503	1.4
119.05048	1.1
121.02959	30.7
125.02486	1.0
129.01921	0.6
135.04535	2.3
137.02428	7.4
139.11305	10.1
155.03519	7.7
160.01509	0.7
161.04585	2.3
173.04558	100.0
181.12357	4.9
183.08810	1.0
183.10286	12.1
191.05582	2.2
199.13403	4.1
216.71114	0.5
217.81905	0.7
225.11363	2.8
243.12404	28.7
254.76782	0.6
284.03299	0.7
312.02740	0.7
417.17746	62.8
418.17007	0.7
489.10382	0.7
519.33038	7.4
535.18005	2.3
579.19336	3.0
579.33569	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	579.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90675	0.4
54.23256	0.4
55.01897	0.5
56.78963	0.4
57.03474	0.4
59.01395	2.7
64.34856	0.4
66.17564	0.5
71.01407	3.0
76.97690	0.5
78.16735	0.5
81.03444	0.5
81.80651	0.5
85.02957	2.0
88.34261	0.5
89.02456	0.6
93.03478	2.3
95.01369	0.6
96.96040	2.3
101.02430	1.3
103.58212	0.5
103.82850	0.6
108.02181	91.0
109.02220	0.9
109.02965	27.2
113.02463	1.1
123.04513	0.8
133.03036	0.8
134.03732	0.6
137.02448	0.9
144.88576	0.5
151.04048	2.5
152.01169	72.1
153.01955	22.6
153.49565	0.5
158.59938	0.6
163.04010	0.8
165.01941	2.1
183.59688	0.5
191.05682	0.8
315.07285	100.0
316.07516	0.6
505.57428	0.6
574.66394	0.6
577.10376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22116	0.8
55.01880	1.5
57.03453	10.0
59.01108	1.7
59.01390	36.9
66.08673	0.8
69.00659	0.8
69.03460	2.0
71.01387	29.6
72.99304	6.4
73.02959	4.9
75.00875	52.5
76.57925	0.9
76.69130	1.0
79.38082	0.9
83.01399	4.6
84.02171	1.0
85.02961	25.9
87.00876	14.2
87.04495	1.3
89.02441	14.5
93.03456	3.6
96.96023	2.1
97.02956	3.7
99.00877	11.3
101.02447	10.9
109.02993	1.3
111.00884	4.6
113.02470	3.9
114.93402	2.1
115.04010	0.9
116.92888	3.1
117.01920	1.0
119.03502	1.7
119.05019	4.0
121.02962	9.6
129.01941	24.9
135.02972	1.8
135.11815	5.5
141.01913	3.4
159.03035	9.2
159.08128	1.0
159.11819	1.5
161.04517	0.9
161.09741	8.3
173.04500	1.3
177.04070	62.2
179.10814	16.0
191.03389	1.1
191.05640	4.6
195.05113	21.7
203.10895	1.7
205.08807	1.1
223.06062	1.1
223.09834	2.2
237.04108	1.2
297.07690	1.0
327.12592	2.1
339.12091	1.0
383.13553	2.1
401.14700	6.8
441.16080	1.0
443.15317	1.0
485.92017	1.1
487.82538	1.3
503.17987	2.0
519.24536	19.4
525.16742	2.0
561.18402	25.3
579.19421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.8
59.01390	7.2
59.73322	0.3
69.03464	0.6
71.01385	4.4
71.30040	0.4
73.02964	0.7
75.00860	2.9
80.02692	0.6
81.03455	5.0
83.01392	6.0
85.02966	1.9
87.00874	0.8
89.02431	3.1
91.05499	0.4
93.03464	4.2
95.01382	1.6
95.05038	7.3
96.96043	1.8
97.02955	11.9
99.04526	1.4
101.02448	1.9
107.05074	0.5
108.02183	1.8
109.02964	43.2
111.00896	3.6
111.04543	0.6
113.02443	0.9
115.00412	0.5
119.05026	1.6
121.02966	8.4
122.03755	2.5
123.04529	30.1
125.01516	0.9
125.02449	27.6
129.77287	0.4
133.02956	0.8
133.06613	0.5
135.03018	7.3
135.04533	5.6
137.02460	18.1
138.03223	0.9
139.04047	5.8
142.32690	0.4
143.05069	0.6
145.02945	3.0
146.03755	2.0
147.04527	1.5
149.02455	8.3
149.06085	0.6
150.03217	2.1
151.04028	17.0
157.06549	0.6
159.04517	5.8
160.05356	3.1
161.02490	3.0
161.06100	8.2
162.03215	2.2
163.04074	2.8
164.01201	6.2
165.01913	5.8
166.02745	1.5
167.03522	2.6
173.04614	0.8
173.05971	0.9
174.03206	0.6
175.02521	1.3
175.04019	4.3
175.07628	3.5
177.05585	1.7
179.02052	0.5
179.03525	10.1
179.05280	0.4
179.05754	0.4
185.06042	1.9
187.04021	8.4
188.04832	5.5
191.05620	1.8
199.07710	0.9
201.05602	0.9
202.06476	3.9
203.07182	23.6
203.09093	0.8
205.05101	11.9
212.04839	0.7
217.08649	1.4
221.08257	6.3
227.07216	4.2
229.05025	0.6
229.29266	0.4
230.05798	1.9
231.02965	0.7
245.08223	23.5
247.06194	1.5
255.10315	0.6
270.83600	0.4
271.06058	1.9
289.07230	100.0
290.07556	0.8
330.24396	0.4
341.09442	0.4
349.48215	0.4
357.15900	0.5
445.17273	0.5
457.15823	0.6
461.11005	0.5
579.13263	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26087	0.8
56.51195	0.7
57.03482	0.9
59.01385	27.2
61.98847	5.4
71.01405	4.6
72.99291	1.3
73.02946	1.4
75.00895	1.2
83.01391	9.3
85.02953	1.7
88.98830	1.7
89.02477	1.8
91.95406	0.9
93.03474	7.7
101.02460	1.9
109.02986	5.7
113.02499	1.2
113.97285	0.9
117.03475	1.2
119.05047	5.7
121.02958	100.0
122.03325	1.2
123.04550	4.2
125.02454	3.7
127.04089	1.0
133.02963	1.2
134.03743	1.2
135.04532	77.8
137.02437	8.6
140.48355	1.0
143.05107	1.0
145.02997	1.0
149.02444	6.8
151.00409	1.6
153.05539	6.1
155.03519	1.6
163.03906	1.2
167.03584	1.8
171.08157	1.0
173.04593	3.6
179.03444	1.3
191.05608	1.4
197.04597	5.5
197.06184	1.2
215.07190	6.4
223.08054	0.9
227.07187	1.2
241.05104	9.1
259.06168	4.9
277.07071	8.2
357.26471	5.7
399.10928	5.1
427.10205	3.5
439.10349	1.6
457.05539	1.2
457.11548	19.2
492.23080	1.5
519.26685	1.1
519.33795	14.1
579.15161	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87649	0.3
56.90833	0.4
57.03462	0.7
59.01385	9.9
60.99319	0.6
61.98836	9.6
63.02401	3.1
65.00329	11.7
65.20669	0.4
71.01398	2.3
71.07584	0.3
83.01385	8.1
85.02979	1.6
87.00902	0.5
87.04523	0.4
88.98801	9.6
89.02421	0.8
93.03451	9.6
101.02451	1.9
107.01397	23.3
108.02150	0.4
109.02940	0.7
113.02424	0.6
116.92940	0.6
117.03461	5.8
119.05029	54.1
120.05348	0.5
120.06705	0.4
121.02969	6.6
125.02438	7.1
131.01402	0.8
133.02948	0.5
135.04445	0.5
137.02458	1.6
143.05048	1.6
145.02972	23.4
151.00383	72.8
161.02466	0.6
161.06087	4.2
163.03972	3.4
164.01105	0.7
165.01926	4.3
169.01402	1.7
173.04559	0.6
175.00343	4.2
177.01958	8.2
177.50806	0.4
179.03590	0.6
185.06097	3.8
187.04028	4.4
189.01944	0.5
191.05655	1.8
193.01425	1.6
205.05139	0.5
227.07246	4.2
229.05139	0.6
253.18088	2.0
265.07120	0.9
271.06165	100.0
277.89236	0.4
295.06116	2.3
307.08267	10.3
309.04083	0.8
313.07333	2.1
353.59210	0.4
357.26385	1.7
380.27988	0.4
437.13596	0.4
456.16217	0.4
476.09372	0.4
519.33167	2.8
579.15234	9.8
579.24921	0.5
579.27472	0.4
579.36304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84980	0.7
59.01389	75.8
60.01738	3.7
61.98836	44.4
63.99255	1.4
64.34309	0.7
72.99318	1.1
78.95918	4.8
92.10133	2.1
92.65359	0.8
105.87408	0.9
119.79190	0.9
127.00539	0.9
144.94006	0.9
162.74440	0.9
242.08171	1.5
279.23334	100.0
280.23843	1.2
339.68909	1.0
381.10953	1.0
485.32980	1.6
486.33633	1.0
504.31070	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91813	0.4
54.09002	0.4
59.01389	49.5
60.47250	0.4
61.86787	0.5
61.98840	1.2
68.49540	0.5
69.03478	0.7
69.72338	0.5
71.01406	2.3
72.33579	0.5
72.99329	0.8
73.02941	0.8
75.00929	0.6
83.05042	0.6
85.02982	1.3
92.10226	2.4
93.03465	14.3
95.01390	0.6
96.96042	2.4
101.02459	2.5
108.02098	0.5
109.02967	1.4
111.04541	0.9
118.08485	0.6
121.02960	100.0
123.44295	0.5
133.02966	2.3
134.03758	1.0
135.03488	0.8
135.04535	22.8
137.02454	24.2
150.03238	2.8
155.03546	4.7
161.02484	4.4
163.04051	0.6
165.05571	1.2
173.04573	8.4
179.03580	6.0
191.05627	1.3
193.05075	0.7
241.05103	1.0
254.52356	0.6
277.07184	5.8
335.07922	11.2
353.06689	1.1
383.11356	1.3
399.10950	13.4
400.87280	0.6
428.63412	0.6
457.11633	2.6
519.33917	0.9
579.25983	1.3
594.04053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82695	0.1
55.61588	0.1
55.75050	0.1
59.01388	3.4
60.01723	0.3
61.01817	0.2
61.98837	100.0
63.05882	0.1
71.01394	0.3
79.95714	0.1
80.15257	0.1
80.96514	2.9
92.10172	0.2
94.98088	0.6
100.86082	0.1
110.02758	0.1
134.97498	0.2
152.98599	0.2
164.98662	0.5
225.00838	0.2
332.32413	0.1
471.57947	0.2
518.35114	0.2
578.27356	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02392	0.4
54.24841	0.4
59.01390	52.2
60.01731	1.2
61.98848	2.9
78.95904	20.0
95.77491	0.5
96.95995	0.7
102.77241	0.6
108.35588	0.5
136.51782	0.6
152.99594	4.5
168.04303	3.5
185.59195	0.5
224.06978	8.0
227.05133	0.5
242.08109	2.2
275.32782	0.5
279.23325	100.0
280.23648	1.0
452.32947	1.0
504.31033	59.4
517.35492	0.7
518.35571	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	577.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74649	0.2
59.01388	100.0
69.93397	0.2
74.31563	0.2
119.05063	0.3
159.89082	0.2
275.20126	0.3
293.22543	0.3
299.96118	0.2
345.00479	0.3
451.28720	0.5
469.29840	1.6
517.31500	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01766	0.7
59.01387	100.0
61.98835	9.9
64.85573	0.6
66.87663	0.7
79.87058	0.7
82.17566	0.7
83.79830	0.7
85.02959	0.9
85.29691	0.8
88.59322	0.7
93.03473	1.1
93.78712	0.7
99.00898	0.7
112.22240	0.6
121.02953	4.8
159.19620	0.7
173.04552	0.9
180.77498	0.7
191.05605	1.3
211.79811	0.8
355.25040	0.8
408.04691	0.7
466.21460	0.8
467.97226	0.7
469.29773	1.4
473.32388	1.6
481.30652	1.0
517.31812	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	577.4247
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
50.45953	0.6
50.47348	0.6
53.01758	0.7
115.92091	1.1
116.92856	1.4
136.89134	0.8
158.15808	0.8
221.83783	0.7
238.28802	0.9
259.20706	0.8
275.20248	1.0
277.21756	100.0
388.09830	0.8
455.72290	1.0
531.95941	0.8
577.25397	3.0
577.42535	50.2
578.42719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54296	0.9
59.01388	12.1
60.99306	1.1
61.98833	9.4
70.46774	1.1
80.03564	1.4
121.02943	4.3
164.07802	1.2
197.61383	1.1
243.23512	1.2
270.59363	1.0
346.65201	1.2
423.29114	5.3
436.26721	1.9
439.28427	1.7
441.30368	1.5
451.28754	8.1
457.29965	1.5
469.29645	21.3
487.30493	14.1
517.31799	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	577.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
59.38432	0.3
59.96254	0.3
61.98532	0.5
61.98842	10.0
71.03602	0.2
83.33125	0.3
92.10833	0.4
100.67391	0.3
105.09746	0.2
107.53767	0.3
113.09731	0.3
117.44240	0.3
451.32507	1.9
467.31949	0.4
517.35284	2.2
561.34863	0.4
577.37732	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04742	0.1
57.40211	0.1
58.69343	0.1
59.01388	20.3
61.35752	0.1
61.98837	100.0
62.98551	1.3
62.99269	0.5
63.27202	0.1
68.18027	0.1
71.68216	0.1
72.99325	0.2
82.95415	0.2
96.56078	0.1
112.67273	0.1
153.34857	0.1
223.59712	0.1
277.21735	0.2
278.22165	0.2
279.22754	0.6
384.64355	0.2
442.89014	0.2
451.32156	0.2
485.32678	0.6
517.35028	0.6
577.37726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29213	3.3
55.36552	4.1
59.01389	100.0
61.98827	4.8
75.00878	31.5
84.34505	3.5
92.27827	3.3
96.53073	3.6
104.61505	4.1
116.92877	4.5
161.20273	3.8
183.88460	3.3
200.78210	4.4
298.44537	4.1
330.15463	4.3
451.32199	5.2
517.35419	37.5
569.70660	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	577.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98835	6.6
63.00137	0.8
64.77274	0.8
72.76057	1.0
74.46610	0.7
88.98806	1.3
89.69345	0.8
128.59581	1.2
295.50177	1.0
309.78015	1.0
348.21713	0.9
447.68143	1.1
517.31665	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	577.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74372	2.4
59.01399	100.0
60.99322	12.6
61.98839	20.8
72.99345	3.0
87.00862	3.7
88.98811	50.2
89.02468	19.1
99.93091	2.4
114.66174	2.4
121.02994	3.4
177.61349	2.6
213.59906	2.5
262.19559	2.6
469.29541	3.5
485.32678	4.6
487.35123	7.4
517.32025	28.8
576.08588	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	577.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	6.5
58.00596	3.0
59.01385	14.0
61.98832	2.2
68.99818	0.5
69.03460	1.4
71.01377	15.6
72.99291	3.8
73.02931	1.1
75.00874	46.6
75.70665	0.5
83.01412	0.7
84.02175	0.8
85.02955	15.1
87.00875	12.1
87.04523	4.3
89.02464	4.1
97.02943	0.9
97.06585	0.6
99.00874	6.3
101.02462	2.1
110.79227	0.5
111.00869	0.8
113.02433	0.7
113.06075	0.9
119.04986	1.0
121.02952	2.2
123.08141	1.1
125.09720	15.2
127.11281	1.2
129.01956	12.3
135.00932	0.6
141.01953	2.1
145.02907	0.9
153.09190	1.1
155.10815	4.2
159.02977	3.1
171.10283	4.4
177.04062	50.7
183.10257	3.5
184.45828	0.5
201.11362	86.3
215.12917	3.4
230.08876	0.6
242.98392	0.6
250.80252	0.6
269.14023	0.8
274.71533	0.6
343.14252	4.3
377.79413	0.6
379.16223	18.0
381.22931	3.0
409.45718	0.6
415.23386	3.0
577.28754	100.0
578.29291	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40469	0.8
55.01900	2.2
57.03467	4.6
58.00606	1.1
59.01390	73.9
60.99309	1.6
61.98848	7.0
66.21553	1.2
69.03468	1.2
71.01393	47.0
72.99332	2.2
73.02963	6.3
75.00875	8.0
83.01402	5.1
85.02961	19.4
87.00915	5.2
87.04564	1.2
88.98824	13.9
89.02449	33.0
93.03495	6.9
95.01422	2.2
96.96027	9.9
99.00907	6.4
101.02449	32.3
103.00313	1.3
105.01971	1.3
108.02149	1.3
109.02981	21.1
111.00884	4.5
113.02464	17.9
114.47556	1.0
116.92860	4.9
117.92876	1.4
118.92662	3.9
119.00005	1.1
119.03511	11.0
119.05020	8.0
121.02970	17.6
123.04513	1.3
125.02420	1.4
133.02939	1.3
134.03760	2.4
135.03012	8.1
135.04524	24.2
137.02510	2.1
143.03433	1.6
143.05022	8.8
145.02986	4.4
149.06099	21.8
152.01224	1.5
157.53754	1.1
159.04529	2.4
161.02467	1.1
161.04675	2.1
161.06056	23.0
161.94562	1.4
162.03210	1.2
163.03987	5.0
163.07719	2.4
165.05568	2.2
170.53702	1.1
171.04564	9.0
172.72823	1.1
173.04582	2.0
174.03258	7.7
175.04016	2.7
177.04086	2.0
177.05553	19.2
179.03502	1.5
179.05614	7.5
187.09795	1.3
188.04724	4.5
189.05594	100.0
190.05928	2.3
191.05682	9.5
193.05075	2.2
203.07176	1.4
207.06624	13.0
221.04521	10.1
231.06630	2.0
311.07663	8.1
371.16840	1.0
393.46143	1.2
415.23477	10.4
426.89020	1.5
429.21558	1.6
455.13376	5.8
461.23895	1.4
517.30023	5.2
547.14380	1.2
577.14886	2.1
577.29028	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83270	2.3
55.38639	2.4
57.55594	2.0
57.96093	2.0
59.01394	14.2
59.05016	2.1
59.05977	2.6
61.98830	5.0
62.34036	2.0
68.62025	2.2
71.01404	12.3
78.98598	5.8
79.95744	22.2
80.96526	94.4
85.02982	3.0
88.98826	11.0
89.02472	17.9
91.66109	2.5
92.10898	5.2
94.98100	20.9
97.02999	2.9
106.98091	3.2
112.07354	2.5
119.22343	2.5
122.97545	3.7
125.02481	3.7
148.99124	11.3
152.98642	11.0
161.57538	2.7
164.98624	24.0
190.66875	2.5
219.98866	2.6
225.00801	21.0
277.21674	5.9
299.04395	4.5
393.97467	2.9
487.34283	15.2
501.32053	3.5
577.27014	100.0
577.36078	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	577.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38635	0.8
55.01899	1.2
57.03437	1.6
58.00602	0.9
59.01388	76.2
69.03457	1.1
71.01384	45.6
71.01782	1.7
72.99314	1.7
73.02946	16.5
75.00890	4.5
75.88696	0.9
81.78330	0.9
83.01387	1.8
85.02956	9.2
87.00880	3.7
89.02446	100.0
92.69228	1.0
93.03474	7.3
96.96000	14.6
97.02964	1.8
99.00879	26.5
101.02454	31.0
108.31960	0.9
111.00886	1.1
113.02457	6.6
115.00362	1.9
119.03516	1.5
119.05029	5.3
121.02953	9.0
123.04514	1.1
125.02450	2.1
127.04026	0.9
131.03506	12.1
135.02979	3.6
135.04552	2.1
137.02437	5.4
141.01782	1.0
143.03526	3.4
149.04572	47.3
151.65407	1.3
161.04567	4.7
163.04013	2.1
173.04515	1.3
191.05649	30.7
211.07787	1.2
220.10423	1.1
221.06744	7.5
223.13420	1.8
237.09242	1.2
245.53731	0.9
251.07706	5.9
293.08716	4.0
311.09735	10.3
327.08664	4.0
339.10837	3.5
358.77948	1.0
411.53821	1.0
469.68869	1.1
491.19214	1.0
517.22681	1.7
555.20758	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38921	0.8
53.23668	0.8
55.35409	0.7
57.61317	1.0
59.01390	51.4
60.01720	4.2
61.98844	7.6
67.00042	1.0
71.01389	11.2
71.01692	0.8
72.99333	1.1
73.02956	1.6
78.95944	1.4
78.98589	7.4
79.95744	14.9
80.96522	98.6
81.03471	1.3
84.45399	0.9
85.02974	4.4
87.00903	3.7
88.98847	1.1
94.98095	19.9
95.32499	1.1
96.96030	1.1
97.02999	1.2
101.02438	2.1
106.98118	6.1
122.97605	2.3
125.02448	4.6
127.03978	1.2
134.97604	6.4
136.99158	1.5
138.16371	0.9
148.99153	8.1
152.98650	7.2
155.99872	0.9
164.98668	15.5
189.56769	1.1
206.99823	1.7
214.44006	0.9
223.54837	0.8
225.00835	14.4
245.54773	1.0
263.65350	1.3
277.21820	5.1
278.22119	1.7
299.04462	1.5
353.55804	1.0
365.05225	1.2
405.01578	1.1
436.29291	1.5
485.32855	4.6
503.30121	1.7
516.33984	1.8
517.34802	5.3
549.37311	1.1
577.27045	100.0
578.27600	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	577.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27161	0.7
56.64792	0.6
59.01385	33.6
71.01369	5.5
72.99322	0.9
75.47745	0.6
85.02975	1.8
88.98814	1.4
89.02450	3.5
93.03473	1.7
96.96013	13.1
101.02454	3.6
109.02985	1.2
113.02445	1.0
116.92886	0.9
119.03532	1.3
123.04482	1.6
125.02445	3.6
130.68970	0.9
132.02203	7.2
133.02983	1.6
134.03746	55.3
135.04536	1.0
137.02460	7.1
147.04559	1.6
148.05292	0.8
149.06093	19.1
151.04047	1.5
160.01668	68.3
161.02225	1.0
168.71692	0.9
175.04016	100.0
176.04764	4.4
178.02757	13.9
189.43922	0.8
191.07170	6.7
193.05078	76.0
202.02805	1.0
217.05089	5.0
235.06154	12.9
265.07202	1.7
295.08377	5.8
318.15735	0.9
318.72180	0.9
324.23718	0.9
355.10400	55.3
397.11426	1.3
415.30582	1.0
569.53632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	9.4
57.03459	6.3
59.01386	41.5
71.01382	66.3
72.99307	2.3
73.02949	22.4
75.00880	1.4
83.01387	15.1
85.02950	44.1
87.00900	2.5
88.98804	3.0
89.02449	1.4
89.95538	1.3
92.10753	1.4
93.03473	2.0
95.01391	7.5
96.96011	7.3
99.00871	11.7
99.03890	1.2
101.02437	50.3
109.16907	1.2
113.02456	25.4
125.02467	2.8
129.01959	1.6
137.02461	2.2
146.33882	1.3
159.02997	5.5
161.04549	22.4
185.69455	1.3
191.05624	10.0
269.10358	16.3
313.09344	100.0
376.11496	1.4
509.90161	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68121	0.2
55.01883	0.5
57.03464	0.5
59.01385	12.3
69.03479	0.2
71.01384	8.5
72.99322	0.6
73.02937	2.3
75.00880	2.0
81.17940	0.2
82.29890	0.3
83.01411	1.9
85.02948	3.8
87.00900	1.1
89.02446	4.4
93.03477	1.7
95.01379	0.4
96.96014	0.4
97.02916	0.3
99.00892	1.8
101.02443	5.5
105.01974	0.5
107.05045	0.4
108.02168	0.3
109.02945	0.5
111.00900	0.3
112.46747	0.2
113.02462	2.8
119.03510	1.2
119.05028	1.2
121.02956	100.0
122.03282	0.4
123.04483	0.3
125.02423	1.1
125.06093	0.3
128.90088	0.3
129.01949	1.3
131.03494	0.5
135.03033	0.3
135.04530	4.0
137.02408	0.5
143.03545	0.3
149.00642	0.4
149.04552	0.5
159.03014	0.6
161.04547	1.3
161.09743	0.3
163.04013	0.6
165.04045	0.5
171.04515	0.5
172.05298	0.5
173.04588	0.5
177.04018	1.1
179.03506	0.3
179.05666	0.6
187.07663	0.6
191.05673	3.1
195.05132	0.4
205.08795	1.0
221.04677	0.8
223.13429	1.7
229.12088	0.3
251.11351	1.1
267.12396	1.0
284.03354	0.3
335.67410	0.3
344.39771	0.2
395.15619	3.7
429.17142	0.3
430.87018	0.3
445.17249	0.4
517.19226	5.2
517.30524	0.5
535.29230	0.3
538.13171	0.2
550.57367	0.3
577.21338	2.8
589.11969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93264	0.6
54.22160	0.7
55.01901	1.1
58.00613	0.9
59.01388	40.4
69.03472	3.7
70.20748	0.8
71.01386	28.4
71.01774	1.0
72.99323	1.7
73.02959	5.6
75.00880	8.2
81.03472	0.8
83.01409	4.5
85.02957	7.2
87.00900	2.0
88.78930	0.8
89.02447	21.0
92.10690	1.3
92.65991	0.9
93.03484	2.0
95.01409	1.5
96.96030	3.3
97.02960	4.9
99.00896	3.1
101.02447	16.3
101.03012	1.1
108.02211	1.0
109.02963	37.8
109.03690	1.7
109.39434	0.8
111.00882	14.5
113.02454	10.2
119.03561	8.7
119.05023	26.3
120.05367	3.6
121.02960	11.4
121.06600	0.9
123.04543	1.6
125.02463	5.6
131.03558	1.2
131.05016	1.0
133.06604	1.6
134.03841	1.4
135.03018	18.4
135.04546	48.5
136.03394	1.0
137.06084	1.3
139.04039	4.0
143.03516	1.7
143.05052	12.4
145.02985	1.5
146.03734	3.6
147.04562	5.1
148.05315	1.2
149.02452	4.9
149.06088	34.0
151.04027	4.1
159.03308	0.9
159.04482	6.3
161.02477	1.5
161.04605	5.5
161.06110	23.2
162.03276	8.1
163.04034	37.9
163.07689	1.0
164.04411	6.3
165.05615	1.9
171.04567	13.7
172.05304	1.3
173.02441	1.0
173.04636	1.1
173.06042	1.2
174.03252	6.4
175.04054	7.3
176.04842	1.5
177.04321	1.7
177.05597	72.4
178.06384	13.9
179.03535	5.2
179.05661	5.7
188.04733	7.0
189.05602	100.0
190.02718	1.3
191.03574	4.5
191.05653	5.3
193.08684	4.1
201.05586	4.1
203.03546	5.5
203.07224	0.9
205.05052	1.0
207.06657	13.6
219.02953	3.1
219.06641	1.3
221.04613	76.9
221.06619	5.3
231.06680	13.5
233.04677	1.2
249.07693	4.9
251.05643	1.1
267.08719	1.4
281.06726	1.9
282.07202	1.6
300.78036	0.9
311.07779	57.3
323.09915	10.5
377.68167	0.9
426.52078	0.9
455.13208	5.7
487.12607	1.9
499.12769	1.1
577.15057	8.4
577.29108	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	577.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.7
59.01399	1.4
67.01900	0.3
70.01900	0.2
71.01390	0.5
75.00880	0.5
76.03884	0.2
83.01397	1.1
85.02975	1.1
93.03465	0.7
96.95995	0.4
97.02966	0.5
97.69466	0.3
107.05064	1.7
109.02969	4.0
119.05027	1.1
120.05394	0.3
121.02968	8.9
123.04549	3.3
125.02460	15.4
131.07098	0.3
133.02986	1.4
134.03772	6.5
135.04539	100.0
136.04922	0.5
137.02463	4.3
137.03401	0.5
139.03970	0.5
149.02437	1.2
149.06102	1.9
151.04031	3.1
159.04530	1.1
160.01715	0.5
161.02452	4.5
161.06097	0.4
162.03294	0.4
163.00415	0.4
163.04037	1.9
164.01233	1.1
165.01950	0.7
172.27509	0.3
175.04059	4.2
176.04826	0.6
177.01933	1.2
178.02722	3.6
179.03542	0.6
187.04030	1.6
191.05627	4.0
191.07237	1.0
193.05087	9.5
201.05661	0.4
203.07260	1.9
205.01627	0.3
205.05099	1.1
217.05135	0.3
221.08218	0.4
223.02539	6.6
229.05124	0.3
235.06148	1.2
243.03008	0.4
245.08223	2.2
255.03020	1.6
256.03558	0.8
257.04651	0.4
273.04163	0.3
281.04636	0.5
285.04144	0.4
287.05685	0.5
289.07233	7.7
295.08301	1.8
299.05627	0.4
355.10474	2.7
407.07764	6.5
425.08875	2.7
451.10590	1.6
463.04370	0.3
563.76959	0.3
577.14020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12242	1.0
55.01908	1.5
57.02219	1.2
57.03471	8.4
59.01398	42.4
60.35876	1.6
61.98856	6.9
62.44187	1.3
69.03477	2.4
71.01395	21.8
72.99316	1.6
73.02965	6.5
75.00883	15.9
82.95431	2.2
83.01414	8.4
85.02958	16.9
87.00909	7.6
89.02441	13.5
93.03461	33.4
95.01425	2.1
95.05062	1.7
96.96001	15.4
97.02991	2.6
99.00904	2.3
101.02455	17.3
108.02165	1.9
109.02966	16.9
111.00897	2.4
111.04584	1.7
113.02459	18.4
116.92905	1.7
117.01881	1.2
117.03490	1.9
118.08612	1.1
119.03511	4.9
119.05051	25.1
121.02962	25.1
129.02002	1.8
133.02959	23.1
134.03748	2.8
135.02983	6.0
135.04532	77.0
137.02451	34.7
139.04002	6.4
145.03018	5.3
147.03058	2.1
147.04523	2.6
148.05331	5.3
149.06100	49.5
152.01231	1.7
159.04547	6.2
160.01714	2.4
161.02463	100.0
161.06052	14.1
163.04027	14.9
173.04604	5.8
173.06056	1.8
175.03989	9.3
176.04865	1.8
177.04070	4.7
177.05592	6.5
179.03543	5.6
179.05701	1.8
185.06064	1.6
188.04803	7.5
189.05557	6.8
191.05632	19.1
201.05600	8.3
201.11403	6.3
203.07153	2.6
211.07681	1.8
213.05588	11.4
217.91411	1.4
219.06714	8.9
221.04607	9.9
230.05815	1.4
231.06660	51.7
249.07764	5.3
263.05612	2.5
275.05649	16.6
311.07843	2.8
327.08981	1.4
413.21851	1.8
485.14728	2.4
497.14676	8.5
498.78622	1.5
517.22571	1.4
517.30060	9.3
559.14514	3.1
576.33661	1.6
577.15466	8.7
577.28088	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	576.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.5
59.17175	0.3
59.65890	0.3
61.98837	100.0
63.89178	0.4
69.69329	0.3
69.99989	0.4
76.93646	0.3
92.10040	0.7
109.67491	0.3
114.73594	0.4
200.78717	0.4
304.99023	0.4
379.28629	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	576.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97896	0.5
56.17852	0.5
56.84055	0.5
59.01387	18.7
59.01655	1.0
59.09484	0.7
60.79487	0.5
61.98838	1.0
70.12479	0.6
78.95903	8.0
127.18269	0.7
137.24881	0.6
146.62630	0.6
152.99557	1.1
168.04340	1.5
208.83449	0.6
224.06973	0.8
242.08049	2.5
248.31470	0.6
277.21777	100.0
278.22162	0.8
297.08420	0.7
452.13306	0.7
502.29520	36.6
525.99341	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01463	0.6
59.01389	27.7
61.94222	0.8
61.98848	2.7
65.09284	0.8
65.40189	0.6
75.00879	0.7
78.95918	27.3
80.96542	0.9
89.20911	0.6
89.80323	0.7
92.55286	0.6
100.19648	0.7
137.53622	0.8
141.51617	0.7
152.99629	3.4
168.04318	4.0
224.07010	9.2
233.22791	0.8
242.08090	0.9
248.69101	0.8
277.21762	100.0
312.16095	0.8
435.02695	1.0
497.02698	0.9
502.29483	63.3
577.27478	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02906	0.2
54.13567	0.1
59.01400	0.9
60.52618	0.2
61.98847	100.0
67.36555	0.2
75.91898	0.2
90.21048	0.2
108.65570	0.2
170.02666	0.2
180.17561	0.2
232.44302	0.2
255.09895	0.2
278.22137	0.3
589.14270	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08885	0.3
59.01384	1.7
71.01380	7.1
72.01756	0.3
73.05547	0.3
75.00887	2.8
76.61646	0.3
79.71469	0.3
81.72795	0.3
85.02967	1.5
89.02418	0.6
90.31213	0.3
93.03453	1.8
115.00379	4.2
117.01904	0.5
119.05030	74.0
121.02960	29.3
122.03308	9.1
123.42805	0.3
126.10094	0.3
133.01524	0.3
135.03006	14.3
135.04559	0.5
137.69659	0.3
144.64957	0.3
145.02972	0.4
163.04027	100.0
164.04320	0.4
168.34746	0.3
171.86414	0.3
191.05641	14.1
192.05956	4.0
195.66307	0.3
211.07668	1.6
222.05479	0.6
237.04089	2.1
238.04440	0.7
281.06717	19.2
307.46045	0.3
327.08694	0.5
337.09256	0.5
338.09689	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54109	0.5
55.01888	0.7
57.03456	1.0
59.01390	9.4
61.98844	0.9
69.03473	0.5
71.01388	11.0
72.99327	2.1
73.02944	3.4
75.00874	22.2
77.10203	0.5
80.82839	0.5
83.01390	1.8
83.05073	0.6
85.02969	5.0
87.00891	0.8
89.02467	5.8
93.03455	5.6
94.33081	0.5
95.01393	0.9
99.00883	0.9
99.95634	0.5
101.02433	4.7
109.02986	0.9
113.02439	3.4
117.01936	2.5
117.03460	0.8
119.05029	100.0
120.05388	0.9
121.02940	6.0
122.03334	0.6
135.03009	76.0
135.04645	2.0
137.02432	1.8
145.02959	3.7
159.02998	0.9
161.04565	9.7
161.05917	0.8
163.04031	55.9
164.04428	0.7
165.81995	0.4
173.04553	4.7
177.05560	0.5
188.05730	1.1
189.05644	0.7
191.04163	0.4
191.05597	4.1
208.63029	0.5
211.03954	0.8
269.04477	0.7
281.06699	18.2
283.92490	0.5
294.09756	0.7
307.03040	0.6
344.89551	0.5
458.14993	0.6
514.56689	0.6
549.29022	1.9
576.17267	10.0
577.15314	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12322	0.5
57.10145	0.5
59.01392	9.7
61.98854	1.2
71.01390	12.7
71.01732	0.8
72.99334	1.1
73.02972	3.5
73.77818	0.6
74.03712	0.6
75.00882	20.2
80.02660	0.6
80.91776	0.7
81.03468	0.6
83.01392	0.8
83.37524	0.5
85.02963	6.6
87.00914	1.4
89.02460	6.6
93.03468	4.6
95.01423	1.3
95.82101	0.6
96.96013	1.1
99.00866	1.5
101.02458	6.4
109.02982	0.8
109.17861	0.6
113.02483	4.7
115.00344	0.7
117.01962	1.5
119.05032	100.0
121.02954	6.1
123.40369	0.7
129.01906	0.7
135.03009	76.4
135.04608	2.0
137.02402	1.0
145.02972	2.5
151.07365	0.7
153.01978	0.7
161.04588	8.8
161.05911	0.9
163.04030	58.4
173.04567	3.8
177.05612	1.3
188.05676	1.1
188.21173	0.7
189.05484	0.9
191.05676	3.5
239.03558	0.6
269.04556	1.1
281.06714	16.1
294.09982	1.5
294.86746	0.8
302.58093	0.8
359.12759	0.6
375.86292	0.7
576.17328	8.9
577.15765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3601
Annotation	Agosterol A
Peak:m/z	Relative Intensity
51.42891	0.6
55.54754	0.5
56.81694	0.7
59.01390	100.0
82.23898	0.7
82.49184	0.7
88.32793	0.5
92.10773	1.2
110.29058	0.6
120.06472	0.6
140.48715	0.6
143.28036	0.6
158.94934	0.7
266.09689	0.8
364.71021	0.7
405.12946	0.7
407.14978	0.6
449.30988	1.1
515.34033	4.7
575.35742	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	575.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19217	40.6
61.98849	85.5
84.83678	46.9
87.98255	43.1
92.10802	100.0
119.26147	47.9
289.25970	55.0
308.89310	55.6
417.51529	54.2
578.41748	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02172	2.9
51.71373	2.9
55.87598	2.7
57.00178	2.9
59.01394	3.0
65.14486	2.8
92.28260	3.7
98.24813	3.9
100.09496	3.1
103.82304	3.4
142.40268	3.5
151.11256	3.6
161.09686	5.1
179.10820	29.0
185.10411	3.6
197.11858	100.0
220.90656	3.1
241.10797	14.3
244.87701	3.3
277.21780	66.7
297.13373	5.8
315.14459	7.7
327.42664	3.5
575.35968	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.36
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61343	1.8
52.77748	1.6
58.57680	2.1
69.03468	10.9
71.01415	2.3
71.05031	2.0
97.06576	2.3
103.73828	2.0
123.08212	2.1
125.09728	3.0
151.11331	7.9
161.09753	10.4
179.10768	25.3
179.85048	2.1
180.05354	1.9
185.41238	1.8
197.11855	100.0
241.10855	11.8
277.21799	66.6
297.13354	3.5
315.14417	14.1
326.76465	2.6
399.62625	2.4
528.93658	2.1
575.35980	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55753	0.8
54.83106	1.0
59.01383	20.1
61.98834	1.6
71.01390	1.7
73.02979	1.2
73.15588	0.9
75.54727	1.0
85.02972	1.2
89.02453	2.2
94.95329	1.1
101.02455	1.3
107.78988	1.0
128.58588	1.0
156.42775	1.0
161.04610	1.4
173.56718	1.0
209.11786	1.4
234.86365	1.1
253.09344	8.9
279.23328	100.0
497.28485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	20.7
61.98833	1.0
64.44022	0.2
71.01383	2.6
73.02946	0.5
82.26950	0.2
83.01389	0.3
85.02953	0.5
87.00862	0.4
89.02448	2.3
92.66516	0.3
101.02435	3.2
108.51674	0.3
113.02489	1.3
113.11261	0.2
113.26982	0.3
119.03519	0.6
133.83780	0.3
161.04625	0.3
200.64078	0.2
207.18510	0.3
235.08318	1.1
253.09343	9.9
279.23337	100.0
280.23654	1.7
383.02280	0.3
467.31912	1.5
485.32904	0.6
536.71478	0.3
576.70258	0.3
596.34430	0.3
597.93896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11750	0.8
59.01389	100.0
60.54760	1.0
61.98839	18.7
71.01392	23.3
73.02964	6.6
83.01407	2.0
85.02944	12.8
89.02466	5.0
92.10109	2.8
94.00352	1.0
95.01391	1.1
99.00857	1.6
101.02459	18.2
103.94016	1.0
113.02457	8.2
121.02937	1.7
131.03514	11.2
149.04536	1.2
158.43382	1.1
161.04553	12.0
229.59862	1.3
293.21216	1.8
383.24411	27.9
392.61816	1.4
497.29224	6.2
503.33862	1.4
515.29205	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	575.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	7.4
59.01387	54.6
60.33968	1.8
61.98852	13.1
62.41666	1.6
71.01402	8.6
71.05019	2.3
72.99306	1.8
73.02954	3.0
81.03477	1.9
83.01397	2.2
83.05031	2.3
85.02979	2.6
85.06631	2.5
87.00940	1.7
87.04533	2.1
89.02457	3.5
93.03435	2.9
96.95997	1.6
101.02469	3.4
101.06126	7.4
111.08192	8.3
113.02459	2.5
116.68455	1.7
119.05020	2.1
121.02953	7.8
126.94611	1.7
135.08215	1.5
139.11287	7.1
140.84599	1.5
147.04439	1.8
151.00417	2.6
168.11552	2.8
169.12415	5.6
173.04633	6.7
178.99843	2.0
179.05647	1.9
183.13928	10.7
191.05684	3.1
197.15442	3.7
209.11911	2.7
210.06804	1.7
251.20132	7.0
309.24356	9.5
329.02185	1.8
353.23398	100.0
365.49643	1.8
377.23059	5.2
386.85004	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94057	10.4
58.55538	10.9
59.01390	100.0
61.98857	58.4
62.75696	10.9
69.55749	11.1
78.09235	11.8
85.61416	12.8
87.00874	20.2
92.10772	33.6
135.75862	13.8
194.61411	12.8
515.30231	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	574.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38066	1.2
57.03458	1.3
59.01390	23.3
60.01718	1.3
61.98840	100.0
67.28516	1.2
71.01393	23.0
72.01744	1.7
73.02972	7.3
83.01412	1.8
85.02975	7.1
89.02448	13.2
93.03490	1.4
99.00883	6.6
101.02473	12.5
102.02763	1.4
103.01408	1.3
103.67130	1.3
113.00214	1.3
113.02473	5.5
131.03523	2.4
149.04575	2.6
154.40645	1.4
173.74681	1.4
191.05679	2.7
201.98776	1.4
203.86726	1.3
226.60388	1.2
273.13135	1.4
393.88834	1.4
405.91229	1.4
506.81982	1.5
513.27362	12.0
514.27454	31.9
517.31799	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	575.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
62.43335	0.3
66.70934	0.4
66.84329	0.3
71.01383	18.3
85.02979	2.5
87.00884	0.6
93.03477	1.6
104.28784	0.3
115.00384	9.0
117.14262	0.3
119.05008	0.4
121.02958	100.0
127.04008	0.6
163.04012	0.6
173.04607	0.4
175.69925	0.5
191.05638	45.0
237.04068	10.6
243.45195	0.3
337.09332	8.2
563.74493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51518	0.5
54.48199	0.4
57.03469	0.7
59.01395	8.8
63.12361	0.5
71.01405	5.4
72.23376	0.5
72.99322	2.1
73.02966	2.2
75.00881	21.9
85.02971	0.8
85.06614	3.3
87.00896	3.5
89.02466	10.2
93.03474	0.6
96.96045	2.2
101.02449	2.5
113.02458	1.1
114.40272	0.5
117.01949	3.6
119.03616	2.0
119.05032	61.9
121.02962	9.8
125.02420	1.0
131.03752	0.7
131.07143	11.8
135.03014	80.2
135.04488	5.6
141.93854	0.6
145.02950	1.2
155.99245	0.5
163.04030	100.0
175.08879	0.6
177.30569	0.5
191.05611	1.2
261.08902	0.8
281.06702	19.8
285.04196	0.7
293.12482	25.0
509.52890	0.5
511.66934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82673	0.3
57.77417	0.3
59.01389	17.1
60.03738	0.3
62.83290	0.3
71.01376	3.5
78.95915	0.5
85.02969	0.9
89.02452	3.1
90.04975	0.4
91.70420	0.4
92.10776	0.8
101.02455	3.6
113.02444	1.6
161.04562	0.6
235.08263	0.9
253.09334	9.4
259.20517	0.4
277.21765	100.0
278.22098	1.6
409.10513	0.4
524.96820	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43096	3.0
54.33944	3.1
55.01889	3.5
55.52312	3.0
59.01387	57.0
61.98832	35.3
71.01382	30.2
72.01731	5.6
73.02938	7.9
82.59466	3.7
85.02968	5.7
87.00915	4.0
89.02449	29.1
91.68609	3.1
92.10771	4.4
93.03455	4.0
99.00891	6.9
101.02469	23.5
113.02480	6.8
114.38950	3.5
121.02949	7.2
131.03494	6.4
149.04625	6.0
173.04451	5.4
209.11861	100.0
227.12833	18.6
245.47841	4.1
381.22876	7.0
475.02429	4.1
513.27344	5.6
514.27448	50.7
574.28143	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3221
Annotation	Amphibine A
Peak:m/z	Relative Intensity
59.01387	1.7
61.98840	100.0
61.99168	3.4
68.08862	1.7
84.00930	11.5
113.52447	1.8
130.27840	1.8
299.06311	2.0
313.54602	2.0
487.34210	24.5
490.35370	2.9
510.19141	2.4
534.00104	1.9
572.32208	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50406	0.6
54.26357	0.5
61.98817	0.6
62.39415	0.6
64.34876	0.8
73.58089	0.7
78.32603	0.7
81.18725	0.6
83.20165	0.7
92.10799	1.6
92.64574	0.7
97.35397	0.6
99.92593	8.8
116.92863	100.0
117.92902	0.8
176.34984	0.7
236.77312	0.8
245.40999	0.8
274.34216	0.8
292.06625	0.7
345.29312	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61045	0.2
61.60260	0.2
61.98836	100.0
72.53153	0.2
79.94559	0.3
93.03459	1.1
95.08950	0.2
99.86823	0.2
101.96404	0.2
108.13800	0.2
116.92834	0.3
121.02971	2.2
121.94418	0.2
122.03286	0.5
124.53870	0.2
137.02428	0.9
223.40663	0.3
315.10648	0.3
554.16803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55492	0.6
59.01394	2.7
61.98835	100.0
93.03477	5.4
94.03823	1.0
96.97033	0.7
99.65198	0.6
100.98669	0.6
121.02944	9.8
122.03290	3.7
137.02473	2.9
138.02786	1.6
173.04535	1.7
258.21918	0.7
312.94092	0.7
426.51868	0.7
546.50513	0.7
554.18121	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03876	0.4
59.01389	27.6
60.01725	2.5
61.01806	3.3
61.98837	100.0
71.01394	0.9
73.13924	0.4
80.70287	0.3
89.02460	0.9
93.03464	2.6
97.02925	0.4
111.04541	0.4
116.51408	0.4
119.05028	2.6
121.02948	8.1
122.03281	2.0
124.56149	0.4
135.04535	2.1
135.65723	0.4
136.04944	0.5
137.02441	0.6
137.21951	0.4
145.02960	0.5
145.98837	0.4
155.03503	0.5
163.04024	0.7
164.04445	0.4
170.48497	0.4
173.04536	5.5
174.04924	0.9
178.09473	0.4
191.05600	2.2
209.21863	0.4
295.08200	0.4
296.08548	0.5
372.24838	0.5
421.19321	0.5
450.14844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91889	0.7
59.01388	4.2
61.98838	100.0
77.17242	0.8
82.95458	1.1
86.02039	0.8
93.03454	9.6
94.03811	1.1
94.79675	0.8
119.36909	0.8
121.02136	1.4
121.02962	24.7
122.03266	6.7
137.02486	9.2
153.97600	1.0
162.95772	0.8
170.34418	0.9
173.04623	1.7
209.11823	6.7
210.12160	1.3
290.48221	0.9
571.18884	1.3
572.18457	1.7
572.32184	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	572.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.6
59.25345	0.1
59.39276	0.1
60.01717	0.1
61.01808	0.2
61.98837	100.0
67.63676	0.1
71.01401	0.6
85.02975	0.1
86.60745	0.1
93.03469	0.2
121.02142	0.2
121.02966	5.0
122.03290	2.4
123.03458	0.6
135.04504	0.7
136.04851	0.3
163.04082	0.1
167.10774	0.3
191.05608	0.2
197.06302	0.1
199.74689	0.1
373.26071	0.2
381.70825	0.1
397.37292	0.1
511.25394	0.2
512.25452	0.7
569.34418	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	571.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72601	1.0
59.01388	29.0
61.98839	11.2
71.01388	5.8
82.95402	9.2
89.02451	2.6
99.37045	1.3
101.02470	2.7
111.11294	1.4
121.03028	1.7
161.04509	1.6
231.21228	2.6
253.09344	15.9
275.20209	100.0
337.24390	1.3
571.31097	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	571.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	5.6
58.91837	2.6
61.98841	3.8
65.88958	2.5
68.94862	2.4
69.25364	2.6
71.01393	2.6
73.67574	2.9
78.95928	4.2
99.00877	98.2
114.38973	2.7
152.99582	12.0
170.90906	2.7
255.23389	3.7
471.34915	100.0
571.36591	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	572.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69050	0.1
53.49073	0.2
55.31533	0.1
59.01373	0.2
61.98837	100.0
69.03482	0.5
82.95444	0.2
84.00903	0.2
85.48225	0.1
95.88599	0.2
107.01393	0.2
121.02949	0.3
125.02449	0.8
126.02723	0.2
134.87509	0.2
137.67174	0.2
143.89485	0.2
151.00360	0.3
152.00725	0.2
153.00832	0.2
167.87215	0.2
210.80453	0.2
242.05969	0.2
244.06712	0.2
290.86768	0.2
333.91064	0.2
487.34082	0.9
489.34818	0.6
512.15137	0.4
571.36115	0.2
572.32050	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63084	0.1
52.30359	0.1
55.61108	0.1
57.03445	0.2
59.01385	10.8
59.32178	0.1
60.14096	0.1
61.98845	0.7
67.01910	0.1
71.01377	1.7
72.99294	0.2
73.02959	0.6
75.00893	0.4
83.01382	0.7
85.02959	1.9
87.00874	0.9
87.58471	0.2
88.29799	0.1
88.98845	0.2
89.02433	1.3
89.03963	0.2
93.03460	0.3
95.01352	0.2
96.95995	0.2
97.02988	0.2
99.00883	0.3
101.02431	1.4
109.02936	0.2
111.00896	0.2
113.02457	2.4
117.03469	31.3
119.05013	1.8
121.02970	1.7
122.03277	0.3
125.02504	0.2
130.51021	0.1
134.03708	0.2
135.04530	1.1
136.04831	0.2
143.03471	0.3
145.02966	100.0
146.03343	0.2
149.02449	0.2
150.03159	0.2
152.60909	0.2
152.66066	0.2
161.04581	0.6
163.04042	1.6
177.01932	0.6
178.02246	0.6
191.05664	0.3
192.04182	0.2
195.06720	0.2
203.05525	0.2
208.33438	0.1
233.67047	0.1
242.18274	0.2
243.63930	0.1
250.61116	0.2
319.24411	0.2
323.09897	1.4
343.12198	0.3
347.13052	0.2
349.09576	0.4
362.18048	0.2
365.10876	0.7
383.12155	0.3
451.12579	0.2
469.13727	0.2
511.14774	3.6
529.15784	0.8
571.16718	3.5
571.24902	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	571.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86704	0.2
55.33560	0.2
57.03473	0.3
59.01386	12.5
70.00280	0.2
70.01615	0.2
71.01385	4.8
72.99294	0.3
73.02948	2.1
73.81544	0.2
75.00892	0.4
83.01404	1.3
85.02969	1.6
87.00867	1.8
88.98840	0.3
89.02448	3.9
92.10883	0.4
93.03475	0.4
95.01408	0.3
96.95999	0.3
97.02938	0.4
99.00878	0.3
101.02466	2.7
113.02470	3.1
117.03471	33.7
119.03555	0.5
119.05028	4.3
121.02961	34.6
122.02501	1.2
131.09950	0.3
137.02469	0.5
145.02971	100.0
147.04518	1.0
161.04619	0.5
163.04025	3.1
165.05524	0.5
179.05621	1.2
185.11948	0.3
191.05583	1.5
239.05643	3.7
307.08420	1.8
341.11002	1.2
383.11905	1.7
511.14600	2.1
511.24158	0.3
529.15851	1.9
570.24969	0.4
571.16589	5.7
571.24884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.2
59.01388	7.2
59.42717	0.2
69.85703	0.2
71.01383	2.1
73.02944	1.7
83.01414	0.5
85.02960	1.1
87.00854	1.5
89.02447	2.0
92.10146	0.3
94.28165	0.2
95.01385	0.3
97.02978	0.2
99.00877	0.3
101.02434	2.1
113.02464	2.4
116.92864	0.5
117.03469	31.0
118.92699	0.2
119.03493	0.4
119.05019	2.3
125.02439	0.3
128.55859	0.2
143.03543	0.4
145.02966	100.0
146.03325	0.3
161.04549	0.2
163.03989	1.8
179.05580	0.2
188.91905	0.2
191.05661	0.4
307.08264	1.8
319.84613	0.2
341.10892	0.9
383.12006	1.9
467.44031	0.2
511.14590	0.5
529.15802	1.1
571.16754	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	571.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72638	0.3
54.91424	0.3
58.04467	0.3
59.01392	6.7
71.01400	2.6
73.02958	1.7
75.30549	0.4
83.01425	0.6
85.02964	1.4
87.00893	2.8
89.02425	0.6
92.10150	0.4
96.96071	0.5
101.02453	2.1
113.02457	2.5
117.03476	30.7
119.05035	2.3
125.02389	0.4
128.05704	0.4
132.77420	0.4
135.03046	0.5
137.02510	0.4
145.02972	100.0
146.03645	0.5
149.02437	0.4
150.03223	0.8
163.04024	2.6
164.04817	0.6
165.05594	0.6
171.04890	0.4
175.04015	0.4
179.07155	0.5
191.05618	0.6
195.06651	0.6
293.73477	0.4
307.08295	1.8
383.11954	2.0
470.74411	0.5
571.16815	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	571.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37568	0.2
55.24258	0.2
57.03447	0.5
57.76922	0.3
59.01385	13.5
69.03473	0.4
71.01385	3.1
72.91949	0.3
72.99306	0.4
73.02960	1.6
73.07383	0.3
75.00878	0.5
83.01410	1.5
85.02940	3.2
87.00892	1.9
88.98859	0.3
89.02466	1.8
93.03476	0.7
95.01372	0.5
96.96037	0.6
96.99509	0.4
97.02968	0.3
99.00881	0.7
101.02450	3.5
108.02201	0.6
109.02968	0.7
111.00882	0.5
113.02450	3.0
117.03467	31.9
119.03533	0.3
119.05021	3.2
121.02941	3.3
125.02430	0.6
129.01958	0.5
135.02995	0.4
135.04477	1.0
137.02496	0.5
143.03523	0.3
145.02963	100.0
146.13919	0.3
149.02478	0.4
153.01880	0.5
159.03004	0.3
161.02446	0.6
161.04572	0.5
163.04039	2.6
173.04794	0.4
177.01874	1.4
179.03510	0.5
191.05698	2.6
240.79892	0.3
270.19009	0.3
323.09875	1.5
349.09296	0.5
365.10944	1.5
382.23312	0.3
511.15240	2.7
511.27692	2.5
571.16876	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	569.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.5
61.98848	3.1
61.99105	0.6
65.56570	0.4
80.91628	2.1
82.95381	0.5
96.46657	0.4
114.38737	0.4
114.43617	0.4
121.02862	0.6
204.15564	0.5
257.33981	0.5
257.36829	0.4
469.33350	1.0
487.34369	100.0
488.34695	2.8
569.34741	55.0
570.35248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.347
Annotation	Tyromycic acid B
Peak:m/z	Relative Intensity
59.01382	2.6
61.98827	4.4
65.72173	1.1
68.02683	0.9
73.35995	1.0
84.16816	1.0
87.10005	0.9
93.03469	1.2
96.93065	1.1
109.03580	0.9
137.02435	1.1
140.42395	0.9
173.46054	0.9
221.69949	1.1
236.91795	1.2
261.68506	1.0
423.33151	1.1
469.33475	12.1
487.34570	32.0
569.34735	100.0
570.35181	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	570.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
64.34721	0.8
68.81150	0.7
72.92561	0.8
79.80437	0.8
97.20369	0.8
121.02999	0.7
129.44081	0.7
487.34534	1.7
488.34763	3.6
551.57739	0.9
569.34485	1.1
570.35486	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	570.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30827	0.3
51.62074	0.4
59.01392	3.9
61.27099	0.4
61.98838	100.0
71.01389	0.9
72.99287	0.5
85.02969	0.5
87.04523	3.9
88.04865	0.6
89.02430	0.8
93.03471	4.3
96.96008	0.7
101.02433	1.0
109.02947	0.7
110.64368	0.5
119.04996	0.6
121.02970	5.4
122.03252	0.5
136.01665	0.5
137.02437	2.6
138.13260	0.5
145.03023	0.6
150.29930	0.5
173.04581	5.4
188.46603	0.5
191.05586	1.8
199.81886	0.5
200.94673	0.5
285.04022	2.3
295.08292	1.9
356.04163	0.5
362.13040	0.5
397.66504	0.5
510.26440	1.7
510.36292	0.7
524.84662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.9
61.98843	100.0
69.60032	0.3
71.01399	0.5
71.74352	0.3
81.94070	0.3
83.01435	0.3
85.02949	0.3
87.04498	0.3
89.02454	0.5
93.03447	3.5
94.33184	0.3
96.96017	3.1
115.92100	1.9
116.92863	1.8
121.02940	3.3
134.03690	0.5
137.02452	3.4
143.02164	0.4
145.03009	0.7
163.04120	0.4
173.04556	4.3
191.05595	0.5
231.10431	0.4
246.44067	0.3
295.08383	0.5
307.70450	0.4
366.75220	0.3
449.14505	0.6
510.36227	0.4
534.29669	0.4
541.04651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83549	0.2
51.05927	0.2
52.22092	0.2
59.01393	9.9
69.03448	0.3
71.01388	3.6
72.16676	0.2
73.02954	2.4
75.00872	0.4
83.01407	1.0
85.02967	1.7
87.00876	2.7
89.02448	3.5
92.10114	0.6
93.03488	0.6
95.01388	0.4
96.95979	0.7
99.00859	0.4
101.02451	3.7
108.36233	0.3
109.03035	0.3
113.02461	2.6
117.03473	30.7
119.03490	1.3
119.05022	3.4
121.02956	23.5
125.02483	0.3
131.80801	0.3
137.02405	0.4
141.97878	0.3
145.02968	100.0
146.03336	0.4
147.04562	0.6
159.67453	0.3
161.04524	0.5
163.04002	3.3
165.05586	1.1
173.04582	0.3
179.05611	1.1
185.11804	0.5
191.05580	1.2
194.46924	0.3
239.05620	2.8
295.27518	0.3
307.08261	1.7
341.10794	1.1
383.12021	1.8
509.22430	0.3
511.14651	1.4
529.15625	1.4
571.16699	4.7
571.24969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90670	0.6
54.93009	0.7
58.75832	0.6
59.01380	0.8
60.47009	0.7
61.98845	1.5
67.22932	0.6
71.11508	0.7
77.31236	0.7
80.91694	3.4
83.41650	0.7
86.64973	0.8
92.65337	0.9
135.26807	0.7
143.33412	0.7
271.68945	0.8
295.88977	0.8
328.50076	0.9
487.34372	100.0
488.35220	1.4
569.34485	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01344	1.0
61.98782	2.4
80.61089	0.4
80.91690	4.5
88.14335	0.4
90.82775	0.5
136.59970	0.5
140.58688	0.5
143.63945	0.5
148.00453	0.4
185.20421	0.4
238.72745	0.5
347.54730	0.5
487.34384	100.0
488.34586	1.7
569.34705	50.9
570.34882	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20919	0.4
54.82798	0.5
57.50522	0.4
58.92455	0.4
59.01365	1.0
61.98812	2.6
61.99112	0.5
74.80192	0.4
80.91673	4.9
82.56814	0.4
94.44845	0.4
197.26474	0.5
235.31308	0.4
363.35455	0.6
393.60709	0.5
487.34393	100.0
488.34567	2.3
569.34741	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47840	0.7
55.01874	0.9
57.03459	1.0
59.01388	56.9
60.99352	0.9
61.98856	0.8
65.66184	0.8
71.01398	5.0
73.02969	1.5
74.64155	0.9
78.38795	1.0
84.53069	0.8
85.03017	0.8
87.00901	1.6
88.98827	1.1
89.02494	2.1
93.03445	7.9
96.96027	5.4
101.02477	1.9
108.02217	3.2
109.02991	1.6
111.04539	1.3
112.33112	1.0
113.02480	2.0
119.05040	2.0
121.02961	100.0
124.01691	1.1
125.02482	1.4
135.04527	13.4
137.02499	1.1
145.03038	0.9
149.09746	4.3
151.04071	1.0
152.01199	1.0
153.09268	1.5
155.03513	1.2
158.48010	0.9
161.02371	1.3
163.04076	3.4
167.10791	4.0
173.04575	13.0
175.03998	0.8
191.05646	3.2
197.06175	0.9
202.92131	0.8
211.07745	1.2
244.17107	1.0
273.07770	1.4
295.08322	2.0
371.24457	1.3
429.11273	1.0
509.23813	1.7
529.20221	0.9
569.22528	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	569.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	71.0
61.98837	27.7
63.99267	3.2
67.89890	2.9
70.74413	2.9
82.10760	2.9
83.05035	6.9
88.98830	4.0
93.03471	27.4
95.31701	3.0
109.06626	27.2
119.15924	3.1
126.48328	3.2
135.08208	3.8
137.02477	27.6
163.11327	18.3
185.11830	4.0
207.10315	44.7
209.11856	100.0
225.11340	17.4
227.12834	15.9
299.15152	4.2
447.24158	3.8
453.30261	25.1
473.25369	17.5
491.26688	8.1
501.31970	6.0
509.27646	13.5
569.30884	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	569.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	100.0
67.40342	0.2
71.01379	0.5
72.59760	0.2
76.62772	0.2
107.26449	0.2
119.05080	0.2
121.02962	27.3
135.04535	7.9
139.17413	0.2
140.18971	0.2
163.04031	1.1
240.75163	0.2
299.41556	0.2
509.24228	0.3
569.26410	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83129	0.4
57.03454	2.3
59.01389	28.7
60.01731	0.5
61.01800	0.5
61.98841	0.8
69.03457	2.1
69.66977	0.4
71.01379	7.4
72.99333	0.4
73.02946	0.8
81.03471	0.4
83.01397	0.7
83.05042	0.5
85.02968	2.2
87.00869	0.4
88.98788	0.7
89.02438	3.0
92.10117	0.9
93.03474	1.8
95.01385	1.0
96.96025	0.9
99.04494	0.8
101.02446	2.6
107.01386	0.5
108.02193	9.9
109.02991	4.6
113.02467	2.3
117.03474	0.5
119.03523	0.7
119.05058	1.9
121.02960	100.0
122.03216	0.5
123.00917	0.6
124.01687	0.7
125.02438	4.2
130.44939	0.4
133.34950	0.4
134.07343	0.8
135.00899	0.8
135.04544	22.5
137.02487	1.7
145.02936	0.8
149.09737	7.6
149.99588	0.6
151.03960	0.5
152.01149	7.7
153.01956	3.0
154.01723	0.4
161.02460	0.5
161.04541	0.6
163.03996	4.4
167.10777	7.5
168.00623	1.9
173.04492	1.0
191.05659	1.5
197.06076	3.2
215.07208	0.8
225.14958	0.5
258.05399	2.4
259.02481	0.6
284.03439	0.5
371.24472	0.8
460.12048	0.7
461.12012	1.0
509.23953	5.3
523.34210	1.3
525.14349	3.6
533.30774	0.9
569.26453	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	569.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47681	0.3
53.06158	0.3
57.03453	4.2
59.01389	16.2
59.71537	0.3
60.99320	0.5
61.98842	2.7
67.01905	0.5
71.01382	4.7
73.02955	0.6
74.10217	0.4
75.00884	0.7
78.91893	2.7
78.95915	0.8
83.01405	0.5
83.05011	0.5
84.52220	0.4
85.02978	0.9
87.00877	0.4
88.98808	4.0
89.02467	1.4
92.10113	1.3
93.03458	3.9
95.01366	0.6
96.96014	1.6
101.02440	1.8
101.49712	0.4
108.02196	0.7
109.02962	1.8
113.02460	0.9
119.04996	0.7
121.02962	100.0
122.03262	0.4
123.00929	0.5
123.04544	0.5
123.08151	0.6
124.01676	0.6
125.02452	9.9
125.06081	0.5
134.03754	0.8
135.04533	37.8
137.02449	2.7
141.35309	0.4
145.02907	0.9
147.04558	0.9
150.03226	0.9
151.00377	0.9
151.04042	0.9
152.01180	3.0
153.01865	0.5
160.01642	1.9
161.02435	0.5
163.04036	5.6
167.10765	1.5
173.04610	6.1
174.03169	0.4
175.04004	2.6
175.07617	0.6
178.03128	0.4
178.99847	1.6
189.05556	0.6
191.05681	0.8
193.05080	1.5
211.07826	0.4
217.05087	1.8
223.06197	0.9
227.03598	0.4
243.16028	2.6
259.06241	0.6
283.08682	0.4
285.04074	3.0
295.08237	2.2
447.03680	0.4
509.23978	14.3
541.13855	0.7
569.13000	3.7
569.26477	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80424	0.9
59.01387	100.0
61.98822	13.5
61.99068	0.8
64.75706	1.0
66.84125	1.0
71.01392	8.5
73.02969	1.1
74.08915	1.0
80.76291	1.0
82.95380	1.6
84.95139	1.4
85.02979	2.7
88.98788	2.2
89.02459	8.5
93.03470	10.4
96.96076	1.2
101.02467	2.3
113.02460	4.0
121.02967	35.0
137.02461	16.0
145.02950	1.9
173.04543	10.2
173.05887	1.3
174.56483	1.1
179.05582	1.8
191.05557	1.5
215.07182	1.4
311.08057	1.3
458.92084	1.2
504.81647	1.3
509.23862	1.3
569.25452	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.4
57.03471	5.9
58.00630	1.6
59.01387	62.3
69.03455	2.8
71.01380	26.4
72.99335	1.8
73.02936	8.2
75.00536	1.1
75.00854	7.5
77.79592	0.9
81.03532	0.8
83.01432	1.8
85.02966	15.8
85.03398	1.1
87.00911	6.1
87.04523	3.8
89.02449	17.4
93.03490	6.3
96.96011	1.5
97.02441	1.2
97.02988	6.6
99.00887	1.2
101.02454	22.6
101.03089	1.3
109.06626	1.0
111.08198	1.3
112.52203	1.0
113.02482	7.8
114.39872	1.0
115.04050	1.2
119.03548	5.7
121.02946	11.0
123.01006	1.0
125.06158	1.2
127.07668	2.1
129.01985	4.3
131.59114	1.0
137.01570	1.1
137.02425	7.0
137.09767	4.5
139.11307	34.9
139.12299	1.5
141.02003	1.1
143.03557	1.4
151.11333	1.6
155.10817	15.7
161.04611	1.6
163.06166	6.8
163.11398	2.2
165.01959	12.1
165.09177	1.1
169.12395	4.4
176.82365	0.9
177.04105	7.6
179.10873	4.9
180.04294	9.5
181.07198	16.2
181.08644	1.3
181.12407	8.1
183.10291	28.9
185.11913	2.0
191.05714	5.6
195.06679	18.0
197.11919	5.6
199.09837	4.2
225.11369	24.4
243.08929	1.4
243.12372	8.9
253.18237	1.2
285.13611	1.9
325.11511	8.2
343.12677	6.1
389.22049	2.0
391.16028	1.2
509.22531	10.9
569.24878	100.0
570.25702	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83130	0.2
55.01883	0.2
57.03463	1.4
58.00624	0.2
59.01391	5.1
71.01396	5.6
72.99341	0.9
73.02962	2.4
75.00887	1.4
83.01424	0.4
85.02969	4.8
87.00901	1.3
89.02461	2.7
93.03487	0.8
96.96010	0.4
96.97028	0.2
97.02966	0.3
99.00889	2.2
101.02451	2.3
103.04047	0.2
109.02941	0.2
111.00915	0.3
113.02439	0.8
116.92865	0.2
119.03503	0.9
119.05070	0.2
121.02965	100.0
121.52567	0.2
122.03289	0.4
129.01953	3.9
135.04541	0.3
137.02484	0.2
151.03918	0.2
159.03011	0.8
173.04585	0.2
177.02531	0.2
177.04063	5.4
179.05630	0.9
191.05666	1.8
196.63188	0.2
207.66916	0.2
268.39093	0.2
269.06720	9.2
299.07788	13.9
345.08972	0.4
395.91980	0.2
424.06601	0.2
509.22696	1.7
555.56464	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14310	0.4
57.03449	0.7
58.00592	0.5
59.01385	11.1
63.14751	0.5
65.85358	0.4
71.01386	7.7
73.02972	0.5
75.00891	2.8
81.32668	0.5
81.38496	0.5
83.01398	0.6
85.02958	2.9
87.00890	3.2
88.98824	2.7
89.02467	3.2
92.10220	0.6
101.02450	3.0
108.02175	1.1
109.02990	0.6
111.51465	0.6
113.02461	3.3
119.03497	1.1
119.33461	0.5
121.02955	100.0
126.34412	0.5
135.04532	54.6
136.04799	0.7
137.02425	0.9
147.02928	0.5
147.04555	1.1
149.02448	10.8
152.01222	0.9
158.20950	0.6
161.04544	0.7
163.04033	8.0
169.36617	0.5
175.03972	0.9
177.01945	68.7
177.03976	2.2
183.13902	1.2
191.03581	1.3
191.05551	0.7
192.04315	22.1
193.05045	2.2
195.02971	0.9
207.06636	6.5
210.05379	1.2
215.05066	0.6
223.06107	2.7
225.07730	2.7
247.65135	0.6
249.07765	0.6
283.08432	0.8
333.70703	0.6
369.11969	5.1
391.26962	0.7
473.72168	0.5
491.15836	2.8
509.25937	0.9
559.65387	0.6
569.24109	2.7
569.32098	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	569.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03727	0.2
55.01886	0.5
57.03467	4.1
57.03722	0.3
59.01395	6.9
59.42557	0.2
60.53625	0.2
61.29056	0.2
68.99837	0.4
69.03468	0.4
71.01389	10.3
72.99331	1.6
73.02952	0.4
75.00878	12.7
75.41099	0.2
76.28030	0.2
78.22850	0.2
83.01397	0.5
84.02187	0.4
85.02961	9.9
87.00879	7.9
89.02451	2.6
92.10773	1.0
92.66082	0.2
97.02965	0.5
99.00883	6.0
101.02454	2.2
103.00382	0.4
106.89146	0.2
113.02496	0.4
115.04021	0.4
117.01995	0.3
121.02960	100.0
122.03321	0.5
129.01952	9.7
131.03467	0.3
135.04556	2.2
141.02013	0.3
147.02986	1.7
156.96942	0.2
159.03008	1.4
168.31819	0.2
177.04070	56.0
184.42805	0.3
191.05667	0.2
214.91827	0.3
234.44901	0.2
269.06702	4.8
281.00397	0.3
299.07773	65.2
300.08105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17994	0.5
57.03455	14.8
59.01387	10.2
61.98838	4.7
63.02401	1.0
65.00317	1.5
71.01383	3.9
73.02946	0.9
75.68633	0.5
83.01379	6.2
85.02942	1.5
85.97563	0.6
88.98814	0.6
93.03455	8.4
95.01360	4.8
96.96002	1.1
101.02469	1.1
107.01382	3.6
108.02179	3.1
109.02969	6.2
111.00885	2.6
111.04520	1.0
113.02465	1.0
119.05013	1.4
121.02959	30.1
123.00858	4.4
123.04538	5.5
124.01652	8.6
125.02452	100.0
132.02180	1.2
134.03743	3.0
135.04549	7.5
137.02470	7.0
139.00333	0.9
139.04027	2.5
145.02951	3.1
146.03766	0.8
147.04535	1.3
149.02477	4.6
150.03253	5.5
151.00400	12.4
151.04027	6.5
152.01147	17.0
153.01955	6.3
155.10782	3.6
159.04408	0.9
160.01665	12.9
161.02348	1.0
161.06125	1.3
163.00426	1.0
163.03984	3.4
165.05496	0.9
169.01640	0.7
171.04445	0.7
173.04602	14.0
173.05988	1.7
174.03169	1.3
175.04018	19.0
176.01118	2.8
177.01956	5.4
178.99893	7.2
187.04027	1.3
188.04753	3.4
189.05594	8.0
191.03508	1.4
191.05566	1.1
191.07152	2.1
193.05037	5.9
197.06059	1.2
199.04063	1.2
199.07825	0.8
199.09735	1.4
211.07700	3.6
213.05571	1.3
215.07227	0.7
216.04213	0.7
217.05092	11.6
223.07631	2.9
231.06706	1.9
234.91260	0.7
235.06151	1.5
239.07118	0.7
241.05078	3.8
241.08690	1.1
257.08221	4.7
258.05032	0.7
259.06128	9.1
267.06555	1.1
273.07550	1.0
274.04730	0.9
275.05734	5.3
284.03378	1.1
285.04120	24.4
285.07669	2.8
295.08142	1.1
303.05161	3.2
303.08746	5.3
337.09406	3.3
371.24408	1.4
429.11664	1.3
509.23557	1.2
525.14081	1.4
531.15155	1.6
533.29865	3.9
541.13696	11.7
551.11633	4.9
569.13074	44.9
570.13574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	10.4
59.01394	3.7
59.80073	0.4
60.99326	0.4
61.98840	4.5
63.02405	0.8
63.42093	0.4
65.00327	4.2
68.51952	0.4
68.99811	0.5
69.03450	0.5
71.01386	3.1
75.00872	0.5
78.95921	0.5
81.03445	0.5
83.01389	7.1
85.02972	1.7
87.00886	0.5
88.98814	0.5
89.02495	0.6
91.01930	0.4
93.03461	3.2
95.01411	1.5
96.93436	0.4
96.96011	17.6
97.02940	1.7
107.01404	9.0
108.02199	0.9
109.02972	7.9
111.00917	0.7
113.02544	0.6
117.03512	0.6
119.05048	0.9
121.02962	12.4
123.00885	1.0
123.04550	5.6
124.01643	3.5
125.02453	100.0
131.01372	1.9
134.03683	0.6
135.04575	1.9
137.02438	6.6
139.04008	5.9
145.02977	1.8
147.04561	1.0
149.02473	12.4
149.99622	2.1
150.03226	1.8
151.00395	31.2
151.04024	4.1
152.01164	4.7
153.01962	29.8
155.10770	0.4
161.02455	1.8
161.06049	0.5
163.00298	0.5
163.03998	2.0
165.02039	0.8
167.03510	2.4
168.00645	2.3
169.01357	0.9
171.04588	1.0
173.02458	0.5
173.04527	2.7
173.05948	0.8
174.03223	2.8
175.00420	3.6
175.04036	11.6
177.01958	14.1
178.98401	0.8
178.99889	14.1
179.03508	0.9
181.01463	12.2
188.04790	3.2
189.05554	4.6
191.03532	2.1
191.05606	0.5
193.01436	0.9
193.05154	0.6
195.03003	2.3
197.06149	0.6
199.04042	6.1
201.02010	2.0
202.99765	0.5
211.07814	0.5
213.05600	0.8
214.06459	0.5
215.06940	0.4
216.04338	0.5
217.05128	6.1
229.04987	0.5
231.06671	0.8
241.05132	5.8
243.03043	0.8
255.15977	0.5
257.04474	0.5
259.06046	3.6
275.05676	16.4
284.03531	0.5
285.04111	36.5
295.08615	0.5
299.05630	5.4
303.05173	42.0
317.06586	0.5
327.05322	0.8
371.24475	13.5
389.52829	0.4
417.08463	0.8
445.07877	4.8
447.09412	4.8
509.33249	0.7
533.31189	0.5
541.14014	1.6
551.12128	2.4
569.13525	0.9
569.22888	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	568.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34044	0.6
59.01385	16.4
60.93704	0.7
66.88309	0.9
73.58373	0.7
74.10255	0.8
74.45402	0.7
78.95914	16.2
87.85489	0.7
139.27632	0.8
152.99582	1.8
168.04341	1.4
224.06879	8.0
242.07710	1.1
269.24902	100.0
288.75055	1.1
338.94931	0.9
494.32654	51.2
548.83777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06524	0.9
57.03463	13.0
57.89700	1.1
59.01393	16.0
61.98848	14.3
65.00346	1.9
69.03497	1.2
70.62518	1.0
71.01385	2.5
78.91882	1.1
78.95911	1.6
81.03457	2.9
82.87505	1.2
83.01413	6.9
83.05057	1.1
85.02962	1.9
87.00871	1.4
88.98823	2.0
89.02454	1.6
93.03468	9.3
95.01397	1.2
96.96007	4.7
97.02884	1.4
107.01417	4.8
108.02186	7.7
109.02973	7.7
110.33581	1.2
113.02429	1.7
117.03521	1.5
119.03640	1.1
119.05024	1.8
121.02966	30.5
122.03755	1.4
123.04504	9.4
124.01671	2.9
125.02447	100.0
128.89200	1.2
135.04504	4.6
135.82620	1.2
137.02472	11.1
137.06088	2.4
139.03981	1.6
142.29979	1.1
145.02972	8.1
149.02434	6.9
150.03207	2.2
151.00360	13.1
151.04059	5.8
152.01180	12.9
153.01991	13.6
159.04541	1.4
161.02399	1.4
163.03990	1.7
173.04626	8.9
173.05858	1.6
174.03241	4.9
175.04007	23.9
177.01953	21.5
178.99847	7.7
188.04535	1.2
189.05602	5.7
191.05589	1.3
196.15526	1.2
196.79509	1.2
197.06129	1.6
199.04018	13.2
201.01974	1.4
213.05582	2.4
217.05171	11.4
241.05106	8.9
259.06116	2.9
259.09689	2.4
275.05576	5.1
285.04092	52.9
285.07199	2.4
303.05209	32.1
533.23596	2.6
569.13055	25.4
569.26837	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	4.4
57.03471	4.1
57.24798	0.8
59.01391	58.3
61.98839	22.7
71.01388	32.5
71.01780	1.3
73.02949	12.3
75.00865	1.2
78.95941	1.1
82.95429	3.5
83.01402	7.5
85.02956	16.4
85.03374	0.8
89.02463	4.3
89.07658	0.9
93.03484	1.8
95.01395	1.9
96.96008	9.1
98.08838	0.9
99.00900	4.5
101.02444	27.4
108.02180	1.2
109.02934	1.2
110.64412	1.0
111.00926	4.9
113.02444	10.3
121.02954	7.2
125.02452	1.6
135.04539	1.3
137.02435	1.7
137.09819	1.2
155.10809	1.2
157.56975	1.0
160.01689	3.8
161.04582	1.8
173.04538	1.6
175.04025	1.6
191.05727	1.2
209.11868	1.3
255.03014	4.6
271.02490	4.6
299.25958	1.6
300.02820	7.0
301.03638	2.2
345.30136	4.8
356.05457	0.9
506.34082	1.4
507.35382	100.0
508.35959	1.2
567.11725	2.1
567.26581	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	4.1
57.03464	4.1
58.00607	0.7
59.01388	51.9
61.98838	5.7
63.05043	0.5
71.01385	22.5
72.01704	0.4
72.99313	1.1
73.02948	9.7
75.00881	2.1
75.95907	0.4
77.91458	0.4
78.95901	0.8
82.95419	0.8
83.01390	7.9
85.02956	14.4
86.00107	0.7
86.46442	0.4
87.00909	1.9
89.02475	3.0
92.65878	0.4
93.03455	2.6
95.01385	2.9
96.96013	12.7
97.02945	0.5
99.00886	3.9
101.02442	23.8
108.02187	0.7
109.02960	0.8
111.00886	3.7
113.02464	9.1
116.92848	1.0
119.03471	0.6
119.05005	1.0
119.79959	0.4
121.02959	17.4
125.02402	0.5
129.01930	0.8
135.04541	1.9
137.02461	3.7
145.02928	0.6
151.00418	0.5
152.01201	0.8
155.10806	1.1
159.03026	2.1
160.01613	2.3
161.02391	0.5
161.04518	2.5
163.04033	0.5
171.13918	0.7
175.04033	1.1
187.07759	0.6
191.05684	0.7
197.09770	2.0
201.05556	0.9
202.06470	0.6
229.08681	2.0
230.09521	0.6
239.05695	1.7
255.02968	0.7
283.09546	0.7
284.03265	1.0
285.04053	2.4
299.25851	2.0
345.30084	4.6
346.65091	0.5
355.03210	0.5
409.15045	0.8
410.15887	2.1
505.53024	0.5
507.35464	100.0
508.35876	1.8
567.11505	0.7
567.28522	4.0
585.27527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19557	0.7
52.55679	0.7
57.98848	0.8
61.98847	2.2
64.34723	1.1
72.04543	0.8
73.57240	0.9
74.04566	0.9
76.52451	0.9
78.33963	0.7
78.95933	1.1
79.04495	0.9
85.88489	0.8
88.02190	0.9
96.05750	0.8
150.29768	1.1
182.96837	0.9
329.98206	1.0
330.68750	1.0
349.48187	1.1
369.69598	1.2
471.34888	100.0
472.35168	6.9
473.35654	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	567.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04114	0.3
53.05337	0.2
53.59028	0.2
54.82728	0.4
55.01889	3.2
57.03467	3.6
58.00606	0.5
59.01391	51.8
59.76168	0.3
61.98842	7.1
68.09101	0.3
69.03468	0.5
71.01388	21.6
72.99313	0.6
73.02952	10.4
75.00873	0.6
82.95418	2.4
83.01395	6.5
85.02960	15.9
85.03468	0.5
85.96167	0.3
86.00140	0.6
87.00881	1.6
89.02461	2.0
93.03455	1.1
95.01400	2.8
96.13569	0.3
96.95996	0.4
97.02953	0.5
99.00902	4.2
101.02448	22.4
107.01463	0.3
111.00905	4.6
112.01721	0.3
113.02465	9.7
119.05054	0.6
121.02970	7.3
122.03243	0.3
122.41332	0.3
123.08237	0.3
125.02450	0.6
129.01938	1.3
135.04553	1.6
137.02425	0.7
139.77965	0.3
143.03534	0.3
151.00410	0.5
152.01166	0.3
155.10809	2.1
157.12381	0.7
159.03001	1.8
161.04567	2.9
163.04025	0.3
191.05705	0.4
197.09735	0.6
199.09747	1.3
201.05519	0.4
202.06279	0.5
213.09204	0.7
229.08693	0.7
271.02444	0.5
297.24249	0.4
298.93921	0.3
299.26065	2.4
300.02768	0.4
301.03690	0.5
345.30228	4.8
410.15625	0.3
432.56195	0.3
504.16510	0.5
507.35489	100.0
508.35864	2.0
567.11346	0.6
567.28882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3313
Annotation	Antibiotic VM 44857
Peak:m/z	Relative Intensity
59.01382	1.1
61.98840	8.3
122.59096	0.9
177.37805	0.9
272.55481	0.9
423.28989	1.4
437.30692	5.4
455.31757	100.0
471.35263	1.8
473.36298	4.1
485.32870	52.7
515.40479	0.8
537.32080	4.0
551.34503	0.8
567.33118	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3311
Annotation	Antibiotic VM 44857
Peak:m/z	Relative Intensity
50.12629	1.0
59.01390	1.3
61.98844	18.4
84.43481	1.2
110.03502	1.0
264.24652	1.3
409.30835	2.6
437.30588	2.6
449.81018	1.2
455.31763	90.8
485.32816	100.0
567.33173	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3313
Annotation	Antibiotic VM 44857
Peak:m/z	Relative Intensity
54.82234	1.5
57.31257	1.5
59.01390	3.1
60.94493	1.5
61.98833	17.1
62.92227	1.4
63.40306	1.4
66.26381	1.5
92.10172	3.6
110.86483	1.8
141.24266	1.9
207.40253	1.9
455.31738	53.8
485.32840	100.0
567.33173	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	2.4
62.78847	0.9
70.82632	1.1
89.49078	1.0
91.55782	0.9
257.38690	1.1
471.34882	100.0
472.35284	6.5
473.35602	6.5
594.37091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16092	5.6
59.01392	100.0
61.98845	49.7
62.10723	5.8
66.81774	6.8
70.44362	5.7
71.01385	43.3
73.02961	6.8
82.95432	13.3
85.02995	9.4
89.02451	47.4
92.10819	13.8
96.79320	6.3
99.00884	11.7
101.02465	13.8
113.02467	11.9
121.02969	31.7
124.25724	6.6
125.02497	14.9
137.02444	10.6
149.04556	29.3
156.63176	6.8
191.05664	10.7
198.52122	6.8
229.08720	10.9
271.82339	7.0
296.78903	7.1
305.24438	7.6
410.15768	9.0
460.64044	6.8
507.35159	10.0
531.28223	15.1
567.25513	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47965	2.5
59.01387	11.4
61.98840	94.8
76.42009	2.8
103.28165	3.5
127.35892	2.9
136.97020	3.0
184.54651	3.1
239.23540	2.9
353.44537	3.0
409.27426	3.9
439.32288	100.0
441.33948	4.6
485.32916	97.1
567.32501	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96434	0.3
59.01384	0.9
60.29137	0.3
71.01386	2.6
73.02927	0.5
81.03497	0.5
85.02955	2.2
94.08479	0.4
95.01429	0.5
95.93617	0.4
101.02417	0.8
105.02379	0.3
108.02185	95.3
109.02967	28.7
121.02960	0.8
123.00839	0.7
123.04524	1.8
135.04544	0.7
151.04007	0.9
152.01175	80.2
153.01967	26.4
163.04027	1.6
165.01936	2.4
295.12375	0.4
315.07288	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	567.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23960	1.0
57.03454	12.4
59.01387	37.8
59.70218	1.0
68.99841	2.4
69.03442	8.8
71.01387	30.4
72.99314	2.8
73.02959	2.3
75.00874	65.4
83.01405	2.7
84.02186	1.9
85.02956	31.6
87.00881	19.4
89.02444	12.7
91.01930	1.8
93.03481	5.9
93.51362	1.2
97.02940	10.8
99.00883	11.9
101.02456	8.5
108.02197	2.7
109.02956	1.7
111.00877	5.6
111.04533	1.7
111.08188	2.4
113.02502	6.0
115.04055	1.6
115.92096	1.4
116.92894	2.4
119.03470	1.5
121.02972	7.3
127.60075	1.4
129.01944	37.9
135.04549	2.8
137.02478	8.5
141.01978	9.8
152.01192	3.1
153.02000	1.6
159.02991	17.1
161.04674	1.4
165.12860	43.1
173.04614	1.3
177.04065	69.6
179.05637	1.7
183.13916	99.6
191.05661	7.5
195.05124	36.2
195.06755	2.2
197.15730	1.2
199.18733	1.3
207.13950	1.9
209.06616	1.2
209.11888	6.0
221.65685	1.2
225.15152	1.7
227.12927	49.6
231.13698	1.4
241.14479	1.5
251.12839	2.2
279.24548	1.5
306.65222	1.4
387.16687	41.2
389.26007	1.6
405.17679	46.7
419.19147	2.4
465.79718	1.4
507.23856	1.3
567.23065	100.0
567.29877	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	567.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.5
57.03453	1.7
58.00616	1.4
59.01388	100.0
63.48597	1.0
69.03455	26.9
71.01385	66.9
72.26401	1.2
72.99309	2.6
73.02930	12.2
75.00881	2.1
79.01892	2.0
81.03474	6.3
83.01396	6.2
85.02960	19.1
86.91831	1.3
87.00891	5.3
89.01926	2.8
89.02448	56.7
93.03474	1.8
95.01387	8.3
97.02940	22.4
99.00861	3.2
101.02442	41.1
103.42272	1.3
107.01398	17.4
108.02184	56.6
109.02958	23.1
111.00871	1.7
113.02454	24.9
114.23079	1.2
119.03510	19.0
121.02959	19.6
123.00906	2.2
125.02455	44.2
131.03503	8.0
135.00912	27.7
137.02444	7.1
143.03476	8.5
151.00388	2.3
152.01166	79.0
153.01962	31.7
160.01614	1.8
161.04565	6.6
177.01982	1.2
179.05627	7.4
197.06058	3.1
197.12233	1.2
221.06683	13.4
226.94667	1.4
243.06662	15.1
245.06494	2.2
263.07748	2.7
280.99921	1.7
323.09808	17.4
428.89810	1.6
446.85837	1.4
459.11523	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05664	0.2
55.33148	0.2
57.03442	0.2
58.51767	0.2
59.01387	4.4
61.98837	1.0
65.00340	1.1
69.03474	0.2
70.55082	0.3
71.01395	1.0
73.02994	0.3
80.02687	0.4
85.02977	0.5
86.03020	0.2
88.75357	0.2
89.02494	0.3
91.01896	19.5
93.03455	2.6
93.38915	0.2
95.01404	1.1
96.27113	0.3
96.95993	0.3
101.02468	0.4
107.01421	1.2
107.05062	1.2
108.02182	27.5
109.02967	7.4
109.80951	0.3
115.92123	0.3
121.02961	6.0
123.00884	7.9
124.01680	0.5
129.04129	0.3
135.00894	18.4
135.04547	1.1
137.02452	8.1
151.00404	2.2
152.01169	21.8
153.01994	1.8
163.00339	0.5
163.03999	0.6
169.06653	0.4
173.04584	0.5
174.03238	0.3
175.04030	0.3
178.02846	0.3
178.99896	0.4
194.78935	0.3
197.06151	1.6
198.03181	0.4
199.04059	0.3
199.07683	0.4
203.40121	0.3
213.05652	1.4
215.07092	0.3
226.02785	1.9
227.03532	1.3
241.05234	0.4
243.03114	5.7
243.06647	100.0
244.06943	1.2
254.02217	1.7
255.02969	3.6
271.02512	21.2
272.03137	0.6
299.01898	0.3
300.02805	13.8
301.03564	3.8
341.57281	0.3
408.01672	0.3
459.11252	0.3
495.42206	0.3
520.47113	0.3
531.27985	0.4
567.10333	10.4
567.18213	3.5
567.25391	0.8
568.11090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83047	0.3
56.90789	0.3
57.01740	0.3
58.99435	0.3
59.01385	1.4
61.98844	5.2
65.00330	6.5
78.36771	0.3
79.73816	0.3
83.02247	0.4
89.00343	1.7
90.57462	0.3
91.01871	1.3
92.10123	0.8
97.02952	5.8
106.78679	0.3
109.02956	2.9
114.39664	0.3
119.32240	0.3
121.02963	8.0
126.58396	0.4
134.03767	2.2
135.04535	100.0
136.04765	0.4
149.99608	2.1
161.02454	1.6
165.01944	43.7
178.52541	0.4
183.02977	0.5
196.87314	0.3
299.05801	0.7
301.07220	45.5
434.32062	0.4
445.11954	0.7
507.26025	0.4
567.15259	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	567.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06988	0.2
50.13355	0.2
50.22000	0.2
57.03446	0.3
59.01379	3.3
65.00331	1.1
65.03967	5.9
67.01900	2.6
68.35055	0.3
71.01387	2.1
73.02947	0.3
74.15881	0.2
75.00874	1.3
76.81521	0.2
79.99737	0.2
82.67986	0.2
85.02965	0.9
87.00889	0.2
89.02452	1.6
90.15101	0.2
91.01893	32.8
92.02229	0.3
96.41006	0.2
101.02425	0.4
107.05011	0.5
108.02178	0.2
109.02961	41.3
111.00885	0.3
113.02486	0.4
116.92843	0.5
118.92766	0.4
119.03486	0.9
121.02962	0.5
125.02428	0.5
129.01967	0.4
131.03481	0.2
133.02911	0.3
135.00894	86.6
136.01256	0.3
153.01956	100.0
154.02315	0.3
166.37799	0.2
175.04071	0.3
177.01944	0.5
177.04071	1.0
179.05614	0.8
183.13905	1.0
195.05008	0.3
201.11357	0.4
227.12949	0.3
243.06606	1.9
258.00107	0.4
297.06265	0.3
323.09818	0.3
386.43179	0.3
389.25516	0.3
394.43484	0.3
459.11432	4.9
567.22943	0.5
567.30920	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95183	0.5
55.01889	4.0
57.03454	4.8
59.01388	61.1
61.98838	9.8
64.34783	0.7
69.03460	0.7
71.01386	26.2
72.99329	1.3
73.02946	12.5
75.00870	1.0
78.48008	0.6
78.95914	1.4
82.95404	0.9
83.01379	7.7
83.05043	0.7
83.11591	0.5
85.02959	17.9
85.03458	0.7
86.00154	0.6
87.00876	1.4
89.02450	5.8
93.03474	10.5
93.47995	0.6
95.01382	2.7
96.96023	0.9
97.02954	1.2
99.00879	5.9
101.02444	23.6
101.86543	0.7
107.01375	1.0
108.02198	2.6
109.02949	2.5
111.00911	4.5
111.04554	0.6
111.43051	0.5
113.02461	10.9
116.92888	0.7
119.05049	1.1
121.02964	23.2
125.02427	0.7
129.01878	0.7
132.02177	0.8
134.03735	0.9
135.00919	0.8
135.04498	2.6
137.02448	13.7
143.10783	0.8
145.02966	2.1
151.00360	1.0
152.01180	2.6
153.01971	0.8
155.10793	3.7
159.03000	2.4
160.01622	3.3
161.02451	0.7
161.04544	3.0
165.02026	0.6
173.04526	0.9
175.03967	2.7
187.07515	0.7
191.05666	1.0
197.09698	3.3
197.15381	1.0
199.04088	0.7
201.05656	1.3
202.06387	1.0
211.03999	1.4
223.07448	0.7
227.03560	11.5
229.05057	3.6
229.08742	1.4
230.09436	0.8
239.05690	2.3
243.06668	0.7
255.03012	16.0
256.03705	2.2
257.04572	2.4
274.54190	0.6
283.02332	0.6
284.03278	13.0
285.04089	28.5
299.25714	0.9
301.10626	1.2
345.30243	4.8
369.22748	0.9
403.21313	0.8
410.15875	1.3
424.75253	0.8
429.08093	1.4
447.09518	1.0
462.80826	0.6
506.33707	0.6
507.35464	100.0
548.13049	0.8
567.11420	9.4
567.28717	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	567.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13067	1.6
52.19618	1.4
53.09872	1.8
55.04419	1.6
57.03457	2.3
59.01388	43.8
61.98832	15.3
65.24978	1.6
71.01391	12.0
73.02961	4.0
75.00871	4.2
85.02949	3.8
88.98824	2.5
89.02454	4.4
93.03445	15.6
96.96020	3.5
99.00872	2.0
101.02449	4.4
106.40366	1.8
108.02189	30.0
109.02966	30.4
113.02458	2.5
115.92065	3.3
116.92873	10.9
119.05014	3.3
121.02968	100.0
134.03712	2.3
135.04538	15.7
137.02489	19.0
137.03458	2.6
145.02980	4.5
150.10866	2.2
151.00410	4.4
152.01172	22.1
153.01965	20.6
160.01674	3.0
163.04013	3.2
168.00583	1.9
173.04582	3.8
175.04054	3.3
191.05676	4.0
226.02711	4.5
227.03491	8.2
243.02977	24.5
254.02255	2.9
255.03064	25.7
266.76901	2.1
270.99591	4.2
271.02515	92.9
285.04111	3.6
300.02823	70.0
301.03552	13.5
531.11108	2.1
534.57587	2.6
542.17267	2.4
567.11481	52.8
567.24664	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	566.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89577	0.5
54.83427	0.6
58.55638	0.5
59.01394	3.0
61.98834	100.0
98.72459	0.6
107.30387	0.6
121.02924	0.7
150.24611	0.6
213.34441	0.6
215.74626	0.7
229.84732	0.6
283.70245	0.7
503.33636	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	567.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	6.0
60.99353	0.5
61.98851	0.8
65.00355	1.0
68.01164	0.4
69.03484	0.4
71.01401	0.4
83.01445	0.6
89.95118	0.4
91.01901	8.1
92.10110	0.6
93.03458	3.9
107.01437	2.3
108.02187	11.8
109.02975	4.0
121.02962	5.9
123.00914	1.1
125.02448	0.5
135.00885	8.4
135.04587	0.6
137.02448	5.9
138.02867	0.5
144.23830	0.5
145.02957	0.5
151.00406	5.8
152.01167	11.2
153.01974	0.9
163.00360	3.2
169.01463	0.6
171.44202	0.4
173.04474	0.7
174.03217	1.6
175.03981	0.4
178.99841	3.6
182.57933	0.4
191.05716	0.5
191.68016	0.5
197.06081	0.6
198.03320	0.5
199.04080	2.4
201.01907	0.8
203.03598	0.8
211.04027	0.5
215.03636	0.8
226.02765	10.1
227.03539	6.3
243.03001	25.2
243.06657	30.8
254.02257	7.4
255.03012	17.6
271.02515	100.0
272.03214	4.0
299.02014	1.1
300.02789	66.0
301.03549	17.1
328.95261	0.5
453.83835	0.5
535.28082	0.5
567.11450	61.0
568.12262	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56621	0.3
59.85171	0.2
61.98837	100.0
69.96450	0.3
71.77934	0.3
103.03632	0.4
126.20293	0.3
129.58896	0.3
233.43381	0.3
505.34811	1.4
506.34460	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	566.334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67925	0.3
57.81787	0.3
59.01394	0.4
61.98834	100.0
68.24963	0.4
69.55018	0.3
73.00645	0.3
78.86496	0.3
78.91891	0.4
79.80911	0.3
91.86530	0.3
111.16203	0.4
125.60323	0.4
132.37077	0.4
182.07002	0.3
192.53131	0.4
261.90240	0.4
380.95285	0.4
423.25470	0.5
488.35052	1.5
506.35471	0.7
519.76160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.98838	100.0
92.66397	0.4
105.90993	0.4
117.62709	0.4
264.87439	0.4
392.13647	0.4
485.32730	0.6
504.34637	0.5
505.34109	2.8
506.34863	4.9
541.68005	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65025	0.6
59.01393	4.8
59.34731	0.6
61.98838	100.0
67.17536	0.7
80.06442	0.7
90.06521	0.7
98.00689	0.7
142.82452	0.7
181.33884	0.8
191.85474	0.8
202.24091	0.7
220.19577	0.8
326.98557	0.8
394.25012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27913	0.3
59.01382	4.3
61.98838	100.0
76.25555	0.3
86.59007	0.4
97.43997	0.4
121.02941	1.4
149.14682	0.3
181.78450	0.3
237.58102	0.4
281.45505	0.4
453.30338	0.4
506.34995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	1.0
60.09421	0.8
60.89798	0.6
67.66207	0.8
78.95903	1.2
92.10106	1.8
114.88078	0.8
128.52962	0.8
152.99612	0.9
158.52518	0.8
171.00768	1.0
194.29836	0.9
288.90280	0.9
389.95972	1.0
471.34888	100.0
472.35242	1.7
473.35745	1.0
491.55173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22419	0.5
58.91404	0.5
59.01385	4.8
61.49305	0.5
61.86617	0.6
61.98835	100.0
64.81310	0.5
77.23436	0.5
79.98608	0.5
87.66790	0.5
94.37858	0.6
121.02997	0.7
121.29422	0.7
133.75056	0.6
194.27177	0.6
222.62694	0.6
367.08673	0.7
461.47211	0.8
505.34619	0.9
559.26471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12681	0.9
57.39795	0.8
57.48391	0.7
58.33966	0.8
61.98838	4.0
78.95914	0.9
92.10793	2.2
112.28619	1.0
115.18951	0.8
117.10773	0.8
131.88121	1.0
142.30635	0.9
175.17632	0.9
247.84706	1.0
267.45114	1.0
279.23303	3.5
280.23697	1.9
369.49075	1.1
407.63412	1.1
471.34888	100.0
472.35382	1.1
473.35989	1.1
500.88052	1.2
505.31570	4.0
508.98709	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	51.4
61.98837	100.0
73.01005	7.5
94.70157	8.4
98.38219	9.3
171.38452	8.3
189.55061	10.4
209.12016	9.5
216.26105	8.2
227.30031	8.6
538.10938	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	565.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43163	1.1
55.01891	5.5
57.03462	5.0
57.21448	1.0
57.87043	1.2
59.01389	53.7
61.98842	8.3
71.01382	31.7
72.99313	1.4
73.02928	10.1
75.00878	2.2
83.01404	8.9
83.05064	1.2
84.12177	1.1
85.02959	15.2
87.00897	2.6
89.02487	2.6
90.38796	1.1
92.10026	2.9
93.03481	10.3
95.01395	1.8
99.00866	1.9
101.02458	25.0
108.02160	1.3
109.02985	1.8
111.00893	5.4
113.02454	8.5
121.02951	18.3
135.04556	2.0
137.02435	2.8
143.05099	1.3
157.12360	2.4
161.04562	1.3
163.04045	2.1
173.04581	10.6
184.07722	1.5
191.05615	2.1
227.03520	7.7
255.02998	6.7
283.13440	2.3
284.03299	2.6
298.01157	1.8
343.28534	2.2
505.33945	100.0
506.34158	2.3
565.23230	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	565.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82896	5.4
57.03451	5.4
59.01389	100.0
61.98852	25.5
65.35780	4.3
71.01402	26.2
71.05076	5.0
73.02974	5.4
75.00891	5.1
85.02992	10.1
87.00914	6.7
93.03486	21.0
97.06638	7.0
101.02451	13.0
113.02446	6.7
121.02969	24.7
124.01696	7.0
125.02442	6.8
135.03009	8.5
137.02458	10.2
137.81786	5.2
148.05257	10.1
157.97183	5.4
163.04036	6.8
168.00691	7.1
173.04486	9.7
191.05632	24.3
193.06226	6.4
197.09677	8.8
263.45718	5.5
301.10867	6.4
505.33771	41.6
547.21375	7.5
565.22528	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	565.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41156	3.5
58.45450	3.7
59.01387	50.3
59.19438	4.2
61.98839	100.0
90.74743	3.8
91.80662	4.1
102.25526	4.5
104.63151	5.2
106.67883	4.0
121.02982	23.6
128.31828	3.7
149.71681	3.8
151.20932	3.9
170.04095	4.0
173.04671	4.6
179.56204	3.8
187.06534	3.8
223.13490	8.2
225.96898	4.2
505.34790	15.1
565.28558	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	565.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98829	3.0
55.99308	3.1
58.74785	3.7
59.01398	38.8
61.98835	100.0
71.11005	3.8
73.38490	4.0
78.95891	4.5
81.77172	3.3
92.10126	6.6
121.02985	6.3
130.74532	3.2
225.99675	4.2
251.21962	3.4
269.74707	4.2
293.21231	5.5
334.11438	4.3
505.34235	7.6
565.28485	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	565.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	1.2
57.03458	9.8
59.01396	31.6
63.09781	1.0
63.33842	1.1
68.64936	1.3
69.03467	1.7
71.01389	26.8
72.99312	1.8
73.02960	5.4
74.50313	1.2
75.00881	42.7
79.28226	1.1
83.01398	1.8
84.02173	1.6
85.02957	20.0
87.00878	14.9
87.04543	1.7
89.02463	16.4
93.03457	1.4
96.95991	1.8
99.00900	7.7
101.02461	7.6
108.02206	3.1
109.02935	1.3
111.00890	2.1
113.02440	4.7
118.22401	1.1
119.03534	2.2
119.05025	9.8
120.99991	1.3
121.02959	13.9
129.01941	15.0
131.03476	2.1
132.54297	1.2
135.03024	2.2
135.11821	5.3
137.02422	1.4
141.01881	2.4
143.07285	1.2
145.02960	1.4
149.04491	2.1
152.01155	4.8
157.80777	1.3
159.03041	5.2
159.08087	1.4
159.11862	1.6
161.09743	7.1
166.80771	1.3
174.01730	1.5
177.04057	44.1
177.05519	2.2
179.10789	20.7
181.07234	9.0
191.05656	5.7
195.05135	8.1
223.09810	2.2
262.11942	1.2
304.36926	1.5
371.09137	1.5
383.13651	2.7
401.14633	1.7
447.12885	1.4
457.91888	1.5
529.18964	5.8
547.20062	1.6
565.21515	100.0
566.21478	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42692	1.3
50.56612	1.2
52.83338	1.5
55.01888	2.2
56.70081	1.2
57.03464	8.8
59.01389	45.7
59.63239	1.3
61.98829	13.5
69.03474	1.8
71.01382	34.2
71.05045	2.0
72.99317	3.2
73.02959	11.5
73.68854	1.3
75.00873	48.5
79.21304	1.4
83.01400	2.2
85.02955	27.5
87.00884	9.4
89.02444	15.9
89.69503	1.5
91.01894	2.2
92.10813	2.9
93.03460	7.5
96.96014	6.1
97.02979	2.7
99.00909	8.9
99.92600	3.1
101.02452	17.0
107.05045	3.3
108.02225	2.8
109.02993	3.0
111.00877	3.0
113.02467	9.1
113.07278	1.4
116.92865	63.1
117.92918	2.0
119.03513	2.5
119.05014	7.4
121.02964	13.5
123.04530	2.8
125.02417	2.8
129.01964	17.3
131.03526	2.0
135.03040	6.2
135.04512	6.5
135.11810	2.7
137.02446	13.5
138.03235	13.4
139.04076	2.1
141.01976	2.2
150.03290	3.4
151.00401	18.7
151.04012	3.5
152.01175	14.5
153.01959	8.5
153.05588	3.0
159.02994	3.3
159.08168	2.2
161.02460	3.4
161.04585	2.7
161.09726	11.7
163.04057	3.7
166.02721	55.0
167.03532	17.2
170.02171	2.4
173.04582	3.3
175.03975	2.7
177.01920	1.8
177.02353	1.9
177.04073	39.5
177.05534	3.2
178.99834	1.7
179.03517	7.8
179.10802	25.5
181.05086	52.3
181.07129	9.6
191.03748	1.5
191.05661	12.7
193.04970	2.9
195.05099	10.3
205.08748	2.7
207.06670	3.5
223.09802	3.0
225.11403	3.5
227.03299	2.2
255.03116	1.7
284.03305	2.8
383.13458	2.4
385.15109	2.9
387.16687	6.1
388.11581	23.3
403.14001	94.3
417.21463	3.9
419.70444	1.8
492.35977	1.8
505.26938	5.7
527.90979	1.6
533.13812	1.9
565.21393	100.0
565.30060	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	565.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83501	0.2
59.01388	4.6
59.95047	0.3
61.98835	2.0
63.91678	0.3
71.01389	1.2
75.00880	0.6
83.01408	0.4
85.02962	0.7
93.03462	2.0
101.02437	0.4
108.02206	0.6
109.02978	1.4
111.00915	0.4
113.02499	0.4
114.39597	0.3
121.02962	100.0
135.04503	0.4
136.01674	1.1
136.98784	0.3
137.02464	3.6
139.00371	1.1
139.03983	0.3
151.00366	0.7
151.04002	1.9
152.01152	1.9
153.01978	0.5
153.05716	0.3
166.02734	5.4
167.03525	0.6
179.07321	0.3
180.04333	0.5
181.05083	4.4
190.06404	0.6
191.07135	0.6
195.02141	0.3
300.78729	0.3
343.15475	2.5
373.12924	1.5
388.15131	0.5
403.17697	10.0
459.97668	0.3
505.17575	1.1
505.33841	0.4
581.90546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48162	0.2
55.20820	0.2
57.03463	0.3
59.01387	10.0
61.98837	5.0
62.74026	0.2
69.56842	0.2
71.01378	2.3
72.99306	0.4
73.02953	0.4
75.00883	0.3
78.95882	0.8
80.11023	0.2
85.02954	1.1
87.00890	0.4
89.02440	0.5
93.03460	2.9
96.96008	8.4
96.96967	0.5
99.00878	0.3
101.02448	0.6
108.02192	0.5
109.02942	0.3
111.04614	0.3
113.02442	0.5
113.81131	0.3
117.14123	0.3
121.02955	100.0
122.03272	0.2
128.93701	0.3
135.02988	0.3
135.04515	1.1
137.02473	2.0
171.61642	0.3
173.04553	1.0
178.51703	0.2
191.05620	1.6
197.24825	0.2
207.53227	0.3
217.01370	0.3
225.15135	0.3
255.10239	0.5
334.73889	0.3
341.22952	0.4
342.23972	0.4
357.26627	0.3
383.13525	0.4
505.27438	0.3
505.34464	1.7
565.23608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0485
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
56.42674	0.3
62.96420	0.4
66.58792	0.3
67.62052	0.3
78.95905	100.0
82.84081	0.2
89.80964	0.3
96.95987	1.7
96.96963	39.5
111.02010	9.7
120.96957	2.5
136.94005	0.3
138.97072	0.4
138.98021	3.7
150.98064	3.8
154.01883	0.3
158.92549	16.7
164.03535	0.4
174.98050	1.1
176.93649	1.5
176.98347	0.3
178.95012	1.1
190.96448	0.3
192.99084	1.2
197.79675	0.3
211.00134	5.2
241.01233	7.2
272.95807	4.8
280.02402	2.1
280.94937	0.4
296.93033	0.3
305.01834	0.7
320.97864	1.7
323.02914	36.3
384.98413	2.8
402.99847	0.4
423.98212	0.3
504.95532	0.6
565.04883	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	565.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80711	0.2
55.99051	0.2
59.01384	0.7
64.34975	0.3
65.95007	0.3
66.23596	0.3
71.01383	19.5
75.00883	0.4
86.37218	0.3
93.03458	0.5
96.96010	0.6
115.00372	8.2
119.05023	9.4
121.02948	100.0
145.60658	0.3
163.03996	5.9
173.04532	0.3
179.10808	0.3
191.05615	0.3
211.07640	0.3
237.04083	10.2
237.09097	0.4
283.09863	0.6
327.08765	6.0
371.49252	0.3
429.73703	0.3
530.54572	0.4
565.21082	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.2
59.01385	10.1
71.01385	2.6
71.72645	0.2
73.02962	0.8
75.00874	1.9
85.02953	0.3
86.33728	0.2
87.00896	1.0
89.02460	1.1
93.03455	2.1
96.96021	0.4
99.00916	0.3
101.02460	0.4
113.02452	0.2
113.99586	2.9
115.00377	1.1
119.05029	100.0
121.02956	50.5
125.02456	0.2
135.03018	2.8
135.04552	0.3
137.02429	0.3
150.03204	0.2
156.00687	1.7
163.03986	0.3
163.65569	0.2
174.01707	7.0
175.03944	0.2
177.04066	0.9
181.05107	2.8
183.42900	0.2
191.05626	1.1
195.04999	0.2
284.03372	0.3
311.10391	0.3
352.40134	0.2
429.21472	0.3
447.13101	17.6
469.20773	1.7
505.26230	0.2
511.21545	0.7
529.23016	0.4
533.14374	0.5
565.15210	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	563.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21765	0.5
55.15801	0.6
59.01388	100.0
61.98839	5.0
69.03475	0.7
71.01407	0.6
73.04911	0.6
75.00874	1.1
77.28973	0.5
80.36478	0.6
90.77693	0.6
93.03452	0.8
94.30969	0.6
99.73802	0.6
109.47663	0.6
121.02958	3.4
121.81615	0.7
135.03008	3.6
135.04570	0.8
154.52008	0.8
168.45406	0.7
173.04544	1.1
189.07854	0.6
197.11845	3.9
209.11813	1.2
226.88600	0.6
242.53218	0.6
485.32758	0.8
503.33917	2.8
525.27228	3.6
527.27203	1.1
563.35522	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77333	0.1
58.51851	0.1
59.01394	1.6
61.98845	100.0
62.57339	0.1
70.74574	0.1
83.38454	0.1
84.54177	0.1
88.98835	0.2
121.02975	0.5
136.49132	0.1
187.96452	0.1
273.31100	0.1
397.92200	0.1
402.70670	0.1
501.33093	0.1
502.32608	1.0
503.33057	2.3
504.33646	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	564.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56345	0.2
52.59100	0.2
56.54206	0.2
59.01392	6.2
60.01720	0.5
61.98839	100.0
62.72779	0.2
76.92552	0.3
91.11890	0.3
141.52640	0.3
209.47398	0.2
454.30289	1.3
455.30865	0.4
456.31259	0.6
502.32727	1.3
503.33856	11.1
504.34180	49.3
505.34341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	42.2
60.01725	5.5
61.01817	6.8
61.98843	100.0
64.35177	0.5
101.87828	0.5
111.14782	0.5
125.87435	0.5
363.74176	0.6
454.62534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91798	0.4
59.01389	37.2
60.01722	4.7
61.01812	4.9
61.98838	100.0
69.75796	0.3
73.90494	0.4
77.19627	0.3
81.21234	0.4
81.61379	0.4
114.27165	0.4
131.78363	0.4
144.90585	0.4
209.51997	0.4
230.26465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82722	0.5
59.01391	100.0
61.98838	5.4
67.76954	0.4
74.25807	0.4
75.00887	0.6
121.02955	46.7
135.02989	0.8
213.01624	0.5
392.43338	0.5
430.95166	0.4
503.33722	5.2
521.66254	0.5
563.34778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27753	0.3
53.89946	0.4
59.01390	15.9
60.94526	0.4
61.07417	0.4
61.98835	2.8
71.49756	0.4
72.64712	0.4
75.00874	0.6
83.09005	0.4
91.28201	0.4
92.67141	0.4
93.03469	0.6
108.11420	0.5
114.80191	0.5
121.02966	0.8
135.03003	0.8
147.60767	0.5
163.11330	0.4
209.11765	0.7
225.11345	0.8
283.09109	0.5
327.08783	0.6
333.43732	0.5
453.30057	1.0
455.32001	4.8
471.08862	0.6
503.33896	100.0
504.34317	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05184	0.5
59.01389	100.0
61.98840	3.3
65.60674	0.6
66.00027	0.5
67.15688	0.5
67.32422	0.5
69.58829	0.6
75.00883	0.6
79.16546	0.5
93.03471	1.1
97.06615	0.7
99.00877	0.9
116.92924	0.7
121.02993	5.9
135.03003	1.2
144.78795	0.7
153.12865	2.9
163.03989	0.7
173.04575	1.1
191.05644	1.1
197.11845	1.0
209.11797	1.0
225.11339	1.0
243.12346	0.8
341.26913	1.2
503.33652	3.3
527.29083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84473	0.3
58.69869	0.6
58.97572	0.4
59.01387	100.0
61.98843	4.2
68.29825	0.4
71.55331	0.4
75.00878	1.7
87.70219	0.4
92.10901	0.8
98.78995	0.4
116.42964	0.5
121.02958	56.3
122.03265	0.5
184.30591	0.5
311.65863	0.4
318.27231	0.6
503.33884	4.7
558.33569	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3081
Annotation	Dendronobiloside A
Peak:m/z	Relative Intensity
52.78180	0.6
55.01890	4.8
57.03463	3.0
58.00600	1.2
58.99041	0.5
59.01388	83.5
59.92687	0.5
61.98843	3.4
66.80987	0.6
71.01385	43.0
72.99311	3.7
73.02964	8.2
74.89987	0.6
75.00879	1.0
83.01384	5.8
85.02960	17.9
87.00871	1.7
89.02446	37.7
93.03463	1.1
95.01406	4.2
99.00881	3.1
101.02444	27.5
111.00877	3.3
113.02467	14.9
119.03513	13.5
119.04984	1.0
121.03020	1.0
135.03017	3.5
143.03557	1.2
143.22615	0.7
160.01680	1.4
161.04617	2.8
171.16754	0.9
173.04584	0.8
179.05612	3.8
191.05635	4.0
281.01169	0.6
315.08252	0.8
327.08939	0.8
334.31711	0.7
401.16470	1.0
401.25491	3.3
563.30865	100.0
578.88916	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72571	0.3
59.01388	1.4
71.01379	1.2
73.02934	3.9
75.00868	4.9
76.57443	0.3
87.00877	0.7
89.02461	1.8
93.03459	1.8
96.95998	2.2
101.02457	0.6
103.04000	0.4
119.03542	0.4
119.05022	8.2
121.02957	100.0
122.03315	0.5
133.02968	0.6
135.02998	13.6
143.05052	1.2
147.02979	0.4
152.61623	0.3
163.04031	3.4
169.51097	0.3
191.05682	0.5
237.09235	0.7
239.10970	0.4
265.08838	0.7
269.06677	15.8
283.09769	2.2
285.04205	0.4
317.64438	0.3
327.08792	9.5
345.31070	0.3
419.93878	0.3
445.11447	1.3
541.18274	0.4
563.14417	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.4
59.01398	16.8
60.99311	0.9
61.98859	4.4
65.00348	1.5
65.03967	0.6
67.01909	8.2
69.03475	1.3
71.01395	9.9
72.99323	3.0
73.02943	0.9
75.00890	3.1
75.27078	0.6
81.03488	1.4
83.05061	1.7
85.02969	6.7
87.00877	7.3
89.02460	1.7
91.01891	6.7
93.03460	54.1
96.96001	0.9
99.00902	1.0
99.04517	0.9
101.02474	3.5
108.02174	1.1
109.02967	40.8
111.00918	1.3
111.04526	7.3
113.02464	3.1
119.05060	4.6
121.02955	14.1
125.02467	1.0
127.04017	0.8
131.05034	4.0
133.02969	1.4
134.03758	1.1
135.00941	1.1
135.03058	5.1
135.04533	4.3
137.02438	7.7
143.03902	1.1
143.05040	30.5
143.66316	0.8
145.02988	3.0
146.03777	6.8
147.04568	7.8
153.01917	6.0
155.03551	7.4
159.04495	2.5
160.01675	1.7
163.04002	1.7
165.12851	7.7
173.04570	100.0
174.03236	0.9
175.04051	1.5
183.13916	23.7
186.06883	1.4
187.07668	3.7
191.05629	39.8
196.05247	1.0
209.06189	1.6
211.07689	1.6
214.06578	1.0
215.07170	5.7
227.12938	11.2
235.07661	14.9
251.07115	14.5
253.08723	59.9
254.08943	0.9
256.07425	5.3
261.05490	1.3
265.08670	1.0
276.69794	0.8
277.05063	1.1
277.58945	0.9
279.06592	5.8
280.61957	0.9
297.07721	15.3
323.05655	13.6
327.08810	3.9
341.06522	0.9
341.23328	1.3
401.18243	51.5
503.33792	12.4
521.36658	0.9
545.20374	9.2
563.13025	1.8
563.21637	8.6
563.29614	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68045	2.1
55.01886	6.0
57.03455	4.3
57.04987	2.6
59.01390	85.6
61.98840	54.0
65.39197	2.5
67.01900	3.4
69.03445	2.7
71.01379	53.5
72.99329	14.7
73.02963	16.0
75.00886	15.8
83.01411	6.7
85.02963	44.9
87.00900	13.8
89.02483	18.0
93.03471	57.6
95.01431	3.7
96.95968	3.2
99.00907	3.9
101.02455	48.0
109.02987	11.8
111.00920	2.6
111.04583	3.8
113.02474	19.1
119.03478	3.0
119.05025	20.1
121.02964	84.3
125.02438	5.2
129.03494	4.4
131.04990	3.4
133.03001	4.2
134.03731	3.3
135.03041	24.4
135.04514	12.0
137.02467	3.6
143.05113	2.8
145.02959	13.9
146.03755	17.9
147.04552	37.0
147.73932	2.9
159.04585	3.3
160.01711	17.3
161.04591	13.3
163.04012	5.4
173.04529	28.1
175.04034	18.4
179.52776	2.7
183.04587	2.8
187.07683	3.6
191.05656	87.7
223.07663	5.3
229.01425	3.8
233.06110	5.2
235.07521	3.5
237.05701	12.3
249.05469	4.0
250.06403	5.4
251.07153	100.0
253.08696	15.7
256.07440	11.6
261.05579	6.1
278.05838	5.2
279.06708	36.2
323.05673	90.1
327.08749	19.2
341.19916	10.7
371.15005	6.7
389.15930	3.6
443.16193	3.3
503.25113	57.1
503.32352	10.1
526.67108	3.0
545.20337	6.0
563.21161	25.4
563.30872	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	563.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92229	0.4
59.01383	6.2
62.21015	0.5
64.60232	0.5
68.28892	0.5
69.73265	0.5
71.01376	3.9
72.99314	3.6
73.02943	0.5
74.23627	0.5
75.00875	38.5
81.17691	0.6
82.18355	0.5
85.02997	0.7
87.00888	0.6
89.02442	7.4
92.10770	0.8
93.03445	7.9
96.99330	0.9
106.04250	0.5
117.01941	3.6
117.03490	0.8
119.05027	52.4
121.02938	0.9
131.05013	1.0
132.05780	0.7
133.02988	0.7
135.03006	100.0
143.05048	5.3
145.02966	2.1
145.06596	2.1
149.00687	0.6
163.04015	32.3
167.18265	0.5
171.04480	0.6
191.05641	2.0
197.43312	0.5
211.07649	5.4
223.07697	2.8
224.08371	0.7
235.07700	1.3
237.09238	12.5
238.10004	0.8
239.10815	4.6
243.82913	0.6
253.08698	1.1
265.08746	5.8
276.06616	0.5
281.06537	1.1
283.09799	14.6
309.07736	4.1
327.08789	61.1
427.10324	0.9
445.11475	14.8
527.21741	0.6
563.14117	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	563.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09603	1.1
55.01886	1.3
55.55108	1.1
59.01388	27.4
60.99315	2.1
68.36691	1.3
71.01376	12.1
72.99311	13.1
73.02962	1.6
75.00875	40.7
85.02976	7.8
87.00884	3.4
89.02451	35.0
92.66048	1.7
93.03460	12.5
99.00919	1.7
101.02431	2.5
115.00414	3.0
117.01899	14.6
118.88826	1.5
119.05038	95.6
124.76493	1.4
129.01930	6.7
130.14192	1.2
132.05843	2.3
133.01459	9.1
135.03011	100.0
143.05032	6.4
145.01463	6.0
145.03001	2.3
145.06612	1.9
163.04028	57.6
173.04549	1.5
191.05679	36.8
211.07729	6.1
221.03043	7.7
221.06688	2.2
223.07538	1.7
237.09238	13.6
239.10796	9.6
239.12990	1.6
265.08853	3.3
281.06543	1.5
283.09811	14.1
309.07748	5.4
327.08823	68.7
338.94147	1.5
353.09045	2.2
371.09552	2.0
380.25006	1.5
427.10260	1.7
445.11487	15.6
503.16043	2.7
563.14130	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40787	0.6
59.01387	5.0
59.54875	0.6
63.10532	0.6
63.54935	0.5
63.55304	0.5
71.01391	2.9
71.33213	0.6
72.99315	2.8
73.32716	0.6
75.00875	36.5
87.00898	0.7
89.02444	7.3
93.03472	8.1
110.00324	0.6
117.01937	3.0
117.03429	0.7
119.05034	69.6
121.02949	1.4
122.79128	0.8
131.05031	1.2
133.02988	1.1
135.03017	100.0
135.76033	0.7
136.68973	0.8
143.05037	5.5
145.03001	1.1
145.06615	1.4
150.20782	0.7
163.04031	43.0
183.61026	0.7
187.61589	0.8
211.07660	4.3
221.09778	1.2
223.07658	1.2
224.56371	0.7
235.07732	1.5
237.09192	8.6
239.10727	3.0
265.08667	6.6
283.09811	7.9
284.45688	0.7
309.07776	3.5
327.08832	44.9
373.13120	0.8
445.11539	10.5
563.14142	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83001	0.5
59.01389	4.4
60.25810	0.4
61.67808	0.5
68.65607	0.5
71.01389	1.9
72.99328	3.5
75.00871	36.9
89.02441	6.2
93.03457	7.9
96.99353	0.7
110.68828	0.5
117.01951	4.0
119.05026	30.5
131.05038	1.1
133.02934	1.3
135.03009	100.0
143.05063	5.4
144.94202	0.6
145.02905	1.1
145.06557	0.8
147.83778	0.6
162.61661	0.5
163.04024	19.1
189.99359	0.5
211.07677	5.6
221.09746	0.7
235.07600	1.2
237.09218	3.2
239.10732	0.8
265.08728	8.5
283.09735	3.6
309.07675	2.9
327.08826	30.1
445.11472	5.9
454.57928	0.6
541.17871	0.6
563.14233	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	563.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75876	0.3
54.70678	0.4
58.28268	0.4
59.01394	5.2
71.01377	3.1
72.99332	3.3
75.00875	40.2
77.18678	0.4
87.00896	0.6
89.02446	8.3
93.03457	8.2
96.92172	0.4
96.99314	0.7
99.00891	0.6
116.92883	3.8
117.01923	3.0
117.03455	0.8
119.05025	29.2
121.02956	0.6
131.05003	1.7
133.02953	1.1
135.03008	100.0
143.05032	7.2
145.02922	0.5
145.06622	1.7
163.04022	19.2
211.07692	5.5
221.09856	0.6
223.07698	1.0
235.07698	0.6
237.09192	5.0
239.10791	2.6
265.08698	9.0
272.90588	0.5
281.08481	0.6
283.09744	6.8
309.07858	3.1
327.08807	38.0
383.08469	0.5
445.11481	8.0
453.56668	0.5
482.24411	0.6
563.14160	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	562.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	17.8
61.98852	15.9
67.61215	2.0
72.99325	5.2
75.00887	2.2
78.95914	3.5
81.33836	2.1
109.85239	2.0
114.40615	2.3
116.14495	2.2
122.19450	2.5
199.13458	32.4
263.20178	24.0
279.19830	2.2
309.20013	2.2
347.26019	4.0
355.14014	2.0
365.26981	100.0
460.29712	2.3
462.75052	2.2
488.27936	9.1
488.34531	4.7
489.35144	2.5
562.31818	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	562.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29205	0.6
55.26908	0.7
59.01397	5.4
61.98841	8.5
78.95909	5.7
92.10097	1.8
93.82319	0.8
100.74779	0.8
131.91083	0.9
132.02356	0.8
135.03041	1.0
152.99593	1.9
168.04407	1.4
242.07997	3.5
242.89888	0.7
258.12100	0.9
277.21765	100.0
286.78592	0.8
341.15491	0.8
406.15613	1.0
502.29446	41.8
563.25043	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01908	1.4
57.03455	2.2
57.82473	1.0
59.01391	24.4
69.03454	1.2
71.01383	14.8
72.99313	4.6
73.02970	5.2
75.00871	42.0
79.99326	1.0
82.70575	1.1
83.01377	1.3
85.02958	9.0
87.00879	2.6
89.02444	15.3
93.03461	14.9
96.96053	4.8
99.00903	5.3
101.02456	5.8
108.02193	4.8
109.02972	6.8
109.61401	1.1
111.00947	2.2
113.02448	3.0
115.00439	1.3
115.08787	1.6
117.01929	1.5
117.03490	2.5
119.03615	1.2
119.05032	25.9
121.02962	17.3
121.22467	1.1
129.01967	1.3
133.02950	13.0
134.03757	6.1
135.03014	92.7
135.04539	100.0
137.02443	2.3
141.06703	1.9
143.05034	2.4
145.02994	5.1
152.01224	2.1
153.02020	1.5
160.01675	2.8
161.02466	45.6
163.04028	17.4
173.04546	6.4
177.01971	1.2
177.04053	4.7
179.03516	61.9
191.05630	16.8
211.07726	2.4
227.03535	1.3
237.09259	6.0
265.08667	2.1
279.65338	1.2
283.09564	1.8
297.06250	1.8
327.08871	26.9
427.10352	24.0
445.11420	25.3
496.41870	1.3
503.24948	16.6
563.13855	27.8
563.21832	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	561.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16936	0.6
56.65118	0.6
59.01394	100.0
61.98857	0.8
70.05544	0.7
75.35265	0.8
79.72514	0.7
99.36874	0.7
126.42397	0.8
172.69856	0.7
175.11746	0.8
180.84593	1.0
204.76422	0.9
424.20013	0.8
512.64532	0.9
514.11804	0.8
523.52112	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12780	0.4
59.01387	100.0
63.44711	0.4
70.72767	0.4
74.00146	0.4
76.58092	0.4
79.96907	0.4
111.78407	0.4
167.33658	0.4
207.85422	0.5
574.03967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66632	0.3
51.94503	0.3
58.30043	0.3
59.01391	1.9
61.98843	100.0
78.60571	0.4
87.72884	0.4
109.46273	0.3
139.73401	0.3
187.89355	0.4
199.62373	0.4
229.74411	0.3
243.98967	0.4
264.20306	0.4
429.21375	0.3
487.34290	0.5
488.34836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
61.98827	28.1
64.19562	10.4
64.28831	8.0
72.99319	9.6
75.00864	10.8
84.76943	9.5
85.19016	8.7
100.40550	10.2
116.92843	11.9
223.79971	11.2
237.24586	10.6
238.37633	11.0
501.31995	71.9
543.36719	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	561.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82729	0.7
59.01391	1.1
60.46640	0.5
63.47681	0.4
66.23632	0.5
72.69880	0.5
79.18599	0.5
92.27416	0.5
100.36612	0.5
131.41452	0.6
165.12849	8.5
183.13911	100.0
209.11873	3.5
215.68607	0.6
227.12901	3.4
277.21753	68.9
278.21997	0.7
283.15610	1.3
301.16550	5.6
347.80994	0.6
561.37964	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	561.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38355	0.3
59.01394	100.0
61.88736	0.4
65.36928	0.3
65.44599	0.4
67.21626	0.3
67.40694	0.4
70.88185	0.4
72.32111	0.3
77.38237	0.4
90.65001	0.4
111.01836	0.4
148.93741	0.5
163.80200	0.5
164.33595	0.5
178.16696	0.4
265.27448	0.5
296.37158	0.5
390.85825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49861	0.3
59.01388	100.0
60.44049	0.4
61.98844	1.9
71.01395	0.5
75.00890	0.5
83.05042	0.6
121.02957	6.3
126.69902	0.4
135.02942	0.8
156.34601	0.6
159.41478	0.4
161.02354	0.4
173.04549	3.2
177.41312	0.5
279.47128	0.5
285.63242	0.5
389.28403	1.1
451.28998	0.5
457.33716	0.6
501.32388	29.0
502.32507	0.7
503.33496	0.7
561.34467	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	561.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	41.2
61.98838	13.4
87.00846	2.9
106.74750	3.2
109.75564	3.3
121.02972	4.9
135.03035	3.8
162.94521	3.1
191.14682	3.0
210.25432	2.8
218.39500	3.3
471.31042	35.5
483.31143	3.9
501.32291	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	561.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78127	0.5
59.01387	100.0
61.98833	0.9
75.00871	1.2
109.97614	0.7
112.58312	0.7
125.09724	0.9
189.28651	0.7
209.11761	1.0
215.98477	0.7
217.16025	0.9
319.10645	1.2
411.63538	0.7
469.33038	0.8
471.31323	5.6
501.32349	7.0
515.30170	1.0
529.27240	1.5
561.29028	3.8
561.34711	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	561.2926
Annotation	Atractyloside D
Peak:m/z	Relative Intensity
51.39690	0.9
55.01886	9.2
56.31815	0.9
57.03461	6.0
58.00590	1.5
59.01387	77.8
61.98832	2.3
69.03474	1.7
71.01384	62.2
72.99314	2.6
73.02941	14.0
75.00866	4.4
79.35789	1.0
81.07119	1.0
83.01402	11.8
85.02950	32.7
87.00882	2.2
89.02439	23.8
93.03453	1.8
95.01376	5.4
96.96011	45.9
96.96600	2.1
97.02955	1.5
99.00887	7.3
99.04534	1.6
101.02442	35.1
101.04408	1.2
105.03890	1.1
108.02176	1.7
109.03017	1.3
111.00901	4.7
113.02465	24.5
117.03477	1.6
119.03503	9.0
119.05009	9.1
121.02961	33.0
129.01906	3.5
132.02133	1.5
133.02940	5.0
133.05078	9.0
133.06561	2.4
134.03732	1.9
135.03017	1.2
135.04536	12.0
137.02411	1.9
145.02919	5.6
148.83676	1.1
149.06129	1.6
157.11153	1.3
160.01637	2.3
161.02470	15.6
161.04526	7.9
163.04054	6.1
173.06081	2.2
175.04031	1.1
178.02724	1.6
179.03531	9.1
179.05574	2.6
183.13913	2.0
191.05679	5.3
193.05086	1.9
235.06123	1.9
399.23865	16.7
427.10663	9.7
452.86591	1.1
501.30811	4.6
561.29254	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	561.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39690	0.9
55.01886	9.2
56.31815	0.9
57.03461	6.0
58.00590	1.5
59.01387	77.8
61.98832	2.3
69.03474	1.7
71.01384	62.2
72.99314	2.6
73.02941	14.0
75.00866	4.4
79.35789	1.0
81.07119	1.0
83.01402	11.8
85.02950	32.7
87.00882	2.2
89.02439	23.8
93.03453	1.8
95.01376	5.4
96.96011	45.9
96.96600	2.1
97.02955	1.5
99.00887	7.3
99.04534	1.6
101.02442	35.1
101.04408	1.2
105.03890	1.1
108.02176	1.7
109.03017	1.3
111.00901	4.7
113.02465	24.5
117.03477	1.6
119.03503	9.0
119.05009	9.1
121.02961	33.0
129.01906	3.5
132.02133	1.5
133.02940	5.0
133.05078	9.0
133.06561	2.4
134.03732	1.9
135.03017	1.2
135.04536	12.0
137.02411	1.9
145.02919	5.6
148.83676	1.1
149.06129	1.6
157.11153	1.3
160.01637	2.3
161.02470	15.6
161.04526	7.9
163.04054	6.1
173.06081	2.2
175.04031	1.1
178.02724	1.6
179.03531	9.1
179.05574	2.6
183.13913	2.0
191.05679	5.3
193.05086	1.9
235.06123	1.9
399.23865	16.7
427.10663	9.7
452.86591	1.1
501.30811	4.6
561.29254	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	561.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25262	0.9
57.03458	4.2
59.01387	79.7
60.46484	0.9
61.98835	36.4
62.77636	1.1
63.98476	1.0
71.01384	45.8
72.99323	2.2
73.02951	18.5
75.00871	2.1
85.02967	6.4
87.00871	1.6
89.02446	100.0
93.03446	4.0
96.96007	6.8
99.00885	28.9
101.02442	28.1
113.02478	7.2
119.03506	1.9
119.05009	2.5
121.02947	4.6
125.02495	2.6
131.03519	10.7
133.01418	1.1
135.03040	1.6
137.02415	5.1
145.02948	1.2
149.04578	50.9
158.33716	1.1
161.04607	2.4
176.02077	1.1
177.04031	2.4
191.05611	21.3
195.05103	1.4
221.06636	6.8
223.13402	2.3
251.07613	2.4
293.08899	2.1
311.09625	1.6
445.17279	2.4
525.23236	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	561.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01908	0.8
57.03469	4.1
58.00624	1.7
59.01391	79.8
68.99590	3.1
69.03486	1.1
71.01385	44.8
71.01778	1.6
71.23486	0.7
72.99319	2.9
73.02944	17.9
73.03298	0.9
75.00871	7.7
75.47284	0.8
83.01392	1.4
84.49493	0.8
85.02959	9.9
87.00901	4.6
89.02445	100.0
92.10130	1.4
92.10722	1.7
93.03449	1.5
96.96008	6.7
97.02950	0.9
99.00880	32.3
99.04547	1.5
101.02444	27.1
111.00920	1.3
112.98594	3.7
113.02446	6.7
115.00374	3.0
119.03505	2.9
119.04935	0.9
121.02956	2.7
125.02444	3.3
129.01982	4.1
131.03508	13.8
135.03006	4.9
137.72054	0.8
143.03537	3.0
149.04570	43.4
153.01883	0.7
159.02988	1.1
161.04581	3.7
161.09737	0.8
173.04491	0.9
177.04054	12.9
179.10834	1.5
191.05624	19.0
195.05119	3.5
221.06706	8.0
223.13445	3.4
251.07718	4.7
267.12399	1.0
293.08936	3.3
311.09857	3.1
394.52576	0.9
427.16669	1.0
445.17191	16.8
561.18311	3.5
563.46576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97627	1.6
57.03473	19.3
58.37016	1.7
59.01395	95.2
61.98851	5.0
65.96052	2.0
71.01393	52.9
72.99318	3.1
73.02965	10.5
75.00877	34.3
76.70747	1.8
83.01402	2.2
83.05040	2.7
84.02148	2.0
85.02968	30.1
87.00879	22.0
88.98832	3.4
89.02454	30.4
91.01878	2.3
93.02340	1.9
93.03468	13.7
96.96022	16.2
97.02943	3.1
99.00877	10.1
99.04537	2.3
101.02462	13.2
108.02193	2.1
109.02975	4.9
111.00922	3.7
113.02490	4.0
115.00391	21.4
117.03485	2.1
119.05021	8.4
121.02931	8.4
129.01924	26.7
131.03540	2.4
133.01442	14.0
135.00903	4.1
135.03030	4.3
135.04533	4.4
137.02428	8.7
145.03046	2.9
149.04567	2.7
153.01959	3.3
159.02989	3.7
161.02455	2.2
163.04037	3.1
173.04543	7.7
177.04073	63.1
180.03717	1.8
191.05640	27.5
195.05121	10.3
196.53102	2.1
207.10159	3.7
213.71786	2.5
223.13449	14.8
237.06213	2.6
247.00677	2.0
261.73016	2.7
267.12439	8.7
276.41879	2.0
290.78650	2.5
427.16226	8.1
445.10971	3.3
445.17230	100.0
501.23566	4.5
523.28247	3.0
561.18378	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	561.184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	5.3
59.01389	41.4
61.98848	0.7
69.88349	0.8
71.01382	21.9
72.99318	3.7
73.02955	2.8
75.00875	17.8
78.95924	1.2
79.95763	1.5
83.01389	1.7
85.02955	10.4
87.00877	7.5
89.02455	11.3
92.10747	1.6
93.03464	10.2
96.96010	100.0
96.97009	2.9
99.00883	4.6
101.02456	7.0
107.05067	1.0
108.02181	1.1
111.00910	5.3
111.04494	1.0
113.02463	3.3
115.00388	7.8
117.03460	0.7
119.03496	1.3
119.05051	1.6
121.02962	4.9
129.01967	8.1
131.03508	5.4
133.01425	4.8
135.03014	4.4
135.04501	2.0
137.02451	9.2
143.05019	1.0
145.02977	1.6
149.04567	3.8
159.03027	0.9
161.02370	0.9
163.04037	3.4
173.04533	1.9
177.04063	28.9
179.03491	1.8
191.05641	12.9
195.05099	6.7
207.10304	1.0
223.13426	8.4
258.73282	0.9
267.12347	2.0
273.24289	0.8
327.08676	2.0
338.16699	0.9
445.11920	1.7
445.17227	40.3
446.11172	1.0
513.13727	0.8
525.23358	4.5
561.18347	8.8
561.26477	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40218	1.1
54.94706	1.0
55.01897	1.2
57.03465	12.9
59.01389	76.3
61.98851	4.8
69.03458	1.9
71.01387	48.0
72.97989	1.1
72.99320	5.5
73.02949	8.8
75.00876	33.6
78.95920	1.4
79.95744	1.3
82.33335	1.2
83.01408	5.0
85.02959	28.3
87.00880	14.1
88.98825	1.9
89.02448	18.1
90.14455	1.2
93.03461	8.8
96.96016	14.3
97.02974	2.2
99.00888	14.0
101.02460	10.1
109.03000	2.5
111.00919	2.4
113.02499	4.7
115.00375	14.2
119.03528	1.5
119.05052	6.1
121.02979	6.5
125.02485	1.5
129.01958	14.6
131.03534	3.0
133.01476	9.4
135.00864	2.6
135.03026	4.6
135.04523	2.5
137.02461	5.8
137.09740	1.5
141.01903	1.9
141.06683	1.2
145.02872	1.9
145.04930	1.3
145.06619	1.6
148.05345	1.6
149.04570	3.1
151.04102	2.0
153.01994	2.2
159.03017	8.6
161.04637	1.8
163.03990	2.3
173.04562	6.3
175.03931	1.5
177.02432	2.4
177.04057	60.5
179.10844	2.2
180.06804	1.5
191.05627	20.2
191.07178	3.9
195.05179	13.0
207.10228	5.1
223.13431	17.7
267.12393	9.1
327.08926	1.4
427.16019	9.3
445.17255	100.0
455.96161	1.5
501.23676	12.4
523.28070	1.6
530.36047	1.4
561.18237	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	561.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22748	0.9
54.74710	0.8
55.01887	7.8
55.11234	0.8
57.03466	9.2
58.00612	2.5
58.25327	0.8
59.01389	100.0
60.99298	1.0
61.98843	4.8
65.81516	0.9
69.03475	1.6
71.01390	47.1
72.99333	1.9
73.02969	5.6
75.00895	2.2
83.01392	7.1
85.02972	19.8
87.00896	4.5
88.98820	10.7
89.02457	39.2
93.03481	7.3
95.01408	1.9
96.96101	1.4
97.03029	1.2
99.00922	2.5
99.04508	1.5
101.02456	31.9
107.01427	1.0
108.02213	1.5
108.74531	1.1
109.02970	4.2
111.00896	2.3
113.02465	21.0
116.92866	6.8
117.03477	5.6
119.03515	17.3
119.05032	12.2
119.12106	1.1
121.02152	1.8
121.02969	33.3
122.39423	1.2
125.02505	1.3
131.03537	1.7
132.02184	7.9
133.06606	34.6
134.03754	14.5
135.03017	1.2
135.04507	8.4
137.02473	4.0
139.03923	1.0
143.03572	1.4
143.04973	1.1
145.02969	23.9
145.06683	1.2
147.04547	1.6
149.06145	3.8
152.01199	2.4
159.04517	1.5
160.01683	32.8
161.04576	4.7
161.06020	2.2
163.03990	1.9
163.07607	1.0
171.04491	1.0
173.04564	8.5
173.06129	4.0
175.04013	26.5
176.04822	2.3
177.05498	1.9
178.02756	1.5
179.03419	1.1
179.05690	7.2
185.06085	2.1
187.07654	2.4
189.19049	1.3
191.05634	5.5
191.07152	5.2
193.05107	15.0
197.06171	1.1
201.11392	2.4
203.07204	5.2
214.06381	1.7
215.07172	10.2
215.08954	1.0
219.06702	1.1
228.68906	1.1
233.08316	8.0
235.06145	12.7
247.06079	1.4
255.03030	1.9
259.06143	5.6
265.07251	5.7
277.07379	1.3
295.08304	9.5
334.36679	1.0
340.00854	1.2
369.19379	1.2
373.38733	1.3
399.23953	1.6
413.22159	1.5
439.12485	2.1
499.16409	5.8
501.24057	1.6
501.30716	12.8
543.15094	4.7
560.31488	1.2
561.22992	5.9
561.29742	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95860	0.3
55.01885	0.5
59.01387	10.5
61.02790	0.3
61.98840	2.6
64.95193	0.3
68.01436	0.4
69.03461	0.4
71.01385	5.6
72.99326	0.6
73.02943	0.5
81.03474	0.5
83.01402	0.4
85.02947	4.4
87.00901	0.5
87.04507	0.5
89.02453	5.3
92.10139	0.7
93.03465	0.5
95.01402	0.4
97.02948	0.7
101.02451	2.6
102.08723	0.3
109.02969	6.0
113.02434	3.0
116.05096	1.3
118.94765	0.3
119.03506	1.9
119.05042	0.4
121.02959	100.0
122.03277	0.4
125.02450	2.3
135.04539	0.7
143.03508	3.1
161.04596	2.3
161.05957	0.3
163.04025	15.5
164.79256	0.4
173.04565	0.4
175.07617	0.4
179.05611	0.6
200.07207	0.4
203.07072	0.4
213.05592	0.5
223.66742	0.3
231.06624	1.6
231.79671	0.3
247.06224	0.4
258.07739	0.5
262.42596	0.3
276.08575	0.5
305.08978	0.6
342.11221	0.3
438.14035	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36307	0.1
59.01387	4.0
61.98834	0.3
67.01895	0.4
67.05297	0.1
69.03457	0.2
77.41743	0.2
81.03459	0.3
83.01376	0.3
83.05032	0.2
93.03458	2.7
97.02978	0.2
99.36384	0.2
107.70606	0.1
109.02965	1.6
110.03739	0.3
111.04521	0.8
121.02960	100.0
122.03312	0.3
127.04048	0.8
129.80331	0.1
133.02940	0.2
135.04529	0.3
135.73325	0.2
137.02463	1.4
143.71037	0.1
152.68060	0.1
155.03520	1.9
161.02429	0.8
170.40742	0.1
193.98749	0.1
197.06137	0.8
231.53279	0.2
241.05106	1.9
259.05966	0.2
277.07202	11.5
399.10916	27.4
400.10864	0.3
501.32330	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	559.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77364	0.4
54.82850	0.6
55.01878	0.5
57.03465	0.5
58.00596	1.2
59.01385	58.6
68.71175	0.5
68.71629	0.5
70.58813	0.5
71.01382	25.6
72.99326	2.4
73.02991	0.7
78.95912	2.1
83.01403	0.7
85.02949	6.4
87.00902	2.4
89.02441	35.2
93.03442	0.7
95.01408	2.2
96.96013	8.6
96.96959	2.7
99.00867	0.8
101.02446	19.9
108.02219	4.0
109.02938	0.9
111.00898	1.1
113.02451	12.2
115.03937	0.6
119.03508	15.9
127.04013	0.7
131.03542	0.9
133.01389	0.7
133.02991	0.7
133.05089	0.5
135.02962	0.6
137.02426	0.8
144.34859	0.5
152.01181	3.4
153.01997	0.7
157.07655	0.6
161.04630	1.1
179.05531	0.9
191.05606	6.7
295.10370	100.0
309.11926	2.4
315.07297	2.3
376.39148	0.6
466.71323	0.6
575.45319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83125	2.4
55.67431	2.4
56.86082	2.1
57.37666	2.1
58.76709	2.2
59.01392	39.8
60.54364	2.3
61.98845	11.0
70.52803	2.9
71.01389	10.7
73.99371	2.5
82.30707	3.0
89.02491	2.7
90.29639	2.9
101.02464	3.4
192.87254	3.5
196.66841	3.1
210.75383	2.6
217.15901	2.7
253.09373	11.8
261.62634	3.0
263.20187	100.0
277.21750	5.5
296.57272	2.8
327.82587	2.9
337.26599	3.0
339.69531	3.1
437.59766	3.1
480.07059	3.0
487.34277	4.0
499.30807	6.1
587.86090	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	559.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68896	0.7
59.01388	100.0
61.98829	6.2
80.22118	0.7
85.95869	0.8
87.00909	1.4
102.97827	0.7
109.12023	0.8
116.92893	1.3
117.92897	1.0
133.18057	0.9
170.43582	0.9
199.35097	1.0
415.77652	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.6
57.03465	1.4
57.10917	0.7
59.01387	12.1
61.98846	11.0
69.03458	1.1
71.01385	16.2
71.32583	0.7
72.99286	1.0
73.02947	3.9
75.00864	1.0
83.01385	1.1
85.02959	10.6
87.00880	1.2
89.02471	1.8
93.03506	1.8
95.01439	0.9
97.02960	2.9
99.00887	5.0
101.02452	7.4
104.23494	0.8
106.42657	0.8
113.02469	6.8
119.05022	1.4
121.02962	100.0
122.02457	0.9
125.02424	1.3
126.90515	5.7
131.03697	1.1
135.02985	1.2
135.04543	26.3
137.02429	1.3
143.03516	1.4
159.02972	0.9
161.04622	8.8
163.04015	1.8
173.04532	1.1
191.05664	1.6
193.66701	0.8
263.74045	0.8
271.02008	1.5
293.90308	1.0
305.08966	1.2
310.84299	0.8
427.12500	3.8
434.84012	0.9
441.78738	0.9
499.29675	1.1
500.29309	1.7
532.44305	1.0
542.98462	0.9
558.55060	1.0
560.16266	3.3
560.97845	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76035	0.2
51.23256	0.2
52.78073	0.2
52.84597	0.2
53.38066	0.2
59.01385	0.9
61.98831	1.0
62.46981	0.2
63.80349	0.2
71.01402	0.9
75.00906	0.2
76.16090	0.2
81.03468	0.6
85.02982	0.3
93.03462	0.4
95.01377	0.3
108.02183	100.0
109.02966	16.4
109.80044	0.2
115.72860	0.2
121.02965	4.9
123.00846	0.4
123.04509	1.0
124.01656	0.4
125.02425	1.6
133.02968	1.7
135.04565	0.3
138.01978	0.5
149.99646	1.1
151.04018	1.5
152.01167	52.1
153.01952	14.3
161.04568	0.2
163.04027	1.1
165.01924	0.4
168.00726	1.1
194.16623	0.2
249.84645	0.2
261.44556	0.3
419.09930	56.6
420.10800	0.4
438.93893	0.3
533.98877	0.3
558.19678	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82858	0.1
55.01891	0.1
57.49797	0.1
59.01389	1.1
59.64846	0.1
59.89959	0.1
71.01397	1.3
73.02958	3.0
77.04012	0.2
78.94218	0.1
85.02986	0.5
87.00896	0.8
89.02460	0.3
93.03455	0.2
96.96008	1.0
99.00920	0.2
101.02437	1.2
103.04012	0.6
118.90938	0.1
119.03532	0.5
121.02966	100.0
122.03291	0.8
140.71802	0.1
147.02979	0.5
163.03987	0.1
179.27061	0.1
191.05597	0.5
269.06717	15.1
499.24152	0.7
538.21796	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	559.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.3
61.98841	0.6
63.54403	0.2
64.92204	0.2
73.02940	0.5
76.64532	0.2
83.75412	0.2
99.00848	0.3
99.92591	9.7
103.63935	0.2
103.65754	0.2
109.80039	0.2
116.92865	100.0
117.01942	1.5
117.92890	0.9
182.57213	0.2
223.54681	0.2
236.58815	0.3
430.52451	0.2
527.37378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14590	0.8
53.24699	0.8
55.73599	0.8
59.01389	7.9
61.98843	100.0
78.95921	5.0
82.96124	1.3
99.69811	1.0
112.38742	1.0
116.08945	0.9
116.92861	1.2
127.00537	1.0
160.55066	1.1
174.41510	1.0
178.38138	0.9
255.23341	10.2
256.23639	11.8
257.23993	9.6
258.24161	4.0
305.30518	1.3
481.31561	1.4
482.31665	4.2
483.31693	8.1
557.28424	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	557.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72375	1.0
54.82584	1.3
58.91177	1.2
70.64875	1.1
88.13280	1.2
105.16674	1.4
113.08199	1.1
167.02684	1.2
180.12547	1.4
210.95631	1.3
227.20189	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3123
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
57.03481	1.6
59.01390	32.9
59.01657	1.8
61.98843	3.4
71.01392	11.7
72.99277	1.6
73.02945	2.1
73.93576	1.4
75.00877	26.3
78.95956	3.0
85.02997	6.3
87.00887	1.8
88.98819	1.6
89.02454	12.5
92.10147	3.1
93.03507	8.9
101.02477	10.5
109.03000	1.9
111.04570	2.4
113.02454	3.0
117.01965	1.7
119.05076	6.5
120.96883	1.7
121.02963	11.8
134.03810	1.7
135.03003	52.1
135.04570	2.9
137.02475	3.1
145.02992	2.5
147.04581	2.6
152.99625	3.9
163.04022	2.0
169.75990	1.6
173.04555	19.7
179.05672	3.4
185.11891	2.8
187.07639	2.6
188.08070	2.1
191.05774	3.0
201.15218	2.1
203.03603	2.0
211.13605	4.7
215.07176	2.2
229.14511	1.7
253.08754	3.1
306.12219	3.6
307.12909	2.1
349.14426	1.9
351.15750	6.2
359.17267	3.8
359.27945	2.1
361.54037	1.7
401.40375	2.1
421.12256	6.2
439.14288	8.2
521.33459	42.4
557.31305	100.0
583.12842	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	557.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03486	2.5
59.01398	15.1
61.98845	16.2
68.67320	2.8
71.01394	2.9
74.67291	2.8
82.95407	3.3
83.05043	5.1
93.03441	4.4
105.22893	3.1
121.02982	14.0
125.38204	3.5
164.69360	2.9
173.04552	3.6
179.10779	12.1
197.11870	62.7
209.11839	49.4
213.66190	2.9
241.10907	4.1
302.14594	3.1
315.14594	4.0
471.30560	6.2
485.32935	5.2
519.33234	100.0
521.33691	21.1
525.27167	57.0
557.30859	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57298	0.9
61.98836	100.0
66.41714	0.9
66.56996	1.2
80.40475	1.2
84.06006	1.1
89.45174	1.2
93.91512	1.4
106.94903	1.1
148.36894	1.1
182.79237	1.1
317.71451	1.2
386.67206	1.1
426.60452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.04
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.2
59.01387	44.2
60.01725	1.9
61.98843	2.0
65.40927	0.9
71.01391	16.9
72.01717	1.6
72.99339	4.1
73.02949	1.4
75.00874	17.3
75.01258	1.3
76.88133	0.9
78.95921	1.8
83.01404	1.8
85.02967	5.6
87.00896	1.6
88.04926	0.9
88.98831	1.9
89.02441	23.6
89.02933	1.3
90.02798	1.7
92.10857	2.9
93.03450	9.0
95.01406	2.1
96.96010	70.4
97.95963	2.1
98.94950	2.4
98.95594	49.4
98.96445	6.8
99.00886	1.8
99.92586	37.6
100.93349	7.2
101.02446	9.3
108.02188	4.4
109.03014	1.9
113.02441	7.0
115.92078	74.2
116.92881	4.8
117.03474	1.2
119.03531	7.1
119.05024	5.6
121.02949	14.8
122.03278	1.3
122.42468	0.9
131.04935	1.3
133.02977	6.2
134.03738	11.7
135.03003	35.6
135.04512	12.5
137.02448	5.4
145.02951	4.6
152.99541	3.7
161.02432	4.9
161.04562	2.2
163.04018	1.2
171.10295	2.1
173.04575	18.6
174.04900	5.3
175.04974	1.9
179.03468	4.1
179.05547	6.9
184.00800	1.1
191.05659	1.5
211.13376	1.5
215.95175	6.0
216.96005	51.2
217.96779	23.2
218.97577	52.6
219.94739	1.7
220.95502	17.3
221.96257	3.9
244.95557	7.3
253.08650	1.6
262.96570	100.0
263.96796	1.1
289.07108	1.2
295.08389	3.9
296.08496	1.2
297.08841	1.4
312.03467	1.0
329.23318	1.8
354.99179	4.8
373.00259	52.6
439.13834	5.4
469.80472	1.6
477.02881	2.2
495.04047	25.7
497.24518	2.0
521.33289	2.3
557.29584	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	557.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
57.03471	1.4
59.01388	35.1
61.98841	5.9
67.97513	0.7
71.01388	16.1
72.99326	5.8
73.02954	3.8
75.00874	45.5
78.95956	1.0
81.03440	0.9
83.01386	1.4
85.02975	6.5
87.00883	1.9
88.98836	1.8
89.02456	11.5
93.03471	6.0
96.96029	4.0
99.00926	1.6
101.02451	7.6
108.02174	1.5
109.02973	1.4
111.04558	0.9
113.02451	6.4
116.92863	1.0
117.01958	4.0
119.05036	10.5
121.02947	14.8
133.02945	1.5
134.03725	4.1
135.03012	100.0
135.04466	6.1
137.02432	6.3
141.01645	1.0
143.05070	1.0
145.02962	3.6
159.03098	0.9
161.02490	1.0
161.04544	8.9
161.05939	1.6
162.03249	1.1
163.04076	8.2
173.04526	3.3
175.40935	0.9
178.02731	3.4
179.03485	1.4
191.05579	3.8
198.74347	0.9
205.08727	0.9
210.29341	0.9
217.38416	1.1
226.06310	1.8
245.08569	1.1
253.08676	6.7
254.09560	2.0
273.18655	1.2
279.06958	0.8
281.06857	1.2
296.05380	1.8
335.18591	1.8
335.22241	1.7
439.14166	12.0
519.33392	4.2
521.34448	1.1
557.16913	1.7
557.24591	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29062	1.1
59.01398	1.4
61.98848	7.9
68.49010	1.3
78.95933	6.4
79.42983	1.4
82.95385	1.2
100.77926	1.2
122.02832	1.4
140.01225	1.8
200.43961	1.7
214.04929	1.8
237.86530	1.5
277.21759	100.0
375.55417	1.5
474.26340	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01228	1.9
52.19592	2.1
55.75262	2.1
59.01392	5.2
61.98837	50.0
76.96529	2.3
89.02387	2.5
90.91084	2.2
108.83287	2.5
147.94998	2.4
253.09406	12.7
277.21793	100.0
332.11069	2.4
347.42093	2.7
471.34506	7.8
556.32678	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2855
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
50.18230	1.0
54.82742	1.3
59.01387	1.2
60.07789	1.2
61.98827	1.3
71.01373	8.7
73.02974	2.2
78.98607	6.6
79.95738	11.9
80.96518	81.6
84.80566	1.1
85.02961	5.3
87.00891	2.5
91.53318	1.1
92.85181	1.1
94.98092	18.5
96.96043	1.3
101.02428	1.9
101.49998	1.1
106.98135	4.4
122.97572	2.2
133.91093	1.4
134.97574	6.7
136.10789	1.3
136.99208	1.4
148.99216	8.3
152.98648	7.8
164.98633	13.8
206.99687	4.3
216.34357	1.3
225.00749	17.5
299.04410	2.4
537.77960	1.2
555.28571	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	19.7
61.98852	2.9
71.05030	4.5
72.85760	1.1
103.81780	1.1
106.94064	1.3
125.09628	1.2
209.11877	2.8
211.13412	7.1
224.58162	1.3
246.83347	1.2
411.32907	2.5
413.34341	9.7
473.36469	100.0
474.36832	1.3
520.45880	1.4
555.36792	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2787
Annotation	ciguatoxin IJKLM cyclic acetal
Peak:m/z	Relative Intensity
64.34765	0.8
68.57584	0.9
75.70796	0.8
85.40329	0.8
99.92587	20.9
100.93367	9.1
115.92079	100.0
116.92848	4.2
146.11137	1.1
207.25583	1.0
277.21692	4.0
291.32980	0.9
381.81329	1.0
425.39612	1.0
456.35916	1.5
457.36078	1.8
555.27881	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	555.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04928	0.5
57.20097	0.6
75.50374	0.7
79.11867	0.6
88.52971	0.7
99.92594	36.2
100.93364	8.8
104.44537	0.7
111.93196	0.7
115.92081	75.0
116.92857	3.7
455.35730	1.2
456.35358	3.1
457.35803	2.5
540.25256	1.1
555.27917	100.0
556.27820	2.6
569.26111	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	78.5
61.98819	18.2
71.01380	67.1
73.02950	10.3
85.02962	32.0
89.02474	8.5
93.03487	8.4
101.02466	38.1
107.69798	5.3
113.02455	24.2
121.02968	38.0
122.03236	5.8
138.49867	6.1
145.65518	6.9
161.04533	9.4
173.04521	10.7
333.23148	11.3
438.14777	6.1
495.28220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43017	0.6
55.01890	1.3
57.03471	2.8
58.00607	3.4
59.01386	100.0
71.01382	65.8
72.99329	3.1
73.02948	13.4
75.00879	4.4
82.00243	0.7
83.01391	5.6
85.02961	14.7
86.00564	0.8
87.00881	4.5
89.02444	75.8
93.03477	3.5
95.01386	5.0
96.96009	15.6
97.02935	0.9
101.02446	61.1
103.67434	0.6
108.02192	1.3
113.02462	21.8
116.14754	0.6
119.03501	27.5
119.04933	1.2
121.02976	3.2
123.04497	0.8
125.02477	2.6
131.03532	6.4
135.03055	1.5
135.04480	1.1
137.02423	0.8
141.02191	0.7
143.03499	4.5
145.02948	0.8
149.04517	1.2
152.01143	1.2
155.10829	0.7
161.04565	12.9
163.03990	0.8
169.57771	0.7
173.04604	1.0
179.05621	59.3
191.05618	3.9
204.70598	0.7
215.07191	1.1
221.06688	18.6
226.06514	0.8
227.07086	0.7
239.72684	0.7
241.08850	0.7
249.54959	0.7
285.03952	2.2
332.34232	0.8
333.26624	1.5
349.14532	0.8
418.38531	0.8
495.31839	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	555.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48075	0.2
55.19498	0.3
59.01389	28.3
61.98835	4.3
69.03457	0.4
71.01392	3.7
73.02959	1.4
75.00889	0.6
83.01399	0.5
85.02974	1.8
86.00131	0.5
86.31389	0.3
87.00917	0.3
87.04546	0.5
88.98824	1.4
89.02487	0.3
93.03463	1.4
93.66318	0.3
95.01411	0.4
99.00861	0.5
101.02463	1.4
115.45049	0.3
119.05060	0.3
121.02959	100.0
122.03303	0.4
123.04505	0.6
125.02441	0.4
127.11263	0.3
131.05057	0.3
135.03017	1.4
135.04564	0.7
145.02933	1.2
157.12355	1.5
159.04483	0.4
167.03481	1.6
171.86520	0.3
173.04584	1.1
185.11884	0.4
203.12906	2.9
251.07080	1.4
271.58377	0.4
319.13382	0.5
329.16043	2.6
347.13049	0.5
347.17148	7.9
349.14429	1.8
357.26587	0.6
419.11505	1.5
423.55487	0.4
451.19815	12.4
469.20862	21.3
470.20959	0.5
511.21912	44.3
512.22046	1.2
552.16388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06024	0.8
57.03470	9.1
59.01392	15.8
69.03457	5.4
70.66740	0.8
71.01385	15.3
71.02693	0.9
72.99308	4.0
73.02953	2.0
75.00875	38.3
83.01398	1.9
84.02181	1.2
85.02950	16.1
87.00878	11.9
87.04513	4.8
89.02448	5.0
94.30054	0.9
97.02939	7.7
99.00881	11.6
101.02433	1.5
121.02956	4.2
129.01962	14.1
129.28592	1.0
137.09732	11.0
141.01962	2.0
146.14951	1.1
155.10789	70.0
159.03023	1.5
169.12312	3.8
177.04070	51.8
181.08672	4.4
195.57495	1.0
199.07965	1.4
199.09782	22.8
213.11278	1.3
234.01311	1.0
241.10844	6.7
257.88272	1.1
352.30249	1.1
359.13455	7.1
377.14597	7.5
419.15588	1.4
479.17288	1.9
501.16354	2.0
528.98212	1.1
537.18262	21.9
555.19342	100.0
556.20422	1.3
579.60651	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22891	0.5
53.71432	0.5
55.01889	1.0
55.14602	0.5
57.03449	6.9
59.01385	11.8
64.78502	0.6
69.03463	5.0
71.01385	14.7
72.99310	6.3
73.02950	4.0
75.00468	1.4
75.00872	23.9
75.97911	0.6
83.01357	0.8
83.62782	0.6
84.02175	0.8
85.02956	21.8
87.00875	10.0
87.04523	4.3
87.96924	0.6
89.02442	2.7
92.10825	1.1
97.02945	6.3
99.00875	10.8
101.02448	3.1
111.00887	0.9
121.02965	27.3
129.01958	15.5
137.02487	1.0
137.09727	12.6
139.11287	0.8
141.01944	4.2
147.03026	1.2
153.01842	1.0
155.10796	100.0
156.11176	1.1
159.02962	3.4
169.12358	2.4
177.04060	51.3
180.93794	0.7
181.08653	1.2
191.05623	1.2
195.05051	1.3
199.07957	1.2
199.09798	35.5
199.13597	1.0
213.11292	0.9
231.69595	0.7
241.10864	8.0
269.06610	4.0
359.13541	6.2
377.09891	1.1
377.14569	20.9
479.17645	1.3
501.15747	0.9
537.18378	17.2
555.19336	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92474	0.9
59.01391	14.4
59.08328	1.0
61.98838	31.1
61.99122	1.6
64.22573	0.9
71.01392	7.9
72.99321	1.5
73.02957	1.5
75.00876	11.6
83.01404	1.0
85.02965	2.3
87.00886	1.3
88.98817	9.7
89.02467	4.1
93.03466	18.8
95.01408	1.0
95.47689	1.0
96.96004	13.2
97.02950	1.1
99.00906	1.0
101.02469	2.4
107.01401	1.1
108.02192	2.2
109.02993	1.9
113.02470	1.5
116.92860	1.4
117.03498	2.2
119.05047	14.5
121.02967	13.1
123.04498	1.3
130.04259	4.8
131.05051	12.7
132.05865	2.1
133.02942	1.2
133.06612	1.4
135.02995	17.1
135.04568	6.2
136.98848	4.3
137.02487	2.3
143.05049	3.6
145.03001	5.3
145.06595	2.1
146.03784	5.7
147.04561	5.1
151.00417	1.5
151.07634	1.2
152.01196	1.8
155.10849	1.2
156.05812	1.4
157.06622	4.1
158.03842	1.5
159.04541	27.1
160.05373	1.5
161.02473	1.7
161.06142	3.7
171.04524	1.7
172.05347	8.4
173.04582	7.6
173.06111	23.2
174.03246	1.4
174.06877	16.9
175.07634	11.9
181.06619	1.0
183.04536	1.5
185.06096	6.5
186.06874	2.2
187.04045	8.2
187.07635	18.2
188.04791	5.5
189.05649	1.0
189.09265	1.8
191.05606	2.2
196.05309	2.4
197.06113	6.3
198.06886	5.0
199.04024	2.2
199.07663	11.5
200.04785	4.6
201.05640	7.3
201.09279	4.3
202.02594	1.0
203.03482	7.3
204.08005	1.6
209.06088	5.4
211.07690	3.7
212.04886	2.1
213.05699	9.0
213.09224	5.9
214.06438	7.1
215.07144	11.3
216.08003	6.0
217.05066	1.2
217.08803	9.6
219.03093	1.3
223.07719	4.7
225.05643	2.0
225.09267	3.9
227.07205	5.2
229.01488	5.5
229.08723	6.3
237.09270	1.7
239.07321	1.3
239.59880	1.1
241.08667	1.9
242.09557	5.1
243.06573	5.9
243.10371	6.9
248.08380	1.5
250.06389	1.7
251.07179	1.8
255.10326	2.1
259.07550	1.0
262.10007	2.1
275.07205	4.2
276.08072	8.6
277.05270	9.6
277.08737	7.7
278.06015	1.0
284.03372	1.1
285.09216	1.7
288.08261	1.3
289.08759	1.8
290.09473	2.4
291.10327	4.8
301.08759	16.4
302.09555	26.4
303.10333	1.7
305.11890	31.6
306.12158	1.2
307.13809	0.9
313.07367	1.2
313.12445	4.9
315.10361	5.2
316.11288	1.3
317.08289	1.7
319.09784	2.0
320.10577	6.1
322.04990	2.4
331.09836	2.2
331.13470	55.6
347.13031	5.1
349.14536	100.0
375.12668	7.1
393.13519	15.0
419.11423	24.6
437.12222	7.5
465.21698	1.3
495.28287	1.5
519.31726	1.8
527.62323	1.0
555.15106	18.4
555.30347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41096	1.1
51.51371	1.1
52.03455	1.3
54.14124	1.5
54.70571	1.4
54.83200	1.4
59.01398	11.8
59.25554	1.3
61.98843	10.7
65.00329	6.4
71.01385	3.2
72.99324	6.8
75.00875	49.0
82.95470	1.9
84.79971	1.5
87.04538	2.6
89.02454	10.0
93.03448	20.8
96.96025	2.0
108.02184	2.1
109.02972	10.0
117.03459	7.3
119.05031	15.6
121.02943	8.9
125.02353	1.7
130.04289	13.1
131.05035	28.0
132.12636	1.9
135.03011	68.0
135.04552	3.5
136.98801	28.4
137.02429	2.1
143.05055	8.0
145.02963	12.6
145.06651	1.6
146.03758	3.9
147.04524	13.1
147.82675	1.8
149.06100	3.0
151.00365	2.6
152.01202	1.6
155.05113	1.6
156.05727	1.6
157.02986	7.3
158.03773	3.2
159.04526	41.5
161.06122	7.0
171.04567	9.0
171.08012	2.1
172.05344	19.3
173.04691	2.6
173.06079	17.1
174.06767	2.2
175.07661	9.3
183.04480	10.2
185.06090	9.7
186.06882	2.9
187.04008	12.9
187.07683	24.4
188.04782	10.8
189.05559	2.0
191.05655	2.0
195.04558	2.0
196.05289	7.8
197.06085	16.7
198.03273	8.5
198.06914	2.9
199.03986	12.0
199.07668	18.3
200.04840	8.7
201.05658	14.8
201.09270	2.7
202.02711	15.6
203.03535	66.6
203.07098	2.8
204.07883	2.5
209.06026	6.2
211.04030	17.1
211.07742	6.5
212.04781	9.1
212.08412	3.8
213.05557	17.1
213.09184	2.9
214.06349	9.4
215.07172	35.3
216.07916	2.8
217.08694	8.0
223.07671	6.4
224.04793	2.9
224.08452	3.3
225.05598	22.1
225.09195	7.5
227.07140	16.1
229.01453	48.1
229.08708	3.0
239.03456	6.5
239.07159	6.8
240.04350	2.3
240.07954	6.8
241.08664	14.6
242.09518	8.5
243.02998	9.3
243.10350	8.1
245.04547	10.0
251.07251	6.1
253.05157	3.5
253.08757	2.8
255.02971	1.9
255.10321	2.4
262.10028	8.0
268.07440	5.6
269.04633	2.7
269.08203	10.3
275.07312	3.6
276.07886	10.9
277.05518	1.5
277.08710	6.4
277.12228	2.2
283.02853	11.1
283.05444	2.1
289.08881	19.2
290.09500	9.0
291.10272	7.2
295.06158	3.0
301.08517	6.7
302.09549	6.0
303.07205	3.8
303.10330	8.0
304.11026	12.1
305.11899	59.3
306.12488	3.1
312.06421	3.9
313.07153	14.3
317.08267	21.5
318.09048	8.8
319.09613	2.2
319.13043	2.2
320.10385	2.9
322.04974	3.3
322.08505	2.2
325.07272	1.9
329.11954	8.7
331.09717	2.6
331.13364	32.4
345.07703	2.0
346.08466	6.6
347.12909	33.5
349.14502	52.8
357.11609	2.5
375.12521	55.7
376.09625	12.2
393.13416	7.0
419.11426	100.0
437.12354	7.8
555.15051	5.8
555.23126	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	555.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.8
63.65534	1.7
65.00339	2.6
71.01393	3.8
72.99297	1.7
74.10853	1.6
75.00867	30.1
76.13789	1.6
78.95924	3.5
85.02956	1.6
89.02467	3.9
93.03454	18.9
109.02974	2.9
117.03481	2.8
119.05043	10.9
121.02959	33.2
130.04247	11.1
131.05022	17.9
135.02998	45.1
135.04529	3.9
136.98808	24.9
143.05045	6.5
145.02960	8.3
146.03729	5.8
147.04549	11.2
150.03244	3.9
155.04979	1.6
155.10815	3.3
157.02937	2.5
158.03732	3.3
159.04535	29.7
161.06123	2.8
163.03999	1.7
165.05589	3.2
171.04559	3.9
172.05316	7.2
173.06071	12.2
174.06877	1.9
175.07632	7.7
183.04514	2.5
185.06093	8.5
186.06949	2.3
187.04050	11.1
187.07596	20.2
188.04802	8.5
189.05548	2.4
191.05614	4.1
196.05286	7.4
197.06065	12.1
198.03178	3.1
199.04016	6.5
199.07657	9.5
200.04796	7.1
201.05588	14.2
201.09404	2.1
202.02737	10.6
203.03539	52.2
204.07947	2.1
209.06180	2.5
211.04048	8.9
211.07570	3.0
212.04817	3.8
213.05618	13.1
213.09305	3.3
214.06346	4.1
215.07205	30.9
216.07904	3.2
217.06642	1.9
217.08685	9.7
223.07735	2.5
224.04903	2.8
224.08383	2.0
225.05634	13.0
225.09177	7.4
226.06357	1.7
227.07126	11.9
229.01457	26.7
229.08838	2.7
239.03468	3.9
239.07159	3.0
241.08707	8.7
242.09474	3.4
243.02950	9.6
243.10310	8.6
245.04544	11.2
255.10266	2.9
262.10056	3.6
268.07449	2.1
269.04398	2.0
269.08240	3.9
275.07172	1.7
276.08044	11.8
277.08652	3.7
278.05630	1.7
283.02521	6.9
289.08731	9.8
290.09393	7.1
291.10327	6.7
292.10788	1.9
295.05948	3.3
302.09579	3.4
303.10309	2.6
304.11209	3.4
305.11887	46.9
312.06357	3.4
313.07208	15.0
317.08151	10.5
318.08929	9.3
319.09842	1.9
319.13232	2.0
320.10526	2.2
322.04883	3.8
329.11832	2.4
331.10098	2.4
331.13440	19.3
346.08426	3.8
347.13058	20.2
349.14532	34.0
375.12463	45.0
376.09537	12.2
419.11469	100.0
437.12369	2.4
543.22693	1.8
555.25568	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97379	2.6
54.55215	2.2
57.03452	2.5
59.01384	23.8
61.98835	4.0
65.00335	4.1
68.34943	2.6
69.28593	2.2
71.01421	10.8
72.99332	4.0
75.00871	38.7
75.01238	2.4
78.95933	4.4
81.67570	2.5
85.02990	6.1
85.45029	2.7
87.00938	2.8
88.98841	5.7
89.02477	12.1
93.03468	31.5
94.66498	3.1
96.96017	58.7
97.02953	2.5
101.02506	3.1
108.02202	3.0
109.02980	14.3
116.92870	6.4
117.03492	5.4
117.47646	3.0
119.05035	20.6
121.02964	44.8
122.03782	6.0
123.04546	16.9
125.02464	4.1
130.04253	15.1
131.05011	28.0
133.02977	6.3
135.03001	56.1
135.04578	11.4
136.98825	36.7
137.02454	11.8
143.05089	4.8
145.02975	11.7
147.04573	5.9
149.02469	52.3
150.03236	61.7
151.03970	3.4
152.99617	11.1
155.04971	3.8
155.10762	3.0
159.04512	35.1
160.05257	3.5
161.02411	4.5
161.06111	6.0
163.04059	5.4
164.04834	9.6
165.05586	42.0
171.04512	5.3
171.10283	4.6
172.05270	12.1
173.04617	10.1
173.06090	12.5
174.06847	4.0
175.07703	11.8
177.05597	5.0
179.03438	3.6
180.89749	3.0
185.06039	13.4
187.04005	6.3
187.07703	26.7
188.04852	4.7
191.05592	20.3
195.04662	2.9
195.06686	12.7
196.05302	5.7
197.06076	6.4
198.03323	3.2
199.07701	15.6
200.04831	5.2
201.05612	17.1
202.02704	12.5
203.03560	72.7
211.04054	12.3
211.07632	3.4
211.13411	4.4
212.04796	3.2
213.05681	18.8
213.09181	3.7
214.06403	6.0
215.07176	30.0
216.07893	5.1
217.08667	5.2
223.07755	3.0
225.05626	13.2
225.09236	3.9
227.07187	11.8
229.01501	32.9
239.03442	4.7
239.07378	3.5
241.08763	10.8
243.03172	6.0
243.10373	6.6
245.04570	13.4
245.08076	3.6
251.07356	4.2
255.03104	6.2
268.07513	6.6
269.08218	5.6
276.07721	19.2
277.08615	3.7
283.02576	5.1
289.08719	13.4
291.10358	3.5
297.11334	3.7
300.07861	3.7
301.08878	4.2
302.09418	3.8
304.11182	5.3
305.11911	54.5
312.06299	3.0
313.07315	15.2
317.08328	12.9
318.09189	3.6
327.21713	4.2
329.13940	14.7
331.13440	19.1
347.12924	17.7
349.14536	40.0
375.08511	3.6
375.12476	49.2
376.09570	17.2
393.13605	4.1
419.11426	100.0
431.14584	3.7
477.18839	4.7
507.20230	55.6
555.25531	16.8
580.37543	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	554.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	7.4
61.46793	0.5
61.98837	100.0
71.01382	1.1
75.15344	0.5
93.03469	3.8
94.03809	0.5
109.51048	0.5
111.04513	0.8
116.92902	0.5
121.02975	11.4
122.03290	3.0
133.56746	0.5
135.04373	0.5
137.02457	2.7
138.02876	0.6
168.77042	0.5
173.04555	8.2
174.04921	0.8
187.07584	0.8
203.09612	0.6
227.14531	0.5
231.98074	0.5
243.06558	1.1
296.08603	1.1
494.12259	0.8
574.88702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18015	0.3
59.01388	8.4
61.98831	3.3
77.12106	0.4
77.13259	0.4
78.95902	6.1
80.98825	0.4
83.01424	0.4
109.75529	0.4
121.47242	0.5
152.99576	0.6
168.04376	0.8
209.11816	0.5
224.06940	0.6
242.08006	2.5
267.45932	0.4
277.21704	1.7
279.23334	100.0
280.23709	0.7
295.60941	0.5
504.31058	32.0
507.00793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68267	0.4
54.93310	0.4
59.01391	21.7
61.98856	0.9
75.66227	0.6
78.95906	18.2
83.95931	0.5
90.09579	0.5
148.50255	0.5
152.99599	1.2
168.04327	4.2
224.07001	5.8
242.08060	1.1
255.23325	100.0
256.23859	0.6
266.06418	0.6
286.24783	0.5
303.67120	0.5
321.90564	0.6
480.31067	46.4
487.87601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61931	0.1
59.01387	2.6
59.86525	0.1
60.76876	0.1
67.01900	0.2
70.16302	0.1
71.01383	1.2
75.00905	0.1
78.95932	0.2
79.95737	1.6
85.02954	0.2
86.55087	0.1
88.35696	0.1
89.02445	1.4
93.03474	1.9
96.96013	100.0
101.02451	0.6
109.03012	0.3
111.04511	0.3
113.02457	0.2
119.03507	0.5
121.02968	2.2
124.30877	0.1
133.02948	0.2
135.04471	0.2
137.02435	0.6
154.41194	0.1
155.03497	0.2
161.04471	0.2
173.04565	10.5
179.05573	0.6
214.96635	0.2
251.07185	0.2
260.97025	0.3
276.08270	0.1
295.08267	4.8
371.00748	0.2
457.11539	0.2
555.29633	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43040	1.2
53.81349	1.1
61.98851	1.1
74.86174	1.3
78.95915	7.2
82.66513	1.2
82.89602	1.3
92.10050	1.4
116.26717	1.4
116.92848	2.6
142.35780	1.3
210.18016	1.5
262.30939	1.5
279.23303	6.3
471.34882	100.0
553.35175	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3517
Annotation	Muscanone
Peak:m/z	Relative Intensity
51.11226	1.6
59.01389	8.5
61.98848	6.7
68.46716	1.7
97.06585	8.8
102.94933	1.9
110.95379	1.8
119.21991	1.7
128.10930	1.8
151.35255	1.7
391.30228	12.9
405.31570	10.6
407.33154	16.5
423.28549	2.3
441.33591	2.4
451.32260	23.7
453.33832	100.0
471.34842	69.8
553.27948	3.7
553.35187	99.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.352
Annotation	Muscanone
Peak:m/z	Relative Intensity
59.01397	1.5
61.98838	5.2
62.84230	0.8
67.90337	0.9
109.27378	0.9
110.04848	1.0
117.26836	1.0
127.72523	1.1
222.78433	1.0
398.95978	1.2
471.34860	100.0
472.35172	2.0
550.80750	1.0
553.35162	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26047	2.0
57.10345	1.8
69.03465	10.3
74.56287	2.2
90.17696	2.3
92.10110	4.2
130.81912	2.5
151.11414	3.4
161.09705	5.3
164.14774	2.3
179.10818	20.1
197.10173	4.7
197.11873	97.0
241.10916	14.1
255.23343	100.0
297.13406	3.6
315.14630	9.6
553.37616	90.8
583.22186	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	553.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	30.3
59.17544	7.2
61.98830	74.9
63.70131	6.2
67.05421	7.1
68.30525	6.8
75.07729	6.9
77.85406	8.0
93.03442	32.5
121.02962	62.9
135.04532	31.1
137.02432	33.9
161.02460	9.4
168.18370	8.0
173.04504	10.8
177.75688	8.1
179.03571	9.9
259.94672	8.8
304.62296	9.2
334.06897	32.0
401.23181	8.7
469.29648	35.0
517.31720	100.0
553.29498	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30826	1.5
57.49698	1.3
61.98829	1.5
71.39056	1.3
73.41573	1.4
76.14017	1.3
78.95925	8.3
86.11626	1.5
105.00905	2.1
112.22662	1.5
243.18199	1.8
266.83072	1.5
279.23315	3.2
374.51843	1.7
406.69470	1.8
442.38504	1.6
471.34842	100.0
504.31241	3.0
525.96014	1.6
553.35114	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95927	7.1
108.34559	3.5
156.12892	3.1
159.63596	3.1
160.15997	3.8
300.33078	3.2
471.34885	100.0
479.16263	3.5
480.10110	3.7
496.71747	3.7
553.35272	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98517	0.5
55.01885	0.9
57.03468	1.0
58.00602	2.3
59.01387	53.3
61.98837	2.6
71.01383	25.7
71.05051	0.6
72.99322	1.2
73.02950	6.5
75.00874	4.4
83.01395	3.1
85.02950	9.2
87.00868	3.4
88.98808	0.7
89.02448	28.6
93.03471	2.7
95.01397	0.9
96.96029	1.2
97.02966	2.3
97.06596	0.8
99.00884	3.6
101.02440	24.3
104.33798	0.6
108.02200	1.1
109.02970	1.0
109.06618	0.5
111.04454	0.5
111.08183	0.6
113.02473	9.5
117.03583	0.5
119.03531	9.3
119.05019	9.1
121.02962	26.3
125.09724	2.6
131.03500	1.1
135.02980	0.7
135.04532	3.8
137.02435	0.7
143.03543	0.7
149.06085	0.7
152.01196	0.6
156.75269	0.5
161.04564	2.6
163.04025	3.0
163.06119	4.8
163.11333	1.2
165.12862	12.4
173.04581	0.7
177.03955	0.7
179.05630	3.1
181.05696	0.9
181.07208	18.3
181.12411	4.0
181.68413	0.5
183.13925	44.9
191.05656	3.0
195.13956	1.1
197.15523	15.7
205.07127	0.6
207.10287	10.5
207.13942	2.2
209.11885	0.9
211.07500	0.5
223.07527	0.9
225.11394	16.6
225.14969	2.1
227.12944	8.5
241.14301	0.8
243.12161	0.6
251.12926	2.1
253.09344	0.7
257.14047	2.7
279.06558	0.5
285.03876	1.0
325.11548	2.3
343.12485	15.7
429.11957	1.3
461.20273	10.0
490.10855	1.2
493.16928	0.7
535.24683	0.7
553.25153	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	553.2148
Annotation	N-Methylheteropsine
Peak:m/z	Relative Intensity
51.81682	1.2
52.07949	1.0
55.01878	2.1
57.03465	13.3
59.01386	36.3
61.32750	1.2
61.98842	6.4
68.99813	1.4
69.03487	4.8
71.01388	31.2
71.53720	1.1
72.99304	5.9
73.02951	5.1
75.00873	54.1
75.01292	1.9
81.72183	1.2
83.01379	5.3
84.02191	2.3
85.02952	24.8
87.00877	16.9
88.44583	1.6
89.02446	10.5
92.10732	4.0
93.03464	3.0
94.98106	5.3
96.95995	2.8
97.02949	8.3
99.00879	16.4
101.02439	12.2
105.01942	2.5
110.14146	1.6
111.00904	5.2
111.08201	1.9
111.95110	1.3
113.02451	3.3
116.92943	1.5
117.01986	1.4
119.03536	1.6
121.02951	6.9
129.01962	26.0
135.04514	7.4
141.01898	2.1
159.02957	10.8
161.04500	1.8
165.04016	7.5
165.12856	29.6
173.04613	2.9
174.23401	1.5
175.24248	1.4
177.02525	2.3
177.04063	59.0
179.03473	3.1
183.13928	84.4
191.05617	7.8
191.10741	1.3
195.05159	25.4
197.15483	3.2
207.13963	1.8
209.11850	2.0
227.12939	31.3
387.16602	10.4
405.17749	57.9
493.22955	2.4
493.30194	5.2
535.20306	6.2
553.21454	100.0
553.29993	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	553.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11830	1.1
55.01891	6.7
57.03466	6.8
59.01387	83.7
71.01382	63.4
71.01775	1.6
71.92602	1.3
72.99317	2.4
73.02943	14.7
75.00887	2.6
83.01399	11.2
85.02960	28.3
87.00873	2.7
88.92771	1.5
89.02448	40.2
93.03471	1.7
95.01387	2.4
96.96005	1.5
97.02927	2.1
99.00909	8.4
101.02440	47.5
113.02451	25.2
115.00380	1.5
119.03488	14.9
121.02946	18.4
129.02034	2.3
131.03484	1.8
139.11305	2.1
143.03519	2.9
147.03040	1.5
149.02400	1.3
150.03224	6.4
155.10855	1.8
159.02998	2.1
161.04579	15.4
177.04066	7.9
179.05685	7.6
183.10193	2.0
187.63423	1.6
191.05681	5.5
195.06709	1.9
226.87335	1.5
243.12314	3.2
260.88376	1.6
271.61301	1.9
298.51010	1.5
311.09183	1.3
331.17734	19.2
343.12000	3.0
352.00766	1.5
391.14020	5.5
493.23044	100.0
493.30402	3.3
549.95935	1.5
553.18262	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	553.1788
Annotation	Bidebiline B
Peak:m/z	Relative Intensity
52.71104	0.8
55.01892	4.3
57.03452	12.3
59.01385	40.7
59.31870	0.8
60.37422	0.9
67.96201	1.0
69.03461	2.4
71.01383	41.3
72.99318	4.8
73.02937	8.4
75.00872	47.3
76.14777	1.1
79.99802	0.9
83.01405	5.6
85.02958	30.4
87.00877	15.1
87.04522	1.6
89.02443	26.1
93.03441	1.8
95.01390	1.7
96.96012	1.5
97.02961	5.8
99.00911	10.6
101.02451	19.0
102.38419	1.0
103.00383	1.2
111.00877	1.9
111.04484	1.1
113.02453	13.1
116.22002	0.9
119.03474	6.6
121.02943	4.3
122.04937	1.0
129.01941	19.1
131.03473	1.8
133.10197	2.4
135.08141	1.4
136.05357	1.0
137.02466	1.7
141.01892	3.9
149.02419	1.5
150.03261	11.3
151.03998	4.3
153.08044	1.7
153.09219	35.0
153.71901	1.1
155.10791	1.4
156.45815	1.0
159.02998	6.6
161.04550	5.1
165.05547	4.4
170.98518	1.0
177.04062	70.3
177.09174	1.1
179.05624	12.9
191.05569	1.7
195.05139	6.6
195.06682	1.9
195.10233	2.0
197.08134	5.0
197.74368	1.1
209.04758	1.2
211.14630	1.1
221.06578	2.1
239.09238	1.1
243.12335	2.2
261.43213	0.9
315.07147	1.3
331.17480	1.4
333.71866	0.9
357.11823	3.9
367.40109	1.2
375.13104	6.9
391.13992	2.1
477.16165	1.9
491.18942	1.6
493.22989	25.5
499.14532	2.1
535.16821	25.2
553.17847	100.0
554.17255	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	0.6
59.01392	1.8
60.99318	0.4
61.98861	0.4
67.01910	4.5
68.99826	0.3
69.03467	0.5
71.01386	3.2
76.06083	0.2
81.03484	1.0
83.05042	1.1
86.62583	0.2
87.00879	0.3
90.89850	0.3
93.03461	26.1
95.01419	0.3
109.02965	1.4
111.00884	1.0
111.04523	5.6
112.41976	0.2
113.02489	0.3
121.02957	31.7
137.02449	6.2
155.03526	6.0
172.05289	2.5
173.04565	100.0
174.04904	0.4
183.04489	0.5
187.07663	14.2
199.04074	1.9
199.92076	0.3
200.04788	0.6
202.06412	0.4
204.04417	0.4
213.09259	1.8
215.07164	2.7
227.03487	2.4
228.04364	1.3
229.08711	0.5
231.06622	0.5
231.10294	1.3
257.08237	8.6
275.09213	0.3
295.08258	27.3
329.10214	0.2
347.97836	0.2
387.10629	0.4
389.16336	0.3
416.17877	0.3
431.13437	3.3
504.22849	0.3
553.17297	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.6
59.05167	0.3
61.98835	2.4
65.03963	1.2
66.66925	0.3
71.01399	0.4
81.03478	0.5
86.60073	0.3
90.42120	0.3
93.03458	45.3
105.03454	0.5
108.02177	0.4
109.02972	0.7
111.04546	0.4
112.09367	0.4
113.97743	0.3
121.02960	100.0
122.03354	0.3
127.04048	0.6
132.02144	0.4
133.02959	2.5
134.03738	2.9
135.04524	1.9
137.02452	41.6
155.03519	7.4
160.01707	0.4
173.04546	8.2
177.01935	0.3
178.02666	0.4
179.03476	0.4
231.10263	2.0
275.09241	2.2
295.08255	3.3
300.98352	0.3
334.06921	3.4
431.13672	2.2
517.31567	0.6
522.98859	0.3
553.17297	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	0.6
59.01392	1.8
60.99318	0.4
61.98861	0.4
67.01910	4.5
68.99826	0.3
69.03467	0.5
71.01386	3.2
76.06083	0.2
81.03484	1.0
83.05042	1.1
86.62583	0.2
87.00879	0.3
90.89850	0.3
93.03461	26.1
95.01419	0.3
109.02965	1.4
111.00884	1.0
111.04523	5.6
112.41976	0.2
113.02489	0.3
121.02957	31.7
137.02449	6.2
155.03526	6.0
172.05289	2.5
173.04565	100.0
174.04904	0.4
183.04489	0.5
187.07663	14.2
199.04074	1.9
199.92076	0.3
200.04788	0.6
202.06412	0.4
204.04417	0.4
213.09259	1.8
215.07164	2.7
227.03487	2.4
228.04364	1.3
229.08711	0.5
231.06622	0.5
231.10294	1.3
257.08237	8.6
275.09213	0.3
295.08258	27.3
329.10214	0.2
347.97836	0.2
387.10629	0.4
389.16336	0.3
416.17877	0.3
431.13437	3.3
504.22849	0.3
553.17297	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73015	0.1
57.03455	0.8
59.01385	1.7
60.99333	0.4
61.87548	0.2
61.98848	0.3
62.82498	0.2
64.42966	0.2
67.01896	3.6
69.03461	0.4
71.01379	3.1
73.02898	0.2
76.57489	0.2
81.03452	0.4
83.05041	0.9
85.02953	0.2
92.10123	0.6
93.03458	24.8
109.02956	0.8
111.00893	0.8
111.04532	5.8
111.05305	0.2
113.02505	0.3
121.02954	30.7
127.04008	0.4
137.02452	5.5
155.03510	5.0
172.05247	2.2
173.04559	100.0
174.04837	0.3
181.29488	0.2
183.04510	0.5
187.04036	0.4
187.07663	13.6
199.04033	1.5
200.04825	0.4
201.05518	0.3
211.07689	0.3
213.09283	1.7
215.07237	2.9
227.03545	1.9
228.04288	1.2
229.08777	0.4
231.06645	0.3
231.10254	1.0
257.08237	9.2
275.09222	0.4
294.92526	0.2
295.08264	28.2
296.08615	0.3
387.10846	0.4
431.13589	3.4
509.13806	0.2
550.03851	0.2
553.17444	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01181	0.5
55.12625	0.4
59.01393	0.6
62.53556	0.4
71.01404	2.5
75.00879	0.7
85.02978	1.2
89.02457	0.7
89.17375	0.5
99.00897	5.9
101.02372	0.7
121.02964	100.0
129.01971	0.9
137.02467	0.6
142.89067	0.5
147.03026	5.8
151.12537	0.5
177.04083	1.2
179.59824	0.5
194.80463	0.5
225.54683	0.5
255.97562	0.5
269.06677	13.9
300.24454	0.6
339.52234	0.6
553.17749	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	553.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89133	0.3
57.03460	0.5
59.01389	2.6
60.99316	0.3
61.98840	2.0
67.01897	2.8
69.03497	0.5
71.01390	3.1
73.26202	0.3
74.24786	0.3
81.03488	0.6
81.32720	0.3
83.05031	0.5
87.77412	0.3
93.03460	25.0
109.02984	0.6
111.04531	4.5
121.02957	34.6
121.45556	0.3
122.03339	0.4
137.02441	7.4
155.03526	5.0
172.05365	1.3
173.04572	100.0
174.04852	0.4
187.07671	8.3
189.05615	0.4
199.04028	0.7
213.09250	0.6
215.07196	1.9
220.72382	0.3
227.03676	0.7
228.04347	1.3
231.10289	0.6
257.08182	5.8
275.09427	0.5
295.08286	26.3
431.13776	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98374	0.4
56.23207	0.3
57.03456	0.5
57.87742	0.5
59.01389	5.0
61.98838	6.3
63.02408	0.9
65.00330	13.1
67.01907	1.9
69.03439	0.4
69.06099	0.3
71.01387	2.3
77.05782	0.4
81.03459	0.4
83.01394	6.2
83.05035	0.5
85.02929	0.8
87.58215	0.4
93.03461	19.1
94.41767	0.4
107.01404	27.5
107.05038	0.7
109.02991	4.2
110.41779	0.4
111.04528	2.0
113.02464	0.6
121.02963	23.8
121.03849	0.8
125.02466	6.1
131.01367	1.7
133.02939	0.4
134.03787	2.3
135.04533	99.2
137.02457	10.3
151.00386	100.0
153.57567	0.4
154.69463	0.4
155.03542	3.1
158.03775	0.5
159.04529	0.6
161.02432	1.7
165.01906	0.9
169.01425	1.7
172.05397	0.6
173.04568	42.8
175.00417	6.2
177.01991	0.5
187.07697	3.3
193.01408	1.5
198.06923	0.5
200.04784	0.5
201.05699	0.7
203.03737	0.4
203.29689	0.5
213.09261	0.5
215.07181	0.8
231.10274	1.0
257.08157	3.0
269.04861	0.5
275.09402	0.6
287.05652	69.7
288.06097	0.6
295.08273	10.9
311.05676	0.5
355.24829	0.6
413.12515	1.0
417.08575	0.9
431.14011	2.2
450.17325	0.4
493.26630	0.6
553.13611	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05784	0.4
55.83485	0.5
56.00665	0.4
57.03464	8.8
58.68402	0.5
59.01400	7.3
61.98839	8.5
62.95449	0.4
63.02417	0.9
65.00332	5.3
67.01905	0.9
69.03486	0.6
71.01400	1.2
79.76926	0.5
81.03461	6.0
83.01392	9.0
85.02961	0.6
85.23084	0.5
87.00868	0.6
87.28770	0.5
89.00241	0.7
89.02478	0.8
93.03461	13.0
97.02944	0.9
98.73754	0.5
101.02437	0.7
101.42784	0.6
107.01387	8.1
108.02178	8.8
108.99310	0.6
109.02975	3.2
111.00866	0.7
119.05035	3.6
121.02959	20.4
122.03258	0.6
123.00898	0.9
123.04543	3.5
124.01667	3.3
125.02451	76.8
131.01366	0.9
131.05077	1.2
133.02948	3.8
134.03749	0.6
135.04530	3.3
137.02458	5.8
139.04044	1.2
145.02975	2.4
145.06615	0.6
147.04532	2.4
149.02457	2.6
151.00389	22.1
152.01181	9.0
153.01971	6.5
156.05841	0.8
157.06569	2.1
158.03786	2.0
159.04532	2.2
161.02458	0.8
163.03996	0.8
165.01952	2.7
165.05551	0.7
167.03522	0.6
169.01389	2.0
172.05296	6.4
173.04561	2.9
173.06079	13.3
175.00362	3.0
175.04089	4.4
175.60123	0.5
176.01190	0.7
177.01967	0.9
177.05560	9.7
178.99873	11.7
181.01468	2.3
187.07735	1.8
191.05580	0.7
197.06082	5.2
198.06895	100.0
199.07605	5.3
200.04871	1.1
201.05611	5.3
203.03542	1.1
211.07712	0.7
215.07179	16.8
219.06688	0.6
241.05042	2.3
242.05875	32.1
243.06638	13.7
245.00844	0.5
257.08020	0.6
259.06140	89.9
260.06412	0.6
269.04611	1.2
271.06165	3.5
271.86365	0.6
283.06177	10.1
287.05673	53.2
287.09006	2.8
288.05975	0.8
301.07236	4.3
331.19095	0.9
355.24973	0.7
431.52429	0.6
509.14606	34.5
510.15201	0.7
525.13965	9.3
553.14117	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	553.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06704	0.2
54.82802	0.3
57.03458	0.6
57.57369	0.2
59.01390	7.5
61.98840	10.1
71.01380	2.9
73.02962	0.5
84.05280	0.3
85.02499	0.3
85.02975	1.6
89.02447	2.3
93.03456	2.9
96.96035	0.4
97.02968	0.5
99.00908	0.5
101.02457	1.7
107.01421	0.4
108.02187	9.1
109.02980	0.6
113.02484	1.1
116.92905	0.4
117.82107	0.3
119.03554	0.6
121.02950	12.7
123.04501	0.3
125.02432	4.2
135.03011	0.3
135.04559	0.7
137.02455	1.8
147.04491	0.4
149.02376	0.4
150.03206	0.7
151.00386	0.6
152.01187	2.7
153.01961	0.7
163.04016	0.4
165.01971	0.5
169.06656	0.4
169.12373	1.7
171.29710	0.3
173.04623	2.5
173.05969	0.5
179.05666	0.5
181.06523	0.5
191.05687	1.3
197.06097	5.8
198.06895	100.0
199.07660	2.8
203.76811	0.3
211.07671	0.5
215.07278	0.5
241.08694	0.5
242.05887	32.3
243.06607	3.3
253.08829	0.4
259.06171	2.8
269.04550	2.5
287.05701	0.4
323.09830	1.6
329.23260	1.0
330.23608	0.5
419.10092	0.6
493.26666	0.5
509.14606	39.0
510.14993	0.5
517.27014	0.6
541.37250	0.4
553.13544	1.3
553.21344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55956	0.5
59.01390	6.0
60.21664	0.6
60.22018	0.7
61.98832	1.6
63.02421	1.4
64.69154	0.6
65.00331	10.0
71.01381	0.8
73.02950	0.7
75.32712	0.5
83.01397	6.8
83.05070	0.8
85.02961	0.6
93.03455	6.8
96.96025	0.9
107.01403	23.4
107.22168	0.5
107.79253	0.8
109.02978	1.2
111.04553	1.1
115.26265	0.7
116.92905	0.7
121.02959	25.2
125.02466	4.0
133.02963	0.8
134.03786	0.9
135.04538	87.8
137.02455	4.8
145.03004	1.1
151.00388	100.0
155.03569	1.1
161.02437	1.4
165.01949	0.9
169.01350	1.4
173.04558	23.8
173.06033	1.4
187.07648	2.6
199.04222	0.7
209.11903	3.2
227.12926	1.2
231.10239	1.0
257.08371	1.2
275.09091	0.8
287.05661	47.0
287.08902	1.5
295.08362	6.2
401.12521	0.9
431.13934	1.4
506.84512	0.7
552.75085	0.7
553.13672	20.0
561.31329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29930	0.5
54.09529	0.4
54.83104	0.5
57.03489	0.5
59.01399	13.0
61.98840	5.2
63.02425	1.2
65.00343	11.5
67.01918	1.0
71.01058	0.6
71.01382	4.2
81.03454	0.7
83.01400	7.1
83.05041	1.0
92.10124	1.3
93.03465	26.5
101.02422	1.1
107.01398	24.9
109.02989	3.0
110.06493	0.6
111.04552	3.1
111.74333	0.6
119.05067	0.7
119.88310	0.6
121.02962	30.0
125.02425	4.2
130.68198	0.7
134.03667	1.1
135.04532	82.1
137.02446	19.3
145.02982	0.9
151.00389	100.0
155.03503	3.4
158.03694	0.9
159.04564	1.4
161.02472	1.2
172.05263	0.7
173.04570	46.9
177.01918	0.8
187.07619	4.4
198.06934	1.1
200.04745	0.8
201.05695	0.6
213.05518	0.9
213.09216	1.5
215.07182	2.5
231.10254	1.4
257.08163	5.3
275.09277	1.0
283.13321	0.7
287.05655	47.9
295.08252	13.3
401.12369	0.9
413.12473	2.4
431.13287	3.1
484.87628	0.7
493.25897	0.9
519.81604	0.7
553.13513	12.8
564.81140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	5.3
61.98840	6.9
65.90240	0.5
68.28829	0.4
78.95908	6.8
92.10744	0.6
92.65342	0.6
95.96269	0.5
163.37157	0.5
168.04337	2.1
168.20374	0.5
224.06946	0.8
224.84439	0.5
242.08102	2.5
249.73427	0.6
261.67703	0.5
274.39514	0.5
275.20084	0.7
277.21762	100.0
278.22025	0.8
367.42722	0.7
383.42682	0.5
395.90271	0.6
489.82373	0.5
502.29480	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.5
60.99318	14.0
61.61440	0.5
68.35025	0.6
69.06425	0.6
71.01374	4.6
73.02957	1.2
74.49909	0.6
81.69175	0.6
85.02973	1.3
87.00941	0.8
87.11179	0.6
88.98820	65.0
89.02477	1.6
93.03476	1.5
99.00874	0.8
101.02432	3.2
102.66676	0.6
107.01421	2.4
108.02178	1.1
109.02974	2.8
113.02463	1.3
121.02969	3.0
135.00877	0.7
135.04454	0.7
139.11307	0.7
148.01654	1.0
151.00374	11.4
153.01930	0.6
161.04485	0.9
163.00363	3.5
164.01128	1.3
177.04082	1.0
178.99863	5.8
191.05637	3.5
199.03996	1.0
226.02852	1.5
227.03543	2.9
243.03027	9.3
254.02257	1.1
255.03024	26.4
271.02524	55.5
272.03275	2.7
273.03787	0.8
283.02289	1.0
299.02039	1.0
300.02802	100.0
301.03561	35.8
301.06204	0.7
418.93921	0.8
463.08936	92.9
464.09253	2.5
493.23090	3.6
553.17310	1.2
553.28925	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	552.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.7
60.01720	0.6
61.98837	100.0
64.21742	0.1
71.01391	0.7
71.07175	0.1
88.67519	0.1
93.03476	0.3
101.02438	0.2
101.22710	0.1
102.77425	0.1
108.02178	1.8
121.02961	4.1
122.03275	1.5
123.03555	0.3
134.06119	0.3
134.72414	0.1
135.04520	0.8
136.04865	0.3
137.02466	0.1
167.61855	0.1
173.04623	0.2
177.04091	0.2
191.05611	0.2
198.06873	0.8
231.03110	0.1
234.23094	0.1
260.07202	0.1
276.95908	0.1
329.23419	0.6
330.23804	0.3
402.11313	0.2
468.21841	0.2
509.14432	0.2
552.22406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31150	0.5
59.01393	2.8
61.98839	26.9
62.52895	0.5
63.99268	2.6
69.05939	0.5
78.95907	30.5
86.13152	0.6
93.97088	0.5
136.74348	0.6
152.99641	4.7
168.04352	4.7
195.05528	0.6
220.87216	0.7
224.06969	9.7
230.04843	0.6
233.22739	0.7
242.08043	2.3
253.21791	6.5
277.21765	100.0
278.22037	1.0
478.29309	0.8
502.29520	72.5
503.29868	1.1
571.83527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66715	0.5
59.01391	12.0
59.08974	0.5
61.98839	100.0
71.01397	4.7
72.99310	1.5
73.02966	1.6
74.30248	0.6
75.00882	42.9
76.01235	1.5
80.91680	1.2
83.01431	0.7
85.02979	2.7
87.00896	0.8
89.02458	1.4
89.38520	0.6
93.03490	2.8
96.96017	2.6
101.02428	4.6
102.56596	0.7
108.02199	1.0
109.03036	0.8
109.18321	0.6
113.02490	0.8
116.92806	0.8
117.03480	1.0
119.05042	1.1
121.02968	4.0
135.03012	0.9
135.04459	1.1
142.78844	0.7
145.02969	0.8
150.38770	0.7
151.00410	1.4
152.01208	1.4
153.01970	0.8
155.16632	0.7
161.04564	0.8
163.00249	0.8
163.04005	0.8
165.12952	0.7
173.04614	1.5
177.04131	0.8
183.04509	0.7
183.13904	4.3
184.14244	1.3
189.46187	0.7
191.05635	5.1
192.79637	0.7
211.04050	2.6
227.03552	69.0
227.12907	2.9
228.04062	0.8
229.05142	1.4
234.69781	0.6
255.03026	84.3
256.03723	8.2
257.78787	0.7
284.03308	76.0
285.04053	19.4
420.27258	0.7
435.26117	3.3
436.26517	2.5
489.10486	97.7
490.10907	0.9
518.53448	0.8
551.30975	14.1
552.31281	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	551.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01406	1.4
61.98848	1.3
92.66317	1.1
224.64749	1.1
254.45975	1.1
261.67355	1.0
390.20065	1.3
410.48166	1.1
433.72021	1.2
469.33307	100.0
470.33661	2.1
551.33600	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.6
59.01656	0.8
61.98841	0.4
71.01385	1.9
73.02960	0.8
75.80293	0.5
76.58257	0.4
84.20380	0.4
85.02989	0.6
85.97346	0.5
87.00956	0.5
87.21503	0.4
89.02453	2.0
92.79826	0.4
101.02447	2.7
113.02461	0.8
119.03529	0.5
142.25453	0.4
169.93381	0.5
180.32207	0.5
195.38602	0.4
206.71278	0.5
235.08195	0.7
235.93599	0.5
253.09358	8.9
255.23337	100.0
256.23825	0.7
375.07159	0.5
440.05505	0.6
469.33234	4.3
551.33850	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66551	0.4
54.07116	0.4
58.50564	0.5
59.01388	0.9
61.98850	0.6
66.78746	0.5
148.81224	0.6
202.43652	0.6
241.57286	0.6
311.55890	0.6
393.31592	0.8
469.33313	100.0
470.33884	2.1
481.63318	0.7
546.77240	0.6
551.33691	49.9
552.34570	0.8
558.41168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93893	0.4
56.43352	0.5
59.01413	0.5
64.07163	0.6
65.82524	0.5
73.61359	0.6
75.29546	0.6
84.85979	0.7
85.90408	0.5
88.73140	0.6
88.87762	0.5
126.75987	0.6
199.17020	1.0
204.02785	0.6
423.32690	1.0
469.33292	100.0
470.33536	0.8
509.56522	0.7
551.33661	49.5
552.34680	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3157
Annotation	Dihydronortoxiferine I
Peak:m/z	Relative Intensity
50.48364	2.2
54.83202	2.4
59.01401	11.0
61.98835	100.0
70.18641	2.1
75.39334	2.4
86.46481	2.5
98.70417	2.8
101.38826	2.6
130.81760	2.3
160.96187	2.4
191.05487	3.1
195.43301	2.6
386.64914	3.1
469.33450	4.1
515.43866	3.3
536.77802	3.0
551.31555	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16049	1.4
53.99368	1.6
59.01395	8.2
61.98835	21.2
73.85123	1.8
76.57551	2.1
100.61629	2.1
132.04262	2.5
158.02074	2.1
218.32034	2.4
265.54462	2.4
284.88980	2.5
401.45013	2.1
425.34280	3.5
469.33304	100.0
551.33612	64.5
551.41699	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	20.3
61.98840	100.0
63.36867	7.7
76.50520	9.4
76.89505	7.9
83.26114	8.7
93.31243	8.6
113.48872	9.5
118.31575	9.7
171.80061	11.1
238.64612	11.7
252.24294	10.5
273.22610	10.2
402.50006	10.1
469.32938	11.8
545.53522	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	551.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78857	0.5
53.68960	0.4
59.01387	100.0
61.98830	1.3
66.34856	0.5
67.43002	0.5
71.01406	0.9
78.33686	0.6
82.95431	1.3
93.03441	1.9
93.35764	0.5
101.02425	0.7
103.23164	0.5
121.02965	65.7
135.04532	2.7
153.09238	0.7
171.20601	0.5
173.04637	1.2
185.06024	0.6
194.78630	0.6
197.06076	0.9
213.05585	4.5
225.14973	0.8
230.56310	0.5
241.05075	5.9
278.18289	0.5
353.19254	0.6
353.23334	3.1
376.45462	0.6
400.76736	0.5
491.22672	0.7
551.11902	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23266	0.2
53.53744	0.2
55.01881	1.4
57.03460	0.4
58.00596	0.4
59.01387	100.0
59.28356	0.2
61.98841	2.0
69.03465	0.3
71.01385	18.2
72.99311	0.4
73.02953	4.8
80.62961	0.3
83.01390	2.4
85.02955	7.5
87.00890	1.5
88.98820	0.3
89.02445	15.1
93.03457	1.2
95.01401	1.3
95.60069	0.2
96.96016	1.1
97.03007	0.6
99.00877	1.7
101.02443	12.0
110.43594	0.2
113.02452	7.0
116.92842	0.3
119.03503	5.5
119.04952	0.4
121.02959	20.7
122.03297	0.5
125.02445	1.3
126.18017	0.3
131.03505	1.1
135.04529	4.0
137.02519	0.4
143.03503	1.1
145.02985	1.0
159.03008	0.6
161.04565	5.0
163.03990	0.5
173.04524	0.6
179.05630	7.4
191.05685	0.4
213.05615	1.5
221.06699	2.8
241.05093	1.1
329.19882	0.3
352.19281	0.3
353.23328	1.9
471.86038	0.3
491.25076	20.1
520.58350	0.3
551.12146	0.5
551.24597	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49211	0.1
58.76714	0.2
59.01389	12.6
61.98839	4.5
71.01392	1.8
72.99304	0.2
73.02953	0.2
83.01385	0.3
85.02959	0.9
87.57634	0.2
87.71885	0.2
89.02466	0.3
93.03455	0.9
99.00874	0.3
101.02446	0.4
109.02937	0.3
113.02483	0.2
117.03487	0.2
119.05029	0.3
121.02961	100.0
122.03310	1.8
123.03474	0.2
126.54395	0.2
131.04762	0.2
135.04523	3.2
137.02444	0.4
145.02974	0.9
151.00397	0.3
161.04506	0.2
161.62180	0.2
163.04041	0.7
173.04575	0.8
183.04497	0.3
191.05595	0.3
211.03978	0.3
225.14946	0.8
227.03537	13.6
228.03954	0.2
229.04979	0.2
255.03023	15.3
256.03534	1.3
284.03311	9.9
285.04062	2.7
353.23486	0.2
369.19229	2.1
491.22986	3.9
551.12103	10.3
551.24603	0.8
551.32013	0.3
552.11957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25938	0.6
57.03460	0.8
59.01392	68.5
61.98837	5.7
69.03498	0.6
71.01074	0.6
71.01385	5.7
73.02969	3.2
82.76781	0.6
82.95510	0.5
83.01440	0.8
83.15599	0.6
85.02981	3.4
87.00947	0.8
87.04523	0.7
88.98852	0.7
89.02485	1.3
92.10136	2.2
93.03494	2.9
95.01384	0.7
96.96033	1.4
99.00874	0.9
101.02473	3.3
108.02203	4.8
109.02972	3.5
113.02477	2.5
117.92889	0.8
119.03524	0.9
119.05063	1.3
121.02963	100.0
122.03335	3.0
123.00871	0.6
135.04541	6.4
137.02478	1.1
145.02917	1.0
152.01176	4.5
153.01978	1.1
158.21773	0.7
163.04045	2.3
173.04572	2.6
188.62122	0.6
191.05638	3.0
255.16127	1.1
278.82495	0.7
298.89630	0.6
329.23395	7.3
348.20596	0.7
353.23483	1.1
421.83035	0.7
491.24515	4.0
491.32379	0.8
506.08218	0.7
507.29950	0.8
515.28796	0.8
538.43512	0.7
551.21930	2.9
551.31317	0.8
570.79224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93807	1.2
52.30471	1.0
57.03463	8.0
59.01388	62.6
59.64834	1.3
61.98856	2.7
69.03458	1.7
71.01387	43.8
72.33500	1.1
72.99329	6.0
73.02962	7.0
75.00879	23.6
78.00022	1.2
79.16261	1.3
83.01399	1.5
85.02969	13.6
87.00904	8.9
88.98840	1.7
89.02447	58.2
89.57364	1.2
92.09955	1.9
93.03468	9.1
96.96030	6.4
97.02951	4.9
99.00909	8.5
101.02448	26.9
108.02184	6.2
109.03014	2.7
109.34132	1.3
111.08169	2.6
113.02451	15.1
115.04064	1.4
116.92897	1.3
117.40489	1.4
119.03507	13.2
119.05029	1.9
121.02956	32.2
125.02431	2.4
127.03920	1.3
129.01945	7.2
131.03523	5.7
135.04579	1.5
137.02484	6.6
143.03584	3.2
145.05058	1.8
149.04567	6.2
149.65057	1.3
152.01184	3.2
153.01958	2.0
153.12886	8.8
154.19569	1.2
161.02365	1.7
163.04124	1.5
163.06157	11.2
165.12872	47.9
165.94504	1.3
171.10258	2.0
173.04575	5.9
177.04065	17.3
179.05647	7.1
179.10840	2.5
183.13922	100.0
191.05626	7.7
195.05136	2.1
197.11867	6.4
197.15578	2.0
198.96814	1.4
207.13974	9.6
209.11946	5.7
217.14520	2.1
227.10704	3.0
227.12956	79.0
251.12962	16.9
269.14059	2.5
293.08981	2.6
295.08383	2.3
297.92148	1.4
299.15045	7.4
329.16074	19.2
341.10886	14.7
373.26102	17.2
389.13550	2.6
389.18262	41.6
412.65942	1.6
435.25986	6.5
533.22662	2.3
551.23425	64.3
551.31042	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	551.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63749	0.9
55.01900	1.2
57.03465	1.4
58.00602	1.2
59.01389	81.7
61.98850	1.7
69.03474	4.8
69.59203	1.1
71.01387	43.6
71.01772	1.8
72.80055	1.1
72.99297	4.1
73.02962	8.0
75.00903	4.4
79.64188	1.0
81.03480	2.2
82.95383	1.0
83.01418	2.8
85.02951	13.2
85.03378	1.0
87.00910	5.8
87.04483	1.1
88.98825	5.8
89.02447	51.0
93.03485	4.5
95.01424	2.5
95.10017	1.1
96.96017	12.4
97.02972	6.9
99.00893	2.5
99.04564	1.6
101.02446	31.2
108.02177	2.7
108.96611	1.2
109.02989	4.9
113.02467	16.7
119.03510	19.7
119.05014	2.0
121.02959	100.0
122.03329	2.7
125.02456	15.6
131.03534	2.1
135.02989	1.5
135.04536	8.3
137.02420	1.3
139.03972	1.4
143.03513	6.3
149.04570	1.8
152.01187	5.3
161.04552	8.2
163.04053	4.1
163.06148	2.6
167.10783	35.7
167.12077	1.8
173.04529	6.3
177.04117	2.2
179.05635	19.4
191.05594	2.5
206.45354	1.1
221.06757	10.2
262.50504	1.2
263.07706	1.8
323.09933	30.2
378.33081	1.2
388.02350	1.3
429.14139	1.6
525.25983	1.5
551.31512	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	551.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.6
56.95715	0.7
57.03454	2.8
58.00617	1.0
59.01387	100.0
60.60241	0.6
61.98859	0.6
66.44621	0.7
69.03461	4.8
71.01382	57.8
72.82949	0.6
72.99318	2.7
73.02946	10.5
75.00872	0.9
81.03474	1.6
83.01389	5.6
85.02955	15.6
87.00873	5.5
88.98820	2.5
89.02443	59.5
92.10795	1.5
93.03479	1.3
95.01390	4.0
96.96014	19.4
96.96973	1.2
97.02954	6.1
99.00874	1.7
99.04549	1.1
101.02442	38.6
107.87624	0.6
108.02180	0.8
109.02967	0.9
111.00887	0.7
113.02461	23.1
117.01942	0.8
119.02064	0.7
119.03506	24.2
121.02966	10.5
125.02444	21.0
131.03476	5.4
135.04556	1.2
137.02457	0.7
139.04033	1.4
143.03531	6.3
149.04587	1.6
152.01128	0.8
161.04578	10.0
165.08070	0.7
167.03529	0.8
167.10782	44.8
173.04591	2.6
179.05627	25.7
183.08975	0.7
191.83202	0.7
221.06700	15.5
245.06671	0.7
263.07797	3.6
323.09906	39.6
353.23471	1.0
533.31567	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
58.02985	12.4
59.01384	11.0
64.38381	0.5
65.54128	0.6
70.02983	8.5
71.01386	5.4
72.00921	3.3
72.04562	2.6
72.99297	0.8
73.02966	3.1
74.02473	53.7
75.00869	4.9
85.02956	3.6
87.00890	1.3
88.50970	0.5
88.74437	0.5
89.02446	2.5
91.31834	0.5
93.03461	7.9
98.02473	14.8
101.02448	3.0
105.01949	5.6
109.02994	0.6
113.02440	0.8
115.00376	1.0
116.03548	16.9
116.05060	24.3
116.92845	0.9
119.05019	5.7
121.02959	7.6
129.01888	0.5
130.06619	2.2
134.03732	3.1
135.03000	10.6
137.02432	2.1
142.06638	4.9
145.02946	1.2
149.06073	1.1
155.03448	0.5
155.10843	0.6
159.09302	6.0
161.04672	0.6
162.03265	2.3
163.04042	4.0
165.00246	0.7
173.04558	3.4
177.04044	0.8
177.05533	0.8
178.02734	0.6
183.09273	0.6
186.05685	1.1
191.05646	11.4
193.05051	2.9
195.08160	0.8
197.09729	1.1
201.10335	5.1
203.08298	63.8
211.07614	0.7
222.59033	0.6
223.07726	1.8
239.10779	1.1
241.08722	0.7
245.09338	100.0
283.09839	0.9
301.10764	0.5
327.08859	2.1
359.15524	0.9
433.11105	0.9
445.11801	0.9
485.72513	0.6
491.21335	1.3
551.13782	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	551.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58767	0.2
57.03459	2.5
59.01390	18.8
61.98843	1.1
69.03464	1.0
71.01381	3.8
72.99285	0.3
73.02953	1.6
75.00880	2.5
76.51219	0.2
81.03461	0.3
83.01385	0.3
85.02950	3.7
87.00883	0.6
87.04537	0.5
88.98786	0.5
89.02453	2.3
93.03463	2.7
96.96013	0.4
97.02971	0.6
97.06593	0.2
99.00893	1.0
99.04527	1.6
101.02447	2.7
103.00378	0.3
108.02190	1.3
109.03004	0.4
113.02450	1.5
114.38504	0.3
116.92817	0.4
119.03461	0.4
119.05054	0.6
121.02952	100.0
122.03323	0.4
123.08101	0.3
123.60618	0.2
125.02458	1.1
125.09694	0.2
129.01874	0.4
131.03516	0.2
135.04512	4.4
137.02455	2.3
143.03419	0.3
145.05060	1.1
152.01180	0.5
153.01965	0.4
163.03998	0.6
163.06129	1.1
171.10278	0.5
173.04628	0.4
177.01950	0.3
177.04033	2.3
179.03473	0.4
179.10829	1.8
189.07446	0.3
190.69102	0.2
191.05605	1.2
205.07161	0.5
211.13350	0.3
223.09760	2.6
227.12796	0.3
229.14450	0.3
240.81482	0.3
253.97897	0.3
255.12469	0.5
307.10324	1.3
327.21777	2.2
328.22171	1.6
329.22653	1.4
353.23495	0.5
371.99677	0.2
373.26010	1.6
405.67450	0.3
412.67191	0.3
429.14075	2.5
459.18860	3.0
515.29156	0.4
551.22247	0.9
551.31061	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	551.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.8
59.01394	18.7
61.98838	1.2
67.01909	0.3
69.03465	0.4
69.81382	0.2
71.01405	4.2
72.99332	0.5
73.02951	1.1
75.00892	2.7
77.06214	0.3
81.03483	0.3
82.86420	0.3
82.95415	0.3
83.01377	0.4
85.02967	3.5
87.00883	0.4
88.98824	0.7
89.02464	2.4
93.03474	2.5
94.85516	0.3
96.38831	0.3
96.96010	0.5
97.02960	1.0
97.32121	0.2
99.00905	0.6
99.04550	0.7
100.45996	0.3
101.02457	3.5
108.02200	1.7
109.02941	0.4
113.02456	1.2
115.97256	0.3
119.03514	0.4
119.05034	1.2
121.02963	100.0
122.03331	0.6
125.02450	1.4
129.01942	0.4
135.04535	4.8
137.02446	2.5
137.09729	0.3
145.05115	0.5
152.01126	0.6
153.01900	0.3
161.04662	0.4
163.04025	1.4
163.06166	1.3
171.10289	1.2
173.04533	1.2
177.01854	0.3
177.04100	2.0
179.10788	1.9
183.13889	0.5
185.11948	0.5
191.05649	0.5
197.11826	0.3
205.05421	0.3
205.07216	1.9
211.13458	0.4
215.12991	0.3
223.09750	2.4
255.12337	0.6
278.50153	0.3
307.10437	0.4
327.21747	2.2
328.22144	1.7
329.22519	1.5
349.52106	0.3
350.28366	0.3
353.23410	0.6
373.26001	1.7
429.14038	2.8
459.18753	2.8
491.28491	0.6
515.28650	1.2
533.32568	0.4
550.29541	0.3
551.22424	0.7
551.30450	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	551.1204
Annotation	Luteolin 7-(6''-p-benzoyglucoside)
Peak:m/z	Relative Intensity
57.05566	0.2
59.01389	1.1
61.98834	0.3
63.02420	0.2
65.00339	0.4
88.50602	0.2
93.03477	1.0
93.25947	0.2
107.01424	1.0
108.02215	0.3
109.02993	0.3
110.61095	0.2
117.03480	0.3
121.02952	5.6
125.02481	0.4
135.00870	0.6
135.04475	0.2
139.21654	0.2
145.02995	0.3
151.00403	1.6
152.01230	0.3
159.04559	0.4
163.00438	0.5
163.04097	0.4
171.04489	0.3
173.04602	0.9
173.06029	0.3
175.04007	0.3
182.03772	0.3
183.04559	2.9
185.06201	0.5
187.04053	0.4
199.03940	0.3
211.04001	3.0
213.05565	0.3
227.03534	86.5
228.04039	1.7
229.05070	1.7
239.03534	0.9
255.03021	100.0
256.03760	6.9
257.04587	1.2
268.03580	0.3
284.03302	48.2
285.04080	17.5
327.05197	0.4
379.99554	0.3
389.18433	0.3
429.08621	0.3
441.86340	0.3
548.62836	0.3
551.12073	56.5
552.12158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29761	0.5
57.52742	0.5
59.01390	2.8
61.98837	100.0
68.87283	0.5
71.75130	0.6
94.06488	0.5
132.52728	0.6
144.18294	0.6
258.63345	0.6
300.32263	0.6
527.35291	0.7
550.32422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.5
59.91188	0.6
61.98838	100.0
79.77269	0.7
111.26489	0.8
228.79346	0.8
241.71396	0.9
304.01349	1.0
315.90567	0.9
462.46439	0.9
487.34619	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	550.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50969	0.6
55.22193	0.6
59.01399	0.8
61.98842	100.0
63.88259	0.8
73.15778	0.7
75.67782	0.7
96.96022	3.5
113.80973	0.9
136.51091	0.8
153.78354	0.8
220.59236	0.8
255.23170	1.3
292.70642	0.8
349.45499	0.9
469.94104	0.9
487.34293	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	550.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06142	0.6
61.98836	100.0
70.01115	0.6
88.64202	0.6
100.05273	0.6
105.07849	0.7
192.16971	0.7
217.38840	0.7
320.06866	0.7
487.34689	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	550.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67036	0.2
54.82848	0.2
60.56270	0.2
61.98838	100.0
91.30521	0.2
92.65710	0.2
98.02508	0.2
104.60531	0.2
104.80147	0.2
107.22166	0.2
164.05939	0.2
190.98062	0.2
210.97957	0.2
488.34637	1.6
489.35147	0.5
490.35266	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	550.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80911	0.1
56.50709	0.1
56.93073	0.1
59.01392	0.9
61.98836	100.0
77.48402	0.1
92.10778	0.5
92.65759	0.1
93.27831	0.2
110.25234	0.2
110.28191	0.1
110.58224	0.2
115.73659	0.1
131.84477	0.2
146.03743	0.2
247.97490	0.2
271.16306	0.2
354.54407	0.2
365.09558	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
61.98839	100.0
75.79297	0.3
84.79135	0.2
91.80421	0.3
138.94627	0.3
195.85025	0.3
262.05560	0.3
297.57285	0.3
323.23111	0.3
386.16946	0.3
488.34769	2.6
489.34995	0.5
490.35342	1.3
514.28888	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79630	0.1
61.98837	100.0
63.75398	0.1
70.51273	0.1
78.26395	0.1
106.63000	0.2
169.90642	0.2
172.80380	0.2
226.68495	0.2
274.26166	0.1
476.75574	0.2
488.34760	2.2
489.35077	0.8
490.35452	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	550.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91478	0.2
56.24945	0.1
59.01388	0.3
61.98837	100.0
62.48347	0.1
92.10811	0.4
110.85926	0.2
138.08371	0.2
178.87256	0.2
179.36284	0.2
265.63531	0.2
292.52600	0.2
372.16568	0.2
382.11966	0.2
393.34061	0.2
488.34656	1.8
489.35120	0.7
490.35416	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	549.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56145	1.0
59.01388	100.0
61.98839	37.8
62.13929	1.0
64.60263	1.2
75.00886	1.2
87.34042	1.1
155.43448	1.3
166.25578	1.2
181.67981	1.1
227.37289	1.2
244.32338	1.3
469.32941	2.6
489.35141	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	549.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
59.61146	0.8
61.64655	0.8
61.98835	15.5
68.20049	0.8
92.28605	1.0
98.08311	0.9
111.56192	1.1
117.63912	1.1
172.45459	1.0
199.41266	1.0
205.53430	1.1
205.55258	1.0
313.08615	1.1
471.34753	1.3
489.35855	5.3
503.76266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.5
58.02985	18.9
58.79575	0.4
59.01393	2.3
60.31575	0.5
70.02972	6.1
71.01390	1.1
72.00909	4.0
73.62928	0.4
85.02977	1.1
89.02469	0.6
91.05531	7.0
93.03461	0.8
97.94913	0.5
101.02453	1.0
105.19379	0.5
120.82922	0.5
134.03740	1.2
137.02509	0.7
147.04536	29.4
160.01660	2.4
161.02078	0.5
164.07190	84.9
166.86540	0.6
175.03967	1.8
176.04303	0.6
185.27812	0.5
191.05673	2.5
206.08255	100.0
490.16293	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3084
Annotation	4,5-Dihydroxykleinifulgin
Peak:m/z	Relative Intensity
54.95734	0.4
57.03458	2.2
59.01390	12.3
60.99318	1.0
67.46307	0.4
68.17914	0.3
69.60422	0.4
71.01384	11.4
71.57010	0.4
72.99310	2.2
73.02948	2.0
75.00874	13.3
77.51657	0.4
82.95396	0.4
83.01395	0.8
83.05018	1.0
84.95142	0.8
85.02972	5.1
86.62353	0.4
87.00862	3.2
89.02444	4.6
93.03451	2.0
95.01430	0.5
96.96018	4.2
97.02993	0.4
97.06583	0.6
98.95597	3.3
98.96426	0.4
99.00886	0.8
99.92587	1.0
101.02453	3.6
101.06107	0.8
109.06593	0.8
111.00897	0.6
113.02448	2.7
115.00388	2.1
115.07635	0.7
115.92093	2.0
116.92876	1.8
119.03490	1.5
119.05027	1.8
119.08680	1.0
121.02970	2.2
121.06587	0.5
123.08126	0.8
129.01933	2.3
131.03674	0.5
134.03697	0.5
135.03036	0.6
135.04509	1.7
135.11800	0.7
137.02457	0.9
159.08075	0.4
161.04588	0.5
161.09711	2.1
165.04137	0.7
173.04575	1.0
175.03891	0.6
177.01869	0.8
177.04034	6.1
179.10797	3.9
181.07205	1.6
185.09930	0.4
186.58810	0.4
190.05096	1.0
191.05672	4.5
195.05159	0.6
203.10939	0.5
219.14163	0.5
242.97588	2.1
255.02957	0.9
255.13878	0.4
255.17595	0.9
256.99167	2.1
257.15442	0.6
271.00354	0.7
271.03006	0.5
273.18643	0.6
284.98825	0.5
285.99475	0.7
300.02838	2.0
301.03317	0.7
315.03207	0.5
319.20834	2.4
335.23953	5.1
353.25098	0.8
359.02371	1.7
361.25439	2.1
365.25168	0.5
377.28601	0.7
387.23926	0.8
389.18030	0.7
391.26495	1.1
396.99481	0.4
401.14630	0.9
407.29636	4.4
411.28973	0.8
425.30841	0.7
468.79922	0.5
469.05850	0.5
469.29398	3.0
473.29404	4.3
487.07104	3.2
488.27698	0.5
489.23276	0.8
505.10056	1.9
517.18512	0.5
531.17322	0.7
531.29877	4.8
549.18701	5.6
549.21735	5.2
549.30817	100.0
550.31415	1.9
577.58875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95734	0.4
57.03458	2.2
59.01390	12.3
60.99318	1.0
67.46307	0.4
68.17914	0.3
69.60422	0.4
71.01384	11.4
71.57010	0.4
72.99310	2.2
73.02948	2.0
75.00874	13.3
77.51657	0.4
82.95396	0.4
83.01395	0.8
83.05018	1.0
84.95142	0.8
85.02972	5.1
86.62353	0.4
87.00862	3.2
89.02444	4.6
93.03451	2.0
95.01430	0.5
96.96018	4.2
97.02993	0.4
97.06583	0.6
98.95597	3.3
98.96426	0.4
99.00886	0.8
99.92587	1.0
101.02453	3.6
101.06107	0.8
109.06593	0.8
111.00897	0.6
113.02448	2.7
115.00388	2.1
115.07635	0.7
115.92093	2.0
116.92876	1.8
119.03490	1.5
119.05027	1.8
119.08680	1.0
121.02970	2.2
121.06587	0.5
123.08126	0.8
129.01933	2.3
131.03674	0.5
134.03697	0.5
135.03036	0.6
135.04509	1.7
135.11800	0.7
137.02457	0.9
159.08075	0.4
161.04588	0.5
161.09711	2.1
165.04137	0.7
173.04575	1.0
175.03891	0.6
177.01869	0.8
177.04034	6.1
179.10797	3.9
181.07205	1.6
185.09930	0.4
186.58810	0.4
190.05096	1.0
191.05672	4.5
195.05159	0.6
203.10939	0.5
219.14163	0.5
242.97588	2.1
255.02957	0.9
255.13878	0.4
255.17595	0.9
256.99167	2.1
257.15442	0.6
271.00354	0.7
271.03006	0.5
273.18643	0.6
284.98825	0.5
285.99475	0.7
300.02838	2.0
301.03317	0.7
315.03207	0.5
319.20834	2.4
335.23953	5.1
353.25098	0.8
359.02371	1.7
361.25439	2.1
365.25168	0.5
377.28601	0.7
387.23926	0.8
389.18030	0.7
391.26495	1.1
396.99481	0.4
401.14630	0.9
407.29636	4.4
411.28973	0.8
425.30841	0.7
468.79922	0.5
469.05850	0.5
469.29398	3.0
473.29404	4.3
487.07104	3.2
488.27698	0.5
489.23276	0.8
505.10056	1.9
517.18512	0.5
531.17322	0.7
531.29877	4.8
549.18701	5.6
549.21735	5.2
549.30817	100.0
550.31415	1.9
577.58875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26187	33.0
55.61029	31.7
57.83876	35.5
59.01387	62.1
60.17358	36.2
63.83371	34.7
68.01760	38.2
71.76631	43.9
72.49359	43.6
73.48987	44.4
76.71188	38.3
93.69949	41.4
104.24407	36.6
115.53022	42.8
141.07799	44.4
153.33455	51.0
187.19885	38.5
191.36705	43.1
277.21692	100.0
296.99844	45.7
495.60800	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.8
57.03450	1.6
58.00592	2.8
59.01389	100.0
63.13375	0.7
71.01385	55.5
72.99317	3.3
73.02952	6.0
75.00854	1.2
83.01382	5.0
85.02955	12.5
87.00888	3.6
89.02450	51.8
93.03477	1.3
95.01395	4.4
99.00880	1.5
101.02444	30.7
106.95531	0.7
111.17115	0.7
113.02467	20.8
119.03502	20.5
121.02990	0.8
137.02464	3.4
137.09717	0.9
143.03513	4.2
143.07158	0.9
149.04552	1.0
159.02905	0.8
161.04565	5.2
179.05595	7.8
191.05698	2.7
289.39447	0.8
387.20242	4.9
489.19946	1.0
549.17267	2.8
549.25653	45.9
550.25610	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.3
59.01387	29.4
71.01381	3.8
72.99335	0.2
73.02952	0.4
85.02979	1.0
89.02447	1.3
93.03464	1.4
95.69379	0.2
101.02451	1.2
107.04980	0.2
113.02477	2.5
117.66245	0.2
119.03499	1.0
119.05035	1.3
121.02959	100.0
122.03247	0.2
123.08142	0.4
125.09652	0.2
135.04535	36.0
153.09247	3.2
157.33690	0.2
161.04567	1.4
163.04019	5.9
187.11261	0.5
191.05621	0.2
193.05083	0.4
205.12350	2.5
211.07814	0.3
223.06023	1.9
223.07970	0.4
223.13405	0.4
232.96901	0.2
239.05614	0.3
283.08170	0.4
301.10284	0.2
302.66183	0.2
327.08841	3.6
367.17761	0.3
478.38208	0.2
489.21365	2.0
532.20471	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79335	4.8
55.75330	4.3
57.37624	4.1
59.01392	100.0
61.98841	34.0
71.01389	21.4
71.52406	4.6
76.70834	5.5
83.42358	4.9
85.02916	5.5
89.02424	38.5
90.07910	4.7
92.10044	9.3
92.60510	5.3
93.03477	11.2
99.00862	5.7
121.02989	38.5
127.95638	5.6
137.02460	7.6
149.04576	27.6
170.53139	6.9
191.05629	6.8
229.62248	5.8
305.28207	5.9
308.03082	6.1
346.12961	7.0
469.29565	10.8
470.30042	11.0
513.27325	9.6
517.31921	10.4
549.24756	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85035	3.8
54.13472	4.4
57.03467	4.6
59.01380	100.0
61.98842	25.6
71.01382	11.5
89.02463	26.8
93.03480	7.4
99.00938	6.1
121.02952	42.0
125.13190	5.3
127.59381	5.1
129.61443	5.1
137.02487	21.7
147.27371	5.1
149.04556	5.8
158.08490	5.1
186.92220	5.0
232.89700	5.3
280.65820	5.7
439.03348	5.3
469.30109	17.2
517.31653	22.4
518.32074	6.3
549.24652	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	549.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86325	0.9
57.03452	4.6
59.01390	50.3
60.25436	1.0
61.98838	13.0
63.69270	1.0
67.01903	2.2
68.07243	1.1
71.01388	8.0
81.44862	1.1
85.02959	1.2
89.02444	2.7
93.03450	22.5
99.04558	1.7
100.71394	1.1
101.02450	2.5
108.02183	2.3
109.02930	1.4
111.04539	5.0
112.58512	1.2
113.02446	1.2
119.03619	1.1
119.05018	2.1
121.02948	100.0
125.02473	2.2
135.04523	37.6
137.02452	7.0
152.01151	2.1
155.03497	2.1
163.04042	4.5
173.04558	63.4
183.13857	2.7
191.05588	1.5
195.13928	2.6
205.12367	2.1
213.14938	12.2
223.06026	2.0
243.06633	2.2
327.08591	1.5
387.20355	23.7
489.21402	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	549.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
55.15619	0.2
57.03455	0.6
59.01390	22.5
61.98834	1.0
71.01388	4.3
73.02950	0.3
85.02979	1.1
89.02455	1.4
93.03444	0.5
101.02459	1.6
113.02477	2.1
115.01057	0.3
115.92079	1.1
116.92874	0.3
119.03512	0.5
119.05006	0.3
121.02966	100.0
123.08185	0.3
133.02982	0.4
135.04541	33.3
137.02420	0.3
147.04617	0.3
151.00218	0.3
153.09270	2.7
160.01711	0.6
161.04596	1.0
163.04021	3.7
165.09204	0.3
173.04588	0.6
175.04008	0.3
179.10770	0.4
185.59261	0.3
187.11374	0.5
193.05069	0.4
205.12437	2.1
223.06129	1.1
283.08450	0.3
327.08569	0.3
367.17661	1.2
402.52786	0.3
403.68188	0.3
473.28183	0.3
489.21536	5.6
531.93042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71782	0.3
53.19738	0.2
54.56974	0.2
57.25240	0.3
58.16910	0.3
59.01389	100.0
61.98841	0.8
65.51546	0.3
68.62235	0.3
69.67163	0.3
71.01398	2.8
73.02953	0.4
75.00879	0.4
83.05032	4.8
85.02953	1.4
88.98855	0.4
89.02454	0.8
92.10135	0.6
93.03421	0.3
96.96041	0.3
101.02431	1.3
113.02478	2.7
119.03500	0.5
119.05044	0.4
121.02962	53.6
130.04080	0.3
135.04536	35.2
137.02438	0.7
161.04581	2.1
163.04036	6.3
173.04532	0.4
193.05151	0.5
205.12431	1.3
211.06129	0.4
217.05051	0.3
223.06146	4.3
239.05408	0.3
283.08218	1.5
299.40225	0.3
327.21832	0.4
451.89029	0.3
549.23010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78253	0.7
57.03471	3.8
58.37655	0.6
59.01397	52.4
61.98845	7.4
65.78282	0.8
69.03475	0.8
71.01384	6.7
73.02982	0.8
83.81544	0.7
85.02993	0.9
87.00907	1.4
87.81532	0.7
88.98854	1.2
89.02483	1.3
92.46010	0.7
93.03452	5.3
95.46906	0.7
97.02987	0.8
99.04523	0.9
101.02449	1.5
108.02208	3.4
109.02946	1.1
113.02496	0.9
119.05006	1.3
121.02962	100.0
121.06615	1.5
125.02477	1.7
131.03523	0.9
135.00932	1.2
135.04530	32.3
135.05499	1.5
137.02463	3.5
137.09776	0.9
147.08183	2.9
152.01147	4.1
155.10815	1.5
160.08971	1.2
161.09724	0.9
163.04068	3.2
163.11308	38.0
169.00352	0.7
173.04539	7.8
175.11307	19.4
177.12889	1.1
187.11349	8.9
190.09969	1.0
191.05553	1.0
205.12373	87.8
214.30630	0.8
243.06686	1.5
317.31860	0.8
325.09357	4.3
352.02692	0.8
373.14972	0.9
535.91693	0.8
541.48706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94016	0.4
57.03476	0.5
59.01388	4.8
61.71318	0.5
62.34562	0.6
62.37542	0.5
69.12579	0.5
71.01403	2.6
72.00919	9.2
74.02483	15.2
78.95929	0.8
88.70472	0.6
92.10830	1.1
96.96016	10.5
100.37639	0.6
101.02435	1.2
113.02422	0.9
116.05070	57.7
119.05020	12.6
130.06625	2.4
135.04546	2.2
135.82785	0.6
142.06641	14.3
145.02974	6.6
151.04024	0.6
153.05672	0.6
159.09286	9.6
161.04765	0.6
163.04005	15.1
176.93050	0.7
177.05521	0.6
181.07169	2.2
186.05560	1.4
193.22063	0.7
203.08295	100.0
323.10068	1.0
327.10809	9.1
363.06662	0.8
459.15057	0.8
506.60782	0.9
535.84119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89031	2.0
57.03480	2.5
59.01387	90.9
61.98835	20.4
63.60714	2.3
69.03477	2.4
69.20393	2.0
71.01404	13.7
73.02934	3.9
75.00864	23.6
85.02980	3.0
85.31132	2.0
89.02470	5.5
93.03497	5.6
101.02472	5.5
103.30856	2.6
108.02194	39.5
109.02962	30.9
109.03590	2.4
119.05041	11.8
121.02960	100.0
135.03012	43.9
135.04585	13.8
137.02524	3.9
152.01172	36.2
153.01955	13.6
163.11339	4.2
173.04565	4.7
181.12398	10.3
191.14777	2.7
205.12485	3.7
208.99554	2.6
357.13611	5.2
387.18280	5.9
426.74075	3.0
489.32550	5.4
549.23438	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82373	0.8
59.01386	79.4
60.94909	0.8
61.98843	4.8
71.01376	8.1
73.02953	3.5
74.49937	0.9
85.02980	3.3
89.02428	1.1
93.03484	1.7
101.02447	1.9
108.02187	25.0
109.02966	20.4
111.16036	0.9
113.02436	1.6
121.02958	100.0
135.02980	1.1
135.04535	14.9
141.68071	0.8
152.01173	21.4
153.01956	10.0
160.01805	1.0
163.04004	1.7
163.11330	8.4
173.04602	1.4
175.27484	1.1
181.12312	12.2
187.11313	1.2
190.10036	4.7
205.12407	3.3
287.19116	0.8
312.69043	0.8
357.22897	3.7
442.06894	0.9
489.26801	1.6
511.97403	1.1
549.15887	1.2
549.23657	25.3
561.36230	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90293	2.1
57.03458	77.7
59.01387	66.9
59.01656	3.4
61.47572	2.0
61.98835	33.5
69.03471	23.6
71.01382	9.9
79.01936	2.9
81.03528	2.7
83.01405	2.9
85.02977	11.1
93.03457	2.5
95.01435	2.9
97.02968	11.2
99.04521	54.3
101.02450	14.6
104.21933	2.4
104.90102	2.8
107.01385	17.8
108.02163	27.3
109.02975	4.8
113.02470	2.2
121.02962	72.4
125.02451	100.0
135.00899	38.1
135.03043	4.0
135.04518	13.4
137.02414	4.2
151.00345	20.3
152.01176	65.7
153.01926	3.7
161.04602	3.3
164.72574	2.6
173.04550	2.6
177.02005	4.2
181.12328	4.8
190.09911	3.2
193.88013	2.3
201.41214	2.5
213.14917	3.7
242.05865	32.2
243.02797	2.6
243.06653	74.7
269.08182	4.7
321.49246	2.6
387.10956	48.9
405.12051	17.2
438.30447	2.5
447.12909	3.3
548.31970	3.8
549.23486	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	549.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03492	2.9
58.00612	14.1
59.01388	100.0
61.98835	2.8
67.31100	2.4
69.03487	2.8
71.01387	69.3
72.99347	4.1
73.02968	6.9
85.02944	19.1
86.60487	2.8
87.00905	11.0
89.02457	56.5
93.03483	3.1
95.01456	5.0
96.96023	60.5
96.96992	3.8
97.02974	5.4
99.00877	4.9
101.02459	45.4
107.05058	10.4
109.57291	3.0
113.02465	27.6
116.92901	3.4
119.03510	27.2
119.05056	13.9
121.02969	3.1
125.02466	26.1
127.60107	2.8
131.03503	3.2
134.03766	15.9
135.04541	96.2
143.03523	4.3
145.03038	3.6
147.04517	5.5
161.04575	14.7
163.04033	12.6
165.05573	45.8
179.05637	13.6
180.45097	2.6
191.50601	3.2
219.05365	3.1
221.06712	10.7
263.07715	3.3
323.09866	67.9
362.18878	3.1
446.24945	3.5
455.10370	2.7
459.15161	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	549.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31227	0.1
57.03460	0.2
58.90826	0.1
59.01393	4.9
60.52351	0.1
61.98847	0.6
68.62865	0.1
71.01388	2.6
72.99303	0.2
73.02946	1.0
83.01402	0.2
85.02981	1.0
88.98792	0.3
89.02452	1.4
93.03451	1.2
95.01388	0.3
99.00890	0.3
101.02446	2.0
111.00931	0.1
113.02467	1.3
115.92044	1.2
116.92879	0.3
117.01923	0.3
119.03510	0.6
119.05021	3.0
121.02954	100.0
122.03308	0.3
125.02425	0.2
131.33281	0.1
135.04512	1.2
137.02435	0.3
143.03595	0.2
145.03030	0.6
161.04584	0.6
163.04004	1.8
173.04561	0.7
179.05621	0.7
191.05656	0.2
211.07614	0.2
221.06636	0.2
223.07712	2.2
237.09161	1.2
239.05621	8.2
263.05591	0.3
265.08676	0.5
270.78818	0.1
283.09775	1.5
323.09711	0.2
327.08765	4.7
489.23358	1.8
503.33807	0.3
549.31036	0.3
574.00800	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	549.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.6
61.98854	0.2
62.99281	0.1
65.27519	0.2
71.01371	0.4
74.79610	0.2
83.49236	0.2
88.98793	0.2
89.02449	0.3
93.03452	3.9
96.99313	0.8
101.02443	0.3
102.02764	0.2
108.02288	0.2
109.02850	0.2
113.02483	0.2
115.92062	0.3
117.01952	0.3
117.03485	0.3
119.05026	4.1
121.02958	100.0
122.03277	0.4
123.04551	0.3
130.04236	0.2
131.05022	1.0
133.02971	0.8
135.04529	1.1
137.02400	0.2
143.05054	3.3
145.03006	0.4
145.06619	0.2
152.64645	0.2
160.01700	0.2
163.04031	2.1
171.10643	0.2
173.04584	0.2
175.03972	0.3
197.11890	0.8
211.07646	3.8
223.07831	0.2
235.07713	0.3
237.09286	0.9
239.05627	9.1
239.10881	0.2
251.07111	0.2
254.02696	0.2
265.08737	3.8
309.07935	1.5
327.08813	11.9
327.21829	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64535	0.3
59.01394	8.7
61.98846	8.3
76.47786	0.3
77.03978	1.8
96.57140	0.3
114.40092	0.4
121.02957	100.0
123.77675	0.3
165.01945	29.2
168.79990	0.4
180.05768	0.8
181.06670	2.9
197.06174	2.9
225.05527	0.9
257.09793	0.4
313.07172	0.8
373.10672	0.4
417.09781	1.6
453.29935	0.5
453.64972	0.4
454.30807	1.4
455.31052	0.5
502.32590	3.1
503.33881	87.9
505.11649	1.6
549.10541	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	548.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.4
60.09259	0.3
71.01380	3.4
73.02956	0.4
81.03464	0.6
83.01406	0.4
85.02509	0.3
85.02950	2.5
89.02449	1.5
93.03465	1.2
95.01389	1.4
96.96013	0.7
101.02459	2.2
108.02181	93.6
109.02970	28.1
113.02470	1.5
116.63215	0.3
119.03506	0.7
121.02932	1.5
123.00912	0.5
123.04478	1.2
133.02901	0.4
135.00893	0.4
151.04050	2.6
152.01170	75.1
153.01961	25.5
163.04015	1.5
165.01945	1.5
166.84915	0.3
190.67123	0.4
195.03168	0.3
207.18671	0.3
264.52621	0.3
295.10526	3.0
295.13333	0.4
296.10721	1.6
315.07278	100.0
316.07629	1.6
317.07672	0.4
344.53760	0.3
349.99353	0.3
555.65363	0.4
563.14606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56538	0.2
57.14439	0.1
59.01108	0.4
59.01396	7.9
60.01722	0.3
61.98842	27.7
72.04610	0.1
82.33244	0.1
82.56763	0.1
84.79926	0.2
85.04453	0.1
92.10827	0.3
102.54749	0.2
108.39993	0.2
121.02909	0.2
145.28880	0.2
172.51849	0.2
183.13921	0.8
184.14256	0.3
209.11885	0.7
380.30258	0.7
410.31540	1.4
481.62704	0.2
486.33295	0.9
487.34351	15.7
488.34723	100.0
489.34930	1.2
512.29126	0.3
548.30774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60549	7.6
53.52559	8.0
59.01386	100.0
61.98838	90.4
63.63348	8.9
67.43859	8.7
75.05762	8.3
85.83854	8.7
89.09940	10.1
96.45853	9.2
97.84276	10.0
110.82268	10.0
171.73138	10.9
192.84731	10.3
193.57510	10.2
196.89491	10.5
244.02803	13.4
447.61398	10.5
466.31635	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	547.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.5
60.64219	0.2
61.98839	0.2
63.08441	0.2
65.59279	0.2
68.10381	0.2
74.47382	0.2
85.19718	0.2
85.92683	0.2
118.17025	0.2
222.57976	0.2
233.25917	0.2
392.74197	0.2
487.34387	100.0
488.34869	2.5
490.25275	0.2
547.30310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.58329	0.3
73.72929	0.3
74.91096	0.3
88.38856	0.3
90.26662	0.3
102.82354	0.3
114.13834	0.3
123.22734	0.4
171.75304	0.3
207.54683	0.4
547.36646	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	547.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.8
55.01901	1.3
57.03451	9.5
59.01387	100.0
59.68913	0.8
60.99328	1.7
68.99583	5.0
71.01382	30.6
71.05017	1.9
72.99312	2.0
73.02939	6.6
75.00866	14.9
78.95920	4.4
81.07124	1.1
83.01398	1.6
83.05051	4.9
85.02948	15.2
87.00900	7.0
87.04527	1.1
88.98811	5.6
89.02454	12.8
93.03471	6.3
94.83688	0.9
96.96015	69.6
96.96977	2.2
97.02943	1.9
97.06577	1.9
99.00910	1.9
99.04530	1.7
101.02449	20.2
101.06155	1.1
109.02978	4.2
111.00891	4.0
112.98566	4.5
113.02477	6.7
115.00357	8.1
115.04010	1.7
116.92899	1.2
117.03449	1.0
119.03522	1.9
119.05028	15.1
121.02953	18.7
125.02448	1.2
127.04013	1.8
129.01945	7.1
131.03494	1.6
133.01460	3.9
133.10204	1.1
134.03758	1.4
135.02974	4.7
135.04543	2.1
135.11880	1.8
137.02458	2.0
144.12318	1.1
145.02974	1.8
145.05045	6.6
149.04510	1.1
159.02972	1.4
159.06528	1.2
160.01694	1.6
161.02519	1.2
161.09743	5.8
161.13403	2.0
163.04050	7.4
163.06114	17.4
163.11244	4.5
173.04584	2.1
175.02493	1.0
175.03943	1.6
177.04071	14.1
179.03575	0.9
179.10799	6.9
181.07205	15.0
189.09355	1.1
191.05617	15.6
191.07172	1.6
195.05058	7.4
205.12361	5.7
207.10243	6.6
223.08252	4.2
223.13438	43.2
267.12488	14.6
271.05878	0.9
284.03290	1.0
385.21954	1.0
401.14548	1.2
431.19177	51.1
529.19189	5.2
547.20367	39.8
547.27490	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	547.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01399	0.6
55.01904	2.9
57.03466	0.9
58.00614	1.4
59.01392	100.0
69.03450	6.3
71.01387	62.2
72.99314	2.8
73.02948	10.6
75.00909	1.0
81.03468	2.9
81.87887	0.6
82.95435	1.2
83.01391	7.3
85.02957	17.6
87.00899	6.5
89.02445	59.4
92.10793	1.7
92.66637	0.6
93.03466	1.4
95.01371	5.3
96.95994	4.4
97.02956	8.3
97.06606	1.1
99.00895	3.5
101.02438	39.0
109.02991	0.7
111.00898	5.0
111.04539	1.2
113.02449	24.4
115.00365	0.8
116.92872	0.8
117.01970	0.7
119.03502	25.0
119.04931	1.0
121.02966	2.8
125.02446	21.8
131.03511	4.2
132.84395	0.6
135.04515	0.9
139.04037	1.0
143.03535	6.4
147.04495	0.7
148.05322	51.4
149.04570	2.4
161.02452	0.7
161.04550	8.6
163.07663	13.7
179.05656	15.2
181.07314	0.6
191.05655	2.5
221.06654	12.3
223.13483	1.3
245.06645	2.5
263.07739	5.9
267.12531	0.9
272.19940	0.8
323.09882	33.7
431.19287	3.8
547.27948	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34118	0.6
59.01112	0.9
59.01391	21.9
60.69613	0.6
71.01392	3.8
82.17823	0.6
85.02988	2.7
89.02444	1.7
90.04546	0.8
95.82645	0.6
96.01093	0.6
96.96009	3.8
100.64449	0.7
101.02465	1.1
113.02451	2.7
117.03462	12.6
119.05029	34.5
121.03004	0.6
124.74477	0.6
133.06587	1.3
144.25137	0.8
145.02971	100.0
159.04535	0.8
161.06107	3.0
163.04010	35.3
187.04065	1.2
191.05611	1.0
205.05020	5.9
213.24449	0.7
233.10181	0.9
260.18362	0.9
265.07175	4.2
325.09357	41.7
385.05304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	2.0
57.60011	0.8
58.00621	1.7
59.01388	67.4
60.99319	19.9
66.15255	0.9
69.03465	8.2
71.01385	57.3
72.99326	1.6
73.02943	10.6
75.00510	0.8
75.00864	7.5
80.52938	1.0
81.03477	2.1
83.01421	5.1
85.02977	9.4
87.00892	5.7
88.98808	100.0
89.02445	65.6
93.03460	2.0
95.01402	1.5
96.96026	6.4
97.02940	12.0
99.00864	7.7
99.04536	1.9
101.02444	10.7
107.27398	0.9
111.00935	1.3
111.61617	1.1
113.02471	4.5
115.04020	7.0
117.01965	3.8
117.58891	1.0
119.05029	47.8
121.02950	3.8
125.02453	31.2
125.03320	1.9
130.33890	1.0
131.03506	6.3
135.03021	9.1
135.04538	3.9
143.03508	1.2
145.03006	5.4
149.04535	9.7
163.04025	62.2
167.23399	1.1
173.04680	1.2
178.04953	1.8
178.06371	24.0
191.05659	11.4
193.08714	10.7
213.90948	1.2
233.06685	23.4
285.04233	1.4
293.08853	52.4
429.12216	2.3
474.23138	1.3
547.14624	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	547.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.3
57.48312	0.2
59.01147	0.2
59.01395	1.7
62.79707	0.2
63.53676	0.2
71.01383	1.4
72.99334	0.4
73.02945	4.2
75.00880	1.2
84.18440	0.2
85.02984	0.4
87.00879	5.3
89.02478	1.0
93.03455	2.1
95.84234	0.2
96.96022	1.3
99.00919	0.3
101.02434	0.2
106.06202	0.2
107.60624	0.2
113.02510	0.3
116.92918	0.4
117.01945	6.4
117.03468	1.5
117.92834	0.3
119.05032	100.0
120.05363	0.2
120.97118	0.2
121.02971	2.6
129.01866	0.2
135.03026	2.3
135.04565	0.8
145.02966	9.6
161.02425	1.1
163.04033	64.6
164.04439	0.3
177.05519	0.3
187.18825	0.2
191.05542	0.3
219.06615	0.2
221.04665	0.3
237.07709	0.9
263.05722	0.4
281.06723	0.3
285.04028	0.4
374.96262	0.2
429.11957	5.0
487.12747	0.3
547.14581	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	547.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98897	0.1
53.72258	0.1
57.04738	0.1
57.79508	0.1
59.01393	0.7
60.22081	0.1
61.39360	0.1
71.01401	0.6
73.02956	0.3
74.52621	0.1
74.96764	0.1
79.83027	0.1
79.93109	0.1
83.01389	0.2
87.00898	0.2
89.02477	0.1
92.10052	0.2
93.03472	1.7
96.96008	0.2
99.00900	0.2
117.03471	0.9
119.05038	100.0
120.05349	0.6
121.02971	3.6
124.50459	0.1
126.90379	0.2
133.06566	0.2
145.02927	0.2
146.24808	0.1
163.04031	46.2
164.04361	0.3
181.06633	0.2
191.05595	0.2
193.06590	0.3
194.07419	0.3
195.08194	2.1
197.06177	0.2
197.09671	0.2
223.07690	11.2
241.08852	0.2
244.62282	0.2
327.62360	0.1
344.72995	0.2
429.11987	22.3
430.12244	0.2
547.14398	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	547.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90407	0.1
59.01395	0.2
62.68060	0.1
64.63272	0.1
71.01405	0.5
74.32726	0.1
75.00890	0.6
80.50667	0.1
89.02457	0.1
93.03479	0.5
117.01947	0.2
119.05036	100.0
120.05342	0.2
121.02976	0.7
134.03761	0.2
135.03006	1.5
161.06091	0.1
163.04027	61.2
183.03162	0.1
189.01985	0.5
194.82404	0.2
211.25877	0.2
231.75206	0.1
281.06781	0.2
285.04013	0.3
320.60199	0.1
341.06833	0.6
429.11948	3.9
539.16797	0.1
547.14703	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	547.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39798	0.3
53.68169	0.3
59.01381	0.7
60.99315	18.9
71.01377	0.8
88.98810	100.0
93.03458	7.6
96.96006	0.4
111.04527	1.8
119.05003	0.4
120.27251	0.4
121.02961	6.7
135.04495	0.5
137.02417	1.8
155.03484	1.7
161.45222	0.5
173.04567	33.1
237.50519	0.4
283.02463	0.6
295.08304	16.8
401.49963	0.5
457.11600	0.5
553.18347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86532	0.5
54.14942	0.5
57.37207	0.5
59.01397	6.8
62.63602	0.5
71.01390	30.1
73.43649	0.6
75.00886	1.4
76.57684	0.6
85.02972	3.4
87.00896	1.0
88.98832	1.2
89.02457	1.5
93.03480	4.6
96.96013	3.0
101.02435	2.2
109.02990	0.8
113.02467	0.6
115.00378	11.8
117.03469	3.3
119.03520	3.2
119.05016	3.4
121.02962	100.0
125.74204	0.6
127.04088	0.6
132.12109	0.6
134.03752	30.1
135.02983	2.8
135.04541	1.3
137.02435	2.5
143.05135	0.6
147.04504	0.8
149.06096	3.4
161.35002	0.6
162.41476	0.6
163.04037	1.3
173.04602	3.1
175.02641	0.6
178.02756	1.4
191.05614	18.0
193.03316	1.1
193.05089	33.6
211.07739	0.9
227.03136	0.6
231.37242	0.8
237.04103	9.3
239.03908	0.7
327.08826	4.2
341.04703	0.6
353.08240	0.6
380.36810	0.6
434.46820	0.8
484.30615	0.6
498.74026	0.7
547.14960	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3495
Annotation	Pachanol C
Peak:m/z	Relative Intensity
59.01388	48.7
61.98831	1.0
62.56696	0.6
70.51774	0.5
71.37222	0.6
72.99309	0.8
92.10784	2.9
119.35459	0.5
124.29925	0.7
130.05019	0.6
145.03162	0.6
147.91437	0.6
174.66040	0.6
191.05658	0.9
213.49318	0.6
230.37660	0.7
363.43970	0.8
409.31262	1.2
437.30624	4.1
455.31760	42.3
485.32816	100.0
486.32883	1.1
501.32416	15.4
506.08725	0.8
545.28632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66109	0.3
54.82527	0.5
57.03463	0.5
57.11324	0.3
58.02984	7.8
59.01395	1.4
62.34491	0.3
64.60409	0.3
67.01907	4.6
67.08077	0.3
69.03472	0.6
70.02991	3.2
71.01395	3.5
72.00924	2.1
81.03477	0.6
83.05070	0.8
85.02969	0.7
87.00892	0.4
91.05534	3.2
93.03459	26.1
111.00932	1.5
111.04531	6.0
113.02488	0.5
119.05096	0.5
121.02962	25.7
135.04543	0.4
137.02448	4.8
147.04543	13.8
147.05641	0.7
155.03523	4.6
158.69533	0.3
161.02405	0.7
164.07191	35.8
173.04570	100.0
191.05670	3.0
206.08267	39.9
294.52686	0.5
295.08286	24.8
314.03317	0.4
331.22998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	25.5
60.01732	1.5
61.98843	7.9
76.57882	0.6
81.25874	0.7
83.63770	0.7
85.11935	0.7
101.40715	0.7
105.09123	0.8
236.80991	0.7
256.07303	0.7
273.18768	0.8
486.33179	3.0
503.33926	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	546.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06850	0.5
59.01395	2.9
61.33473	0.6
61.98851	1.2
81.62713	0.6
81.76972	0.7
88.37919	0.6
92.10844	0.7
111.88829	0.6
221.75307	0.6
284.52499	0.7
353.96338	0.7
389.28610	0.8
391.30069	1.2
486.32468	0.8
503.33893	100.0
504.34164	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63817	0.3
57.03460	0.7
59.01390	3.6
60.99325	0.6
61.98850	1.4
67.01898	2.5
67.23389	0.3
69.03459	0.4
71.01374	3.0
72.42082	0.3
72.99319	0.3
81.03448	0.4
85.02940	0.5
88.98785	2.3
93.03459	16.0
96.96057	0.7
99.04472	0.3
101.02481	0.4
109.02978	1.6
111.00899	0.7
111.04534	4.4
121.02960	25.9
125.58657	0.3
127.04037	0.4
133.03017	1.2
135.04541	0.8
137.02440	5.0
141.28694	0.4
155.03505	4.0
155.10817	0.3
160.01706	0.3
161.02475	2.2
173.04567	100.0
175.03978	0.3
179.03447	0.6
191.05659	0.5
217.01544	0.7
238.11977	0.3
295.08267	37.8
335.07864	1.7
415.22617	0.4
419.11649	0.4
457.11407	3.2
460.76410	0.3
547.18701	0.5
547.28448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34154	1.6
58.30936	1.2
59.01398	24.0
61.98836	6.5
203.17329	1.5
274.83902	1.5
290.90338	2.1
310.36499	1.6
315.06210	2.0
441.33728	2.0
455.31506	18.1
471.33865	6.7
473.35196	3.1
485.32816	36.9
487.34372	81.1
488.34723	13.1
517.34259	2.8
545.29944	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	545.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.60896	0.3
92.10790	1.4
119.12149	0.4
148.14682	0.3
252.78519	0.4
409.57269	0.5
485.32986	1.3
487.34149	2.7
545.29102	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	4.6
59.01385	80.1
60.99305	2.4
61.49749	2.6
61.98831	35.7
67.01891	3.0
69.03468	4.0
71.01377	30.5
73.02956	4.2
81.03512	3.0
85.02959	19.4
87.00919	9.7
89.02468	17.0
92.10768	9.6
93.03466	33.6
95.29235	2.5
96.96005	3.1
101.02464	16.5
102.29182	2.5
103.40268	2.9
107.15416	2.5
108.82133	2.5
109.02949	3.3
111.04543	3.0
111.08186	16.8
113.02470	12.0
119.03527	2.8
121.02950	5.2
131.03661	2.9
137.02444	5.9
148.47786	2.6
155.03513	2.8
159.04536	4.2
161.04541	5.1
169.12386	5.1
171.10165	3.5
173.04561	15.2
173.06039	8.9
176.10744	2.8
179.05661	3.0
187.07626	5.9
191.05627	100.0
197.11888	71.5
201.05708	4.5
211.13463	12.3
215.07207	49.4
229.08852	5.1
253.09320	26.7
256.07431	12.2
263.20139	4.8
291.19815	21.9
309.20779	75.6
485.30939	4.4
545.20685	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	4.6
59.01385	80.1
60.99305	2.4
61.49749	2.6
61.98831	35.7
67.01891	3.0
69.03468	4.0
71.01377	30.5
73.02956	4.2
81.03512	3.0
85.02959	19.4
87.00919	9.7
89.02468	17.0
92.10768	9.6
93.03466	33.6
95.29235	2.5
96.96005	3.1
101.02464	16.5
102.29182	2.5
103.40268	2.9
107.15416	2.5
108.82133	2.5
109.02949	3.3
111.04543	3.0
111.08186	16.8
113.02470	12.0
119.03527	2.8
121.02950	5.2
131.03661	2.9
137.02444	5.9
148.47786	2.6
155.03513	2.8
159.04536	4.2
161.04541	5.1
169.12386	5.1
171.10165	3.5
173.04561	15.2
173.06039	8.9
176.10744	2.8
179.05661	3.0
187.07626	5.9
191.05627	100.0
197.11888	71.5
201.05708	4.5
211.13463	12.3
215.07207	49.4
229.08852	5.1
253.09320	26.7
256.07431	12.2
263.20139	4.8
291.19815	21.9
309.20779	75.6
485.30939	4.4
545.20685	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.99315	3.9
63.53535	1.7
71.01406	1.8
88.98804	25.4
99.23247	2.1
105.43014	1.8
121.02972	2.0
125.87312	1.8
209.11871	3.5
318.60712	2.2
370.68649	2.3
446.47314	2.5
463.30463	2.2
485.32904	3.4
492.77481	2.1
564.72321	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	545.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27967	2.1
58.70663	1.9
59.01389	100.0
71.01431	2.4
72.99329	2.3
80.66940	2.1
85.03049	2.1
86.07724	1.9
91.82685	2.1
93.14023	2.1
93.68275	1.9
121.02937	16.2
154.95726	2.4
187.55183	2.3
191.05603	2.6
436.69888	2.2
472.35043	2.7
473.35413	2.6
485.32883	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	545.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76091	7.3
59.01379	58.5
61.69017	7.6
71.01402	16.1
75.00894	11.5
84.42122	9.2
85.02974	11.4
88.98823	46.1
89.02486	10.9
93.03474	84.2
93.33900	7.6
96.96006	11.5
121.02946	100.0
121.14892	8.9
133.02946	14.1
135.04575	13.1
137.02473	78.0
155.03464	11.6
163.04071	10.7
173.04523	66.5
173.05884	9.0
176.01187	8.6
176.84654	9.4
191.05675	47.7
386.08920	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	545.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06661	1.2
58.00594	1.8
59.01384	100.0
59.95424	1.1
66.84192	1.4
71.01383	44.6
71.05032	2.2
72.99310	5.4
73.02948	2.6
74.47998	1.4
74.79922	1.3
83.01390	2.2
85.02960	17.2
85.81728	1.3
87.00903	10.1
89.02441	53.0
92.10120	2.6
93.03470	8.6
96.96008	41.0
96.96992	6.4
99.04552	2.0
101.02431	29.7
111.00872	18.2
113.02496	17.3
115.00388	2.4
116.92883	1.7
117.05579	18.4
119.03492	21.0
131.03543	1.8
135.04546	2.3
137.02446	21.6
161.04576	2.3
169.38805	1.4
179.05621	8.1
180.12917	1.5
191.01985	12.0
191.05618	33.5
253.03693	1.6
279.10880	97.5
279.13940	3.3
289.91925	1.5
323.13516	10.7
377.93094	1.5
502.01004	1.7
573.57916	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
62.45492	0.1
66.08168	0.1
71.01385	18.6
72.25596	0.1
77.01277	0.1
78.30273	0.1
82.24194	0.1
85.02961	0.3
87.00888	0.2
89.02463	0.3
92.69526	0.1
93.03471	0.2
95.01345	0.1
96.96009	1.9
97.02912	0.2
98.95587	0.7
101.02467	0.7
108.12218	0.1
111.33269	0.1
112.83015	0.1
115.00380	9.3
116.92865	0.9
121.02959	100.0
122.03300	0.2
134.85619	0.1
144.79539	0.1
165.05536	0.1
167.03496	0.1
189.58318	0.2
191.05692	0.3
202.38591	0.1
231.70181	0.1
237.04092	10.3
410.00623	0.2
485.22519	0.6
525.95984	0.1
529.51062	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	545.189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54873	0.1
54.82750	0.1
59.01397	1.9
65.03981	0.7
71.01404	1.2
73.02961	0.3
81.73228	0.2
85.02963	0.2
87.00890	0.2
89.02469	0.9
93.03468	76.2
94.03814	0.3
94.77121	0.1
96.96043	0.2
101.02459	1.0
113.02470	0.3
119.05098	0.1
121.02999	0.5
137.02460	100.0
141.43407	0.2
161.04585	0.3
168.20470	0.2
169.94006	0.2
173.04529	0.2
179.05670	0.3
191.05659	0.3
399.43790	0.2
405.85959	0.2
424.89459	0.2
545.18835	4.4
545.25800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2167
Annotation	Vittarin E
Peak:m/z	Relative Intensity
59.01389	25.8
60.07318	5.1
70.78786	6.1
70.92961	5.8
71.01396	9.5
81.19897	6.0
85.02960	6.9
88.98895	6.3
92.22792	5.9
92.87806	7.4
101.13531	5.9
109.45128	7.3
119.05001	8.3
121.02945	12.4
137.02437	9.3
191.05576	11.0
300.33701	6.2
378.38644	7.3
429.21161	9.5
545.21735	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	545.1479
Annotation	Xanthoaphin
Peak:m/z	Relative Intensity
50.64191	0.4
58.00605	3.5
59.01389	100.0
61.98839	1.4
65.46428	0.5
71.01407	0.7
73.02959	0.7
84.67824	0.5
85.70186	0.5
88.44759	0.6
88.75209	0.5
101.02442	0.9
104.83141	0.7
136.54958	0.6
186.52284	0.6
249.16040	0.9
249.18626	25.7
253.09360	3.6
283.54312	0.6
325.81476	0.6
341.08502	0.8
350.16580	0.6
367.09659	1.0
367.32501	0.7
370.08737	0.7
383.09409	2.3
395.09390	1.2
397.06931	1.4
398.04279	0.7
404.69748	0.7
405.37033	0.6
409.07111	1.0
410.08224	1.3
411.04181	0.7
411.08398	4.1
421.07187	3.9
423.28940	1.1
424.29422	2.4
425.30109	1.8
439.12161	0.9
439.32501	9.0
440.32742	7.0
441.30377	4.5
441.34369	1.4
443.11005	0.7
452.32813	1.2
453.10141	0.8
453.33524	2.5
454.10504	2.4
454.34372	6.6
455.11469	5.6
455.34848	5.6
465.09888	3.3
466.10803	2.4
469.33234	2.6
470.10406	0.9
470.33725	11.0
471.34079	10.3
472.35263	17.5
473.12573	1.1
473.35608	13.7
483.11069	3.7
485.12643	2.6
485.32874	31.9
503.13550	1.0
509.12592	4.1
515.33972	0.8
516.34216	11.9
517.34460	8.7
527.13580	15.6
532.55621	0.7
545.14667	82.4
545.29474	6.3
546.14648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82918	0.6
57.03447	1.2
59.01388	15.2
63.69016	0.5
65.84961	0.6
66.05629	0.6
67.01893	1.0
67.93662	0.6
71.01389	8.2
73.02962	1.2
75.00890	1.0
78.95947	0.6
81.03461	0.7
83.01429	0.8
83.05040	0.7
85.02946	14.0
85.03442	0.8
87.00886	4.6
89.02451	3.2
89.31538	0.5
92.10796	1.4
93.03437	5.8
96.96024	4.6
99.00928	0.7
99.04539	0.9
101.02443	1.1
107.05046	1.4
108.02210	2.6
109.02963	2.6
109.65245	0.8
111.00890	17.3
111.04510	1.1
113.02488	0.9
115.00350	1.2
119.03511	0.8
121.02969	3.8
125.02441	2.9
127.04033	2.8
132.02173	0.8
134.03775	1.3
135.04538	2.4
137.02444	1.2
145.03011	0.8
146.03749	3.5
147.04526	2.9
149.02478	0.7
150.03262	0.9
152.01187	1.5
153.01935	0.7
157.02925	1.0
159.04552	1.1
160.01697	7.0
161.02049	2.2
161.04562	0.9
161.13367	0.9
173.00906	1.3
173.02438	0.8
173.04558	3.0
175.04005	7.8
176.04266	1.5
191.05646	61.1
209.06123	3.1
210.06554	0.7
213.05669	0.8
221.06163	0.8
223.04060	1.0
223.13461	2.3
224.04823	1.1
229.01425	13.2
237.05577	3.6
238.06313	5.1
240.04343	2.6
248.04784	2.5
249.05515	7.6
249.11349	0.7
249.31223	0.6
250.06343	3.5
252.04317	3.1
265.05099	19.2
266.05881	62.0
267.06683	6.4
267.12488	1.5
277.05197	5.6
281.08237	24.6
283.10025	0.9
293.04575	7.1
294.05402	13.7
299.09222	0.9
308.07187	0.8
309.07736	20.6
325.07202	0.8
332.45816	0.6
337.03745	0.7
338.04239	1.5
353.06732	100.0
354.06943	0.8
365.10281	2.7
369.15573	0.7
374.62537	0.7
429.17755	3.2
517.13239	0.8
518.13733	3.4
545.12628	0.8
545.19916	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	0.2
56.42625	0.2
59.01386	2.5
61.98828	0.2
68.43923	0.2
68.69805	0.2
68.91814	0.2
68.99822	0.9
71.01395	1.4
73.02946	0.2
83.01412	0.3
85.02960	1.8
87.00860	0.4
92.65955	0.2
93.03454	1.3
95.01420	0.3
96.03625	0.3
99.00903	1.2
99.92686	0.2
101.02431	0.4
103.20255	0.2
111.00872	0.4
112.85392	0.2
113.02468	0.5
113.99600	2.2
115.00401	0.9
121.02959	100.0
122.03281	0.2
123.70218	0.2
127.00330	1.0
129.01927	0.3
135.04543	0.3
137.02454	0.4
139.00395	0.5
157.01445	0.8
169.01373	0.3
173.04608	0.4
186.06923	0.2
191.05629	2.1
196.16805	0.2
198.18327	0.2
209.28888	0.3
209.44293	0.2
215.07018	0.3
237.26884	0.2
256.07666	0.3
381.08258	2.5
423.09509	0.9
501.46945	0.3
545.13116	25.6
546.13428	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.2
59.01389	21.7
59.01659	1.2
61.98851	1.0
69.03481	1.2
71.01385	15.0
72.99359	0.9
73.02972	3.7
75.00877	1.1
75.66179	0.8
80.91707	1.5
83.01406	3.3
83.05032	1.8
84.38789	0.7
85.02959	17.4
87.00889	4.2
88.98818	1.0
89.02434	7.1
92.10783	0.8
93.03450	13.6
94.98074	0.8
96.96037	6.0
97.31032	0.9
99.00893	1.3
99.04517	1.3
101.02461	4.9
107.05019	0.9
108.02212	2.2
109.02973	4.1
111.00902	5.0
111.04534	2.2
113.02479	5.8
115.00381	5.4
119.03510	1.9
119.05038	3.7
121.02959	11.3
123.04513	1.4
125.02501	1.1
127.03993	1.7
128.16940	0.9
133.01482	3.4
134.03761	1.0
135.04517	4.7
137.02469	1.5
145.03023	3.6
146.03752	4.7
147.04535	3.7
150.03242	1.4
157.03020	1.5
159.04543	1.2
159.08083	0.9
161.02415	1.1
161.06145	1.2
161.09682	1.1
161.13406	1.2
162.99396	1.0
163.04054	1.7
173.04541	5.5
175.04022	1.2
179.03506	1.1
191.05635	66.7
192.06035	1.2
205.12431	2.0
207.10237	0.9
209.06149	2.0
211.07684	1.6
221.06076	1.1
223.04022	1.4
223.13495	4.5
224.04761	0.9
228.17673	1.0
229.01477	15.1
237.05547	4.0
238.06427	1.8
239.03548	1.3
248.04861	3.6
249.05536	8.8
249.11183	1.4
250.06403	4.2
252.04324	1.5
265.05124	18.6
266.05859	63.8
267.06781	8.7
267.12421	3.4
277.05200	5.6
281.08215	23.7
283.09854	1.4
293.04630	9.2
294.05347	16.0
299.09470	1.4
308.06982	1.4
309.07681	16.7
327.08978	1.6
338.04486	1.9
353.06732	100.0
354.07147	1.1
369.15314	1.1
376.42249	1.1
429.17395	6.2
520.56482	1.1
545.18732	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	545.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01413	0.2
59.17640	0.1
64.34757	0.2
71.01379	0.2
78.95908	5.0
79.95746	1.7
81.77315	0.2
87.00881	0.2
88.41682	0.2
96.96013	100.0
96.96909	7.8
160.71243	0.2
163.03990	0.3
167.88448	0.2
191.05621	3.3
192.05911	0.7
401.62872	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01413	0.2
59.17640	0.1
64.34757	0.2
71.01379	0.2
78.95908	5.0
79.95746	1.7
81.77315	0.2
87.00881	0.2
88.41682	0.2
96.96013	100.0
96.96909	7.8
160.71243	0.2
163.03990	0.3
167.88448	0.2
191.05621	3.3
192.05911	0.7
401.62872	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34614	66.0
59.01404	89.3
61.98859	97.9
63.07834	63.7
65.20506	70.3
70.82018	72.4
150.47505	72.1
199.12735	83.7
347.25739	100.0
500.92664	82.3
531.21423	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20713	0.3
57.03452	3.5
59.01397	2.2
66.26965	0.5
67.01899	0.9
69.03454	3.8
70.70325	0.5
71.01400	2.7
72.99303	0.7
73.02960	0.8
76.56211	0.5
85.02951	19.9
86.06055	0.4
87.00876	24.0
89.67893	0.4
93.03461	2.9
97.02962	3.5
101.02480	0.8
109.02958	0.8
110.38196	0.4
111.00887	53.8
115.00349	0.6
117.01916	0.5
127.04022	2.0
129.01988	3.7
133.02937	1.9
135.03423	0.5
135.04532	0.9
141.01923	0.8
154.99847	0.7
159.90190	0.5
161.02457	1.8
166.97049	0.5
167.10898	0.5
173.00958	3.8
173.02219	0.4
173.04596	0.6
191.02023	38.7
191.05638	100.0
192.06117	0.5
203.02011	9.6
264.57227	0.5
298.32288	0.5
341.56699	0.5
353.08798	11.1
382.09790	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.5
61.98844	1.8
68.99590	3.5
75.66586	0.9
85.72153	0.6
87.30917	0.8
89.96397	0.7
92.10734	1.5
93.03339	0.8
100.71500	0.7
101.15527	0.7
111.87125	0.8
112.98564	1.2
157.27382	0.7
252.96216	0.8
295.02560	1.3
386.86331	1.0
423.29407	3.5
437.30280	0.9
439.32239	2.9
450.69019	0.9
451.32281	1.3
453.33850	42.0
469.33194	5.1
471.34857	100.0
472.35153	1.1
489.36176	3.5
515.33887	41.3
516.34149	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.98833	52.8
68.81393	21.7
69.47050	19.1
72.04713	21.4
102.81884	26.7
143.63885	24.3
545.35345	28.9
569.67676	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	11.0
59.01395	3.3
61.48151	0.7
85.33530	0.8
93.78099	0.6
131.75459	0.6
188.51645	0.8
296.44339	0.7
387.30444	0.9
389.32129	0.7
421.30789	1.0
423.29056	15.7
437.30621	0.9
439.32230	28.4
451.32376	9.7
453.33887	33.2
469.33325	59.3
470.33453	1.5
471.34882	100.0
472.35278	2.9
483.31424	1.6
489.35995	5.8
515.33899	44.9
516.34198	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	9.1
57.03453	6.5
59.01384	100.0
61.64979	4.1
61.98848	5.6
67.35359	4.1
71.01381	82.2
73.02959	21.7
83.01378	6.9
85.02953	41.1
87.02314	4.7
89.02454	27.2
92.66077	5.6
95.01395	6.9
98.43439	4.6
99.00868	8.7
101.02434	62.4
107.20638	5.0
113.02458	31.0
119.03489	7.5
121.02993	5.9
143.03464	5.2
161.04594	12.3
179.05646	8.4
209.11888	7.7
543.27753	37.3
564.10553	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	543.3332
Annotation	Luvungin F
Peak:m/z	Relative Intensity
57.03451	1.2
59.01390	100.0
61.98841	8.4
66.52737	1.0
71.01382	12.5
71.40360	0.9
72.62891	0.8
73.02962	1.7
75.00888	1.8
85.02970	5.4
88.16039	0.8
88.98255	0.8
89.02445	17.1
90.01029	0.8
91.77167	0.8
92.10857	1.8
93.03474	4.9
96.95979	0.8
101.02427	9.4
113.02430	7.3
119.03526	6.3
121.02982	1.6
137.02518	1.8
161.04549	4.8
167.56294	0.9
173.04599	1.8
179.05603	4.2
211.41771	1.0
215.33783	1.0
233.28426	0.9
266.50830	0.8
348.85794	0.9
401.11136	0.9
474.61844	0.9
483.29547	5.8
507.35468	2.0
520.57880	1.3
543.33215	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	10.7
57.03458	5.6
58.00597	0.8
59.01388	55.7
61.39178	0.4
61.98833	4.6
63.47959	0.5
65.87248	0.5
67.45573	0.5
69.03468	1.1
71.01383	64.3
72.99310	2.0
73.02947	25.0
75.00880	1.1
76.78573	0.5
82.05574	0.4
83.01396	14.0
83.89854	0.6
85.02954	37.5
86.00122	0.8
87.00887	3.9
89.02444	13.9
93.03474	1.1
95.01395	5.5
97.02955	2.4
99.00887	7.7
101.02444	58.3
111.00881	1.2
113.02455	25.2
119.03525	4.7
121.02972	0.6
125.02442	3.5
129.01947	2.1
131.03496	0.6
135.04532	0.8
137.02420	0.6
143.03534	2.4
159.02992	3.3
161.04559	18.6
179.03450	0.7
179.05627	1.2
183.96458	0.5
191.05594	0.6
319.21310	25.0
319.26865	0.7
343.35968	0.6
347.18018	0.6
396.11420	0.5
447.92477	0.6
481.26636	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	541.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81675	0.4
55.01881	0.5
57.03457	2.8
57.48052	0.4
59.01391	8.8
61.01753	0.5
62.72819	0.5
64.34689	0.5
71.01382	10.3
72.99299	4.6
73.02936	4.0
75.00869	11.8
85.02953	10.1
86.45769	0.5
87.00887	2.8
87.04523	0.6
89.02451	3.1
92.10072	0.6
93.03450	0.8
95.01392	0.7
99.00874	2.6
101.02456	2.6
109.02982	0.7
110.60284	0.5
119.03513	0.5
120.57816	0.5
121.02979	1.0
129.01965	6.0
131.03502	0.5
134.45152	0.5
137.09760	6.6
139.00354	1.0
141.01933	0.7
142.90962	0.6
153.01958	2.5
153.60152	0.7
155.10799	100.0
156.11110	0.7
159.03004	1.1
177.04109	10.2
181.07129	1.1
181.08757	0.7
191.05592	1.3
192.55737	0.6
195.05141	0.7
199.09804	35.4
257.05487	0.6
298.51926	0.6
357.39709	0.6
363.16656	19.1
481.22757	2.6
502.55408	0.7
505.19257	1.2
541.21466	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99457	0.7
59.01395	7.6
63.36528	0.9
71.01395	6.0
71.49184	0.8
73.02950	1.8
73.51242	0.9
75.00900	0.9
85.02966	4.5
87.00844	1.5
89.02473	4.2
92.10098	2.1
95.18392	0.8
96.96014	7.3
101.02471	4.0
113.02478	1.4
121.02961	1.7
121.35179	0.9
123.00878	1.7
124.71841	0.9
125.28960	0.9
133.03053	1.2
135.04539	4.2
137.02466	0.9
149.02452	5.5
151.00398	11.8
161.02466	1.6
164.04852	6.6
166.02724	21.6
167.03511	2.2
177.04073	1.7
179.03506	2.2
179.07178	4.1
181.05096	18.8
182.02258	1.7
191.05635	31.8
192.06023	1.6
194.55911	1.0
197.04556	4.2
215.03577	6.1
227.03546	1.4
229.05086	4.0
230.05878	3.5
240.04340	5.4
241.05122	4.4
243.03049	12.5
257.04559	2.3
258.05310	8.9
258.96780	1.1
269.04395	1.2
271.02570	12.6
273.07632	7.2
285.04172	2.1
286.04755	7.1
300.06497	1.3
301.07217	100.0
315.08688	2.0
316.09573	61.5
330.11136	1.6
331.11926	99.1
332.12045	1.4
375.07068	4.3
379.14020	29.1
419.77570	1.0
481.19348	1.3
503.49649	0.9
505.20047	1.6
541.21576	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	541.214
Annotation	(2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
Peak:m/z	Relative Intensity
51.19603	0.4
55.01880	0.6
55.83168	0.4
57.03456	5.7
59.01385	10.6
68.99823	0.5
69.03455	3.5
69.68854	0.4
71.01383	12.1
72.99313	3.1
73.02942	3.2
75.00874	37.7
83.01389	0.8
83.55183	0.4
84.02203	0.8
84.15308	0.4
85.02962	9.8
87.00875	9.0
87.01374	0.5
87.04517	3.1
89.02427	4.4
96.96039	0.7
97.02963	4.2
99.00891	5.3
99.53484	0.4
101.02463	3.3
103.00365	0.5
113.02460	0.6
115.04002	0.6
117.02040	0.5
120.95146	0.4
121.02975	1.8
123.38387	0.5
129.01958	8.9
135.08167	0.6
137.09726	11.5
139.11317	0.6
141.01970	2.7
155.10802	100.0
159.02986	0.9
169.12370	2.0
177.04068	38.9
181.07170	1.5
181.08740	3.0
191.05626	0.8
199.09789	35.2
200.10117	0.4
213.11386	1.7
240.47261	0.4
241.10843	5.4
305.45251	0.4
342.75909	0.5
345.15726	1.9
359.13474	5.7
363.16724	8.8
377.14633	1.8
396.90628	0.5
505.19485	5.1
541.21490	94.5
542.21759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89805	0.8
57.03435	0.9
59.01384	20.8
59.01659	1.2
60.99328	0.7
61.98838	4.3
71.01394	7.0
72.99297	1.1
73.02959	3.4
74.07833	0.7
75.00873	1.8
81.03467	1.4
82.95425	29.4
83.01443	1.0
85.02965	6.0
87.00913	1.4
88.98791	1.8
89.02465	1.1
93.03471	5.0
95.01390	1.6
96.96028	1.4
101.02426	3.4
108.02193	52.2
109.02970	95.8
111.00896	4.9
113.02482	1.4
116.92867	1.0
119.05035	2.0
121.02965	11.6
123.00876	1.6
123.04558	1.1
125.02445	1.7
134.03751	1.3
135.00848	1.0
135.04527	3.6
137.02460	3.3
139.11313	7.9
145.02957	1.9
152.01178	60.3
153.01961	83.8
155.10852	1.1
161.02380	0.9
163.03996	1.1
164.04913	1.0
173.04544	1.6
181.12285	1.5
183.10275	5.2
184.04102	0.8
191.05582	5.0
207.10185	0.9
225.11414	1.8
236.13980	0.8
243.12372	2.0
255.03139	1.0
295.98724	0.8
315.07504	1.1
418.56519	0.9
479.19266	1.6
481.17395	3.3
497.20358	3.7
523.17792	1.2
541.19360	100.0
542.20007	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52751	0.4
56.60022	0.4
58.02997	3.0
59.01390	54.4
60.01739	0.6
61.23629	0.4
61.98840	0.8
69.49628	0.4
70.02991	1.2
71.01400	2.2
72.00925	0.6
72.04583	0.5
72.99308	5.4
74.02477	13.4
79.48293	0.4
85.02971	0.6
91.41166	0.6
93.03465	0.5
95.01238	0.5
96.96024	1.1
98.02511	3.4
101.02448	0.6
105.12366	0.5
107.05239	0.5
116.03545	2.8
116.05070	8.4
119.05049	6.0
121.02928	0.7
130.06598	0.7
142.06645	1.2
143.88506	0.5
147.04544	100.0
150.03249	4.2
151.03639	1.1
159.09283	0.9
165.05586	95.0
166.05931	2.3
167.06099	2.2
185.11891	0.8
191.05673	1.1
203.08322	15.3
207.06664	42.1
245.09352	23.5
358.79300	0.5
383.32660	0.5
425.61105	0.5
427.20444	0.5
446.51105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47377	1.7
59.01389	31.0
61.98840	15.2
71.01396	10.8
73.02939	2.2
80.91685	2.7
82.95434	12.6
83.05040	2.4
85.02954	2.5
88.98829	4.4
89.02463	2.7
93.03471	19.7
96.96020	3.9
101.02472	3.4
108.02191	9.6
109.02966	32.6
121.02963	100.0
123.04520	2.5
135.04547	2.9
137.02420	10.6
145.02979	2.2
153.01939	4.3
161.02414	3.4
173.04582	23.9
191.05629	3.6
211.07773	2.3
264.94162	2.7
274.04764	4.1
295.08301	4.6
319.16641	5.1
449.14444	2.5
480.32187	2.4
480.90936	2.6
541.13574	31.2
541.33551	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	540.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21130	0.4
59.01389	100.0
59.07633	0.5
61.98832	5.7
64.98663	0.5
66.23797	0.5
69.03474	0.7
70.54111	0.5
71.01370	0.7
73.77709	0.6
78.95942	0.5
89.93329	0.5
91.82851	0.4
93.03468	0.7
93.29519	0.5
96.99314	3.7
107.00816	0.5
109.87534	0.5
121.02927	5.9
130.91103	0.6
135.04521	0.7
136.83438	0.6
141.01715	36.9
141.09244	0.6
146.88428	0.5
155.35852	0.6
176.18388	0.6
191.05579	0.7
246.67175	0.6
252.51688	0.6
480.11581	8.0
494.92865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20584	0.7
60.24519	0.7
61.98837	100.0
64.23650	0.8
70.82664	0.9
74.56534	1.0
80.91492	0.9
84.00924	11.2
87.00370	0.8
87.23360	0.8
88.73876	0.9
100.96381	0.8
126.81162	0.9
156.90575	0.9
224.77852	1.0
230.94081	1.0
261.35004	1.2
270.67661	1.2
455.35513	23.1
540.33130	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	9.9
64.70866	0.9
69.24578	1.1
75.75554	1.0
78.95903	19.3
111.99078	1.1
152.99667	1.2
163.54276	1.1
167.74020	1.0
168.04355	2.1
213.19569	1.2
224.07030	7.1
242.08134	1.3
255.23331	100.0
404.72421	1.2
480.31012	65.1
501.88434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60303	0.7
53.92451	0.8
61.98838	100.0
81.15542	1.0
113.20168	0.8
129.30954	1.0
130.72255	0.9
139.95380	0.9
159.25829	0.8
455.35458	6.9
456.35547	1.3
540.33112	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64573	0.6
57.20360	0.7
59.01387	100.0
60.24255	0.6
61.01794	0.6
61.98836	40.8
71.01403	1.5
78.58008	0.6
82.73302	0.6
89.25282	0.6
96.99339	5.0
121.02956	5.7
134.26750	0.9
138.84521	0.6
141.01717	32.7
149.70682	0.8
157.59528	0.7
181.26245	0.7
191.05617	1.2
204.49316	0.6
208.42014	0.6
230.03200	0.8
244.81688	0.7
250.97493	0.7
287.91772	0.6
295.82123	0.8
308.00323	0.7
423.75272	0.7
438.92020	0.7
480.11566	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	539.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	76.4
61.98850	49.5
111.17453	9.3
116.92889	8.4
144.52477	8.8
179.10820	22.8
207.10457	10.5
209.11852	38.7
217.00259	12.2
223.09779	17.0
255.12331	36.4
374.41705	9.3
454.65756	13.1
501.32388	47.1
503.34085	100.0
515.43823	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	539.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83079	1.3
55.01885	9.5
57.03449	9.2
59.01388	77.9
61.53292	1.0
61.98851	8.5
62.13836	1.1
66.77795	1.1
71.01386	85.6
72.99327	2.7
73.02945	24.3
75.00872	1.9
82.63938	1.2
83.01386	12.7
85.02953	40.3
87.00906	5.0
89.02446	27.2
92.10749	2.1
93.03452	2.9
95.01387	7.8
96.96015	1.4
97.02980	2.4
99.00867	10.6
101.02448	64.1
105.73132	1.3
111.00932	1.9
113.02471	30.0
119.03511	10.8
121.02969	9.2
125.02453	5.1
135.04654	1.5
141.01875	1.4
143.03532	4.9
145.03036	1.7
159.03012	5.0
161.04597	23.0
173.04593	1.8
173.06024	2.5
179.05615	15.7
191.05598	2.2
201.05630	2.0
219.06497	2.1
221.06596	2.6
239.35095	1.3
317.19867	18.9
339.72321	1.5
479.25089	100.0
539.29871	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	539.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.5
57.03470	2.9
59.01386	23.4
69.03459	1.5
71.01381	18.2
71.01727	1.0
72.99335	0.9
73.02946	5.8
74.57346	0.6
75.00896	4.5
79.95809	0.9
83.01382	5.1
85.02953	12.3
85.03410	0.9
87.00890	3.4
89.02446	9.1
91.74797	0.7
93.03455	87.1
95.01413	1.1
96.95988	5.6
97.02966	1.3
99.00906	4.0
101.02444	12.7
108.02198	1.4
109.03003	0.9
111.03786	0.7
112.20654	0.8
113.02483	6.2
119.03520	1.5
119.05055	1.1
121.02949	8.4
122.03734	11.5
127.07676	2.7
129.01965	1.2
133.02985	3.9
134.03731	1.4
135.04558	1.1
137.02449	100.0
137.09740	1.5
139.11295	4.1
141.08014	0.8
149.02455	30.5
149.06154	0.8
150.03238	94.4
151.06097	2.7
152.94768	0.7
153.02051	1.0
155.10802	11.4
161.04541	5.5
163.04018	0.8
164.04825	6.0
165.05576	67.0
166.06367	4.6
177.04118	6.1
179.05675	1.4
180.04359	4.9
181.08704	5.3
183.10254	8.8
191.05618	5.4
195.05028	1.2
195.06654	21.7
197.11736	1.0
199.09807	2.7
225.11333	2.5
243.12480	3.5
258.94925	0.7
283.09808	1.0
295.10300	5.3
313.11502	3.4
314.11682	4.2
329.13992	7.8
343.14108	8.7
391.20050	1.5
479.21536	6.7
491.19333	58.2
521.18610	3.1
539.20398	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	539.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98028	0.4
57.18408	0.4
59.01388	84.6
62.54668	0.4
67.70379	0.5
70.72469	0.5
71.01390	3.5
73.02938	0.5
75.00884	2.1
85.02987	2.4
87.00935	0.7
88.98818	0.7
89.02449	2.1
93.03484	2.4
96.96057	0.5
101.02449	0.9
111.59534	0.7
119.05061	0.7
121.02982	2.9
122.03751	5.5
129.01958	0.6
137.02530	0.6
139.11310	2.3
149.02478	0.9
150.03247	57.0
152.45528	0.6
155.10750	0.7
165.05585	100.0
177.04042	3.0
181.12427	0.7
183.10294	3.6
191.05623	2.8
207.06837	0.5
213.07732	9.9
221.59073	0.6
225.11404	0.8
243.12459	3.4
305.89587	0.6
371.21368	0.6
407.19052	1.0
421.17191	2.1
487.59961	0.6
500.56512	0.5
500.87540	0.6
539.19116	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	539.2142
Annotation	Menthiafolin
Peak:m/z	Relative Intensity
57.03447	1.7
59.01389	100.0
60.99314	0.9
61.98840	2.6
65.91293	0.9
69.03445	1.1
71.01376	12.1
73.02946	8.5
82.40614	0.9
83.01409	2.4
83.05013	1.1
84.46634	1.1
85.02950	10.8
87.00878	1.9
88.98804	5.6
89.02470	4.6
93.03481	5.8
96.96024	10.5
101.02455	12.2
107.05062	2.0
108.02196	1.9
109.02977	2.4
109.06603	2.3
113.02458	6.5
114.35709	1.0
119.05016	4.9
120.85447	1.1
121.02975	16.6
123.00922	1.7
123.04495	1.5
125.02485	1.7
134.03661	1.1
135.04561	1.5
137.02437	4.7
137.09778	1.1
139.11295	24.5
145.02948	1.2
152.01096	1.4
155.10753	1.2
161.04550	2.1
173.04578	1.8
181.12404	9.7
183.10287	26.4
191.05630	6.6
194.93907	1.1
211.13446	4.4
213.14981	2.0
225.11406	4.2
243.12361	2.6
288.11697	4.3
315.36282	1.1
360.83154	1.0
361.48114	1.0
415.26923	1.1
477.21399	6.7
479.25220	1.2
479.32257	2.6
495.22540	37.4
496.22894	1.3
539.21436	67.7
547.90375	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
58.00580	0.6
59.01110	0.4
59.01385	7.3
71.01382	4.6
72.99303	0.5
73.02947	0.6
75.00877	0.3
83.01417	0.3
85.02949	1.2
87.00862	1.8
88.98798	1.1
89.02457	1.7
93.03443	0.2
99.00854	0.3
101.02442	2.3
108.02175	1.7
109.02978	0.5
113.02475	3.5
117.03477	5.4
118.04230	0.4
119.03509	1.5
119.05034	2.1
121.02958	100.0
123.04507	1.0
133.02983	2.1
134.03717	1.2
134.79767	0.2
135.04533	54.7
136.04851	0.3
141.01912	0.2
145.02963	19.5
146.03764	6.7
147.04541	6.2
150.03191	0.5
152.01207	1.1
161.02460	23.2
161.04585	1.4
162.03238	27.7
163.04027	9.7
164.04736	0.3
165.05569	0.6
177.05574	10.8
177.07077	0.4
180.04321	1.7
183.13936	0.9
191.05682	0.4
193.05118	2.1
195.06610	2.0
211.06241	0.6
219.06697	1.1
223.06175	4.6
283.08374	1.2
339.10956	3.6
393.59064	0.3
461.14575	2.0
474.20294	0.3
479.16174	0.4
539.17719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51411	0.1
55.01893	0.2
59.01395	0.9
69.72437	0.1
71.01401	1.1
73.02950	3.0
77.04035	0.2
85.02979	0.3
87.00890	0.3
89.02462	0.4
96.95929	0.2
101.02478	0.6
103.04048	0.5
119.03506	0.4
121.02964	100.0
122.03286	0.3
141.45221	0.2
147.03006	0.3
167.51910	0.2
186.43823	0.2
191.05598	0.2
215.80061	0.1
269.06714	14.0
273.11081	0.2
299.80054	0.2
313.88962	0.2
446.77548	0.2
500.24432	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02322	0.5
57.03462	2.5
59.01110	1.0
59.01397	19.2
60.99323	1.5
61.98838	2.5
69.03458	1.1
70.04374	0.6
71.01395	10.2
72.99334	1.0
73.02940	4.6
75.00876	2.6
81.03466	1.1
83.01387	1.3
83.05061	0.9
85.02943	7.9
87.00871	3.6
88.98822	7.0
89.02447	3.0
93.03458	5.9
95.01381	4.1
95.96007	0.6
96.96016	10.0
97.02934	1.3
98.58002	0.7
99.00920	1.5
99.04525	0.9
101.02464	5.3
101.26164	0.6
107.04992	0.7
108.02192	77.7
109.02971	66.4
109.06640	1.0
111.00878	1.2
111.04456	0.9
113.02468	5.2
114.36520	0.6
119.05015	1.3
119.08653	0.9
121.02972	11.4
123.00882	3.8
123.04496	2.5
129.01958	0.8
134.03720	2.4
135.00868	3.0
135.02989	0.6
135.04483	3.3
135.08157	0.9
136.01588	0.7
137.02414	2.7
137.09718	6.9
146.55710	0.6
149.00665	1.4
151.03998	2.6
152.01175	97.7
153.01961	36.9
154.02383	0.7
161.04486	0.8
161.09698	1.0
163.03983	1.2
163.07668	1.4
165.01962	1.0
165.12828	3.7
173.04550	2.6
175.03806	0.6
177.04082	0.9
179.10768	1.1
181.07179	4.2
181.08716	3.2
183.13928	11.5
191.05682	8.7
192.99667	0.6
195.02974	0.7
227.12914	5.9
236.98784	0.6
315.07376	4.8
391.19611	4.0
391.23999	0.7
477.17575	3.8
479.15662	5.0
479.24677	1.5
495.18561	3.0
539.17682	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	539.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00678	0.1
55.01891	0.2
57.03467	0.2
59.01390	0.6
62.75032	0.1
64.21207	0.1
65.13687	0.1
65.77505	0.1
68.99802	0.2
71.01379	2.4
75.00892	0.1
77.03947	0.2
85.02961	0.3
87.00880	0.2
89.02454	0.8
92.10784	0.3
93.03488	0.2
94.69346	0.1
96.95973	0.2
99.00880	4.2
101.02450	0.9
111.00903	0.2
114.05579	0.2
119.03551	0.3
119.80729	0.1
121.02962	100.0
123.11626	0.1
129.01923	0.3
135.04533	0.6
147.03011	5.9
151.28412	0.2
153.09227	1.1
155.10820	0.3
177.04149	0.2
191.05649	0.2
249.13956	0.2
255.12338	0.2
259.55203	0.2
269.06714	14.3
345.49643	0.2
418.69312	0.1
535.27997	0.2
539.19781	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37973	0.5
51.11155	0.6
52.94664	0.6
55.01901	0.6
56.26466	0.6
57.03450	1.0
58.22696	0.6
59.01112	0.8
59.01387	16.2
60.56701	0.6
60.99303	3.2
61.98840	3.5
65.00332	1.5
69.03432	0.8
71.01398	5.4
72.99303	5.3
73.02956	4.1
75.00891	0.8
80.31787	0.7
84.95006	0.6
85.02960	3.2
87.00884	1.0
88.98809	17.9
89.02427	1.5
91.01897	42.4
93.03458	50.8
96.26009	0.6
96.96008	15.4
99.00929	0.8
101.02454	3.4
107.05013	1.0
108.02170	1.1
109.02966	1.5
111.00764	0.8
113.02426	3.1
114.93424	1.4
117.03430	5.2
119.05037	4.6
121.02972	16.1
123.04549	1.1
125.02460	1.3
134.03773	1.3
135.00900	77.1
135.04509	3.0
137.02457	3.3
144.60667	0.8
145.02979	16.9
153.01962	48.8
154.04266	1.0
155.04926	0.7
155.10820	0.9
158.03781	3.7
160.01680	1.3
163.04068	1.5
168.00635	1.7
170.03693	0.9
173.04559	2.8
175.04016	3.0
178.99896	1.0
179.03471	0.9
182.03751	12.3
187.04051	1.0
191.05670	3.1
193.04962	1.0
197.02397	3.5
198.03221	4.2
211.04048	4.4
211.13428	0.9
226.02737	3.6
227.03448	3.0
228.04375	7.0
229.05080	30.8
229.08530	0.8
253.01494	5.4
254.02252	26.8
255.03009	14.9
272.03268	1.6
285.03812	0.9
295.08218	1.3
331.25150	0.9
449.14413	0.8
479.32419	3.8
501.13885	2.8
521.10883	25.7
539.12036	100.0
540.13055	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07405	0.2
56.14581	0.2
56.93758	0.2
57.03461	0.3
59.01395	3.1
60.37149	0.2
60.88810	0.2
68.37302	0.3
69.03452	0.7
71.01399	1.8
72.99301	0.3
73.02985	0.6
75.00883	3.0
85.02972	1.8
87.00892	1.0
87.04541	0.3
89.02477	1.1
93.03478	1.8
96.96014	6.9
97.02966	1.1
99.00900	1.0
101.02466	0.5
103.00383	0.5
109.02956	0.6
111.00912	0.4
113.02433	0.5
117.05114	0.3
121.02966	100.0
125.02518	0.3
129.01932	0.6
137.02493	1.1
137.09724	1.2
139.11275	0.4
142.69147	0.3
153.01990	0.6
153.09193	0.6
155.10806	3.5
173.04611	0.3
177.04111	2.6
183.52785	0.3
191.05620	2.0
194.14122	0.3
199.09807	1.6
203.65460	0.3
239.05647	15.2
241.10728	0.5
243.12550	0.4
286.29498	0.3
377.14786	0.4
405.68723	0.3
419.15656	0.3
424.88123	0.3
441.10559	1.4
479.21506	0.3
539.19836	6.1
539.27191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05202	1.8
59.01396	10.1
61.98849	3.6
68.33330	2.2
94.91307	1.9
99.55943	1.9
99.80413	1.7
106.02397	1.9
140.28973	2.0
156.58182	2.2
168.86595	1.8
238.15495	1.9
305.08627	2.0
323.42261	2.3
455.35419	100.0
537.35632	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22022	0.5
59.01385	4.6
61.98849	3.9
68.55478	0.7
70.59810	0.6
71.53255	0.6
75.39912	0.6
92.10800	1.6
99.64637	0.6
117.28486	0.8
171.53493	1.1
175.38632	0.8
199.76154	1.0
321.85776	0.7
455.35388	100.0
456.35669	1.1
537.35767	62.6
538.36383	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.8
61.98837	100.0
66.46812	0.3
79.24303	0.4
94.53287	0.4
119.88903	0.4
121.02982	0.9
122.01929	0.4
134.00299	0.4
138.05727	0.4
153.01996	0.7
164.23544	0.4
171.06599	0.4
180.17792	0.4
191.05753	0.5
197.54063	0.4
218.78932	0.4
502.32410	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	538.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17826	0.3
61.98843	100.0
74.79550	0.3
90.30463	0.3
95.02650	0.3
116.12171	0.4
155.67026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.1
59.46883	0.5
61.98842	100.0
68.21419	0.5
68.80377	0.5
75.39539	0.5
76.51528	0.5
81.82247	0.5
92.10052	1.3
119.72379	0.5
131.85797	0.6
152.97720	0.6
227.78275	0.6
230.87781	0.5
300.95917	0.5
449.65613	0.6
479.65692	0.6
511.93857	0.6
541.77362	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86187	2.7
58.24467	2.5
59.01382	20.7
61.98833	100.0
62.21885	2.8
62.60010	2.8
70.76044	2.5
77.78112	2.3
78.77216	2.5
128.07613	2.8
137.86214	2.6
200.29060	3.3
216.95792	3.2
255.23460	6.3
274.40335	2.9
284.78488	3.0
362.29831	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90977	16.0
58.58995	15.6
59.01401	31.9
61.98842	30.9
66.79805	15.3
82.79987	17.4
98.83018	18.4
99.95233	17.8
102.06062	16.6
103.46627	17.7
148.28542	18.4
203.92815	19.9
214.95253	23.8
299.81967	20.5
345.15933	21.7
373.42996	19.1
469.33249	100.0
484.95514	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	537.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59171	35.7
53.64384	39.6
59.57791	36.6
61.98847	100.0
62.86185	39.5
97.73608	47.5
111.07791	42.0
155.94095	44.0
171.90048	43.8
183.79665	43.7
249.12602	45.2
256.71265	44.3
282.18460	45.1
296.79065	54.8
397.24576	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3361
Annotation	Gelliodesxanthin
Peak:m/z	Relative Intensity
50.97897	14.2
53.81398	16.9
54.29435	14.1
54.82805	18.4
58.62015	14.4
59.01392	69.4
59.03724	14.7
61.98835	100.0
69.85358	16.6
84.63043	19.0
94.03879	17.2
102.56490	18.4
103.42542	20.0
121.11840	16.8
130.66907	17.5
132.31686	19.7
177.36469	19.8
196.52586	19.1
241.45172	18.1
477.35248	23.1
537.32843	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35454	5.8
52.24853	5.8
53.05816	5.3
59.01395	10.5
61.98848	37.6
73.02242	5.4
78.95914	24.9
79.30757	6.1
108.22979	5.8
172.25954	7.1
182.50682	6.0
183.64644	5.9
189.98657	6.3
245.56638	6.6
255.23346	100.0
268.35703	7.2
303.45200	9.7
383.84308	7.3
401.26315	6.8
480.31161	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	100.0
60.01716	0.3
61.98845	3.4
64.35618	0.4
65.00359	0.4
71.01396	0.8
78.95881	1.3
83.05022	0.4
93.03460	2.1
98.44765	0.4
102.68432	0.4
107.01390	0.9
119.05042	3.6
121.02962	6.7
123.00613	0.3
135.04530	2.0
137.02461	0.4
151.00415	4.9
152.99591	1.8
163.03986	0.6
164.61769	0.4
165.01926	2.0
173.04579	0.4
177.02045	0.5
197.11838	0.8
268.00357	0.4
271.06155	7.4
287.73672	0.4
477.32568	0.5
508.87454	0.4
537.14105	2.2
537.24805	3.4
557.44598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01913	0.2
57.03466	0.2
58.77063	0.2
59.01387	3.1
61.98825	0.3
69.03474	1.2
71.01385	1.5
73.02964	0.5
75.00885	1.1
83.01388	0.3
84.88428	0.2
85.02970	0.9
87.00872	0.4
88.98798	2.5
89.02469	1.0
92.10796	0.4
93.03497	1.1
95.01392	0.3
96.96025	0.8
97.02968	1.0
99.00877	0.3
101.02456	1.0
107.01440	0.4
108.02191	1.0
109.02950	2.5
109.83920	0.2
113.02450	0.4
117.03433	0.2
119.03532	0.3
119.05032	7.0
121.02962	100.0
122.03332	1.0
123.00854	2.1
123.04556	0.3
124.01656	4.8
125.02441	8.3
134.03703	0.2
134.14023	0.2
135.02982	0.4
135.04553	1.1
137.02426	0.9
137.09758	0.3
149.02434	0.8
149.99600	7.9
151.00328	0.4
151.03993	0.3
152.01167	0.3
153.01962	2.1
155.03516	0.2
155.10802	0.3
161.02393	0.5
163.03995	3.5
164.04794	0.9
165.12799	0.5
168.00664	11.4
169.01396	1.1
173.04552	1.0
175.00288	0.7
177.03999	0.3
183.10266	1.1
183.13989	1.5
190.02785	1.5
191.05615	1.5
205.05038	1.0
223.06021	0.3
227.12939	1.2
236.42821	0.2
279.30499	0.2
298.50214	0.3
313.05637	0.3
331.06674	2.0
375.16852	0.4
389.25391	0.4
419.09756	0.8
537.12543	13.8
537.20837	0.7
537.33179	2.0
538.12860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42192	11.5
59.01396	77.6
61.98841	100.0
65.67317	13.8
78.95895	18.5
79.75052	14.8
88.66086	14.9
88.99131	14.5
92.47002	16.2
97.38594	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	537.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90812	2.8
58.46650	2.9
59.01390	87.5
61.98840	94.2
65.16131	2.5
66.23231	2.5
66.80471	2.8
69.03476	3.1
71.01392	46.0
72.99335	3.0
73.02958	17.0
74.63818	3.0
77.00114	2.6
78.48514	2.8
80.95576	2.9
85.03012	4.7
89.02453	100.0
92.55190	2.7
96.96056	3.0
97.02954	5.0
99.00900	17.2
101.02461	18.9
113.02460	4.4
115.03951	3.3
121.02979	20.2
125.02427	28.1
131.03523	5.5
137.02417	5.1
149.04584	37.0
173.04495	4.7
183.13913	15.5
191.05609	11.8
233.06673	12.6
271.06082	22.3
276.04800	3.5
293.08847	44.1
310.00623	3.3
353.39700	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73648	0.3
53.87906	0.4
55.01883	6.3
57.03460	5.2
58.00602	2.6
59.01390	100.0
62.32172	0.4
62.62424	0.4
63.28005	0.4
63.60272	0.4
69.03470	1.0
71.01387	79.5
72.99317	4.0
73.02950	21.1
75.00893	1.0
78.91891	3.4
83.01394	11.2
85.02961	29.7
86.00079	0.4
87.00890	6.6
89.02449	70.8
93.03453	2.4
95.01398	6.7
97.02946	3.0
99.00890	6.3
101.02450	62.2
102.02779	0.6
111.00917	1.0
113.02457	32.6
119.03507	29.4
121.02933	4.1
123.00894	0.5
124.01666	1.0
124.72204	0.4
125.02436	8.6
129.01988	0.5
131.03514	7.9
137.02451	1.9
141.02017	0.5
143.03517	6.2
149.04538	2.7
149.99574	2.4
159.02995	2.7
161.04579	21.0
168.00687	3.0
173.04561	11.0
179.05638	47.1
221.04752	0.8
221.06715	14.8
295.08182	3.0
315.18143	2.0
327.75278	0.5
477.23520	71.2
478.23532	0.7
536.31158	0.7
537.16309	4.8
537.32068	3.5
561.16315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
60.01720	1.0
61.98843	2.6
71.01404	0.3
71.80800	0.2
78.95930	1.0
80.19720	0.2
80.48068	0.2
83.01417	0.5
92.10155	0.3
93.03484	1.3
99.75601	0.2
107.01415	0.9
119.05041	2.8
121.02956	5.8
123.08176	0.3
135.04523	1.2
137.02460	0.3
138.98662	0.2
149.06087	1.5
151.00381	2.9
152.99632	1.7
160.01665	0.3
177.01932	0.3
197.11778	1.0
219.13872	0.2
244.57321	0.2
249.56294	0.2
271.06189	4.0
309.20703	0.5
508.16840	0.2
537.24640	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06083	0.3
57.03467	0.4
58.45917	0.3
59.01386	2.7
60.82579	0.3
60.99314	19.0
60.99623	0.7
67.74186	0.3
71.01377	0.8
75.37668	0.4
85.02956	4.3
87.00898	0.4
88.98806	100.0
89.02440	2.0
92.10880	0.3
101.02428	0.6
104.21987	0.3
116.77724	0.4
121.02938	0.5
129.01903	0.6
135.04509	0.6
155.10748	0.4
191.05554	1.4
212.07651	0.3
537.17993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33799	0.5
52.46472	0.4
52.59907	0.4
55.01889	0.7
57.03453	5.7
58.00598	0.6
59.01389	11.6
61.98848	0.5
69.03455	6.8
71.01382	12.6
72.99310	1.0
73.02962	3.7
75.00873	37.2
75.13596	0.5
83.01408	2.6
84.02161	0.9
85.02953	12.0
85.03408	0.9
87.00877	10.1
87.04514	2.2
89.02451	2.8
95.01393	0.8
97.02954	10.0
99.00896	6.2
101.02442	2.9
106.58067	0.6
111.00900	0.7
113.02381	1.9
117.33292	0.5
127.22826	0.5
129.01953	11.7
135.08171	1.1
137.09741	12.3
139.11284	0.8
141.01982	5.5
155.10800	80.5
159.02995	3.7
169.12341	2.6
177.04057	33.5
179.10907	0.5
181.08713	3.3
191.05577	0.9
199.09790	22.8
213.11353	1.3
241.10890	5.0
316.94876	0.5
341.12604	1.0
359.13501	14.0
377.14609	2.0
468.79391	0.6
489.46442	0.6
501.16400	9.6
537.18323	100.0
538.19061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47591	0.1
54.37452	0.2
59.01391	3.7
60.47963	0.1
61.98838	44.4
62.28801	0.2
62.98540	0.2
63.02401	4.6
65.00327	9.3
71.01397	0.2
83.01392	6.5
89.19923	0.2
92.10159	0.4
92.45684	0.2
93.03459	10.3
94.97576	0.2
94.98253	0.2
97.02950	0.3
107.01401	17.9
108.02204	0.8
109.02995	0.3
119.05031	51.9
120.05376	0.2
121.02946	2.1
125.02457	1.4
131.01358	0.4
133.02985	0.3
135.04549	0.4
136.01694	0.4
137.02454	0.3
143.05045	0.4
145.02992	1.3
150.03296	0.2
151.00392	55.5
161.06067	0.3
164.01157	0.8
165.01933	3.1
169.01456	2.9
173.04512	0.2
175.00369	1.0
177.01959	8.8
180.62076	0.2
185.06110	0.9
187.04019	0.5
191.05583	0.2
193.01407	0.5
199.52983	0.2
199.69289	0.2
227.07201	0.9
229.05043	0.2
271.06168	100.0
272.06540	0.7
313.07248	1.2
360.12897	0.2
508.28140	0.2
537.14270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84112	0.3
54.01910	0.3
57.03465	0.5
58.76211	0.3
59.01388	2.4
67.42142	0.4
71.01385	4.0
73.02945	0.8
78.95929	1.4
81.03481	0.4
82.48688	0.4
82.71806	0.3
83.01412	0.3
85.02951	3.9
87.00871	0.8
89.02458	0.7
89.03838	0.3
93.03444	0.8
95.01405	1.4
96.96018	3.7
96.96954	1.6
101.02458	2.1
107.05042	0.5
108.02186	86.5
108.14678	0.3
109.02965	25.6
113.02446	1.8
121.02956	1.7
123.00897	0.9
123.04533	3.4
129.01947	0.9
133.02982	0.5
135.04486	0.5
137.02429	0.4
141.17606	0.4
151.04071	2.6
152.01172	74.2
153.01961	21.8
153.05655	0.4
161.04581	1.8
163.03963	0.9
165.01915	2.0
179.05560	0.5
191.05646	1.9
224.39143	0.3
301.83331	0.4
315.07288	100.0
316.07596	0.5
326.99506	0.5
546.92010	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95013	0.2
56.19865	0.2
59.01395	6.2
60.01733	0.5
61.68189	0.2
61.98845	100.0
67.24646	0.2
95.90020	0.2
97.04057	0.2
121.02976	0.4
125.60352	0.2
152.99559	0.2
193.16154	0.2
194.16356	0.3
197.72847	0.2
267.15988	0.9
268.16470	0.4
296.26944	0.2
409.22910	0.2
417.65723	0.3
501.31570	0.3
502.32782	0.9
535.32898	1.1
536.33051	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16937	1.5
58.51635	1.6
59.01385	23.7
61.98838	100.0
64.34230	1.9
65.51148	1.7
71.07802	1.8
93.03431	6.8
107.01447	2.1
119.05008	4.5
121.02970	2.6
135.04555	2.6
136.49654	2.2
137.02501	3.5
191.05663	2.3
194.18661	2.3
236.99847	1.7
271.06128	7.5
352.70865	1.9
502.32144	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.5
60.99311	19.0
70.91576	0.2
71.01381	2.2
73.02934	0.5
75.00857	0.5
79.67900	0.2
85.02930	0.6
88.98802	100.0
89.02432	1.6
97.06596	0.2
99.00940	0.3
101.02419	0.5
108.02180	2.4
109.02972	2.1
129.90105	0.3
149.04562	0.3
152.01190	3.1
153.01935	1.1
155.10764	0.3
168.40253	0.2
169.45654	0.2
179.05521	0.3
179.07288	0.3
184.50711	0.4
191.05473	0.5
193.40173	0.3
201.11365	0.5
225.15019	0.4
227.03499	6.2
228.11664	0.3
240.57448	0.3
255.02986	9.3
256.03589	0.6
284.00253	0.4
284.03290	8.0
285.04074	2.3
290.69550	0.3
447.09378	10.7
537.14893	2.7
537.29468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10617	0.4
53.08714	0.3
56.57658	0.4
57.88478	0.5
58.55151	0.3
59.01394	2.1
60.88606	0.4
71.01402	1.1
85.02929	0.7
88.64112	0.4
100.34147	0.5
101.02460	3.1
112.72692	0.4
157.25134	0.5
163.06122	3.9
311.29626	100.0
312.29907	0.8
315.35370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4017
Annotation	Ekeberin D5
Peak:m/z	Relative Intensity
52.07755	0.3
54.36120	0.3
58.29420	0.3
58.74122	0.2
59.01389	100.0
60.01727	0.6
61.98841	3.7
63.34199	0.4
63.51605	0.3
86.69832	0.3
87.81058	0.3
125.75652	0.3
139.05551	0.4
141.09656	0.3
155.79134	0.3
171.94289	0.3
189.70648	0.3
222.85696	0.3
332.63342	0.3
475.37390	0.8
532.82355	0.4
535.40051	3.0
547.87708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3288
Annotation	Dihydrosanjoinine A
Peak:m/z	Relative Intensity
59.01388	77.6
61.98848	17.3
69.93140	3.4
75.00874	80.2
75.46257	3.2
77.77638	3.9
84.56656	3.6
91.53974	3.5
97.80929	3.9
121.02967	8.8
133.31255	3.9
162.70738	3.4
220.32927	3.5
282.86057	4.1
356.88498	3.9
459.30792	25.7
535.32843	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	535.3306
Annotation	Dihydrosanjoinine A
Peak:m/z	Relative Intensity
52.45034	0.8
59.01389	100.0
61.98829	11.3
75.00876	19.8
77.15202	0.8
86.17186	0.8
91.27125	0.9
93.03442	0.9
93.59010	0.8
121.02956	6.3
191.14383	1.3
259.69241	1.1
311.22604	1.3
429.29770	1.7
459.31348	7.0
462.92053	1.0
475.30890	1.8
501.32236	3.8
517.31500	1.4
535.32831	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	535.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05603	9.4
59.01390	84.2
61.98846	100.0
65.57703	11.3
203.84163	13.1
210.91261	11.7
314.92917	10.5
419.43796	13.7
472.35300	21.4
473.35535	54.7
474.35901	13.9
475.36325	12.3
484.91382	12.4
561.45380	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	535.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.2
61.98845	100.0
63.71305	6.3
76.53123	7.1
92.10031	14.6
108.71040	7.5
160.47823	7.3
177.21651	6.3
425.61987	7.5
432.10095	8.2
472.35693	13.0
473.35526	26.0
474.35770	26.8
475.35519	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	535.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43727	0.2
55.01880	1.2
57.03449	1.3
59.01387	48.6
61.98828	1.1
69.03447	0.3
71.01382	10.6
72.99318	1.4
73.02944	4.8
75.00870	0.4
83.01393	2.8
85.02961	8.1
86.00099	0.5
87.00900	0.6
89.02467	1.4
93.03462	0.6
95.01382	1.1
97.02950	0.4
97.06594	0.3
98.64370	0.3
99.00899	1.9
101.02438	11.5
105.29823	0.3
111.00910	1.3
113.02467	5.2
116.92864	0.7
121.02958	100.0
122.03315	0.6
123.08160	1.7
125.02441	0.3
129.01982	0.4
135.04544	2.6
137.02466	0.3
141.09227	0.3
143.94002	0.4
145.02994	0.4
159.03030	1.6
161.04565	1.3
171.13922	1.1
173.04572	1.4
177.01894	0.4
178.33322	0.3
183.13826	0.4
269.10269	0.6
277.21796	3.1
286.46280	0.3
295.22806	1.3
355.24908	0.5
362.19482	0.6
373.25983	1.8
413.14514	0.4
439.26889	2.0
457.28238	3.2
475.29187	2.6
483.15039	0.3
511.38937	0.3
521.44568	0.3
535.31360	83.8
536.31793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65241	0.5
55.01889	2.6
56.36872	0.4
57.03458	4.2
58.00613	0.5
59.01391	71.1
60.99327	1.0
61.98835	0.8
64.65887	0.5
69.03490	0.5
70.05801	0.5
71.01389	17.8
72.99327	0.6
73.02960	6.1
75.00864	0.9
83.01415	3.5
84.39148	0.5
85.02977	8.2
87.00916	0.8
88.98814	7.3
89.02455	9.6
89.84180	0.5
91.01941	0.5
93.03473	3.9
95.01390	1.3
96.96041	1.1
97.06606	0.7
99.00902	2.9
101.02451	14.8
108.02184	2.3
109.02949	2.4
113.02487	7.5
116.92881	5.9
117.03509	0.9
119.03514	3.4
119.04997	0.6
121.02950	6.9
123.04514	1.2
123.08183	1.0
125.02446	0.8
125.09717	0.6
127.11336	0.9
129.02011	0.5
131.03522	0.7
133.02946	0.9
135.04547	1.3
137.02448	2.2
137.09752	0.8
145.02982	3.6
145.05072	0.6
152.01219	1.1
153.01964	0.9
155.10783	1.0
161.02480	1.2
161.04617	0.8
163.06203	0.7
165.12909	0.7
171.10291	1.2
173.04591	6.5
179.05612	0.8
183.13939	5.1
185.11853	2.2
191.05649	2.5
211.07910	0.5
227.12909	0.9
277.21631	1.3
284.03378	0.6
285.04306	0.6
295.08328	2.2
314.17621	0.6
355.17410	0.7
355.24994	2.2
371.24548	0.8
373.26028	33.3
387.27615	0.7
457.28171	1.3
475.22577	1.1
475.29376	3.6
535.31415	100.0
536.31659	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36927	0.3
56.88424	0.3
57.03452	0.4
59.01395	100.0
59.11813	0.2
60.01745	0.3
61.98842	11.4
67.07761	0.3
71.01402	0.4
73.28506	0.3
77.55836	0.3
78.95929	1.4
84.68159	0.3
85.02941	0.4
88.02070	0.3
91.23471	0.3
93.03462	1.5
94.25382	0.3
94.58497	0.3
98.53585	0.3
108.02189	5.6
109.02496	0.7
116.05061	5.1
117.05400	1.4
119.05022	0.6
121.02956	18.8
122.03289	0.4
135.04495	0.6
137.02449	0.4
139.17453	0.3
152.01196	0.4
152.99594	1.7
165.01933	0.4
173.04553	0.3
187.07579	0.3
197.06107	25.9
198.06445	21.7
307.18997	0.3
366.93179	0.3
453.30124	0.5
499.29196	0.4
501.32425	2.0
528.63928	0.4
535.23187	2.3
535.32764	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59831	2.7
59.01395	49.8
61.98842	100.0
61.99158	3.3
67.29057	2.9
67.83102	3.1
92.65822	3.6
102.98801	2.9
141.06729	6.2
208.54482	3.5
231.39514	3.2
249.73915	3.2
278.22073	3.8
368.56927	3.6
488.34909	13.9
489.35400	27.1
499.30066	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	535.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38190	0.2
55.01886	1.9
55.32509	0.3
57.03456	1.8
59.01391	59.5
61.98847	0.3
71.01392	11.8
71.95901	0.3
72.99299	0.3
73.02950	5.5
76.22631	0.4
83.01408	3.3
85.02970	8.9
87.00895	0.6
89.02462	1.4
93.03450	4.7
95.01392	1.3
97.06594	0.4
99.00905	2.5
101.02456	12.8
107.83054	0.3
111.00901	1.7
111.04552	0.7
113.02456	5.6
116.92887	0.3
121.02962	0.6
123.08163	1.6
137.02501	0.7
137.09770	0.6
141.01897	0.4
142.91978	0.3
143.03506	0.4
155.03526	0.8
155.10829	5.0
159.02963	0.7
161.04556	0.8
171.13919	0.5
173.04575	14.9
183.13976	0.8
199.09721	0.8
277.21793	4.1
295.22726	2.2
355.25330	0.5
362.19559	1.7
373.15179	9.1
373.26056	1.9
407.08813	0.4
439.27045	0.8
457.28122	3.3
475.29181	2.7
535.31348	100.0
536.31537	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16097	0.2
59.01386	100.0
60.01724	0.3
61.45648	0.3
61.98835	2.7
66.61362	0.3
71.01398	0.6
75.30546	0.2
83.28288	0.3
92.10876	0.7
93.03445	0.4
96.96060	0.3
101.02433	0.3
101.11394	0.3
108.02155	0.4
121.02963	7.1
135.04535	1.4
138.39748	0.3
160.76340	0.3
177.40176	0.3
246.69757	0.3
279.67566	0.3
360.32843	0.4
429.77908	0.3
475.25540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00330	0.2
55.01904	0.5
56.38774	0.2
57.03473	1.9
59.01398	14.2
60.99325	0.4
61.98849	3.7
67.01908	3.3
69.03473	0.9
71.01396	8.3
72.99331	0.8
73.02950	2.2
74.90305	0.2
81.03496	0.4
83.01411	1.2
83.05064	1.0
85.02963	3.1
87.00887	1.0
88.98802	0.8
89.02454	2.3
93.03466	25.5
95.01435	0.3
96.96036	0.4
99.00893	0.8
101.02451	3.9
109.02984	0.9
111.00902	1.4
111.04529	6.1
111.08169	0.3
113.02460	2.0
116.92869	1.1
117.03462	0.2
121.02950	0.9
123.08115	0.2
125.09737	0.5
127.04001	0.3
127.11246	0.2
128.39159	0.2
129.01971	0.2
133.03000	0.3
135.04559	0.4
137.02458	6.0
137.09764	2.2
145.02994	0.8
145.05151	0.3
146.03217	0.2
147.18336	0.2
155.03525	5.6
155.10803	24.9
161.02455	0.9
165.12971	0.4
171.10301	3.1
173.04573	100.0
175.82866	0.2
183.13902	2.6
185.12079	0.2
191.05736	0.3
197.03294	0.2
199.09801	9.3
227.07057	0.3
227.12936	0.4
327.21954	0.3
355.24988	1.7
373.15131	51.0
373.25827	10.4
374.15527	0.3
435.08405	0.2
517.30188	0.3
535.24933	1.6
535.31372	46.0
552.15259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03474	0.5
58.00622	0.6
58.53337	0.4
59.01385	13.2
61.98837	2.9
69.03482	0.6
71.01384	9.2
72.99312	0.8
73.02959	2.6
75.00874	0.6
83.01405	2.1
84.95111	0.6
85.02942	4.3
87.00890	3.1
88.98809	0.8
89.02466	0.9
93.03468	6.4
95.01395	1.4
96.95995	0.7
97.06590	0.6
99.00887	1.1
101.02468	5.7
101.46790	0.5
108.02209	0.7
109.02985	0.9
113.02476	2.8
116.92870	2.6
119.04997	0.7
121.02958	100.0
123.04552	2.3
135.04529	14.7
137.02472	8.5
145.02951	2.2
155.10852	0.8
161.04539	1.3
162.36494	0.5
163.04002	2.5
173.04564	6.2
191.05617	1.4
203.65172	0.6
269.10370	3.9
285.03906	0.6
327.08875	0.7
356.58051	0.6
373.15063	1.0
373.25952	1.2
413.14441	0.9
470.04602	0.6
475.29376	1.1
534.31390	0.8
535.18347	2.8
535.32800	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	535.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32555	0.3
55.01884	0.8
57.03461	1.7
58.00598	0.4
59.01389	30.8
60.18736	0.3
61.98841	2.5
69.03478	0.5
71.01382	9.9
72.99319	0.7
73.02956	3.5
75.00881	1.5
83.01385	3.0
84.95159	0.4
85.02948	5.5
87.00889	2.3
88.98814	1.5
89.02448	4.1
93.03466	2.6
95.01382	0.6
96.96038	2.4
99.00880	2.0
101.02451	9.1
111.00888	0.7
111.72565	0.3
113.02457	3.8
116.92879	1.4
117.03436	0.5
119.03519	0.7
119.05036	0.9
121.02960	100.0
123.04490	0.5
123.08196	0.7
125.02448	0.5
135.03014	0.4
135.04539	7.4
137.02405	0.7
145.02998	0.5
155.10817	0.5
159.03004	0.5
161.02460	1.6
161.04555	1.7
163.04062	0.8
173.03125	0.4
173.04596	2.7
177.01945	0.4
177.19197	0.4
179.03537	0.6
185.11848	2.3
191.05635	0.4
211.13441	0.7
211.69615	0.4
212.13786	0.4
215.12885	1.2
243.02847	0.4
269.10315	0.8
277.21716	1.4
343.25021	0.5
355.24866	3.0
358.13904	0.5
373.15530	0.7
373.25986	7.3
475.29227	1.8
535.22266	6.0
535.31335	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.1
57.03434	0.3
59.01389	9.8
59.82672	0.3
61.73106	0.3
61.98846	0.5
65.51999	0.3
71.01383	6.8
72.99287	0.3
73.02947	2.2
83.01413	1.7
85.02941	3.6
87.00889	0.5
88.98785	0.4
89.02459	2.4
91.01906	0.4
93.03451	1.3
95.01383	0.5
96.96053	0.6
99.00885	9.4
101.02439	4.5
108.02186	8.4
109.02979	1.9
113.02472	3.6
116.92895	2.6
117.92895	0.4
119.03511	3.0
119.05003	1.5
121.02959	100.0
122.03319	0.5
125.02456	0.5
131.03468	0.4
133.02995	0.3
134.03729	0.3
135.04538	37.9
137.02441	0.7
143.03471	0.5
145.02934	1.9
147.03038	0.8
147.04582	0.6
152.01138	4.2
153.01949	1.6
155.76978	0.3
157.42606	0.3
160.01715	1.3
161.02441	0.4
161.04552	3.7
161.31596	0.4
163.04025	8.1
169.12459	0.3
171.10287	0.4
171.13829	0.3
173.04538	1.5
175.03973	1.3
179.05690	0.6
191.05630	1.4
193.05098	1.9
211.06091	1.2
223.06123	5.5
237.53130	0.3
283.08264	3.9
292.93512	0.3
293.72409	0.4
373.25989	1.4
413.11105	1.3
419.09872	5.7
477.43439	0.4
535.31519	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	535.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51524	0.1
55.01891	0.6
57.03456	1.6
58.00599	0.2
59.01387	11.6
60.99330	0.4
61.98835	4.3
67.01893	3.6
69.03467	1.1
71.01385	7.4
72.99308	0.7
73.02948	2.2
81.03480	0.8
83.01419	0.9
83.05042	1.5
84.95133	0.2
85.02969	2.0
87.00876	1.3
88.98830	1.1
89.02447	2.2
92.10065	0.4
93.03458	25.3
95.01380	0.3
96.96031	0.3
97.02955	0.2
99.00905	0.9
101.02454	3.2
103.74251	0.2
108.02156	0.3
109.02975	0.8
111.00910	1.3
111.02106	0.2
111.04529	5.6
111.08167	0.2
113.02437	2.2
116.92879	1.2
119.03517	0.2
121.02958	1.0
125.02451	0.2
125.09734	1.0
127.04035	0.3
127.11305	0.4
129.01904	0.2
133.02988	0.8
135.04552	0.4
135.08197	0.2
137.02446	6.6
137.09708	2.3
141.81784	0.2
141.97980	0.2
145.02994	0.9
145.05093	0.3
146.03345	0.2
155.03523	6.3
155.10797	29.0
161.02466	0.9
161.04501	0.2
165.12843	0.4
171.10280	3.6
173.04564	100.0
174.04866	0.3
179.46169	0.2
183.13907	3.1
185.11726	0.2
191.05707	0.3
199.09792	9.8
227.07083	0.3
227.12943	1.1
277.21747	0.2
307.10434	0.3
327.21930	0.4
335.07916	0.2
337.24344	0.2
355.24936	2.2
373.15112	52.4
373.25827	10.9
374.15387	0.2
475.21933	0.2
475.29089	0.2
517.30298	0.7
535.31384	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96935	1.3
55.01898	3.6
57.03472	7.1
59.01390	60.5
61.98849	5.7
67.01948	2.1
71.01385	44.5
71.01720	2.1
72.99323	3.4
73.02948	13.7
75.00886	14.9
76.08797	1.4
83.01411	2.1
83.69836	1.6
85.02957	19.3
87.00864	2.2
89.02450	20.2
91.01896	100.0
92.10747	2.9
93.03464	11.2
95.01424	2.2
96.96022	6.5
99.00885	3.6
99.92591	9.9
101.02448	22.4
107.05045	47.5
108.02194	7.0
109.02959	46.2
109.03681	2.0
109.06584	1.8
111.64880	1.4
113.02455	12.0
115.00386	3.0
116.92870	10.6
119.03516	6.6
119.05044	6.2
121.02960	49.9
123.00879	1.5
123.04535	1.9
125.02481	2.3
128.08882	1.6
133.01456	3.8
134.03760	11.0
135.00876	38.1
135.01851	2.2
135.02051	2.4
135.03003	31.5
135.04546	8.3
136.07663	1.9
137.02475	2.9
140.59901	1.6
149.06168	1.5
151.03970	11.0
152.01181	9.2
153.01944	49.3
153.05513	2.0
160.01688	7.5
161.04677	2.4
161.06070	1.7
163.03990	6.7
168.00677	2.6
169.01366	2.3
173.04507	2.4
175.03993	6.9
176.04726	2.9
177.03983	2.1
178.99879	89.9
179.03416	1.9
179.05629	2.1
183.13942	1.8
191.05618	13.4
191.07133	3.5
192.05988	2.0
193.05002	8.8
197.00932	18.1
211.07831	5.3
235.06178	3.5
249.92154	1.8
255.03137	2.2
314.09634	1.8
373.12988	3.0
373.26019	2.3
419.09836	27.1
475.22354	2.0
475.29343	3.8
486.29413	2.0
535.10718	52.9
535.27771	26.9
535.32648	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	534.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81864	0.4
59.01392	4.2
59.63842	0.4
60.01739	0.4
60.61760	0.4
61.98837	100.0
63.31738	0.4
71.39001	0.4
86.47276	0.4
88.67042	0.4
129.46454	0.4
178.95891	0.4
214.85159	0.5
331.52008	0.4
488.34500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82780	0.2
59.01383	6.8
59.33206	0.2
60.01725	1.3
61.01829	0.4
61.32413	0.2
61.98834	100.0
95.59045	0.3
102.51475	0.2
132.70776	0.2
255.89853	0.3
316.90051	0.2
392.37189	0.3
402.82184	0.2
472.35144	1.0
473.35498	0.4
474.35556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28106	1.4
58.25920	1.8
59.01386	14.0
59.63996	1.7
68.33043	1.6
69.03541	1.5
71.01412	9.4
73.02969	1.9
83.01414	3.3
84.98937	2.0
85.02952	1.9
87.00909	1.8
89.02474	4.4
93.03464	12.9
96.96013	15.0
99.00887	4.0
101.02477	3.0
105.76051	1.8
109.02983	11.8
113.02455	3.0
114.38829	1.8
115.00411	2.8
116.92874	8.4
119.05029	3.3
119.66904	1.7
121.02950	6.7
121.06598	2.7
129.05589	2.6
133.02893	2.9
135.04581	7.3
137.02472	20.4
145.02986	2.4
147.04539	4.5
148.05312	3.8
149.06107	100.0
161.02495	7.4
161.06104	1.8
163.04045	7.1
165.01945	2.7
165.05569	3.5
174.03297	2.4
175.04002	16.1
177.01962	10.5
179.05783	2.2
191.04021	2.7
191.05661	21.0
193.05070	15.1
219.03043	26.9
233.04524	9.2
237.04128	50.1
244.14149	1.8
259.02484	2.2
277.03769	1.8
310.55539	1.8
313.09351	7.7
319.04672	3.2
337.05783	44.3
381.08527	2.9
399.09659	2.4
418.84882	1.9
471.81039	2.1
481.10007	7.6
499.11044	37.8
499.19272	9.2
535.08893	2.5
535.15961	2.3
535.63239	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	12.4
60.01720	0.7
61.98839	100.0
68.62891	0.6
77.24071	0.5
90.26015	0.7
93.03495	3.0
121.02959	3.3
135.04543	1.5
137.02480	2.4
167.58118	0.6
191.05673	0.6
341.07193	0.7
341.11154	0.6
343.43066	0.6
375.54666	0.6
474.33398	0.9
534.31195	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09426	0.5
59.01391	15.8
60.43747	0.4
61.98840	100.0
71.01372	0.6
78.95914	0.8
114.38502	0.5
120.66314	0.4
121.02954	2.4
123.35100	0.4
135.04553	0.8
152.99608	1.9
172.10693	0.5
209.41946	0.5
220.30666	0.5
230.43507	0.5
235.22668	0.5
247.16422	0.5
309.20776	0.9
310.20886	0.6
421.63455	0.6
459.23074	0.5
515.73816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21975	0.6
59.01387	46.8
61.98833	14.6
89.30008	0.8
108.46566	1.0
121.02947	1.9
128.92978	0.8
152.27695	0.8
207.06926	100.0
208.07599	2.1
212.96233	0.9
239.79489	0.8
243.57739	0.8
288.97064	0.9
397.86053	1.0
474.15637	33.2
534.31976	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1412
Annotation	Actinoplanone D
Peak:m/z	Relative Intensity
59.01410	3.4
61.98845	5.2
84.57489	0.7
92.10717	1.2
141.07079	1.5
146.02600	1.1
169.06607	7.9
197.06107	28.4
221.44044	0.8
223.06415	100.0
267.05408	46.4
268.06076	1.7
533.31592	1.5
534.14178	90.9
535.14862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54311	0.4
59.01395	9.0
60.15494	0.4
61.98838	24.8
63.53575	0.4
63.55013	0.4
71.01366	0.6
73.02946	0.5
93.03477	3.5
108.01466	0.7
108.02181	14.1
116.05074	14.1
116.05841	0.8
118.02995	3.3
121.02976	6.9
152.01184	0.8
152.99678	0.6
161.51909	0.5
173.04625	3.4
197.06119	100.0
198.06470	0.6
207.80786	0.4
224.07152	2.0
269.89935	0.4
305.28790	0.4
510.01825	0.5
515.30243	0.6
534.31494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3859
Annotation	3-Acetyl-24-epi-polacandrin
Peak:m/z	Relative Intensity
54.82883	1.4
58.36729	1.1
59.01389	100.0
59.53842	1.2
60.24623	1.1
61.98835	5.9
64.47097	1.1
67.37432	1.1
69.83393	1.2
77.70245	1.2
92.65984	1.4
105.14932	1.2
112.84753	1.3
113.90365	1.3
125.29865	1.4
141.61534	1.3
169.03755	1.5
175.82022	1.2
176.10051	1.3
204.58514	1.4
231.33521	1.3
257.38538	1.5
473.36453	9.2
533.38556	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	533.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
60.62490	0.5
61.98841	2.7
63.83990	0.6
76.57952	0.6
78.00516	0.6
92.66181	0.7
118.55622	0.6
487.34415	81.0
500.92307	0.8
533.34662	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	534.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66072	0.6
57.90343	0.9
59.01384	8.4
59.35431	0.8
61.98840	100.0
65.04005	1.2
67.01899	1.5
71.01402	6.0
73.02943	1.4
83.05086	0.8
83.18645	0.8
85.02971	1.5
87.00930	0.9
89.02473	1.4
89.05253	0.8
91.13964	0.8
92.10771	1.8
93.03463	62.0
93.10262	0.8
96.96040	1.9
109.03001	1.7
111.00876	1.0
111.04556	5.9
116.92856	13.9
117.92888	5.6
121.02959	69.8
127.31313	0.9
132.02083	1.1
133.02946	1.8
134.03746	18.2
135.04529	1.9
137.02457	64.0
149.06081	3.9
150.12103	0.9
155.03526	13.4
160.01666	15.4
173.04568	95.4
175.04018	13.9
191.05664	4.0
193.05078	17.2
197.05980	3.0
222.11990	0.8
295.08261	56.8
329.90207	0.8
334.07083	2.0
349.09323	35.9
376.92462	0.9
421.66660	0.9
471.13004	15.5
495.38834	1.1
533.30786	1.6
534.14105	1.5
534.31750	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	533.386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90179	1.2
67.20802	1.5
101.12755	1.5
129.35837	1.4
135.08148	2.3
150.06862	1.7
162.06870	42.0
163.07664	95.9
177.09215	20.8
178.09950	1.4
240.21159	1.5
303.16162	1.7
445.37387	2.3
446.37729	100.0
505.38904	7.2
533.38568	85.0
533.44849	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	533.3856
Annotation	3-Acetyl-24-epi-polacandrin
Peak:m/z	Relative Intensity
59.01387	100.0
61.98839	3.7
64.41657	0.7
65.13235	0.7
88.98810	7.5
182.17046	0.8
213.54234	0.8
257.92972	0.9
455.35400	1.1
473.36420	22.0
527.54395	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3857
Annotation	3-Acetyl-24-epi-polacandrin
Peak:m/z	Relative Intensity
59.01389	100.0
60.46931	0.5
61.98846	0.7
62.28115	0.7
62.76171	0.4
65.69231	0.5
67.74316	0.5
71.05064	0.6
88.38921	0.6
129.40225	0.7
174.63168	0.6
231.17609	0.9
251.20087	0.8
274.02856	0.5
334.28281	0.7
337.95084	0.7
347.26016	3.5
360.54498	0.5
373.27493	0.6
419.07425	0.6
438.68326	0.8
455.35034	0.9
471.34576	2.4
472.35324	0.6
473.36472	39.6
474.37283	0.8
533.38348	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27259	2.5
58.58958	2.2
59.01396	100.0
61.98842	13.1
62.44834	2.2
62.70651	2.4
71.01413	4.3
79.09414	2.2
85.02991	3.2
85.95923	3.2
87.00835	3.3
93.03471	10.1
101.02457	2.6
106.38641	2.6
108.36118	2.1
121.02963	22.9
126.96875	2.4
127.10411	2.7
135.04495	11.4
151.25229	2.7
158.32132	3.1
173.04555	14.6
175.92876	2.6
232.58505	2.5
267.06708	18.9
291.19687	2.6
310.21014	3.3
384.09662	2.5
439.28769	4.6
451.28665	14.4
469.29776	5.7
473.32483	3.5
533.31189	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	533.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26077	0.6
59.01394	100.0
60.49007	0.8
61.98842	5.1
71.01405	3.6
72.99307	0.7
73.23165	0.7
74.46690	0.7
85.02982	1.1
87.00883	1.1
89.02464	0.9
92.10116	2.0
93.03474	1.5
96.96021	1.8
101.02444	1.0
113.02491	1.6
116.07058	0.7
116.92860	3.2
119.05072	0.9
121.02956	40.2
135.04543	24.7
135.67775	0.7
137.02400	1.5
138.03128	0.7
161.04642	0.9
161.09723	0.8
163.04044	4.6
170.95540	0.7
191.05618	1.7
193.05103	1.0
199.40749	0.8
211.13536	0.9
223.06465	1.0
311.22226	1.0
489.32773	0.9
533.31171	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	533.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43229	0.9
55.01902	0.9
59.01397	100.0
61.98849	4.6
69.03482	6.3
71.01395	33.3
72.99318	1.2
73.02956	48.1
81.03458	2.0
83.01401	9.2
83.05077	1.0
84.42550	1.1
85.02977	2.7
89.02461	1.5
92.10084	2.4
97.02975	4.3
99.00869	1.4
101.02458	32.1
101.06076	1.6
111.72143	1.0
113.02462	11.3
121.02954	1.8
125.02461	4.3
131.03526	1.6
143.03526	4.7
155.03543	4.3
161.04523	4.2
203.05643	4.2
223.20775	7.9
269.21252	57.3
364.00909	1.3
473.33014	3.7
533.30194	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	533.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92847	0.3
59.01389	72.0
59.86221	0.3
61.98837	0.7
92.10867	0.6
92.65672	0.4
96.48888	0.3
98.64526	0.4
107.39452	0.4
108.03888	0.3
134.62444	0.4
144.84760	0.4
148.08168	0.4
188.06404	0.4
189.99577	0.4
288.67575	0.4
487.34378	100.0
488.34839	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
60.62490	0.5
61.98841	2.7
63.83990	0.6
76.57952	0.6
78.00516	0.6
92.66181	0.7
118.55622	0.6
487.34415	81.0
500.92307	0.8
533.34662	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	533.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12230	0.2
57.03460	0.7
59.01385	3.4
67.01908	0.8
71.01381	1.8
72.99324	0.4
73.02956	0.3
75.00877	0.2
81.03482	0.2
83.01433	0.2
83.05032	0.3
85.02962	11.3
86.42210	0.2
87.00886	5.5
88.71586	0.2
89.02448	0.3
93.03464	4.6
99.00920	0.4
99.04562	0.3
101.02465	0.3
105.01947	0.2
105.03471	0.8
105.30151	0.2
109.02969	1.5
111.00908	2.9
111.04530	1.8
112.98862	0.3
113.02411	0.3
115.00343	0.2
127.04039	2.3
128.58238	0.2
129.01961	0.7
133.02971	4.2
135.04564	1.6
137.02461	0.2
147.03006	0.2
155.03540	0.2
161.02452	0.3
171.03012	0.4
173.04544	2.8
177.01952	0.8
179.03519	0.2
179.05702	0.3
191.02130	3.0
191.05643	100.0
192.06018	0.4
215.05634	1.5
306.34293	0.2
317.81567	0.2
341.10999	0.8
343.39246	0.2
351.07281	2.9
353.08908	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	533.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84021	0.2
59.01389	100.0
61.98863	0.2
71.01376	0.3
85.02925	0.4
90.25043	0.2
96.95988	0.2
113.02499	0.2
121.02960	9.4
124.01344	0.2
124.79622	0.2
135.04538	6.3
163.04004	0.9
171.10289	0.2
209.01230	0.2
223.06134	0.2
233.51773	0.2
311.22360	0.7
533.31512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04145	0.1
51.33128	0.1
54.40872	0.1
55.05832	0.1
56.76485	0.1
57.01144	0.1
57.03465	0.2
59.01385	1.5
59.01657	0.1
59.87678	0.1
60.99301	0.1
67.01901	0.1
69.03468	0.2
71.01375	0.9
72.99313	0.2
73.02974	0.1
78.03800	0.1
81.03477	0.4
83.05042	0.3
84.83601	0.1
85.02959	9.0
87.00876	2.1
93.03459	2.8
93.04018	0.2
99.00897	0.4
99.04545	0.2
101.02494	0.1
109.02966	1.0
111.00902	0.4
111.04534	1.1
111.05239	0.1
115.84155	0.1
125.02560	0.1
127.04011	2.4
129.01955	0.3
137.02441	0.1
148.94981	0.1
155.03522	0.1
171.03040	0.7
173.04556	1.4
191.05647	100.0
192.05959	0.4
192.14647	0.1
299.51437	0.1
337.43185	0.1
341.38638	0.1
389.42542	0.1
418.15094	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.4
59.01392	5.4
61.98838	100.0
67.78874	0.3
71.01391	2.9
72.99302	0.2
73.02945	1.0
75.00883	0.2
77.15914	0.2
81.90974	0.2
82.95454	0.3
83.01395	0.3
85.02953	1.5
87.00888	0.3
89.02460	2.4
92.10139	0.3
93.03465	1.2
95.01390	0.3
96.96029	0.3
97.23541	0.2
99.00903	0.4
101.02456	1.4
103.00372	0.4
109.02969	0.3
112.35001	0.2
112.35964	0.2
113.02460	0.5
116.92872	1.1
119.03474	0.3
119.05038	0.3
121.02939	1.8
125.75732	0.3
133.10901	0.2
135.04529	0.5
137.02440	0.5
140.01917	0.2
145.02997	0.5
160.01665	0.6
165.05435	0.3
173.04524	1.4
175.04021	1.2
179.03613	0.2
191.05603	1.6
201.11292	0.5
211.35745	0.2
219.39450	0.3
272.40308	0.3
309.14932	0.3
311.22235	0.3
327.25540	0.4
328.56454	0.2
371.24387	0.4
385.25589	0.3
470.14938	0.4
533.31079	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0948
Annotation	Scutellarein 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.77573	0.4
57.03461	1.0
59.01390	10.3
63.02412	0.5
63.40027	0.4
63.73169	0.4
65.00339	0.5
66.21169	0.5
71.01383	5.5
72.99300	0.8
73.02980	1.0
75.00879	5.2
79.38470	0.5
82.77917	0.5
83.01373	0.8
85.02947	4.1
87.00878	2.3
87.04505	0.6
89.02451	3.0
93.03474	3.8
96.95998	1.3
97.99776	0.5
99.00877	1.2
99.04514	0.6
101.02453	2.8
105.01926	3.9
107.01416	2.9
109.02974	2.4
113.02460	1.4
116.92862	2.7
119.05043	2.3
121.02961	21.0
121.65366	0.5
122.03291	1.0
126.59727	0.6
129.01965	3.5
132.02197	1.2
133.02937	0.9
135.00887	2.5
135.03017	3.1
135.04477	0.8
137.02472	0.7
138.04497	0.5
143.03307	0.6
143.05023	1.1
145.02953	0.9
151.00374	2.5
159.03059	0.8
159.04451	0.9
161.02446	2.4
163.00380	3.0
163.03969	1.2
164.01184	0.6
173.04559	0.9
177.04088	4.8
179.10814	2.9
183.04552	0.9
185.06042	3.6
187.04095	4.6
189.05629	0.6
191.05630	4.7
195.04976	3.4
197.06110	0.9
199.03914	0.8
211.03998	4.1
213.05611	3.0
227.03539	40.2
229.05077	14.3
239.03519	3.0
241.05058	1.1
255.03030	86.7
256.03729	5.1
257.04623	6.9
267.03024	1.0
277.55264	0.7
283.02542	0.7
284.03302	92.7
285.04089	100.0
317.04984	0.5
327.08789	0.8
401.14438	3.7
475.45752	0.6
485.28806	1.0
489.10498	51.7
490.10507	0.8
506.16495	0.6
533.18243	8.6
533.31012	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	533.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02334	0.5
56.46322	0.4
57.03430	0.6
59.01396	5.5
61.98839	100.0
63.06002	0.6
71.01385	1.1
73.02939	0.5
74.04624	0.4
74.50022	0.5
85.02959	1.1
89.02454	1.1
92.65823	0.6
93.03465	0.8
101.02448	0.8
112.40319	0.7
116.92873	2.2
121.02974	4.6
137.02411	0.6
145.02927	1.1
154.30809	0.5
173.04518	0.8
183.13986	0.7
191.05545	0.9
265.89017	0.5
276.17941	0.5
279.35794	0.6
466.72778	0.6
533.31366	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3699
Annotation	Alisol E 23-acetate
Peak:m/z	Relative Intensity
50.84298	0.6
53.37289	0.5
59.01394	100.0
61.98840	3.3
62.54153	0.7
71.83241	0.6
80.09747	0.7
129.98523	0.6
157.12210	0.8
243.91991	0.9
469.33350	1.1
471.34848	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	532.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29033	0.2
67.26652	0.1
71.01388	11.8
71.90712	0.2
77.24336	0.1
84.04578	0.7
92.10883	0.2
93.03450	0.2
98.08443	0.2
115.00370	5.6
121.02956	100.0
128.03539	0.3
163.04062	0.2
177.04147	0.2
191.05585	1.0
200.48103	0.2
208.06139	0.2
229.01472	0.2
237.04060	7.1
250.07240	0.2
327.90915	0.2
339.05051	0.4
340.05423	0.7
340.25272	0.2
343.37671	0.2
435.66196	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52119	0.2
71.01395	17.5
73.52927	0.2
74.20650	0.2
87.00930	0.2
115.00381	9.6
115.01148	0.5
121.02962	100.0
134.99002	0.2
158.77687	0.2
194.74287	0.3
216.05620	0.2
237.04085	8.6
275.71848	0.2
322.78568	0.3
376.78281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	7.4
57.03459	4.8
59.01387	33.4
65.78645	0.8
71.01384	53.1
71.05026	0.7
72.05394	0.8
72.48277	0.7
72.99313	1.3
73.02949	22.8
75.00864	0.8
83.01398	11.9
85.02954	35.1
86.00144	1.2
86.34657	0.8
87.00882	3.0
88.04053	9.6
89.02448	1.2
92.10139	1.6
95.01398	3.7
96.96020	3.8
99.00880	8.8
100.65925	0.9
101.02447	46.7
113.02457	21.3
135.04376	0.7
143.03520	1.7
144.04559	1.0
146.08250	4.8
159.03018	5.2
161.04568	22.7
172.04094	1.5
174.05626	1.1
177.01904	0.9
182.29379	0.7
191.05649	5.3
218.04736	1.0
218.10403	5.9
269.10321	17.1
313.09354	100.0
341.61896	0.8
356.83572	0.7
387.99991	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	13.9
59.67654	0.3
60.01719	1.3
61.01812	1.4
61.98836	100.0
62.76305	0.2
71.01342	0.2
98.82129	0.3
206.00319	0.4
470.33813	0.6
471.34882	24.9
472.35208	64.0
532.30811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78848	0.2
53.40335	0.2
58.44888	0.2
59.01384	1.4
68.42440	0.2
74.51844	0.2
81.80504	0.2
85.04350	0.2
113.45544	0.2
130.52054	0.2
338.70453	0.2
407.33414	1.6
423.32739	0.2
425.35013	0.3
439.31570	0.2
471.34879	100.0
472.35233	2.4
473.36081	0.2
482.46512	0.2
531.30597	0.9
539.26166	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3695
Annotation	Pouogenin A
Peak:m/z	Relative Intensity
59.01385	0.4
59.21180	0.2
96.00368	0.2
113.28612	0.2
116.16177	0.2
117.73388	0.2
118.65605	0.2
148.36375	0.2
202.50890	0.2
304.41922	0.2
471.34888	100.0
472.35144	1.8
531.30591	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43760	0.2
54.78363	0.2
55.32206	0.2
59.01388	3.4
66.75877	0.2
69.83541	0.2
81.87514	0.3
90.42699	0.2
92.65669	0.2
102.80016	0.2
192.57333	0.2
197.86984	0.2
471.34866	100.0
472.35065	2.3
531.30505	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2971
Annotation	Ganoderic acid G
Peak:m/z	Relative Intensity
55.64006	5.9
59.01393	44.9
61.98846	26.1
72.99306	12.2
82.00163	5.5
250.50699	5.5
346.32565	5.7
353.64734	5.1
390.81015	7.0
439.28247	10.8
441.29767	7.2
474.22952	5.2
487.30832	100.0
503.33911	7.5
531.29865	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	531.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.51596	0.3
61.98840	0.8
80.46158	0.3
88.64059	0.4
91.31772	0.4
92.65591	0.4
144.97153	0.4
453.33682	2.1
471.31076	0.8
485.32816	0.4
531.36505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62368	0.5
55.60688	0.6
59.01392	100.0
61.98845	1.4
63.75160	0.5
72.62349	0.5
94.68218	0.6
104.07237	0.7
115.67625	0.7
147.57326	0.7
188.20709	0.7
206.21692	0.8
267.97104	0.7
427.32352	1.6
469.33023	2.4
471.30731	12.1
473.36618	5.2
485.32843	0.8
531.32202	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	531.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52964	0.2
54.82772	0.3
59.01397	3.6
61.98836	0.6
92.08092	0.3
122.88805	0.3
242.77640	0.3
248.54195	0.3
330.76300	0.3
471.34882	100.0
472.35150	2.0
475.26260	0.4
531.30347	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	531.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01473	0.8
58.00603	1.0
59.01390	42.5
61.98838	2.3
68.04751	0.8
68.07314	1.0
69.03483	0.9
71.01396	5.1
83.79424	0.9
85.02968	1.5
86.82035	0.9
89.02481	1.1
92.10036	1.7
95.59454	1.0
97.06558	1.1
101.02438	1.0
111.08171	14.6
113.02476	2.4
121.02983	1.7
127.07655	1.6
169.12347	4.5
181.12416	1.3
191.05620	0.9
197.11856	52.5
199.13472	3.8
199.89380	0.9
211.13431	7.5
263.20166	4.2
291.19672	9.0
309.20786	100.0
333.20786	5.3
427.28610	2.2
439.28546	6.4
471.31412	1.0
483.27582	8.8
487.30972	1.5
501.28671	8.4
531.29614	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	531.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	2.1
59.01387	65.3
61.16841	1.1
61.98844	6.3
65.16663	1.5
67.80379	1.3
69.51436	1.4
70.06280	1.3
71.01391	2.9
71.89239	1.4
79.33130	1.3
82.18266	1.3
85.02932	2.0
92.10799	3.3
101.02426	1.7
108.02341	1.7
111.08173	16.7
113.02475	2.4
121.02974	5.9
137.02388	1.7
169.12343	6.4
171.10284	1.8
173.04463	2.2
179.10858	1.7
197.11852	58.0
199.13463	1.8
211.13368	5.6
234.86124	1.5
291.19742	6.4
309.20782	100.0
342.38217	1.7
531.29932	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	531.188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82793	0.6
57.52269	0.6
59.01384	100.0
61.98836	1.3
69.08265	0.5
79.04131	0.6
83.26061	0.5
94.17407	0.6
96.88101	0.6
101.59573	0.5
121.02945	10.8
131.02544	0.8
206.41144	0.7
225.53380	0.6
226.23566	0.6
278.05084	0.7
345.13071	0.6
485.31958	0.6
531.33514	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88498	0.5
53.11758	0.5
57.03458	1.4
59.01387	28.6
59.93407	0.6
61.98830	1.2
63.14660	0.6
71.01387	16.0
73.02951	7.4
75.00875	3.4
83.01398	1.1
85.02959	9.2
87.00860	2.1
88.30523	0.6
89.02439	14.0
93.03460	2.6
96.96040	0.7
99.00876	0.6
101.02441	12.8
104.30759	0.6
106.04238	5.7
108.55917	0.6
109.02926	1.0
113.02444	5.1
116.92889	0.6
119.03500	3.5
119.05041	2.8
121.02966	6.6
123.00856	1.0
129.01945	1.0
135.04532	1.0
137.02493	1.1
161.02448	0.8
161.09741	37.3
161.11086	1.4
163.04022	2.0
163.06216	1.0
163.07642	3.8
177.04034	3.5
181.07193	8.4
186.66835	0.6
191.05630	3.7
191.10759	1.0
195.05093	2.9
204.07991	5.3
205.08727	79.2
206.09082	0.7
217.08806	1.0
219.10326	1.4
230.37367	0.7
247.09779	34.7
277.10818	2.9
307.11945	19.8
325.11444	0.8
349.13016	4.0
367.13916	4.5
369.22742	0.8
383.17200	0.8
487.18436	2.6
531.20978	100.0
531.27917	3.8
532.21155	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11268	0.3
55.01893	0.8
57.03463	1.5
58.00593	0.4
59.01386	25.8
61.98841	1.4
71.01385	15.1
72.99321	0.8
73.02959	3.7
75.00906	0.5
83.01405	2.0
85.02949	7.0
87.00892	0.8
89.02447	12.6
89.03004	0.4
91.37187	0.4
93.03462	1.4
95.01402	1.7
96.96005	6.1
97.02969	0.4
99.00888	0.4
101.02448	14.3
106.04266	5.0
106.93967	0.4
109.02992	1.7
113.02460	5.9
116.92847	0.5
119.03517	3.4
119.05029	0.5
121.02966	4.6
123.00874	0.5
123.04347	0.4
131.03482	0.9
135.04526	1.6
137.02435	2.5
155.48473	0.4
160.08940	1.5
161.04607	0.7
161.09734	47.5
163.04021	0.8
163.06113	2.4
163.07664	4.0
173.04597	0.6
177.04059	0.7
181.07175	6.6
182.02216	0.4
189.09280	0.5
191.05634	1.6
191.10828	0.7
203.10858	1.4
204.07973	3.3
205.08727	78.5
217.08672	0.9
219.10272	2.4
247.09789	29.5
277.10901	1.7
307.11945	13.4
325.11343	0.7
349.12991	1.9
367.14160	1.4
369.22928	0.7
531.20953	100.0
532.21429	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48951	1.0
57.03461	2.0
57.27637	1.0
59.01388	27.8
65.90134	1.0
70.02985	2.0
71.01384	49.6
71.01772	1.7
71.05025	20.6
73.02955	4.4
75.00902	5.3
83.01411	1.6
85.02960	10.9
87.00906	2.2
88.04051	25.3
88.04576	1.4
89.02450	2.1
93.03494	6.0
96.96028	7.3
99.04556	6.2
101.02438	2.9
103.00388	6.7
113.02488	5.4
116.92964	1.4
121.02949	10.2
135.04546	2.2
137.02466	8.5
145.05138	1.2
146.08255	100.0
161.04579	15.8
161.09778	1.1
163.03967	1.6
173.04529	2.0
179.10722	1.5
188.05673	6.9
191.05670	9.7
200.09323	11.4
218.10385	41.0
222.57846	1.4
223.13503	5.7
267.12338	5.6
289.24734	1.2
294.09900	8.8
348.10986	14.1
383.12167	1.4
415.16275	8.7
495.20001	28.1
531.17340	14.4
531.28723	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82670	0.7
57.03450	1.5
59.01397	34.6
61.75247	0.9
61.98856	2.0
69.03494	1.0
70.02981	1.2
71.01395	58.6
71.05038	20.8
72.00931	0.9
72.99322	1.7
73.02972	4.4
75.00907	3.9
83.01421	1.8
83.05016	1.2
85.02966	10.4
87.00892	1.4
88.04053	31.4
88.98895	0.9
89.02477	5.6
93.03474	6.8
96.80769	0.9
96.95475	1.1
96.95997	7.8
99.00922	3.8
99.04542	6.9
101.02444	6.8
103.00397	5.9
106.22961	1.0
109.02978	1.4
113.02449	7.0
115.00403	4.8
115.04060	1.3
116.07152	2.2
119.03620	0.9
119.05054	1.0
121.02943	11.6
129.01976	1.8
129.05606	1.2
133.01448	1.0
135.04570	2.0
135.11884	1.1
137.02467	5.9
145.03041	1.4
146.08258	100.0
147.04588	1.5
159.03178	1.2
161.04637	12.7
163.04111	1.1
165.04016	1.3
173.04517	4.2
179.10751	3.7
188.05714	9.5
191.05644	17.0
200.09283	10.7
218.10397	42.2
223.13524	8.2
267.12369	7.1
294.09888	10.5
298.32724	1.1
305.14630	1.0
348.10934	12.0
415.16293	9.6
495.19980	24.1
531.17981	11.8
531.28265	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	531.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51092	0.2
58.50272	0.3
59.01382	3.5
61.98829	2.0
71.01386	2.8
72.99303	0.5
73.02943	0.4
82.95405	0.4
85.02962	0.7
85.37924	0.3
87.00879	0.4
89.02444	0.6
92.10089	0.6
92.26487	0.3
93.03466	1.6
101.02432	1.1
111.04527	0.3
117.03459	1.7
119.05019	4.8
121.02969	1.7
132.02179	23.9
133.02948	2.2
134.03754	24.5
134.44530	0.3
135.04515	1.8
137.02441	1.2
145.02980	0.6
147.04544	2.0
148.05304	1.2
149.06079	4.4
160.01675	100.0
161.02367	1.6
161.04617	0.4
163.04022	3.1
173.04602	0.6
174.03246	1.3
175.04024	90.6
176.04823	4.8
177.01894	0.5
177.05432	0.4
178.02728	3.4
191.05566	1.0
191.07182	5.0
192.04279	0.5
192.34419	0.3
193.05083	22.2
199.86476	0.3
202.02794	1.5
205.05014	0.5
207.06679	1.8
217.05089	4.7
220.03845	0.5
227.03516	1.4
235.06157	7.0
240.22131	0.3
255.03113	1.7
265.07254	2.3
271.11206	0.3
284.03363	0.6
295.08337	3.9
331.25061	0.4
337.09369	21.4
355.10452	1.4
471.26260	0.4
531.15253	7.0
531.28497	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91472	0.4
57.17844	0.4
59.01370	6.0
60.54048	0.5
65.76147	0.5
67.01910	0.7
71.01389	3.6
74.73070	0.6
75.00909	0.6
76.13589	0.5
83.05053	0.7
85.02958	17.4
87.00867	3.8
89.02452	0.7
92.10912	0.8
93.03465	9.0
96.96015	9.4
108.02190	0.7
109.02966	22.9
111.00884	3.5
111.04530	3.1
117.03468	2.8
119.05034	3.2
121.02948	6.1
127.04011	2.7
129.03477	2.4
131.05003	0.6
131.35184	0.7
132.02148	0.6
133.03043	0.7
135.04529	0.9
137.02443	3.8
145.02985	17.1
146.03349	2.4
147.03502	1.2
147.04539	9.7
157.02954	7.8
158.03712	2.3
159.04529	16.5
163.03993	2.4
171.03012	0.6
173.02428	3.5
173.04527	3.2
174.03145	0.7
175.04010	4.9
179.05615	0.6
185.02432	6.2
186.03238	1.2
191.05638	87.0
192.06061	0.8
193.06647	0.8
196.05351	0.7
197.05954	0.6
199.07475	0.6
201.01881	1.0
203.03482	0.8
209.05968	0.6
211.07663	2.3
213.02048	0.6
221.06094	4.9
222.06877	0.7
223.07620	0.9
224.04866	1.2
225.05574	2.1
229.01453	47.0
230.01947	1.2
237.05611	0.8
238.06334	2.2
239.07205	5.5
248.04868	2.6
249.05634	11.9
250.06259	3.8
251.07129	0.7
253.04987	2.0
261.05313	0.5
265.05026	3.1
266.05878	3.4
267.06683	30.0
269.08188	2.9
276.04327	2.2
277.05118	20.2
278.05762	4.3
280.03757	1.2
293.04550	6.8
294.05457	4.9
295.06165	37.0
295.33307	0.6
327.08817	0.6
339.05157	100.0
340.05380	0.7
357.05969	0.7
357.09860	3.0
381.89914	0.7
476.33191	0.5
531.11279	20.8
543.96387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74336	0.6
50.74589	0.5
53.27506	0.5
54.78706	0.6
57.03469	0.6
59.01376	3.1
67.01900	0.8
71.01388	3.4
72.97551	1.0
73.02930	0.7
74.02647	0.7
74.73415	0.6
74.78869	0.6
85.02958	14.8
87.00877	3.3
92.10111	1.8
93.03441	9.6
96.96002	4.8
100.51044	0.6
101.04761	0.7
101.30038	0.6
108.02199	1.1
109.02963	21.7
111.04528	2.6
117.03432	1.0
119.05039	3.6
121.02956	11.8
126.17303	0.6
127.04021	3.8
128.24580	0.8
129.03448	0.8
131.05034	1.0
135.04526	1.4
137.02493	1.4
145.02965	14.7
146.03809	0.8
147.04546	8.8
157.02969	9.8
158.03738	1.7
159.04520	14.9
161.02400	0.7
163.04016	3.9
173.02402	3.0
173.04565	3.7
174.03185	0.7
175.04012	4.3
185.02383	5.2
186.03233	1.4
191.05646	85.6
193.06572	1.4
196.05287	1.2
201.01915	1.2
211.07773	1.1
221.06125	4.7
223.07681	1.3
224.04941	0.9
225.05461	1.5
229.01450	46.7
230.02257	1.0
239.07249	5.5
248.04672	1.1
249.05582	12.3
250.06381	3.9
251.07121	1.3
253.04938	2.8
265.05072	2.8
266.05820	3.4
267.06671	28.7
269.08273	1.2
276.04327	1.5
277.05084	20.3
278.05722	3.2
280.03696	1.0
293.04620	8.2
294.05331	6.1
295.06155	35.1
311.05283	0.9
332.33618	0.7
339.05157	100.0
357.09888	3.4
464.06641	0.8
470.71115	0.8
487.12408	1.5
531.11346	21.0
531.19122	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89750	0.6
59.01393	100.0
61.98862	0.8
72.10654	0.7
81.57126	0.7
81.70410	0.6
84.20795	0.6
85.02976	0.6
118.62195	0.6
191.05496	1.3
279.23260	2.6
469.33374	2.5
471.34985	1.3
485.32825	8.7
529.30182	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	530.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.0
61.98843	3.1
78.95905	15.3
102.67155	0.4
117.37639	0.3
119.34821	0.3
152.99588	2.4
168.04332	3.1
175.55560	0.4
191.05717	0.6
224.06985	7.7
242.08025	1.9
255.23346	100.0
269.41208	0.4
288.07007	0.4
480.31058	48.8
536.89935	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	48.9
59.01688	1.7
61.98839	6.4
71.01392	6.6
78.95914	2.9
79.44460	1.3
83.01410	1.4
85.02974	2.6
89.02454	7.0
98.69043	1.3
101.02449	7.6
113.02436	3.1
119.03542	2.4
128.55988	1.4
191.05562	2.1
195.13881	9.4
209.11867	3.2
223.13361	7.6
253.09322	25.8
275.20154	10.0
289.18088	6.2
293.21289	100.0
307.19250	11.4
353.11890	1.4
447.13312	5.4
529.27936	5.9
539.52185	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3541
Annotation	Rubianol b
Peak:m/z	Relative Intensity
52.41217	0.7
54.74186	0.8
57.65546	0.9
58.33846	0.9
59.01389	100.0
64.34616	1.0
73.15466	0.8
75.27359	1.0
87.03329	1.0
105.09988	1.1
191.60533	1.0
217.41185	0.9
291.22473	1.0
373.15680	1.1
469.33258	17.9
529.14233	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	529.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94267	1.1
57.03455	1.3
57.24869	0.9
58.96067	1.1
59.01387	34.7
61.98838	2.0
71.01379	19.9
71.96011	1.2
72.99306	2.5
73.02939	1.3
74.64485	1.2
75.00874	1.7
75.89339	1.1
79.61671	1.0
80.91728	1.2
83.01406	7.5
85.02964	10.2
87.00892	2.4
89.02454	19.3
93.03460	11.5
96.69468	1.5
96.96006	27.2
99.00875	6.3
100.01616	2.4
101.02434	7.6
103.50248	1.3
109.02956	5.5
111.00891	8.9
111.04531	2.5
113.02448	7.3
113.99585	30.2
115.00392	14.3
116.92793	4.4
119.03445	4.6
119.05042	2.0
121.02950	11.0
125.02393	2.3
128.01166	4.5
128.90161	5.1
133.02840	1.3
135.04460	2.5
137.02501	1.5
139.00414	1.9
145.02966	1.7
152.01193	2.8
155.10756	2.1
156.00674	36.1
164.94261	1.3
173.04599	11.0
174.01697	100.0
175.02475	2.7
179.05629	1.6
191.05669	13.0
224.26033	1.2
238.96947	1.1
259.43304	1.3
287.16501	2.1
366.99670	1.5
373.15012	2.3
393.03796	1.3
453.28833	1.4
469.20697	11.9
475.01404	1.3
529.19647	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	529.2821
Annotation	Ganoderic acid M
Peak:m/z	Relative Intensity
56.13424	1.2
57.03469	1.6
59.01393	9.0
60.60071	1.2
61.98845	3.6
63.95036	1.1
72.99316	38.7
72.99699	2.2
74.43750	1.2
75.00881	8.7
78.39940	1.3
78.78609	1.2
83.81017	1.6
88.01099	1.5
93.03426	1.8
109.94592	1.7
121.02971	3.6
165.12880	5.7
183.13904	15.6
227.12956	8.8
244.43567	1.5
249.59019	1.9
264.15607	1.5
347.27731	1.8
409.27600	14.3
437.26981	6.7
439.28848	11.8
453.26453	9.2
455.28195	2.2
485.22177	2.4
485.29190	71.6
529.28174	100.0
530.28595	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	529.157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20074	0.3
54.82875	0.3
55.01898	0.4
57.03482	0.4
59.01395	9.5
64.86395	0.3
69.03483	0.3
71.01382	6.6
72.39104	0.3
73.02966	1.8
80.41959	0.3
80.91703	2.6
83.01408	1.6
85.02945	3.2
87.00890	0.6
89.02441	4.6
90.20898	0.3
93.03451	0.6
95.01386	0.5
98.28969	0.3
99.00922	0.7
101.02458	4.4
113.02482	3.7
117.03469	27.7
119.03516	0.6
119.04996	4.4
126.90401	0.4
143.03481	0.8
145.02971	100.0
161.04568	1.7
163.04002	3.9
179.05634	0.5
191.05646	2.2
298.22620	0.3
307.08319	2.5
307.17639	1.7
341.10910	2.1
469.13589	2.0
469.22849	5.0
487.14749	1.7
529.15704	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	529.1573
Annotation	Pikuroside
Peak:m/z	Relative Intensity
50.11251	0.5
55.39583	0.4
57.03461	0.9
58.25489	0.4
59.01391	3.4
60.99326	2.9
67.01898	11.5
69.03468	2.2
71.01388	3.7
73.02977	0.6
75.00900	0.7
81.03463	3.4
83.05054	1.8
85.02940	6.2
87.00887	14.4
89.02451	0.7
92.10744	1.1
93.03458	71.2
97.83035	0.5
99.00887	0.9
99.04558	0.6
101.02441	0.8
109.02960	2.1
111.04523	10.3
119.05030	0.7
121.02943	0.9
127.04015	2.1
129.01938	2.2
133.02975	2.9
134.03746	24.4
135.04541	2.4
137.02431	3.4
143.03494	0.5
144.90547	0.5
149.06088	7.0
155.03520	2.3
156.25916	0.5
173.04558	18.3
175.03923	1.0
177.01840	0.9
178.02766	12.0
191.05646	100.0
193.03345	0.8
193.05093	25.2
215.05695	0.5
367.10394	14.4
409.11493	2.4
448.25824	0.6
529.15698	63.4
530.16095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83318	1.5
54.83334	1.5
57.03457	2.7
59.01388	31.6
60.99303	2.9
61.98866	1.4
67.01895	14.6
69.03466	6.1
71.01389	15.9
81.03454	2.1
83.01421	2.2
85.02955	6.5
87.00867	20.4
89.02454	14.1
91.38945	1.2
93.03456	100.0
96.96031	10.2
98.32500	1.8
99.00912	1.7
99.04522	1.7
101.02476	9.6
111.04526	13.9
113.02467	8.4
115.04036	2.9
119.03534	6.2
129.05626	2.0
131.07224	1.9
134.03737	22.0
137.02486	1.8
141.01794	1.5
149.06113	7.3
152.59247	1.5
164.85023	1.5
173.04562	45.9
175.06184	2.4
178.02724	5.3
181.87778	1.5
191.05637	17.7
193.05093	13.9
275.16370	1.4
293.12424	36.3
367.10471	2.0
529.15741	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	529.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72667	0.7
54.43086	0.7
58.02986	10.0
59.01399	6.0
61.98843	0.7
70.03003	6.3
71.01407	4.6
72.00941	1.8
72.04570	1.2
73.02956	0.9
74.02486	43.6
85.02991	1.5
87.00886	1.0
89.02481	1.4
92.80013	0.8
93.03459	1.6
94.49295	0.8
95.23061	0.7
96.96027	7.8
98.02487	11.6
116.03555	15.2
116.05077	23.1
119.05042	0.9
121.02968	100.0
122.03300	3.5
142.06654	4.7
145.02904	1.2
155.10863	1.2
159.09334	4.0
161.02525	1.8
165.05635	1.1
183.09367	1.0
186.05609	1.2
191.05621	5.1
195.06534	0.8
201.10378	4.2
203.08310	51.0
239.05577	9.3
245.09352	93.5
314.39728	0.9
322.15329	0.9
371.33563	1.0
448.61130	0.8
466.90353	0.9
529.15582	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68262	0.9
51.00369	0.8
53.46781	0.9
54.88513	1.3
55.47098	0.9
56.43263	1.0
57.15793	0.9
59.01388	100.0
61.98843	4.6
62.50752	1.2
67.55398	1.1
71.01410	2.0
76.58111	1.4
80.11899	1.0
83.05006	1.2
92.10152	2.3
92.10738	3.2
96.99332	4.3
101.02458	1.6
114.39359	1.4
121.02960	11.6
126.36566	1.1
135.04581	1.6
141.01720	36.0
148.78468	1.2
158.03540	1.3
161.93259	1.2
191.05638	5.1
209.11925	2.8
227.07150	2.1
257.03168	1.3
264.71741	1.3
286.15768	1.4
338.27640	1.3
425.26801	1.8
437.27115	7.8
475.25940	1.9
481.26099	6.9
499.27185	10.8
529.28137	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	529.136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.5
57.03465	2.6
58.03123	0.4
59.01390	9.8
60.50914	0.4
60.99341	0.6
61.98848	0.7
63.62716	0.4
67.01884	4.1
69.03481	0.9
71.01386	8.0
73.02962	1.1
75.00884	0.9
75.37799	0.5
81.03446	0.7
83.05039	1.0
84.02802	0.5
84.21976	0.5
85.02977	3.4
87.00890	1.0
89.02441	1.1
93.03459	29.4
96.96005	3.8
101.02468	3.6
108.02187	0.6
109.02988	2.4
111.00864	0.8
111.04510	5.5
113.02476	3.0
117.03491	2.8
121.02966	22.6
121.03841	1.1
127.04079	0.6
133.02965	0.7
134.03746	22.7
135.02979	0.8
135.04549	10.3
137.02455	6.8
149.06120	1.3
152.00975	0.5
155.03535	4.7
155.97371	0.7
161.02463	4.0
161.13393	0.7
163.03987	1.0
172.51871	0.6
173.04565	100.0
175.03891	0.7
179.03510	4.1
191.05635	19.9
193.05070	15.6
227.03642	0.8
255.03105	1.2
285.03906	0.6
300.02750	0.7
353.08859	3.1
367.10406	37.4
367.20776	0.8
411.20212	4.1
529.23285	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	527.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37920	1.1
51.52903	1.4
52.31827	1.3
57.03458	2.1
59.01390	14.6
60.54007	1.3
61.98848	2.0
67.75316	1.3
71.01402	7.5
72.35888	1.4
73.91226	1.3
89.02444	3.0
95.41416	1.4
101.02428	2.8
111.08195	10.6
113.02431	2.0
113.94567	1.5
187.47279	1.9
195.13899	9.1
209.11983	1.9
235.28275	1.8
247.20667	2.7
253.09267	11.0
259.95578	1.6
270.71564	1.6
291.19705	100.0
422.02042	1.6
489.28909	2.5
527.28693	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	527.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.93398	19.4
61.98825	33.1
76.61613	25.9
89.60316	26.1
89.72266	22.7
91.08302	24.3
106.90001	22.5
140.02087	23.3
140.10747	22.6
187.54271	27.8
354.19562	26.1
439.32281	42.4
473.42838	32.0
527.29401	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84121	4.9
59.01398	8.9
67.81598	5.1
76.77044	5.7
97.15007	5.6
127.51591	6.3
367.23453	7.5
388.96692	6.2
469.33179	6.5
527.34131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35401	1.4
56.11615	1.4
57.03459	3.5
59.01390	23.9
61.98837	2.0
69.37883	1.4
71.01387	18.9
72.99317	8.7
73.02954	1.9
75.00877	19.0
85.02961	21.3
87.00888	10.1
89.02477	2.4
92.28938	1.3
95.01373	2.4
99.00887	11.0
104.24259	1.5
113.02463	20.8
117.01936	1.7
117.41128	1.4
120.08499	1.5
121.61231	1.7
122.06671	1.7
129.01944	1.8
175.02415	1.6
180.85309	1.6
189.97130	1.7
210.75150	1.5
249.06203	17.7
267.07330	2.3
271.66830	1.6
277.21774	89.8
300.05154	1.5
433.74905	1.9
527.28687	100.0
532.29413	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50763	2.8
59.01385	27.6
61.98838	11.9
71.01405	5.6
71.05046	3.9
83.05048	6.9
92.67043	2.9
97.06607	7.3
99.00879	60.3
121.02934	5.7
123.08232	3.6
125.09729	21.2
126.18829	2.9
163.11298	18.3
171.10219	4.2
181.12350	26.1
185.03293	3.3
191.05580	4.2
199.13521	11.5
207.10301	55.8
209.11874	83.9
225.11388	100.0
227.12914	6.4
243.12373	43.6
299.15063	5.9
305.17694	5.8
317.16107	20.7
319.84201	3.5
407.22794	2.9
527.28754	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02932	0.6
55.01891	9.5
57.03469	6.2
58.00605	0.8
59.01389	48.8
61.98849	1.4
66.25333	0.7
69.03446	1.2
71.01389	57.9
72.99321	3.4
73.02956	18.9
75.00909	0.9
83.01395	14.8
83.01828	0.9
85.02962	34.6
86.00112	1.1
87.00900	1.6
89.02455	10.5
92.83802	0.7
93.03484	2.9
95.01376	6.4
96.96033	1.2
97.02959	3.0
99.00890	8.1
101.02448	58.6
104.35744	0.8
108.02210	2.8
109.02963	1.6
109.53337	0.7
111.00905	1.2
113.02455	24.0
119.03510	3.2
121.02947	8.3
122.03304	0.9
124.01636	1.3
125.02451	5.9
129.01941	1.3
132.43454	0.8
137.02393	0.9
143.03508	1.7
152.01146	1.1
159.02980	4.1
161.04579	18.0
168.00647	3.0
173.04498	0.8
179.05658	0.7
191.05597	3.2
305.19751	26.8
327.93292	0.7
338.52740	0.8
382.29022	0.9
467.25027	100.0
527.14099	1.5
527.21204	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	527.287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87568	1.1
57.03450	2.8
58.88279	1.1
59.01385	20.3
61.90578	1.0
71.01376	23.5
72.99316	6.3
74.82115	1.2
75.00879	18.4
78.43416	1.6
85.02950	24.7
85.06248	1.3
87.00875	10.2
89.02476	9.4
95.01399	8.4
99.00892	9.1
103.00386	1.2
113.02459	26.3
136.73657	1.4
175.02444	2.0
249.06175	4.9
254.66359	1.3
267.07199	5.8
277.21744	55.4
329.02756	1.5
527.28717	100.0
528.29004	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72290	2.0
53.71064	2.0
55.01889	5.7
55.82518	2.1
57.03459	3.5
59.01386	64.1
61.98830	14.7
68.56681	2.3
68.57048	2.2
69.03487	2.3
71.01380	60.4
72.99310	2.4
73.02938	20.8
79.97501	2.5
83.01402	13.1
85.02946	32.6
87.00890	3.5
89.02433	13.0
93.03461	12.0
95.01382	13.2
96.96017	38.2
96.97003	3.0
99.00874	11.6
101.02441	44.1
108.02200	3.3
109.02985	4.8
113.02447	25.3
121.02979	37.2
124.01646	4.4
125.02434	10.5
135.04514	2.6
137.02379	3.6
143.03470	3.0
146.89949	2.2
153.01831	5.7
161.04565	11.3
168.00612	11.9
190.89400	2.5
191.05641	8.9
200.72415	2.5
248.13333	2.4
254.92239	2.4
305.19720	22.1
467.25018	100.0
467.31204	5.2
501.16141	2.6
527.13861	3.9
527.21417	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	1.8
57.03466	1.3
58.19295	0.7
59.01395	100.0
60.00022	0.9
61.98851	0.8
69.03477	3.9
71.01392	33.5
72.99329	1.7
73.02959	19.2
75.00891	1.0
78.95924	5.4
81.03461	1.1
83.01414	10.6
85.02969	12.4
87.00879	16.7
89.02451	18.3
93.03480	4.9
95.01397	2.2
96.96034	1.6
97.02953	1.6
99.00876	3.7
101.02452	31.5
108.77858	1.2
109.02983	1.4
111.00861	1.3
113.02465	14.9
117.03463	8.1
119.03527	5.3
119.05027	19.7
121.02901	0.9
125.02456	4.6
129.02025	1.5
135.04507	1.0
137.02489	1.2
143.03523	7.2
145.02963	36.7
146.03348	1.1
149.04556	1.4
150.03288	1.0
161.04561	5.9
161.05968	2.1
163.04007	13.9
168.23387	1.1
177.05511	1.0
179.05643	3.4
181.07329	0.9
191.05696	7.4
205.05132	3.2
216.79337	0.9
221.06763	1.6
233.30824	1.1
253.25320	0.9
265.07162	1.5
285.08835	1.8
323.09668	1.6
341.10986	2.3
347.09894	2.0
354.00858	1.0
360.07788	0.9
364.82144	1.0
365.11075	8.9
373.46423	0.9
383.12057	12.5
407.11844	1.0
418.61172	1.0
425.13058	41.6
467.14798	1.8
467.21234	17.4
489.16287	19.7
491.17145	3.5
527.23615	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	100.0
71.01392	16.4
72.99336	0.9
73.02970	10.4
74.66205	0.7
75.00892	1.4
77.62720	0.7
78.91914	1.6
78.95910	10.0
79.80724	0.7
83.01419	4.2
85.02958	6.3
87.00894	7.3
89.02455	11.6
93.03463	1.2
95.01376	1.2
96.96007	1.0
96.96979	4.8
97.02990	0.8
97.25146	0.7
101.02457	16.9
111.00887	1.2
113.02470	8.2
119.03509	3.5
119.05052	3.8
121.02965	7.5
125.02422	0.9
129.01945	0.9
135.04524	0.8
143.03529	1.7
145.02953	1.2
155.10759	0.8
161.04604	3.9
163.04066	1.6
167.03516	1.7
173.04543	1.2
179.05666	2.7
191.05647	9.7
192.62091	0.7
210.57954	0.7
221.06615	1.5
229.09824	1.6
232.95154	0.8
270.10196	0.9
341.10977	1.4
363.16882	0.9
365.11063	3.9
370.58624	0.9
377.99844	1.0
383.11975	9.3
411.13568	0.8
425.13181	20.8
443.78320	0.8
467.20935	9.0
527.10822	2.4
527.18066	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02990	0.4
58.22667	0.2
58.77248	0.2
59.01388	0.4
61.58535	0.2
61.98840	0.8
62.57051	0.2
63.97461	0.2
65.89725	0.2
70.02992	0.4
71.01382	19.4
71.13959	0.2
71.14400	0.2
73.35962	0.2
74.02474	2.4
85.02946	0.3
93.03429	1.8
94.03801	0.4
95.41247	0.2
96.95986	0.2
98.02505	0.5
98.53336	0.2
101.02443	0.3
115.00377	9.3
116.03564	0.5
116.05067	1.3
121.02959	100.0
122.03307	0.4
124.69098	0.2
137.02478	2.3
138.02812	0.4
142.06541	0.3
145.03133	0.2
191.05569	0.2
203.08289	2.5
237.04074	11.7
245.09373	4.4
265.05093	0.8
311.94489	0.2
397.49347	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1356
Annotation	Lophirone F
Peak:m/z	Relative Intensity
59.01379	7.6
61.01793	1.2
63.97472	1.3
65.76179	1.2
87.58807	1.3
208.14020	1.4
218.08530	1.5
247.41512	1.4
383.09177	1.8
395.09460	1.9
397.07349	5.7
407.82913	1.5
411.08820	9.6
421.07422	5.8
422.08182	2.8
425.06558	2.1
441.09808	3.1
455.11420	13.4
465.09787	6.8
466.10376	3.1
483.11185	3.1
509.12338	13.6
527.13574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.7
60.95792	2.2
64.32896	2.2
69.34315	2.2
98.58521	2.4
110.71784	2.4
201.67159	2.4
203.80391	2.6
223.68048	3.1
270.11948	2.7
355.47623	2.7
397.07211	3.7
411.08563	6.2
421.07242	13.9
422.07736	3.6
455.11386	11.1
465.09979	5.0
483.10547	4.3
494.10052	4.0
509.12582	15.8
527.13544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61554	0.4
52.82752	0.5
53.00658	0.4
57.03452	0.5
59.01387	41.1
61.98816	0.6
65.08353	0.5
71.01389	9.8
72.53129	0.5
72.99304	0.6
73.02956	2.8
74.94839	0.4
78.91905	0.5
78.95906	100.0
81.03455	0.5
83.01385	2.1
85.02966	3.6
87.00858	4.0
88.89508	0.5
89.02454	6.5
89.24007	0.4
93.03466	0.9
95.01386	0.6
96.96053	5.8
96.96962	55.5
99.00859	0.5
101.02460	5.7
111.00894	0.7
113.02438	4.8
116.92835	2.0
119.03518	3.5
119.05029	2.4
121.02966	7.3
123.04457	0.7
131.03459	0.8
135.04518	0.8
143.03546	0.6
143.15660	0.5
145.58301	0.5
161.04575	1.2
173.04529	1.1
179.05573	1.1
188.07220	0.6
191.05626	7.7
203.12021	0.6
323.09897	2.2
365.10913	8.9
383.11978	5.1
393.66495	0.5
393.99149	0.5
425.13126	4.6
429.76279	0.5
510.90842	0.6
527.11755	41.4
527.18677	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61554	0.4
52.82752	0.5
53.00658	0.4
57.03452	0.5
59.01387	41.1
61.98816	0.6
65.08353	0.5
71.01389	9.8
72.53129	0.5
72.99304	0.6
73.02956	2.8
74.94839	0.4
78.91905	0.5
78.95906	100.0
81.03455	0.5
83.01385	2.1
85.02966	3.6
87.00858	4.0
88.89508	0.5
89.02454	6.5
89.24007	0.4
93.03466	0.9
95.01386	0.6
96.96053	5.8
96.96962	55.5
99.00859	0.5
101.02460	5.7
111.00894	0.7
113.02438	4.8
116.92835	2.0
119.03518	3.5
119.05029	2.4
121.02966	7.3
123.04457	0.7
131.03459	0.8
135.04518	0.8
143.03546	0.6
143.15660	0.5
145.58301	0.5
161.04575	1.2
173.04529	1.1
179.05573	1.1
188.07220	0.6
191.05626	7.7
203.12021	0.6
323.09897	2.2
365.10913	8.9
383.11978	5.1
393.66495	0.5
393.99149	0.5
425.13126	4.6
429.76279	0.5
510.90842	0.6
527.11755	41.4
527.18677	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89619	0.1
57.03445	0.2
59.01381	1.5
59.60125	0.2
61.98838	100.0
63.69656	0.2
63.75862	0.2
64.34547	0.2
65.00336	1.0
71.01389	1.4
73.02955	0.4
85.02950	0.3
89.02451	0.3
93.03455	0.9
97.02963	0.4
101.02451	1.1
109.02978	1.0
113.02474	0.3
121.02132	0.2
121.02961	2.7
135.04536	17.4
137.02417	0.4
145.02951	0.2
161.02458	0.4
161.04523	0.3
165.01950	9.7
173.04576	0.3
183.02940	0.2
227.03624	0.3
255.02968	0.5
284.03305	0.3
285.04062	0.7
301.07233	11.4
314.87286	0.2
318.07437	0.2
332.68689	0.2
345.54504	0.2
349.84311	0.2
383.33347	0.2
435.07950	0.2
463.12650	7.8
465.23569	0.5
466.23636	1.1
473.11108	0.2
481.58054	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2713
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
50.81155	0.5
50.98877	0.6
52.72232	0.6
52.76291	0.5
55.01903	0.8
57.03457	0.7
59.01385	4.7
60.97638	0.6
61.13564	0.5
61.98813	0.8
69.03452	8.5
71.01377	1.2
71.05011	2.9
72.34606	0.5
73.52996	0.6
78.89077	0.5
80.02679	1.3
81.03466	2.8
83.01399	1.3
83.05018	6.7
84.02171	2.6
91.04002	0.6
92.10151	1.4
95.05009	1.2
97.06592	3.5
109.06550	0.6
121.02947	1.5
123.08144	3.9
125.06046	0.8
125.09716	6.8
135.08182	0.9
137.09688	1.0
143.75253	0.6
151.11278	3.7
153.12852	3.8
161.09776	8.1
163.11317	6.5
165.12831	3.4
173.04453	0.9
179.10802	20.8
181.12428	0.9
185.11911	0.8
191.10834	1.1
197.11858	100.0
209.11870	72.7
209.13428	1.0
223.09764	3.1
225.11119	0.6
227.12796	4.5
241.10822	9.1
297.13309	3.1
299.41559	0.7
315.14566	12.9
507.26028	0.8
511.35596	0.6
525.27124	69.0
526.28009	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82924	0.5
57.03474	0.5
59.01393	1.2
61.98844	10.4
61.99134	0.9
62.61990	0.5
63.63742	0.5
71.01409	1.5
78.95921	0.7
85.02987	0.7
89.02461	0.9
92.10075	1.0
101.02424	0.6
107.01403	3.9
108.02179	1.2
109.02988	2.6
120.02115	0.7
121.02979	2.8
148.01712	0.9
151.00409	14.1
163.00362	2.5
164.92253	0.7
178.99901	5.7
191.05629	0.9
209.11874	5.9
226.02824	0.8
227.03506	2.6
243.03015	9.6
245.04585	1.2
254.02184	1.1
255.03026	27.4
271.02515	55.1
272.03064	0.9
273.04034	1.0
283.02487	0.8
299.02109	1.0
300.02808	100.0
301.03586	35.4
319.94916	0.7
452.20770	5.7
463.08914	84.9
465.23425	0.9
545.60925	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.4
56.26342	0.9
57.03471	2.7
58.00611	1.6
59.01385	88.7
61.98840	5.4
71.01382	75.2
72.99315	1.5
73.02950	19.4
75.00863	1.5
78.76259	1.0
82.95408	1.2
83.01395	7.3
85.02953	25.0
87.00872	6.7
88.98820	1.7
89.02444	63.1
89.58298	1.1
90.71600	1.1
93.03455	73.7
94.31000	1.0
95.01390	5.0
96.96027	1.4
97.02932	1.4
99.00898	5.5
99.04530	1.1
101.02448	53.5
102.20240	1.3
108.02187	1.5
109.02957	6.0
113.02450	25.4
119.03509	26.4
119.05027	4.8
121.02954	46.4
124.01648	1.4
125.02433	7.2
131.03500	6.8
134.03702	2.1
135.04530	6.6
137.02446	100.0
138.02785	1.5
143.03476	2.6
145.02979	4.1
149.99524	1.3
151.00394	4.8
155.03534	1.5
155.96861	1.1
160.01675	1.4
161.02469	2.3
161.04564	20.6
161.09698	4.5
163.03967	2.3
168.00674	1.8
173.04587	6.7
175.04082	2.3
179.05617	38.8
191.05637	2.5
193.05110	1.5
199.13982	1.2
200.04816	1.8
205.08757	4.9
212.89087	1.1
215.07175	2.0
221.06688	13.2
226.06404	4.3
227.03540	5.6
227.07146	14.6
228.07472	1.7
229.05109	2.4
255.03073	13.5
256.03680	1.4
257.04553	2.2
271.02362	1.5
284.03357	8.3
285.04166	18.4
295.01355	1.3
300.02841	2.2
301.03555	1.7
327.21732	2.4
337.07861	9.8
364.09091	1.2
447.09473	2.2
465.23529	60.4
489.26749	1.4
525.23199	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	525.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96926	0.4
55.01895	1.1
56.45951	0.4
57.02906	0.4
57.03466	0.7
59.01396	12.7
61.98848	0.5
70.86755	0.5
71.01391	16.2
71.01781	0.7
73.02958	8.7
75.00903	1.0
83.01414	2.8
85.02962	10.5
87.00879	0.7
89.02449	4.8
90.65237	0.5
92.10814	0.7
93.03461	71.2
95.01417	1.0
97.02966	0.7
99.00903	3.2
101.02453	14.3
112.35357	0.5
113.02449	5.8
115.04076	0.4
121.02943	1.2
125.67475	0.5
131.03494	0.6
137.02457	100.0
137.09705	0.5
143.03539	0.6
144.88263	0.5
149.04466	0.6
155.10785	6.2
159.02986	0.5
161.04581	5.4
177.04062	0.7
191.05565	0.7
199.09818	1.9
241.10576	0.8
247.08478	0.6
293.08862	0.6
333.19290	6.0
378.49194	0.5
465.23505	41.2
470.81134	0.5
472.08429	0.5
525.22021	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	525.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82608	0.7
57.03461	1.4
59.01394	15.7
62.02085	0.5
71.01382	11.1
73.02949	5.3
75.00884	1.4
85.02969	5.0
87.00875	0.7
87.04524	4.9
88.98835	1.2
89.02448	7.2
93.03463	2.5
97.02941	1.1
99.00894	1.0
100.01988	0.6
101.02454	11.1
113.02457	3.1
135.08153	1.2
137.02457	2.9
137.09727	14.4
152.01242	1.0
153.71558	0.6
155.10796	100.0
156.11037	1.0
161.04521	0.9
162.03285	0.6
163.06213	0.9
165.05630	1.0
169.12317	2.7
169.54660	0.6
176.04131	0.7
181.07170	4.8
181.08771	3.3
191.05649	3.5
192.97485	0.7
199.07954	1.3
199.09790	33.7
209.11885	0.8
213.11429	2.8
241.10847	10.0
292.69330	0.7
334.80835	0.7
435.09277	0.7
465.23074	1.5
518.97394	0.7
525.22076	81.9
525.28412	3.1
526.22552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82608	0.7
57.03461	1.4
59.01394	15.7
62.02085	0.5
71.01382	11.1
73.02949	5.3
75.00884	1.4
85.02969	5.0
87.00875	0.7
87.04524	4.9
88.98835	1.2
89.02448	7.2
93.03463	2.5
97.02941	1.1
99.00894	1.0
100.01988	0.6
101.02454	11.1
113.02457	3.1
135.08153	1.2
137.02457	2.9
137.09727	14.4
152.01242	1.0
153.71558	0.6
155.10796	100.0
156.11037	1.0
161.04521	0.9
162.03285	0.6
163.06213	0.9
165.05630	1.0
169.12317	2.7
169.54660	0.6
176.04131	0.7
181.07170	4.8
181.08771	3.3
191.05649	3.5
192.97485	0.7
199.07954	1.3
199.09790	33.7
209.11885	0.8
213.11429	2.8
241.10847	10.0
292.69330	0.7
334.80835	0.7
435.09277	0.7
465.23074	1.5
518.97394	0.7
525.22076	81.9
525.28412	3.1
526.22552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	58.0
60.83131	4.1
61.98844	28.4
63.94903	4.2
64.76509	4.2
70.03603	4.6
71.01390	26.4
82.94989	6.8
82.95403	47.0
86.29346	5.8
88.98826	5.1
89.02435	35.7
92.10090	13.4
93.03481	20.5
96.95992	5.0
99.00887	10.2
108.02194	34.0
108.03017	5.5
109.02974	7.6
116.92860	9.5
121.02967	100.0
125.02426	7.3
135.04535	20.3
137.02457	8.9
145.03006	6.6
152.01170	36.3
155.10771	6.4
165.67213	4.9
169.20369	5.5
171.13937	48.3
173.04546	19.5
183.13966	9.0
191.05734	7.4
208.57928	4.8
293.08859	29.1
525.18835	39.8
525.34149	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	525.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
58.84713	0.5
59.01383	8.0
61.98840	1.9
63.43798	0.6
69.03474	1.6
71.01390	7.2
73.02975	1.4
75.00912	1.0
78.63784	0.7
81.03481	1.9
85.02962	5.1
89.02463	3.3
93.03461	7.0
95.01408	3.2
99.00873	0.7
101.02448	1.4
103.14996	0.7
104.69846	0.7
106.40895	0.7
108.02185	90.0
109.02966	63.0
111.08149	1.3
113.02458	1.4
121.02957	20.0
121.03751	1.2
123.00918	0.9
123.04572	1.1
125.02491	1.3
133.03001	0.9
145.55658	0.8
151.04059	1.4
152.01173	100.0
153.01967	34.9
163.04083	1.0
165.01991	1.4
165.12860	9.4
169.06561	1.0
171.13895	4.9
183.13971	10.6
209.11884	1.4
227.12984	1.3
241.05112	1.1
284.03409	0.7
293.08765	4.0
293.14032	1.4
315.07309	13.9
315.77557	0.9
320.45557	0.8
335.39078	0.8
337.93152	0.9
419.23077	0.9
481.21213	3.0
507.18924	3.3
525.14313	5.5
525.20001	92.7
526.20453	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	524.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90992	7.0
59.06509	4.2
61.00309	4.4
61.98837	100.0
63.45094	4.9
66.75992	4.8
80.15169	4.9
150.30730	4.9
166.59987	4.9
259.44733	5.3
401.97885	5.5
461.36246	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	525.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83348	0.2
55.09952	0.1
57.03448	0.2
59.01409	1.8
61.98840	0.9
71.01398	1.0
73.02995	0.2
73.39536	0.2
73.90502	0.2
75.00872	0.4
78.95906	2.3
79.95754	1.1
85.02971	1.1
87.00911	0.2
88.98817	0.3
89.02475	0.3
92.10836	0.3
93.03468	1.7
96.96022	100.0
96.96901	3.9
99.04605	0.2
101.02449	0.6
108.02196	0.4
109.02962	0.4
119.05029	1.1
121.02951	1.2
129.01894	0.2
135.04527	0.8
137.02448	1.8
145.03009	0.9
152.01205	0.4
153.01935	0.7
154.98059	0.3
163.04039	0.2
173.04483	0.3
177.04024	0.2
179.03467	0.3
179.10660	0.2
187.23535	0.2
188.09238	0.3
191.05655	2.0
193.64233	0.2
215.12758	0.2
221.27565	0.2
322.39584	0.2
465.23297	0.3
489.23306	0.3
525.29980	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1409
Annotation	Itoside H
Peak:m/z	Relative Intensity
59.01392	11.6
61.98845	7.6
71.01394	1.9
75.00876	1.1
76.57942	0.8
77.99734	1.0
88.98820	2.1
89.02486	1.7
93.03461	36.6
105.13802	1.1
108.02212	4.5
109.02970	6.1
118.85283	1.0
121.02962	100.0
122.03260	0.9
123.04488	1.1
128.75664	1.1
135.04543	1.6
135.46408	1.0
152.01144	4.3
153.01892	3.7
153.05611	1.2
169.06558	1.5
171.13943	1.1
184.05313	2.1
191.05592	1.9
197.06075	2.0
211.04048	6.8
213.05609	2.4
215.07184	3.8
222.69308	1.0
241.05067	12.4
258.05338	4.6
338.45810	1.1
484.33691	1.1
507.13406	2.4
525.13904	45.8
526.14490	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1905
Annotation	Kurziflavolactone D
Peak:m/z	Relative Intensity
59.01388	9.8
61.98845	6.9
67.45417	6.5
71.01401	8.0
93.03448	76.9
101.02451	6.9
108.02191	9.7
119.05031	9.1
121.02956	100.0
137.02463	63.6
161.02431	9.2
195.14893	7.8
227.07140	11.5
255.03033	9.6
285.04108	10.2
373.54062	6.7
525.18701	70.6
549.41156	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	523.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98847	1.4
63.36616	0.9
64.68345	0.9
84.11803	0.9
85.85956	0.9
120.30343	1.0
126.30428	1.1
132.23689	1.0
149.34418	1.0
178.73659	1.0
267.63849	1.0
405.37268	1.1
441.33911	15.5
466.50784	1.1
487.34387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21481	1.8
61.98837	9.7
78.95889	2.3
83.43098	1.8
90.71478	1.7
100.94649	1.9
113.24204	1.9
152.99435	2.0
187.84785	1.9
192.51691	2.1
200.28610	1.9
254.33640	2.2
342.94830	2.4
441.33603	17.1
487.34369	100.0
488.34915	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	68.1
61.84110	46.4
61.98828	59.8
67.84814	52.0
83.48873	51.6
85.02978	50.0
86.64880	52.6
94.47469	46.4
99.31886	57.4
111.25796	47.7
112.93214	55.1
126.27099	62.8
178.94844	66.9
210.62332	53.5
485.32501	74.9
523.32153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28688	1.3
56.40722	1.3
59.01396	1.9
61.98833	1.9
63.39725	1.3
70.73207	1.6
73.31403	1.6
74.67593	1.5
76.57860	1.2
92.10823	2.7
92.76894	1.7
95.50303	1.7
98.86626	1.4
116.87716	1.7
144.53731	1.5
178.74374	1.7
198.89052	1.7
223.61641	1.5
287.44583	1.5
305.72095	1.7
339.69025	1.6
441.33856	16.3
487.34381	100.0
488.34305	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.4
55.03744	0.8
55.86047	0.5
57.03451	8.4
59.01386	35.0
69.03475	1.3
71.01382	35.3
72.99317	3.3
73.02944	5.2
75.00874	56.7
80.15914	0.5
83.01395	3.9
84.02189	0.8
85.02956	23.7
85.03461	0.9
87.00883	11.2
87.04516	0.9
89.02451	18.7
90.08238	0.7
93.03451	1.1
95.01382	1.3
97.02955	3.5
99.00896	10.8
101.02442	11.8
103.09513	0.7
111.00883	1.0
113.02441	9.3
119.03507	3.8
121.10218	1.4
129.01938	13.5
137.02467	0.9
141.01965	1.0
149.04634	1.0
159.02982	2.7
161.04614	1.1
165.09155	0.8
167.10782	3.7
177.04065	46.8
191.05608	3.2
195.05150	1.2
199.37656	0.7
253.22935	0.6
345.15503	10.3
402.27917	0.7
425.99615	0.7
463.22006	4.0
487.18378	5.2
523.20447	100.0
524.21008	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	6.0
57.03461	6.9
58.00615	1.2
59.01385	100.0
60.99349	1.1
61.98844	6.7
71.01383	77.9
72.99313	5.8
73.02947	16.0
75.00873	15.3
83.01405	5.4
85.02954	26.4
87.00868	12.1
88.98802	2.6
89.02444	68.4
89.14661	1.7
91.37621	1.1
93.03484	2.9
95.01389	5.0
96.96001	2.2
97.02956	2.8
99.00886	7.2
101.01793	1.9
101.02449	58.6
104.97388	1.3
108.02209	1.6
109.02991	1.3
111.00900	1.8
113.02448	32.4
116.92873	12.4
119.03495	24.7
119.05048	2.8
121.02975	8.8
125.02431	5.1
129.01942	5.2
131.03490	5.9
135.03030	5.4
135.04533	2.2
143.03508	6.2
149.06100	11.6
151.06146	15.6
159.02988	7.5
161.04590	17.0
165.12856	16.6
173.04594	2.5
177.04025	11.5
179.05634	38.7
183.13922	50.3
191.05600	5.9
195.05144	8.6
197.15465	8.2
221.06731	11.3
227.12943	19.1
232.49402	1.2
282.50189	1.4
301.16501	3.0
307.83401	1.3
313.11404	12.8
378.03006	1.4
387.16464	1.4
405.17633	8.7
463.21994	29.5
505.19504	1.8
509.44470	1.4
523.23511	41.1
523.33197	2.2
523.35059	1.9
524.20721	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	523.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.5
57.03463	2.6
59.01389	100.0
62.59702	1.2
69.03469	1.7
71.01382	39.1
73.02954	17.1
75.00896	2.2
83.01416	5.4
83.05037	3.0
85.02968	17.8
87.00897	3.0
88.98819	1.8
89.02438	15.1
91.01901	1.5
93.03471	2.7
95.01402	1.3
97.02977	1.9
99.00893	7.2
101.02455	29.2
109.02990	1.5
113.02445	19.0
119.03495	1.8
120.08238	1.1
122.06051	1.1
125.02442	1.8
131.03436	1.5
134.03757	16.7
135.02988	2.3
135.04546	1.9
140.11653	1.2
143.03542	1.5
149.04784	1.6
149.06096	21.1
152.01277	2.3
159.03027	1.7
161.04541	10.7
163.11250	1.9
165.12917	2.5
173.04544	1.6
177.04039	2.4
181.12437	1.5
183.10374	1.4
183.13934	5.2
183.18613	1.1
191.05612	6.2
197.08217	2.6
209.11873	86.1
211.07814	2.3
218.44977	1.2
227.12935	13.6
235.66655	1.2
253.09311	8.8
327.08554	1.4
331.17606	9.9
463.21954	74.7
495.92291	1.5
523.20428	1.9
523.28107	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	523.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58504	1.4
53.57869	1.4
57.03452	10.5
58.91256	1.6
59.01382	26.9
67.90563	1.4
71.01385	100.0
72.99316	42.0
73.02962	2.7
77.67719	1.4
78.95899	14.9
87.00880	59.3
89.02467	5.9
92.10149	2.1
93.03455	8.6
93.59425	1.7
96.69324	1.4
96.96011	71.7
96.96943	23.7
97.64773	1.5
99.00915	2.6
99.85144	1.5
101.02454	3.0
101.06098	2.7
108.02170	9.3
109.02985	1.8
109.21975	1.5
115.00372	26.6
116.89654	1.7
116.92864	6.6
117.01938	2.1
117.39263	1.6
117.40138	1.6
123.04506	2.7
129.01956	7.4
133.01389	2.0
135.04506	6.5
137.02457	17.8
147.03017	83.9
147.06686	19.3
161.02399	3.7
161.04503	1.9
165.05426	2.5
167.35928	1.6
179.03488	2.0
183.34506	1.8
191.05621	5.7
213.32391	1.6
315.07306	1.6
343.10327	2.0
375.07135	3.7
427.09778	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.204
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	1.3
59.01388	100.0
71.01383	43.8
71.01729	2.5
73.02957	6.0
75.00820	1.7
75.53421	1.6
85.02946	16.3
87.00849	2.5
89.02447	45.8
93.05721	1.6
95.01402	3.2
96.96004	20.4
99.00883	1.9
101.02419	20.1
104.40276	1.6
113.02482	19.6
115.00364	3.9
116.92848	1.9
117.23541	1.5
119.03526	17.6
123.68157	1.5
131.03517	1.7
138.01955	2.0
143.03503	2.6
148.91042	1.6
161.04543	9.7
175.02551	2.4
179.05620	28.9
179.07034	4.1
180.40517	1.8
191.05611	18.6
191.85506	1.7
192.05981	1.5
203.44691	1.8
227.09294	2.3
308.26370	1.6
389.14618	27.5
424.30646	1.8
463.17371	3.0
463.22336	7.5
473.74969	1.8
527.11951	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	521.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	30.2
61.71948	14.2
81.12252	13.7
83.03483	13.7
115.65305	13.9
127.23231	14.3
164.57570	14.8
164.99129	16.7
169.96455	16.0
175.14958	18.2
193.35091	13.5
199.61639	14.7
289.96313	16.2
381.12640	22.2
485.32947	28.2
521.30396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.11
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82916	0.3
59.01380	1.9
59.72246	0.2
61.60332	0.2
61.98000	0.3
65.03947	0.3
71.01395	4.9
75.00864	2.2
85.02954	1.3
87.00880	0.3
89.02419	0.4
90.45438	0.4
93.03460	57.7
96.96024	1.3
99.00873	0.3
101.02454	0.4
115.00402	0.5
121.02963	14.8
137.02457	100.0
153.09196	0.5
153.54895	0.3
177.04056	2.1
191.05582	0.4
196.67999	0.3
199.09763	2.7
226.00200	0.3
237.04082	2.0
241.10905	0.5
285.06232	3.7
293.11682	0.3
345.15619	0.6
523.20856	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	9.5
60.99308	1.0
71.01387	8.8
72.99300	0.8
73.02965	1.2
75.00894	1.4
81.03513	0.7
85.02968	3.7
88.98808	3.9
89.02461	5.4
93.03467	1.4
95.01416	0.6
99.00874	1.5
101.02443	3.0
110.43982	0.7
113.02438	3.1
116.92862	1.0
121.02969	8.0
123.04514	0.9
124.01711	0.9
125.02431	1.5
126.28131	0.7
129.01997	0.7
134.03712	1.2
135.04518	4.0
136.05284	0.7
137.02419	2.5
147.04523	4.0
148.05127	0.6
149.00635	0.8
149.02444	0.9
149.06097	3.2
150.03232	7.3
152.04715	0.8
158.03743	3.8
159.04529	11.2
160.05310	41.9
161.04712	1.3
161.06059	11.4
163.04065	5.6
164.04797	6.3
165.05467	0.7
167.01691	0.9
170.89839	0.6
173.04678	1.2
173.06073	6.4
175.07652	34.1
177.05568	8.2
178.06389	14.7
182.83934	0.6
189.10338	0.7
191.05611	4.7
192.06023	1.0
192.07825	1.6
193.08720	4.2
293.08752	1.2
308.32935	0.7
314.11917	0.9
325.11542	1.3
329.14008	100.0
330.14331	0.8
359.15085	4.5
361.78482	0.7
461.24405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42923	0.5
54.82656	0.6
59.01384	5.6
62.18696	0.5
69.32297	0.6
69.58443	0.5
71.01391	7.3
72.99338	0.6
73.02950	1.1
75.00892	3.5
83.01409	0.7
85.02953	5.3
87.00839	1.2
88.98796	2.5
89.02464	1.1
93.03482	0.9
97.02934	0.8
99.00887	1.4
101.02448	3.3
109.02975	1.3
111.00920	0.6
113.02461	1.1
119.05028	1.1
121.02959	7.0
122.03741	3.2
123.00866	0.9
129.01974	1.1
134.03751	1.4
135.04474	1.2
136.01640	0.7
136.05331	1.2
137.02454	0.7
139.00356	0.8
143.04951	0.8
147.04518	3.2
149.02431	2.7
150.03268	6.6
151.04005	1.4
155.10789	0.7
158.03726	3.1
159.04539	12.8
160.01680	1.3
160.05312	40.0
161.04695	1.2
161.06091	11.6
163.04015	6.0
164.04846	5.8
173.04680	1.0
173.05998	5.1
175.04047	1.1
175.07654	36.3
176.04832	1.2
177.04063	3.0
177.05595	9.6
178.06367	12.1
191.05589	4.7
191.07120	1.1
192.06137	0.7
192.07961	2.8
193.08743	5.5
235.06143	0.9
255.18579	0.6
271.02451	3.2
300.02789	3.5
301.03299	2.4
314.11716	1.4
329.14011	100.0
330.14301	1.2
359.15253	7.2
461.20361	3.4
463.09122	3.7
521.18469	3.3
521.25970	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96333	0.6
55.01881	0.6
59.01397	13.2
61.98848	3.7
62.90272	0.8
69.03470	1.0
71.01387	8.9
72.04015	0.7
72.99303	0.7
73.02971	3.7
78.95908	0.8
79.95719	0.7
81.03474	0.9
83.01421	1.2
85.02951	6.2
88.98798	1.2
89.02448	7.4
91.02856	0.6
93.03463	8.5
95.01389	1.5
96.96016	40.2
96.96961	1.2
99.00895	3.5
99.52130	0.7
101.02448	5.3
108.02189	75.1
109.02967	52.9
111.04501	1.2
113.02486	1.2
121.02962	100.0
123.00903	1.2
123.04520	2.9
125.02415	2.5
133.02928	1.2
133.05092	2.7
135.04524	3.9
137.02454	3.7
139.97667	0.8
149.04572	1.4
152.01173	52.5
153.01958	22.5
161.04578	0.8
161.09705	1.0
163.04022	0.7
168.00652	0.9
173.04626	10.0
175.06160	0.8
179.10800	1.5
185.11865	2.7
191.05675	5.7
192.19542	0.7
192.77808	0.6
225.60988	0.8
255.02963	1.0
269.53204	0.7
284.03293	0.9
285.03970	1.0
295.08212	1.2
296.08276	0.8
310.56616	0.8
313.27313	0.9
315.07257	4.4
326.05554	0.8
328.30499	0.8
359.17288	1.5
477.17813	15.5
503.15714	4.1
521.16638	30.8
521.33228	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	68.9
61.98827	3.5
71.01384	39.3
72.99303	3.7
73.02934	3.1
76.57906	3.2
85.02965	6.5
89.02448	53.4
91.01901	14.0
93.03458	20.5
95.01400	4.4
96.96020	15.4
101.02455	18.5
113.02464	16.2
116.92865	53.8
119.03495	14.0
121.02940	3.6
121.75567	2.6
123.00866	23.9
131.03542	3.4
135.00876	4.1
137.02441	40.7
138.03214	15.8
139.96338	3.6
153.05562	3.9
166.99870	40.8
178.99829	12.1
179.05585	15.7
182.02228	100.0
191.05685	3.6
197.04575	88.6
209.08176	6.7
254.47806	4.0
299.07846	3.3
521.11176	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	520.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79016	1.3
53.00117	1.2
54.13700	1.1
55.63742	1.2
59.01382	16.5
59.07814	1.3
59.20236	1.0
61.98838	6.6
71.87889	1.4
78.95908	48.7
80.18566	1.3
83.79903	1.2
87.22195	1.4
96.96983	6.5
152.99611	100.0
157.23288	1.7
171.00592	1.8
220.87834	1.7
264.98007	1.3
288.57803	1.6
311.78946	1.4
315.91824	1.4
433.23779	19.7
520.26935	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	521.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01390	10.8
71.01381	6.5
71.25247	0.8
71.30853	0.9
71.68571	0.9
72.99293	0.9
73.02947	1.7
74.75337	0.8
75.00868	1.4
82.62600	0.8
85.02965	5.8
88.98821	1.0
89.02431	3.5
91.01901	1.1
93.03455	8.4
95.01415	1.3
97.02930	1.2
101.02431	3.6
108.02186	95.4
109.02966	45.2
111.00898	0.8
113.02434	1.4
116.61160	0.8
119.01410	1.7
119.05053	1.3
121.02959	97.8
123.00888	1.3
123.04489	1.0
127.07732	0.9
127.65398	0.8
131.04919	0.9
133.03004	1.7
135.00891	1.8
135.04530	3.4
137.02452	4.9
147.00938	0.9
149.02472	7.3
150.03242	3.7
151.04008	1.2
152.01173	100.0
153.01953	29.1
155.10793	0.9
160.01599	1.2
161.02377	0.8
162.03186	1.0
163.03987	3.5
164.04784	6.0
165.01955	1.4
165.05473	1.1
167.03435	1.0
175.00354	15.7
175.03937	1.5
176.01166	18.6
177.01935	1.3
177.04047	1.6
179.03596	1.2
179.07184	5.1
181.09148	0.8
181.12314	1.4
183.10281	1.0
183.13852	1.3
190.02744	35.9
191.03540	19.6
191.05438	1.8
194.02084	0.9
195.03021	1.3
205.05084	24.1
209.04620	1.6
223.06114	3.8
243.12473	1.4
255.08810	1.6
315.07285	17.3
341.14047	1.1
353.08722	3.9
489.10489	1.0
521.13043	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95122	0.3
57.03458	0.3
59.01390	1.2
61.98839	29.8
64.14577	0.3
67.01897	2.3
71.01386	3.1
74.65668	0.3
83.05040	0.4
85.02963	0.4
93.03450	18.8
109.02967	0.6
111.00893	0.6
111.04526	4.1
113.02479	0.3
121.02953	22.7
127.15897	0.3
132.60153	0.3
135.04544	0.5
137.02448	3.7
144.89407	0.3
155.03535	4.3
161.02460	0.6
172.87456	0.3
173.04559	100.0
174.04901	0.7
248.25064	0.4
250.12303	0.4
293.44839	0.3
295.08286	43.5
457.11554	1.7
519.32196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49865	0.2
55.38535	0.2
59.01389	1.3
61.87229	0.2
61.98843	25.8
71.01385	0.5
83.05067	0.4
85.03008	0.3
88.98827	0.6
93.03471	1.7
111.04537	1.5
119.04973	0.3
121.02962	100.0
122.03283	0.4
133.02934	0.4
135.04524	1.1
155.03519	2.3
161.02452	1.6
173.04550	3.9
179.03488	0.4
191.05453	0.3
255.03098	0.3
262.74039	0.2
295.08267	32.9
335.07727	1.4
341.23074	0.3
397.38776	0.3
457.11548	1.2
519.33643	0.5
520.33789	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49512	0.2
59.01392	2.2
61.98843	100.0
71.01395	1.5
72.99337	0.2
75.00886	0.3
81.09291	0.2
83.12122	0.2
85.02977	0.3
89.02464	1.2
93.03434	0.5
100.12432	0.2
125.02399	0.5
148.05307	0.5
149.05638	0.5
177.03966	0.4
205.05099	0.2
216.72073	0.2
222.74547	0.3
255.02994	0.3
291.10870	0.6
293.08807	0.3
295.09317	0.4
374.77338	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.91105	0.3
60.03479	0.3
64.72310	0.3
76.56035	0.3
76.67618	0.4
79.03809	0.4
81.97468	0.3
103.78152	0.4
119.10875	0.3
142.61147	0.4
157.19009	0.4
192.09610	0.4
198.86296	0.4
265.52142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11932	0.2
59.01388	100.0
79.11185	0.3
92.10775	0.5
96.01225	0.3
109.92990	0.3
298.83258	0.3
319.72324	0.3
389.83264	0.3
451.53333	0.3
453.16537	0.3
459.38553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98850	2.3
77.61341	1.6
79.10672	1.8
92.10173	4.1
119.75960	1.8
125.17618	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	519.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21166	0.3
51.03336	0.4
58.02871	0.3
59.01390	100.0
61.98834	2.1
117.68361	0.5
122.68159	0.4
183.77153	0.5
264.68903	0.5
273.35016	0.4
333.84174	0.5
419.37827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.11
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38317	0.3
57.03460	0.6
59.01392	5.0
59.33595	0.3
61.98847	2.0
67.01895	2.4
67.09252	0.3
69.03466	0.7
71.01395	4.0
81.03452	0.3
83.01396	0.5
83.05038	0.7
85.02981	0.6
87.00916	0.4
89.02424	0.4
92.10042	0.5
93.03462	20.4
97.49172	0.3
101.02447	1.1
109.02982	0.5
111.00931	1.2
111.04533	5.3
121.02959	25.0
133.02965	0.6
137.02467	4.5
148.36555	0.4
155.03523	3.8
161.02478	1.3
173.04570	100.0
191.05675	2.0
195.13950	0.7
205.12315	0.5
223.13432	7.2
224.13777	3.9
224.77658	0.4
227.03720	0.4
253.09355	0.6
295.08276	39.8
335.07806	0.7
457.11603	3.0
459.23639	0.4
519.60144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3337
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
57.03438	0.5
58.00620	0.4
59.01389	3.5
69.03474	0.3
71.01399	0.4
73.02963	1.4
77.72457	0.2
85.02966	0.3
87.04547	1.1
99.04539	1.0
121.02975	1.0
121.06519	0.3
135.08159	1.2
135.16833	0.2
141.88063	0.2
147.08188	0.3
149.09744	1.2
225.42497	0.3
251.18037	1.2
253.19562	1.4
298.69522	0.3
301.21799	0.9
307.24393	2.9
335.27518	0.4
347.27460	1.7
358.23071	0.4
359.23645	0.3
363.27277	0.3
365.28622	1.7
371.27411	1.0
372.24789	2.1
373.25409	2.5
374.26172	0.5
375.27283	0.3
387.27097	1.8
389.28537	8.4
391.30438	1.7
405.27991	2.0
407.29706	0.9
435.29550	1.8
451.28577	1.7
453.30219	2.2
469.29700	0.4
501.32324	100.0
502.32587	1.6
519.33386	4.0
545.31488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.3
59.01389	4.9
60.99320	0.6
61.98836	1.9
71.01380	3.3
73.02949	4.5
79.86555	0.3
83.01389	0.6
85.02963	1.2
87.00868	0.3
88.98811	2.9
89.02453	1.8
90.04817	0.2
92.53331	0.2
93.03477	2.2
96.95995	0.3
99.00904	0.5
99.92578	0.4
101.02455	1.0
103.04028	1.0
107.05064	0.4
113.02472	0.3
115.92137	0.3
116.92871	4.0
119.05009	0.3
121.02966	100.0
122.03269	2.0
131.03516	5.5
133.02971	0.3
135.04544	5.0
137.02478	2.0
141.24815	0.3
145.02919	0.3
149.04535	0.3
151.04019	0.3
161.02501	1.0
163.04056	0.4
173.04561	1.3
179.10747	0.4
191.05566	0.5
211.07681	0.3
219.10571	0.3
255.03125	0.4
357.15601	0.3
397.11346	5.3
459.22357	1.1
475.19778	0.4
501.32663	0.3
511.51822	0.3
519.33362	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	519.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71783	0.6
58.56226	0.5
58.80805	0.6
59.01389	100.0
61.98846	5.1
65.71396	0.6
68.06043	0.6
73.56232	0.6
78.95898	2.9
91.04021	0.9
92.10825	1.1
152.99570	4.8
256.21826	0.7
439.32205	11.5
457.33289	1.5
473.32513	0.9
485.32910	14.2
519.33417	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	519.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96124	1.5
56.94941	1.7
57.27744	1.6
59.01386	33.6
61.98846	8.1
62.37224	1.8
69.52602	1.8
71.01400	9.7
73.02968	1.8
75.14998	1.9
85.01683	1.8
85.02965	4.4
93.03474	3.7
99.11644	1.7
109.02954	1.8
113.02509	2.0
116.92863	3.4
120.98963	1.8
121.02975	10.7
133.19487	1.8
137.02438	3.1
154.18713	2.5
172.05284	1.8
183.10278	7.6
183.20683	2.1
185.11894	1.9
191.05696	8.9
196.66022	2.2
299.48080	2.5
299.70688	2.2
357.26593	9.5
391.30490	2.8
439.52487	2.2
501.32373	11.1
518.32385	8.1
519.32892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3337
Annotation	Inokosterone 20,22-acetonide
Peak:m/z	Relative Intensity
59.01400	7.1
61.98838	3.2
69.87409	0.7
92.10136	1.6
92.72717	0.7
106.07635	0.9
121.02953	5.1
336.44360	1.0
357.25940	1.1
373.29037	3.3
455.88943	0.8
471.30328	6.4
475.33957	0.9
485.32797	34.2
501.32291	5.3
519.33313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83174	1.3
54.83424	1.6
58.00585	1.6
59.01386	95.0
61.98843	8.1
64.35249	1.5
64.37242	1.3
71.01387	58.8
72.99342	2.7
73.02943	23.2
83.01389	2.1
85.02971	8.6
86.60730	1.5
87.00913	1.7
89.02449	100.0
93.03461	48.9
96.57439	1.4
97.02928	2.2
99.00894	39.6
101.02446	30.9
107.05055	5.9
107.55086	1.5
109.03017	2.2
113.02464	6.1
115.00391	1.8
119.03522	2.9
119.05038	10.4
121.02957	43.3
125.02451	3.8
130.74809	1.4
131.03537	11.6
134.03754	2.0
135.04530	8.4
137.02451	54.7
145.02953	3.2
149.04570	48.5
155.03487	2.0
161.02441	1.9
161.04552	2.5
163.04033	2.1
165.09187	6.4
165.12935	1.6
165.77060	1.8
171.10242	2.5
173.04533	9.2
191.05658	18.3
205.08788	2.9
211.07791	2.5
221.06624	2.8
223.07559	2.5
227.03481	3.2
251.07779	6.5
255.02974	6.2
279.14874	1.5
284.03235	5.9
285.04068	2.7
292.75964	1.7
295.08270	2.6
300.02975	1.8
300.06488	1.9
309.07593	2.2
310.38409	1.7
351.79349	1.6
357.15298	1.5
362.84805	1.6
409.14993	1.9
459.22208	8.7
492.18863	2.8
499.18469	1.8
519.33246	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	519.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83012	1.0
55.01894	2.5
57.03458	1.5
57.18305	1.0
59.01389	66.3
60.99315	9.1
61.98832	8.4
64.00867	1.0
69.03453	2.3
71.01387	46.4
73.02947	14.8
83.01418	5.2
83.05036	1.2
85.02946	16.3
87.00922	1.7
87.04541	2.1
88.98804	47.4
89.02441	35.6
89.02917	1.6
92.10791	3.7
93.03487	7.7
97.02998	2.9
99.00884	14.5
101.02439	20.1
113.02454	10.7
119.05103	1.7
121.02959	19.8
123.00877	1.9
124.01720	6.7
125.02428	18.2
128.47171	1.3
131.03534	4.8
137.02458	6.6
143.03520	1.5
145.02974	2.5
149.00706	2.0
149.04547	12.9
149.99579	9.0
161.02649	1.3
161.04610	8.0
161.09781	6.4
163.04071	1.4
165.12926	5.9
168.00642	12.4
173.04594	8.1
179.10776	2.4
191.05659	8.0
192.99750	1.8
195.13794	1.3
204.04144	1.2
205.15955	1.4
223.13434	10.9
232.86308	1.4
233.06767	6.2
255.02972	1.8
285.04144	1.8
293.08713	9.5
331.06693	1.7
357.26654	5.2
409.31345	2.1
459.22403	30.4
459.28564	2.0
501.33026	2.6
519.15314	12.7
519.33228	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82665	1.0
57.03457	2.0
59.01108	1.8
59.01388	36.5
61.98849	3.4
66.25172	0.7
68.81463	0.8
69.03474	3.7
71.01386	11.5
72.99329	1.4
73.02941	0.9
73.44672	0.8
75.00872	1.1
81.03442	1.0
83.01398	1.8
85.02956	4.2
87.00930	0.9
89.02432	6.7
92.62829	0.9
93.02964	1.0
93.03462	9.4
95.01407	1.0
96.96027	1.3
99.00877	1.8
101.01879	0.9
101.02418	7.5
113.02458	2.1
119.03500	1.2
119.05004	2.0
121.02958	27.5
135.04465	1.2
135.11670	1.1
137.02443	5.5
145.02968	4.1
147.04585	1.5
149.04514	0.9
157.43430	0.9
161.04585	1.9
163.03972	1.5
167.10782	3.7
173.04567	12.7
179.14368	4.0
183.13972	0.9
191.05630	4.2
195.13924	14.2
205.12361	12.2
223.13431	100.0
253.09338	12.8
255.03018	1.2
284.03033	1.3
285.04108	1.3
295.08167	4.2
441.33514	1.8
459.22665	15.0
484.21970	1.0
487.58786	1.2
519.32672	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	519.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32022	0.2
54.52919	0.2
59.01379	1.1
60.47260	0.2
61.98841	0.3
71.01357	0.2
74.02499	0.2
81.55376	0.2
85.02946	0.5
92.10770	0.4
93.03452	0.4
96.96001	2.6
102.60358	0.2
116.05082	0.5
116.92857	0.4
119.05038	0.4
123.04527	73.8
124.04926	0.4
130.06673	0.3
135.04532	1.4
137.02510	0.3
137.17046	0.3
153.05594	100.0
154.05969	0.5
163.03926	0.4
191.05670	0.3
203.08302	1.1
220.00743	0.2
226.06377	0.3
241.05046	0.5
256.57520	0.3
271.07193	0.3
271.09845	1.3
315.10910	17.0
425.56082	0.3
519.14960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73527	0.6
55.01881	0.9
57.03465	0.8
58.23721	0.6
59.01390	24.2
69.03465	1.0
69.66146	0.7
71.01388	16.1
72.99308	0.8
73.02956	6.3
74.17889	0.8
75.00880	0.7
83.01398	1.0
84.79115	0.7
85.02959	7.8
87.00887	1.3
89.02460	12.7
97.02941	1.1
99.00835	0.9
101.02452	12.1
111.87402	0.8
113.02465	4.9
116.92867	5.7
117.03468	3.6
119.03491	1.6
121.02954	3.0
128.77196	0.7
131.03528	1.2
131.07184	0.8
132.02191	18.2
133.02971	3.8
134.03748	60.1
135.04475	3.4
137.02451	0.8
147.04518	4.4
148.05321	3.0
149.06094	9.7
160.01674	100.0
161.02269	1.5
163.06149	1.6
168.31612	0.8
175.04018	91.1
176.04800	12.9
177.01942	1.5
178.02722	6.4
181.07210	12.1
191.07159	15.9
193.05081	55.7
205.07262	1.3
207.06686	5.6
217.04935	1.1
220.03798	2.8
228.10915	0.8
235.06155	30.4
245.67245	0.9
265.07217	4.9
295.08353	6.2
329.53943	0.9
337.09396	3.4
355.10397	4.1
358.13553	0.7
519.17249	76.8
520.17737	0.9
526.45697	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	21.3
71.01388	13.9
73.02966	2.4
84.35358	1.2
85.02962	3.0
89.02438	12.8
89.66191	1.3
92.10144	2.7
101.02438	11.6
113.02448	3.0
116.92860	5.2
117.03481	3.0
118.37380	1.0
119.03513	1.7
127.15183	1.2
132.02148	18.2
133.01447	1.2
134.03741	74.6
135.04512	8.7
136.89546	1.2
147.04520	2.6
149.06093	6.5
160.01665	99.8
161.02347	2.0
163.06122	2.0
175.04016	100.0
176.04817	11.2
177.01982	1.7
178.02766	4.8
178.59435	1.2
181.07216	7.5
191.07185	11.6
193.05067	64.4
207.06688	2.2
220.03706	1.4
235.06151	21.1
264.00470	1.3
265.07205	3.0
295.08331	2.9
297.09695	1.3
304.54474	1.3
325.11469	6.2
436.19727	1.3
519.17285	78.6
543.33319	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	10.4
61.98831	0.5
68.99588	2.3
71.01375	6.5
73.02954	1.1
78.55719	0.5
83.01405	0.5
85.02963	3.2
87.00896	1.1
89.02451	5.8
93.03445	1.3
96.96030	4.8
97.02962	0.8
101.02455	5.4
109.02941	0.7
112.98596	0.9
113.02451	2.9
119.03452	1.3
119.04993	0.5
121.02959	100.0
125.02480	1.1
135.04523	3.2
136.05238	0.6
150.06870	2.1
151.07657	2.1
161.04585	0.5
163.04100	0.8
165.01938	71.4
179.05693	0.8
191.05612	12.5
239.10979	0.6
353.09070	0.8
475.18234	1.1
491.12411	0.8
519.17297	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	519.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.2
59.01389	5.0
60.99318	0.6
61.98836	1.6
62.05047	0.2
71.01387	3.7
73.02959	3.8
82.61663	0.3
85.02963	0.5
87.00887	0.3
87.70379	0.2
88.98811	4.3
89.02470	1.3
93.03461	2.2
96.96062	0.3
99.12882	0.3
101.02435	1.2
103.04014	0.5
109.02972	0.2
113.02435	0.5
115.92076	0.4
116.92864	3.3
119.05027	0.3
121.02958	100.0
131.03493	6.6
135.04526	4.7
137.02458	1.7
145.02951	0.3
159.88672	0.3
161.02434	1.0
161.04498	0.4
163.03967	0.5
173.04588	1.5
179.10757	0.4
191.05579	0.5
227.03497	0.3
255.02989	0.4
285.04080	0.4
348.08646	0.3
397.11447	4.9
456.13251	0.4
459.22311	1.2
519.33392	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	519.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48106	0.2
56.73217	0.2
59.01393	1.4
66.49056	0.2
68.73024	0.2
71.01384	19.0
75.00865	2.7
75.99355	0.2
77.93333	0.2
79.27708	0.2
87.00870	0.2
89.02434	0.5
89.69273	0.2
90.43101	0.2
93.03455	0.3
93.86794	0.2
115.00386	9.2
116.92873	1.8
119.05015	1.6
121.02964	100.0
125.08955	0.3
134.03833	0.3
135.03009	8.9
135.04550	0.3
163.04041	2.5
176.45168	0.2
191.05522	0.5
237.04074	9.9
281.06775	1.5
361.20874	0.2
423.06384	0.3
447.09924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32841	0.1
52.68005	0.1
55.18057	0.1
55.36068	0.1
59.01388	1.3
61.98845	0.6
62.47452	0.1
65.03955	0.3
71.01006	0.3
71.01388	7.0
72.99316	0.3
89.02440	0.7
92.10798	0.4
93.03460	76.0
94.03796	0.2
96.39675	0.2
99.00916	0.2
109.03052	0.2
115.00384	7.5
116.92854	0.2
119.05013	0.3
121.02966	4.3
133.01448	6.5
135.04561	0.6
137.02460	100.0
138.02788	0.4
163.04103	0.2
168.17902	0.2
173.04532	0.7
187.23265	0.2
191.05688	0.2
255.03131	0.2
275.82349	0.2
295.08218	0.2
315.50723	0.2
395.89038	0.2
403.10403	4.4
403.14944	0.2
413.39026	0.2
519.32092	0.3
537.13947	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88346	0.7
59.01392	10.7
61.98852	5.7
62.33742	0.9
66.10105	0.8
78.95912	49.2
80.55207	1.0
84.09801	0.8
85.63707	0.9
88.82027	0.9
96.96962	8.5
103.90240	0.9
126.50986	1.0
150.98074	1.2
152.99603	100.0
171.00681	1.6
405.26840	1.0
431.22083	18.4
517.30615	1.2
518.25372	4.3
518.31555	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	518.261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81744	0.5
59.01391	2.3
61.98843	100.0
64.49008	0.4
69.84159	0.4
97.42768	0.5
101.12844	0.4
151.36713	0.4
337.55469	0.5
469.53574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.8
61.98837	100.0
62.66790	0.3
76.32388	0.4
101.74680	0.3
111.88167	0.4
121.45025	0.4
129.56084	0.4
138.30069	0.4
145.23700	0.4
147.21619	0.4
190.23712	0.5
428.73557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82903	1.3
59.01387	18.5
59.88613	1.1
60.68254	1.3
61.98834	100.0
64.34899	1.1
83.81960	1.1
92.10107	3.9
99.88656	1.2
110.80747	1.1
130.77878	1.2
134.05206	1.2
154.25404	1.1
221.44633	1.1
480.13156	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82768	1.9
59.01387	100.0
59.53540	1.8
61.28434	1.5
61.98848	1.8
67.47540	1.6
94.82270	1.9
116.55106	1.9
117.89938	1.9
133.04961	2.1
181.70714	1.6
201.55214	1.8
202.66998	1.9
291.82080	1.8
455.35577	4.4
457.35715	3.1
469.24304	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	517.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35505	2.9
53.73749	2.9
55.37215	3.0
59.01388	100.0
70.83109	3.3
76.13774	3.3
81.66525	3.6
94.42818	3.9
97.00155	3.8
134.78146	3.6
316.33215	4.0
455.35562	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	518.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92465	0.3
53.83758	0.3
59.01391	1.8
71.01389	1.5
79.05546	0.3
85.02959	8.1
85.03453	0.4
87.00894	2.0
92.10767	0.7
93.03431	3.1
96.96017	3.8
109.02971	0.5
111.04526	0.8
121.84612	0.3
127.04041	2.4
133.03004	0.4
135.04538	1.3
161.02431	1.3
164.03569	0.5
173.04558	0.8
176.22806	0.4
191.05644	100.0
192.05957	0.6
283.91556	0.4
353.08838	6.1
374.79678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90825	0.3
55.77657	0.3
59.01389	2.5
61.98834	2.0
66.24804	0.4
70.66846	0.4
78.95901	47.2
83.92000	0.4
96.96943	7.5
105.51713	0.4
106.39676	0.4
123.54803	0.4
136.42270	0.4
147.43817	0.4
150.98055	2.1
152.99597	100.0
171.00621	3.5
267.79120	0.4
277.21869	0.9
347.38602	0.5
377.56183	0.4
431.22110	16.9
487.34579	0.5
504.06570	0.4
518.25323	4.4
518.31934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09444	0.6
59.01398	1.6
61.98862	0.7
67.78270	0.6
75.60503	0.7
92.10085	1.4
111.69793	0.7
129.24672	0.7
151.85513	0.7
164.68977	0.7
180.50650	0.7
204.90594	0.8
425.71808	0.7
440.79028	0.9
471.34879	100.0
472.35129	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45226	1.1
59.01391	100.0
61.35014	1.0
61.98835	1.7
62.63985	1.1
70.57058	1.1
72.01828	1.5
80.21781	1.1
84.82926	1.2
101.73158	1.4
121.02939	1.4
145.25197	1.4
230.86830	1.3
262.18457	1.4
398.16098	1.6
405.30975	1.3
411.31671	1.4
423.29156	1.8
442.78549	1.5
453.29761	2.2
455.31949	2.5
469.29797	7.9
473.32147	14.7
487.30899	2.8
517.31506	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15602	1.2
51.41262	1.2
58.46367	1.3
59.01377	15.6
60.21922	1.4
61.98837	6.9
72.03254	1.5
75.93948	1.5
77.25819	1.3
85.02998	1.9
98.71098	1.4
121.03026	2.1
159.66133	1.9
201.18030	1.6
240.48604	1.5
284.58273	1.6
338.31830	2.2
373.29257	10.6
375.26974	2.5
391.30063	9.2
419.71832	1.8
423.28903	2.5
455.31668	6.2
457.33200	3.4
469.29691	2.4
485.32773	100.0
487.30966	2.5
499.29858	10.2
517.31183	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30392	1.3
59.01388	100.0
60.00588	1.3
61.69387	1.1
63.86028	1.0
89.43378	1.4
144.42865	1.5
173.13390	1.5
194.31136	1.6
298.84647	1.5
378.65829	1.6
379.29950	1.8
455.35306	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	517.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08316	0.5
51.55880	0.3
56.78295	0.4
78.56122	0.5
106.90852	0.5
116.93597	0.4
176.29428	0.5
199.18793	0.5
222.18230	0.5
238.40695	0.6
275.54004	0.5
379.54031	0.5
441.92581	0.6
469.29669	85.0
470.29968	2.7
487.30582	5.8
517.31799	100.0
518.32166	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	1.6
59.01398	9.0
67.80701	0.9
70.01126	0.9
71.01408	2.0
80.12791	0.9
85.02981	2.4
87.04563	1.6
93.03449	1.3
96.00206	1.0
121.02966	2.4
124.14467	1.0
165.52557	1.2
191.05557	1.6
200.56873	1.0
202.35077	1.1
274.06763	1.1
310.10324	1.1
407.29965	1.5
451.28592	8.5
469.29837	9.8
487.30762	26.2
517.31848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62217	1.0
59.01400	9.1
61.98840	1.3
62.03936	1.0
64.35146	1.0
108.99236	1.2
128.20375	1.2
150.75519	1.3
194.30263	1.1
214.26636	1.2
258.37717	1.0
290.51938	1.1
450.70468	1.6
471.34869	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90029	0.5
59.01389	4.6
61.38130	0.5
61.98851	2.3
68.33800	0.5
71.01407	0.6
73.02953	0.6
77.62923	0.6
83.01432	0.7
83.90472	0.6
86.85165	0.6
94.49866	0.7
120.34261	0.6
121.02943	1.1
122.00858	0.8
187.71227	0.6
293.21243	11.7
356.50256	0.7
407.25745	1.0
423.29138	4.3
436.26279	0.8
439.28802	2.7
441.30423	2.3
451.28629	3.5
457.29684	3.7
469.22940	1.1
469.29657	42.4
487.30887	10.7
517.31824	100.0
518.32184	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	517.3184
Annotation	Presenegenin
Peak:m/z	Relative Intensity
50.09455	0.4
50.83898	0.4
53.48986	0.5
54.82602	0.5
55.90768	0.4
57.03458	0.5
58.57197	0.5
59.01381	3.7
61.98843	1.9
62.38885	0.4
68.65956	0.4
73.02959	2.0
75.86686	0.4
82.25034	0.5
86.85294	0.5
93.03470	0.8
121.02987	3.0
134.35492	0.5
135.08165	0.6
146.35582	0.5
147.08163	0.5
172.90120	0.5
186.06059	0.5
191.05695	1.0
223.07486	0.5
285.04459	0.5
293.22867	0.8
309.20743	0.8
336.01123	0.6
347.27356	0.9
361.25598	0.6
371.23688	1.0
385.25797	0.8
387.27130	5.2
403.26184	0.7
405.28098	0.8
409.28342	0.5
451.28415	0.7
464.09024	0.6
469.29340	1.0
471.31271	2.0
481.31689	0.7
517.31805	100.0
518.32245	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82925	0.5
60.91088	0.5
74.29700	0.4
75.31038	0.5
90.38295	0.5
97.11827	0.5
101.24108	0.6
105.88036	0.5
181.20189	0.5
213.77357	0.5
309.13428	0.6
398.12997	0.7
451.28461	0.9
469.29678	93.9
470.30020	0.8
487.30734	6.1
517.31812	100.0
518.32141	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	517.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.8
56.16656	0.9
57.03471	8.4
59.01395	32.9
61.98831	2.3
67.01913	1.5
69.03474	2.9
71.01392	49.3
72.99310	10.4
73.02966	5.9
75.00881	16.6
82.95459	2.4
83.01402	5.4
85.02956	37.0
87.00901	5.7
88.98833	4.6
89.02444	13.5
90.54929	1.1
93.03461	13.8
96.96010	12.7
99.00873	12.3
99.04541	1.1
99.92594	4.7
101.02462	6.4
107.05060	1.4
109.02985	2.7
111.00888	1.9
111.04542	2.5
113.02453	2.5
113.86903	1.1
115.00376	28.4
116.92868	43.9
119.03631	1.4
119.05015	21.2
121.02957	49.3
121.72857	1.1
123.08141	1.4
127.04000	2.8
129.01958	17.9
133.01448	18.9
135.03017	1.9
135.04532	25.3
135.11792	8.8
137.02452	2.5
145.02998	1.5
147.04507	5.0
159.02998	2.2
161.02435	11.1
161.09776	1.3
163.04070	5.2
173.04613	13.8
175.03981	4.8
177.04070	19.3
179.03555	6.4
179.10800	44.2
191.05641	100.0
195.05151	9.3
202.06403	1.8
206.08270	1.5
207.08698	1.6
211.07613	2.3
217.54892	1.2
218.75336	1.2
219.02979	2.7
223.09763	14.4
251.07176	1.8
279.10870	1.5
325.07346	8.5
355.09790	1.4
392.50577	1.4
401.14569	77.2
481.17493	1.9
517.15411	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	517.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82999	1.5
55.01899	2.3
57.03465	9.1
59.01390	83.0
60.88389	1.1
62.76554	1.2
69.03479	7.7
71.01389	71.1
72.99337	2.7
73.02975	8.3
75.00881	22.7
77.47762	1.3
78.08233	1.3
81.03478	1.8
82.95441	6.0
83.01424	7.4
85.02968	35.3
87.00875	14.9
87.04531	1.6
89.02457	45.0
93.03484	7.1
95.01397	5.8
95.73155	1.4
96.96021	2.2
97.02971	7.5
97.96328	1.3
99.00911	11.1
101.02450	29.1
108.02230	1.7
111.00882	1.6
111.04555	1.6
113.02460	15.4
115.00378	8.2
115.83606	1.4
116.92913	1.5
119.03525	17.1
119.04990	1.8
121.02972	5.4
125.02454	16.3
129.01953	12.5
131.03471	5.4
133.01462	3.0
133.06607	31.7
135.04547	12.2
135.11810	7.4
136.04858	5.7
143.03537	2.6
149.04559	2.1
149.13309	1.4
161.02440	2.3
161.04561	6.0
161.09700	6.1
165.05548	1.7
173.04610	2.4
175.04010	1.8
177.04056	50.6
178.48476	1.4
179.03534	5.7
179.05650	9.3
179.10786	28.0
180.03816	3.2
191.05650	41.8
192.05946	6.1
193.06209	2.9
195.05069	3.1
211.07602	1.4
221.06729	5.9
223.09761	3.4
241.05014	2.8
256.07532	1.8
263.07785	3.3
271.09708	3.4
323.09940	29.6
353.08685	1.4
354.08844	2.8
355.09314	3.0
383.13544	3.0
401.14572	100.0
517.15045	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	517.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
57.95134	0.3
59.01393	8.2
59.18043	0.3
60.99318	17.3
61.98845	0.5
66.25376	0.3
69.03491	0.3
71.01034	0.3
71.01389	3.2
72.99329	0.4
73.02949	0.5
75.00887	1.6
78.95862	0.4
83.05018	0.5
85.02979	1.7
87.00896	0.7
88.98817	100.0
89.02451	2.2
93.03447	1.9
96.95993	0.7
99.00874	0.5
101.02422	0.8
108.62049	0.4
109.06597	0.4
111.00867	0.4
116.92870	0.7
119.03559	0.4
119.05070	0.5
121.02943	3.6
129.01944	0.4
135.04544	2.5
145.02982	0.5
152.01198	0.4
153.64066	0.4
160.01649	0.5
163.04089	0.5
173.04533	1.5
174.03339	0.4
175.04025	0.5
176.03978	0.5
177.04025	1.9
179.03613	0.4
179.10779	1.9
190.95113	0.4
191.05669	5.2
247.73834	0.4
293.18173	0.4
401.14499	2.3
448.57233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.4
57.03459	9.2
59.01393	16.4
70.24693	0.9
71.01396	28.2
72.99330	2.2
73.02976	4.4
74.63618	0.9
75.00886	28.6
83.01411	2.1
85.02970	17.6
85.83625	0.9
87.00887	11.9
87.04544	1.0
88.92984	0.9
89.02462	6.9
97.02954	4.0
99.00891	7.6
101.02466	4.0
103.00398	1.0
113.02464	1.5
115.00378	8.0
121.02963	14.3
129.01955	13.1
133.01448	1.9
135.11818	5.9
142.80121	1.0
150.35254	0.9
154.64186	0.9
159.03014	1.8
159.08157	1.6
159.11833	1.0
161.09738	4.5
177.04066	52.1
179.10794	25.1
179.31622	1.0
191.05618	4.1
193.35736	1.1
195.05157	3.5
223.09814	5.0
258.64603	1.0
355.60541	0.9
357.15573	3.8
383.13464	5.6
384.08954	1.1
401.14590	100.0
402.15079	1.7
517.15851	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	517.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47665	0.7
57.03474	1.1
59.01394	24.8
61.98850	3.6
71.01392	6.1
73.02962	1.8
73.47836	0.8
73.84349	0.8
75.00877	2.0
82.95490	1.0
83.01419	1.0
85.02966	4.2
87.00877	1.8
88.98800	1.6
89.02447	1.7
91.17208	0.8
93.03456	4.3
96.96016	4.4
98.02484	4.6
101.02470	2.1
107.03773	0.9
108.04577	40.5
113.02423	1.3
116.92871	4.3
118.03000	91.2
119.05031	4.6
120.04537	4.5
121.02959	12.4
129.01913	1.4
132.04584	1.1
134.02498	10.2
134.06120	3.9
135.03024	1.4
135.04529	11.1
137.02466	1.1
144.04575	87.2
145.02971	4.9
161.02385	0.9
162.05630	94.8
163.03932	1.7
173.04602	1.1
177.04054	3.2
179.03470	4.2
188.03569	100.0
191.05620	5.6
206.04506	1.2
207.07741	6.0
227.03587	1.2
233.05742	11.3
234.16557	1.0
237.06104	1.7
251.06958	0.9
255.02985	1.3
255.10078	0.9
256.84064	0.9
278.45575	0.9
284.03262	1.1
285.04028	1.0
341.09271	1.0
401.14343	1.2
443.28015	3.3
517.14667	51.6
517.30865	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38720	0.6
52.42323	0.7
53.81004	0.7
56.58247	0.7
57.03454	7.1
59.01387	17.6
62.64540	0.8
63.71002	0.7
69.03459	1.3
71.01378	27.4
71.01710	1.3
71.57282	0.7
72.99325	5.3
73.02956	2.1
75.00871	28.3
78.73096	0.8
83.01447	1.1
83.84142	0.8
85.02953	16.5
87.00881	13.9
89.02452	4.1
93.03450	1.2
97.02966	1.7
99.00884	9.2
101.02446	4.4
111.00854	0.9
113.02479	1.5
115.00370	12.4
115.04097	0.9
118.42433	0.9
121.02984	4.0
129.01947	13.2
133.01424	6.8
133.06622	5.1
135.04549	1.3
135.11818	5.7
139.98679	0.9
159.02998	4.0
161.04579	0.9
161.09799	1.8
165.79338	0.8
173.04491	1.1
177.04066	64.1
179.10786	21.1
191.05632	1.4
195.05121	4.8
223.09772	3.6
237.06200	1.2
357.15543	7.0
383.13623	4.6
399.09769	0.9
401.14566	100.0
402.14981	1.3
457.17258	1.8
464.58212	1.1
517.15326	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	517.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82788	0.3
59.01383	3.3
61.98842	0.3
62.97622	0.3
71.01388	1.5
73.02966	0.3
75.98389	0.3
85.02968	0.3
86.25239	0.3
89.02422	0.4
92.10751	0.5
93.03471	0.4
96.96030	5.1
98.95605	3.1
98.96430	0.4
99.00880	0.5
99.92595	9.7
100.93385	1.7
105.01957	0.8
115.92097	7.8
116.92878	6.7
119.05036	100.0
121.02966	12.0
135.04512	1.3
136.70567	0.3
145.03038	0.7
159.96234	0.8
161.07970	0.3
163.04027	57.6
171.48715	0.3
173.04591	0.4
177.03998	0.5
177.94691	0.4
179.03769	0.3
184.95410	0.5
191.05611	0.5
195.13914	0.5
205.96854	0.5
226.96469	2.3
236.94987	0.7
249.95709	0.6
295.19562	0.4
429.12057	2.5
517.05719	0.6
517.13428	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43817	0.3
57.03455	1.4
59.01391	8.5
61.98827	1.5
70.13405	0.3
71.01380	2.7
73.02950	0.7
75.00896	1.5
76.58312	0.4
82.95426	0.9
83.01439	0.4
85.02971	2.3
87.00902	1.6
88.98805	0.5
89.02452	2.1
93.03450	3.7
96.96021	6.9
97.06563	0.4
101.02457	1.8
105.01965	0.6
109.02932	0.4
113.02465	0.6
116.92877	0.5
117.03470	1.9
119.05034	100.0
121.02955	9.3
135.04538	2.7
137.02444	0.5
145.03000	3.3
145.06654	3.3
147.04495	0.4
160.01828	0.5
161.02504	0.4
161.04576	0.4
161.06044	0.6
163.04024	42.4
163.07681	0.8
173.04550	1.7
177.04056	0.7
189.05618	1.7
189.08385	0.4
191.05670	5.1
193.06680	0.5
195.08142	1.9
207.06696	0.5
222.75920	0.4
223.07709	11.3
223.09851	0.7
233.04578	0.6
251.05699	0.7
356.45090	0.4
374.62473	0.4
391.53952	0.4
401.14465	0.7
429.11966	20.3
517.13440	2.9
517.32019	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	517.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	6.1
69.29950	0.8
70.26498	1.0
71.01386	8.2
79.95750	1.0
85.02984	2.1
87.00949	0.9
89.15962	1.0
93.03461	1.1
96.96019	61.8
97.95972	1.9
98.95620	43.4
98.96447	7.2
99.00919	5.9
99.92596	100.0
100.93374	11.6
108.02159	1.6
115.92088	84.6
116.92871	59.1
116.93712	1.8
119.05051	4.3
121.02965	23.7
122.81599	1.0
135.04546	1.4
135.12114	1.1
142.94478	2.1
151.03992	1.7
159.96245	16.4
163.07794	1.1
169.93097	1.4
170.93997	1.8
173.04526	1.4
184.95502	7.8
191.95204	1.8
193.96803	2.1
196.95522	1.6
205.96846	8.2
208.95570	2.1
226.96573	22.1
234.97058	7.4
236.95020	18.8
249.95796	7.4
289.95654	1.1
338.99557	1.1
346.21112	1.1
349.00278	6.4
367.01498	8.1
444.42542	1.2
481.02594	1.8
517.04510	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	516.246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21811	0.2
59.01390	1.2
60.46944	0.2
61.76750	0.2
61.98837	100.0
75.89574	0.2
92.10117	0.5
129.33208	0.2
155.30850	0.3
215.25684	0.2
215.95078	0.2
291.19711	0.2
398.31946	0.3
410.31784	0.4
471.31213	0.4
472.31671	4.0
481.07913	0.3
501.47388	0.3
516.03442	0.3
516.30463	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	516.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69864	0.6
59.01392	12.9
71.01384	24.7
71.05023	15.6
73.02959	2.9
78.95929	1.2
85.02970	4.4
87.00906	0.8
88.04048	10.5
89.02445	15.4
90.11578	0.7
93.03472	1.8
95.01388	0.9
96.08656	0.7
96.96011	25.2
96.96964	1.7
97.02980	0.7
97.95998	0.8
99.04521	7.5
101.02438	4.3
101.65012	0.8
108.02184	60.9
109.02966	27.0
113.02453	5.2
116.07182	1.5
121.02957	1.6
123.04478	0.9
125.02547	0.7
129.01910	0.8
135.04549	1.1
146.08252	22.9
151.04045	2.8
152.01175	84.2
153.01952	24.4
161.04520	1.7
163.04074	5.4
165.01964	1.1
179.05606	3.7
183.98740	0.9
191.05603	1.8
194.90520	0.7
195.03093	0.8
218.10338	1.8
297.06219	3.4
315.07394	4.5
323.09900	9.4
369.08380	6.5
456.15195	3.3
516.17322	100.0
517.17871	1.3
521.99207	0.9
531.63647	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02525	0.3
55.80479	0.3
59.01378	1.2
60.03994	0.3
61.98835	100.0
83.17225	0.3
101.73318	0.3
160.23633	0.3
164.73561	0.3
223.38747	0.3
292.19946	0.5
406.68405	0.3
429.03586	0.3
469.29742	3.3
516.30536	4.7
517.31696	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	516.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90721	0.5
54.15995	0.4
59.01392	11.6
60.01716	0.6
61.98840	8.0
70.08001	0.5
71.01388	0.7
71.10715	0.4
72.52484	0.5
72.97769	0.5
73.02959	3.7
85.02051	0.5
99.00911	2.8
99.92586	11.5
112.60067	0.6
116.92863	100.0
116.97237	2.6
117.01962	5.3
117.02688	0.6
117.83451	0.5
121.02965	2.5
173.04559	0.6
191.05704	0.9
192.76250	0.5
195.50053	0.5
241.03206	0.6
421.74106	0.6
515.30182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47099	0.9
54.83315	1.0
58.98184	0.8
59.01392	4.3
61.98837	100.0
71.01406	1.0
71.34157	0.9
76.58425	1.0
93.03470	1.2
99.10431	0.9
109.02981	7.1
111.74460	0.9
121.02973	2.3
135.04507	12.5
146.03679	1.0
147.04532	4.5
159.04517	6.7
173.06100	5.4
176.04825	6.4
184.13145	0.9
186.06935	1.1
187.04164	1.0
187.07706	4.4
189.05727	1.2
199.07527	1.5
200.04810	1.2
200.84380	1.0
205.08772	8.1
211.07594	1.0
214.06427	1.4
215.07166	5.5
216.07915	1.6
217.08783	16.0
226.06358	2.3
227.06783	1.1
229.08714	2.0
234.98471	1.1
255.10374	9.3
257.40717	1.0
273.02271	1.1
292.07333	1.4
321.11288	2.0
340.14001	1.0
347.13013	1.3
365.14041	18.8
393.55386	1.0
457.69275	1.2
472.31699	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3748
Annotation	3beta-Acetoxy-12beta,13beta-epoxy-11alpha-hydroperoxyursane
Peak:m/z	Relative Intensity
59.01389	100.0
80.28258	0.4
81.52534	0.4
92.82971	0.4
95.61246	0.4
145.47169	0.5
294.24200	0.5
301.21216	0.4
358.59698	0.5
403.10278	0.5
409.82037	0.5
455.35406	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	515.3747
Annotation	3beta-Acetoxy-12beta,13beta-epoxy-11alpha-hydroperoxyursane
Peak:m/z	Relative Intensity
55.36730	0.3
59.01379	0.7
60.87689	0.3
61.98835	3.0
64.47901	0.3
73.96404	0.3
77.46992	0.4
83.67493	0.3
92.13886	0.3
125.87347	1.8
126.88118	1.5
127.87000	1.3
128.87827	0.7
157.86273	0.5
159.86002	0.5
201.62576	0.4
405.10681	1.5
406.10999	1.9
407.10507	1.4
440.41583	0.4
455.35413	100.0
456.35974	1.2
478.13394	0.6
479.13931	0.5
480.13876	0.4
515.31110	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21813	1.1
51.49195	1.2
54.61209	1.1
59.01155	1.0
59.01386	12.9
59.18258	1.3
60.60745	1.1
60.61054	1.1
61.98830	7.0
65.54655	1.2
66.19952	1.2
66.35818	1.2
67.63377	1.3
76.80908	1.4
77.41898	1.4
80.13328	1.3
85.02952	1.9
96.44492	1.7
107.12997	1.3
121.02903	5.1
123.01981	1.4
135.04477	1.5
173.04527	1.6
191.05655	1.9
209.11726	1.7
446.15176	1.7
467.28146	70.2
485.29016	3.3
497.26831	1.8
515.30194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.7
59.01398	1.3
63.96249	100.0
64.97039	2.8
70.10116	0.6
75.66137	0.7
177.09560	49.4
177.11098	1.8
188.07198	0.7
230.78592	0.8
515.32074	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3381
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
54.55246	1.4
59.01392	11.7
61.98846	2.0
66.98235	2.0
82.95406	1.8
93.43546	2.0
119.79210	2.1
152.99512	2.2
187.08997	1.9
244.70236	2.5
279.72147	1.9
364.47119	2.1
469.33463	10.3
515.33966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3022
Annotation	Adynerin
Peak:m/z	Relative Intensity
51.45844	0.4
55.01897	1.1
55.35069	0.5
58.00602	0.5
58.30331	0.5
59.01390	3.1
61.98841	0.6
65.60034	0.5
72.99313	9.0
92.90161	0.5
101.99591	2.7
194.38177	0.5
205.34660	0.6
355.26730	0.7
395.29568	0.8
402.25473	0.5
409.27530	2.7
411.29108	2.9
439.28571	44.2
441.30273	2.3
443.31262	0.6
453.30182	3.2
455.31796	0.7
457.29648	4.5
471.30707	1.0
515.30219	100.0
516.30591	1.1
528.91705	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31662	0.6
57.21416	0.5
59.01397	4.8
61.98862	0.8
62.86318	0.5
64.81197	0.6
69.95013	0.6
85.68845	0.6
86.45152	0.7
86.70616	0.6
89.56001	0.6
101.22107	0.6
115.34352	0.7
121.02940	1.1
163.33878	0.7
165.73045	0.6
193.80576	0.7
197.91649	0.8
201.06154	0.7
212.61327	0.7
294.20181	0.7
355.41229	0.8
397.31201	7.9
409.31161	11.0
423.29227	0.9
427.32135	6.3
467.28229	0.9
471.31219	100.0
472.31149	1.2
515.30225	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82444	0.9
59.01394	12.2
60.91829	0.9
61.98845	7.6
68.25466	1.0
69.87071	1.2
72.56970	1.1
86.52650	1.2
88.66251	1.0
112.21019	1.1
119.41642	1.3
120.67967	1.1
134.72751	1.4
137.66733	1.1
173.02367	1.1
182.76445	1.2
287.22543	1.5
370.61273	1.2
447.30881	1.3
471.31378	5.6
515.30194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3023
Annotation	Adynerin
Peak:m/z	Relative Intensity
53.22451	0.5
53.92753	0.5
59.01393	5.2
68.33413	0.6
72.58501	0.7
72.99319	0.8
85.02117	0.6
85.02926	0.8
104.21110	0.6
110.54178	0.7
155.94119	0.6
165.22173	0.6
203.82748	0.7
250.77487	0.6
441.30255	2.5
467.28079	1.1
485.28906	0.9
507.62891	0.8
515.30219	100.0
516.30554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96175	10.1
59.01386	80.5
61.98837	43.4
77.97162	12.1
84.95148	11.8
89.88304	10.7
92.10846	12.2
92.66928	12.3
103.87885	10.0
121.02976	57.3
132.01393	14.1
144.19379	10.7
163.20241	11.1
185.84659	12.5
213.14958	53.7
255.31769	12.0
385.98648	13.5
443.45621	13.0
467.27148	15.5
471.31061	100.0
515.30145	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	515.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94611	1.0
59.01389	100.0
61.98842	8.6
63.61288	0.8
69.03473	1.4
69.96615	0.8
71.01398	4.6
71.05024	5.0
75.90569	0.9
85.02979	0.9
96.96004	1.1
116.92876	6.8
121.02974	9.7
135.04567	1.0
145.02962	1.0
149.02330	1.1
151.32762	0.9
164.82753	0.9
168.88795	1.1
191.05688	1.9
194.88206	0.9
221.08224	8.8
249.79366	1.1
284.55481	1.0
315.55530	1.0
381.12036	7.5
471.31128	11.5
515.30017	4.3
521.97083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48059	0.6
59.01388	100.0
61.98830	5.8
71.01379	8.7
71.05047	1.0
85.02955	1.2
89.02480	1.0
92.10106	2.0
93.03434	0.7
96.95958	0.8
101.02465	1.1
112.98648	0.7
113.02445	1.3
115.47635	0.8
119.40162	0.7
120.08212	3.0
121.02933	4.6
124.43462	0.8
146.06108	1.5
164.07178	1.4
164.37956	0.7
165.05614	1.0
191.05670	1.4
221.08194	1.7
259.41550	0.8
281.05035	0.8
317.15262	3.0
381.11987	9.0
430.63538	0.7
479.20636	1.5
515.29510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	78.7
59.61401	1.5
61.98831	2.5
64.34861	2.3
70.24933	1.5
73.93007	1.7
78.72318	1.6
84.84780	1.7
99.49384	1.7
113.02459	2.5
121.10257	15.7
128.25751	1.9
130.07471	2.1
171.10307	29.0
179.09512	1.9
207.50087	1.7
231.21165	3.1
275.20178	55.6
291.19791	2.0
293.21280	100.0
439.28546	3.0
467.28207	3.5
485.29440	2.9
512.52112	1.8
515.30109	19.2
539.82062	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11617	0.3
59.01394	1.8
61.78429	0.4
67.01908	0.7
71.01404	0.6
72.87746	0.4
73.02943	0.6
85.02960	10.2
87.00873	3.1
89.02480	0.4
92.10682	0.7
93.03463	6.8
96.47124	0.4
96.95979	0.6
109.03004	0.6
111.04532	2.7
116.92864	0.5
117.03453	1.0
127.04000	3.4
132.02188	1.7
133.02971	7.9
134.39018	0.4
135.04536	8.5
137.66919	0.4
156.95065	0.4
160.01636	4.2
161.02455	55.5
171.03041	0.7
173.04559	2.4
179.03513	5.8
186.94501	0.4
191.05638	100.0
199.80304	0.4
315.92484	0.4
323.07785	30.4
324.08517	0.5
341.08881	2.0
353.08981	1.9
515.14166	21.3
526.05963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51772	0.8
59.01400	4.0
65.33955	0.8
67.01878	1.0
67.48357	0.8
70.10676	0.7
71.01402	2.0
74.49713	0.7
78.95920	1.2
80.05130	0.8
85.02955	14.1
87.00875	1.9
89.02457	1.0
93.03451	7.5
96.96006	52.2
96.96997	3.3
109.02975	1.2
111.04529	1.3
119.54787	0.8
127.04018	3.5
132.02205	1.9
133.02972	9.3
135.04533	3.6
160.01711	3.7
161.02452	65.9
173.04581	3.9
177.01843	1.0
179.03525	4.0
191.05630	100.0
323.07755	25.4
353.08936	1.7
469.73871	0.9
515.14056	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82390	0.3
59.01394	2.2
61.21648	0.3
63.63012	0.3
66.76344	0.3
67.01903	0.6
69.79819	0.3
71.01392	0.6
73.02957	0.5
81.03461	0.4
85.02956	12.1
85.03463	0.5
87.00882	2.9
93.03450	5.2
96.96022	3.0
99.04511	0.4
109.02945	0.8
111.04549	2.2
117.03480	1.4
127.04008	3.2
130.35059	0.3
130.70105	0.3
132.02194	1.9
133.02969	9.8
135.04547	3.4
160.01680	3.8
161.02458	55.2
162.02750	0.5
163.03966	0.4
171.03047	0.7
173.04567	2.5
177.01993	0.3
179.03508	3.3
191.05637	100.0
201.04494	0.4
276.65210	0.4
279.06799	0.6
323.07791	28.1
341.08862	0.6
353.08786	1.8
430.39664	0.4
481.62915	0.4
515.14130	25.9
527.75226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03456	1.0
58.21355	0.5
59.01387	11.4
62.32305	0.5
67.01897	3.0
71.01382	8.6
72.23148	0.5
72.55426	0.5
73.02946	3.2
75.00871	1.3
79.99207	0.5
83.01418	1.0
83.05033	0.7
83.75990	0.5
85.02957	9.4
87.00881	6.9
89.02456	2.8
90.62538	0.5
93.03458	19.7
96.95993	3.5
99.00877	1.2
101.02464	5.3
109.02972	0.7
111.00892	0.7
111.04537	3.7
111.08189	2.5
111.68031	0.6
113.02464	2.1
127.04010	1.1
129.01926	1.1
133.02953	1.2
135.04550	19.7
151.83066	0.6
161.02469	9.9
161.04567	0.7
173.04593	4.8
173.08183	2.9
179.03526	13.9
191.05652	100.0
293.16125	2.3
307.98831	0.5
323.97034	0.6
353.08862	6.3
395.09869	1.3
397.34995	0.5
455.21448	23.3
515.14050	36.5
515.20172	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	515.141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51772	0.8
59.01400	4.0
65.33955	0.8
67.01878	1.0
67.48357	0.8
70.10676	0.7
71.01402	2.0
74.49713	0.7
78.95920	1.2
80.05130	0.8
85.02955	14.1
87.00875	1.9
89.02457	1.0
93.03451	7.5
96.96006	52.2
96.96997	3.3
109.02975	1.2
111.04529	1.3
119.54787	0.8
127.04018	3.5
132.02205	1.9
133.02972	9.3
135.04533	3.6
160.01711	3.7
161.02452	65.9
173.04581	3.9
177.01843	1.0
179.03525	4.0
191.05630	100.0
323.07755	25.4
353.08936	1.7
469.73871	0.9
515.14056	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84403	1.4
55.01925	1.6
57.03461	3.2
59.01393	76.6
59.98588	1.3
70.56440	1.4
71.01393	63.9
72.99333	7.4
73.02959	3.6
75.24944	1.7
82.01544	1.8
83.01423	3.0
84.44553	1.9
85.02972	17.1
87.00898	8.6
89.02454	75.0
92.10671	2.3
93.03484	9.3
95.01409	2.9
99.00879	18.3
101.02460	22.9
111.00892	14.9
111.04538	2.1
112.98821	49.6
112.99605	2.4
113.02467	23.9
115.00383	3.1
119.03505	23.5
129.01938	3.8
131.03448	1.7
142.36615	1.8
142.99878	19.1
143.03531	2.8
145.01416	2.4
161.04584	8.5
173.00938	23.2
173.04556	10.6
179.05638	25.4
191.05655	10.8
232.93144	1.6
252.41791	1.7
314.32776	1.7
341.10971	100.0
516.59326	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.7
57.03462	2.0
59.01389	75.1
59.28548	1.3
61.53521	1.3
69.69936	1.3
71.01384	59.8
71.01768	2.3
72.45245	1.3
72.99316	3.4
73.02957	2.7
73.51698	1.8
74.65829	1.5
83.01416	2.5
83.05091	1.8
85.02966	15.5
85.06597	1.5
87.00890	10.1
89.02447	66.9
93.03487	6.8
97.58218	1.5
99.00893	16.7
101.02441	32.4
108.68924	1.5
109.39790	1.5
111.00922	7.5
111.04569	6.7
112.98817	50.4
113.02451	19.7
115.00383	2.5
119.03507	26.3
124.98873	1.8
128.77463	1.6
129.01912	2.5
129.05562	2.7
131.03517	1.7
135.04585	1.7
142.99863	16.8
143.03543	2.6
145.01469	2.6
149.04608	1.8
155.03514	1.7
156.66916	1.5
161.02441	2.0
161.04587	10.4
173.00925	14.1
173.04523	15.0
179.05620	28.6
191.05646	26.3
323.07779	2.0
341.10962	100.0
368.71985	1.7
435.50040	1.8
464.69794	1.8
522.35376	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	515.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43574	0.7
57.03454	1.5
58.00605	0.8
59.01138	0.8
59.01381	7.5
61.98856	2.0
67.01898	8.0
67.56427	0.8
69.03441	1.1
71.01385	7.6
73.02951	1.4
81.03452	2.1
83.01444	1.2
83.05051	2.2
85.02951	16.3
87.00878	14.6
93.03458	44.2
96.96017	6.0
97.02951	1.8
98.95619	3.8
99.92598	1.1
101.02458	1.6
108.02161	1.8
109.02962	49.6
110.06120	1.0
111.04536	7.4
113.02499	1.1
115.92090	6.3
121.02959	5.9
125.02435	1.6
126.90406	1.1
127.04007	2.0
129.01955	2.1
134.03755	1.8
135.04532	14.2
136.01654	4.2
137.02440	1.4
141.01939	1.0
145.02989	23.1
146.03773	1.1
146.31094	1.1
149.02470	2.2
150.03236	15.7
151.03992	2.3
152.01164	1.3
153.01898	1.5
155.03503	1.4
159.04524	2.1
161.02446	10.1
161.06081	11.8
164.16176	0.9
165.05576	12.4
173.04578	14.3
179.03526	9.1
186.03334	1.3
187.02454	1.5
187.04015	20.1
191.05637	100.0
195.06624	5.5
205.05159	1.3
209.06062	1.1
213.01952	5.5
214.02626	1.2
225.05516	1.5
228.20126	1.0
237.05670	1.6
239.03491	4.2
240.04332	2.0
241.05074	8.3
245.38481	1.1
253.04984	3.6
253.08736	5.1
255.06660	7.1
256.07397	3.8
271.09875	8.0
279.02927	6.2
281.04608	18.8
297.07788	11.6
305.04578	1.4
307.90244	1.0
323.05722	12.1
341.06772	10.6
440.60251	1.1
453.05298	1.5
467.17120	1.0
515.12024	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1188
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
59.01394	5.6
60.99331	0.9
67.01908	3.5
68.12321	0.7
69.03480	1.0
71.01400	4.7
75.31808	0.8
83.01391	1.0
83.05040	1.0
85.02941	7.2
93.03459	26.4
96.96010	3.5
108.02170	1.9
109.02995	3.8
111.04521	6.8
121.02965	4.3
127.04026	1.8
133.02943	1.5
134.03757	4.5
135.04527	82.4
137.02452	10.6
140.06345	0.9
152.01170	4.2
153.01886	1.3
155.03531	3.9
161.02422	7.3
173.04558	100.0
176.58734	0.8
179.03511	62.4
191.03940	1.9
191.05630	47.0
191.07344	1.6
198.72778	0.9
203.03546	2.0
210.46690	0.9
228.16679	0.9
231.09335	1.1
251.07164	5.1
279.06815	1.8
323.05640	5.0
353.08850	68.4
515.11932	5.3
515.18658	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.9
63.53782	0.1
66.21834	0.1
66.36343	0.1
71.01403	0.7
72.06869	0.2
75.58195	0.2
78.95912	5.3
79.95750	1.9
85.02960	0.9
87.00896	0.3
89.02449	0.2
93.03459	1.1
96.96016	100.0
96.96916	8.4
99.00914	0.2
108.02196	0.2
109.02981	0.2
111.04501	0.2
119.04986	0.2
127.04018	0.2
133.03046	0.2
134.03870	0.2
135.04590	0.3
152.18433	0.2
160.01707	1.2
161.02553	0.6
173.04506	0.7
175.03889	0.3
191.05663	6.6
194.87643	0.2
222.05580	0.2
289.62906	0.2
323.07916	1.5
367.10309	0.3
515.13977	0.9
533.69147	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40477	0.5
59.01401	3.7
65.27572	0.4
71.01385	4.3
73.02975	0.9
81.03459	0.7
83.05043	0.7
85.02972	7.8
86.07494	0.5
87.00899	1.0
88.98854	0.9
89.02441	0.8
93.03472	6.2
95.05038	0.6
96.96056	2.4
101.02470	0.6
107.05073	1.2
108.02197	2.1
109.02995	3.2
111.04566	3.2
113.02508	0.7
121.02930	4.8
126.90454	1.0
127.04032	2.4
130.54922	0.5
133.02959	1.0
134.03789	5.5
135.04536	64.2
140.62553	0.6
152.01172	2.5
153.01976	0.7
155.03574	1.2
161.02470	6.3
162.51283	0.5
167.78548	0.5
173.04578	6.4
179.03516	44.8
191.05643	100.0
192.06084	0.8
251.07057	0.7
253.08669	0.7
297.07797	0.7
323.05701	2.2
351.62070	0.6
353.08835	48.0
375.21497	0.5
515.17761	1.0
515.24713	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17043	0.2
57.25011	0.2
58.76381	0.2
59.01390	1.2
61.01814	0.2
61.98842	100.0
71.01376	0.3
71.76962	0.2
83.05069	0.3
85.02958	0.3
87.00883	0.2
89.02441	0.4
92.10787	0.2
93.03473	0.3
96.95974	0.3
106.68955	0.2
109.02967	0.4
111.69849	0.2
117.16814	0.2
121.02977	0.3
166.05725	0.2
191.05634	2.0
251.07108	0.5
253.08687	0.3
304.09909	0.2
319.52115	0.2
323.05634	0.3
374.33771	0.3
453.33521	0.4
454.33780	0.4
483.53351	0.2
514.16107	0.2
514.33105	0.4
515.11469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41818	0.1
59.01377	0.3
65.36274	0.1
66.47453	0.1
71.01389	0.1
78.95943	0.2
79.95741	2.0
96.96016	100.0
97.93139	0.3
112.54571	0.1
114.93427	0.3
115.65420	0.1
121.02959	3.1
225.26692	0.1
356.83325	0.2
417.11935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	17.4
59.15847	3.6
70.10135	3.8
73.36806	3.2
106.79711	3.7
140.05699	3.5
140.35297	3.5
218.41159	4.8
233.65730	3.7
453.33853	5.9
469.33353	54.4
513.35999	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	513.3593
Annotation	3beta-Acetoxy-18alpha-hydroperoxy-12-oleanen-11-one
Peak:m/z	Relative Intensity
50.92263	2.3
59.01390	5.7
61.98842	4.2
65.12057	2.5
66.61989	2.4
67.87635	2.5
78.95930	11.8
92.65794	3.2
152.99582	19.3
164.68175	2.8
221.33755	2.8
421.32330	2.9
431.21893	3.5
444.96802	3.5
453.33917	31.6
471.34796	35.3
513.35962	100.0
515.33875	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	513.3588
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
56.76933	1.4
58.27708	1.7
59.01383	15.6
63.62392	1.6
72.28024	1.6
74.50694	1.4
75.31610	1.5
95.56030	1.6
125.09714	1.9
125.87389	7.0
126.88134	2.8
157.86275	1.9
180.01199	1.9
263.69785	1.9
292.43073	1.9
354.63739	1.9
356.77637	1.8
368.71112	2.0
397.31378	2.5
405.11060	10.3
453.34253	10.3
478.13843	3.3
513.36298	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	513.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52493	1.7
51.79221	1.5
51.88326	1.2
59.01386	2.4
59.69261	1.4
70.40796	1.6
74.60828	1.5
80.17159	1.6
93.03465	1.7
95.75237	1.8
100.58272	1.8
152.99542	2.0
156.78975	2.0
165.37778	1.9
174.70447	1.8
191.05650	4.3
242.14105	2.0
250.28139	1.9
276.48395	1.8
513.35925	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	513.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84642	0.6
56.95019	0.8
59.01386	7.5
74.64521	0.7
102.49358	0.7
121.17732	0.8
177.79451	0.9
178.71339	0.8
216.24028	0.6
299.41681	0.7
313.71039	0.7
328.97037	0.8
341.90280	0.7
393.31244	0.7
395.12170	0.9
453.33865	8.2
469.33105	1.4
493.28348	0.8
513.35956	100.0
514.35852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	4.0
68.19413	0.6
143.42665	0.7
222.28667	0.7
313.53586	0.7
381.92163	0.8
386.20471	0.7
423.43796	0.7
453.33911	20.0
513.35944	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	513.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63835	0.2
54.82677	0.2
55.01889	0.5
59.01388	7.8
67.34512	0.2
71.01385	5.1
73.02963	1.2
83.01389	0.6
85.02987	0.6
87.00900	0.5
89.02462	3.1
90.93980	0.2
92.10842	1.1
101.02451	5.0
103.04026	0.3
113.02467	1.5
115.29900	0.2
119.03468	0.4
129.49420	0.2
130.33797	0.2
133.05063	0.3
146.99223	0.2
161.04579	1.4
233.22778	0.3
235.08275	0.5
236.68059	0.3
253.09309	10.0
277.21759	100.0
278.22110	1.8
322.09836	0.3
344.04697	0.3
456.85837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2857
Annotation	fijianolide A
Peak:m/z	Relative Intensity
51.14384	6.7
58.92500	7.9
59.01386	9.3
61.49795	8.4
61.98848	12.6
76.58077	8.4
85.07144	8.6
94.71601	8.5
199.76727	9.5
434.69421	10.6
513.28552	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	513.2865
Annotation	fijianolide A
Peak:m/z	Relative Intensity
59.01387	7.4
60.88084	1.6
72.99310	17.7
73.07392	1.9
89.66782	1.7
94.60105	1.9
114.80352	1.9
191.16122	2.1
215.84033	1.9
217.71642	1.8
231.36514	1.9
291.19745	2.0
318.03775	1.9
393.28696	2.3
417.17151	2.1
417.22684	2.0
435.76447	1.9
513.28644	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	513.2866
Annotation	fijianolide A
Peak:m/z	Relative Intensity
51.74168	1.8
54.83163	1.7
59.01392	9.7
68.13479	2.2
72.99330	13.2
73.03033	2.1
83.67156	2.2
85.02990	3.6
93.81902	2.0
94.09791	2.0
102.30671	2.4
513.28638	100.0
513.34119	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	513.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58350	0.3
55.88798	0.4
57.03445	1.5
59.01390	96.3
59.08764	0.4
61.98845	0.5
71.01386	2.3
72.99309	0.6
85.02963	2.2
89.02446	1.2
93.07102	0.5
97.06609	0.8
99.27939	0.5
101.02441	1.2
113.02458	4.1
121.10243	11.2
125.09702	5.1
147.08176	0.9
161.04532	0.5
176.62688	0.5
185.11838	10.6
197.11829	2.7
209.11943	0.8
211.13461	0.9
223.13387	0.6
247.20482	0.6
273.18628	0.6
291.19708	100.0
292.19992	1.1
305.21204	2.7
333.20795	6.0
339.07809	0.6
513.28748	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	513.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03196	0.7
59.01387	77.4
61.98851	2.6
71.01379	7.3
73.02959	0.7
85.02956	1.7
89.02473	4.0
95.01397	0.8
97.06570	0.7
101.02467	4.1
113.02455	5.6
121.02966	0.9
126.08572	0.7
158.46037	0.7
161.04561	0.7
163.11304	1.4
165.12859	21.6
174.36510	0.8
247.20692	10.2
273.18698	5.9
291.19705	100.0
292.19833	0.9
305.21124	2.9
311.50262	0.7
327.83850	0.9
333.20840	4.5
368.63297	0.9
369.17050	0.8
436.47107	0.7
513.27936	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	513.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42849	0.7
52.66535	0.8
55.01894	9.2
57.03466	6.2
59.01392	51.5
61.98868	1.3
64.12243	0.8
71.01395	60.3
72.99322	1.3
73.02952	20.9
83.01402	13.9
85.02972	43.5
87.00901	4.2
89.02448	9.7
91.79417	0.9
92.10059	1.0
92.50683	1.0
95.01391	5.8
99.00891	10.0
101.02456	58.5
113.02464	23.4
119.03558	2.3
121.02972	2.0
125.02478	2.3
129.01920	1.1
132.37799	0.9
132.97818	0.9
143.03462	1.8
159.02983	2.1
161.04599	17.2
166.69963	1.1
173.04497	1.4
191.05602	5.3
206.26218	1.0
263.07626	0.9
283.13669	1.0
291.18198	24.3
337.76907	1.1
361.72302	0.9
453.23505	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	513.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.1
57.03481	2.1
58.08662	1.1
59.01397	91.0
59.01698	3.3
59.37246	1.2
61.98843	3.6
64.35297	1.2
67.57949	1.2
69.03454	1.8
71.01398	48.6
72.99329	6.5
73.02951	12.2
75.00891	8.1
80.05067	2.5
80.91695	2.0
83.01402	5.8
85.02975	20.3
87.00890	12.0
88.98813	1.9
89.02456	38.2
93.03480	6.7
94.06609	1.6
95.01386	2.3
96.96021	11.2
99.00913	7.8
101.02448	27.9
101.06054	1.8
105.01977	2.2
106.06732	1.3
108.04583	5.7
111.00840	1.8
111.08180	3.2
113.02470	14.1
116.26704	1.5
119.03535	12.1
119.05018	9.4
120.05353	1.4
121.02975	9.4
121.05330	12.6
122.06120	22.3
125.02440	1.6
129.01936	2.3
134.15788	1.4
135.03104	1.9
135.04543	8.9
136.04060	3.2
136.07680	6.5
138.05573	11.4
148.04167	2.3
149.04790	2.2
150.05620	10.2
159.06975	1.5
161.02469	3.1
161.04570	3.0
162.05611	1.8
163.04091	5.9
165.01958	2.4
165.04297	6.5
166.05121	6.6
173.08374	7.0
173.10754	2.3
176.07138	2.2
177.04053	7.9
184.11325	9.4
187.09813	2.5
188.07172	3.4
191.05678	20.8
192.05885	2.7
195.05150	1.9
196.32347	1.4
202.12442	12.5
204.06758	11.5
204.08376	1.5
216.06708	7.7
216.09039	1.8
217.07559	6.2
227.08250	1.8
228.10364	3.0
229.09755	10.7
231.09122	3.0
231.11385	35.8
243.11267	2.6
246.11429	10.6
250.06760	1.7
265.70590	1.5
270.10098	6.1
271.10880	35.0
328.09918	1.6
344.60349	1.5
346.11404	2.4
397.13782	5.7
426.17673	2.1
431.12201	6.2
451.17361	35.1
453.19775	11.9
469.18353	3.4
475.14673	2.1
495.16415	6.2
513.17340	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	513.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.0
59.01104	1.2
59.01387	16.6
60.83319	0.8
61.98842	3.8
64.34438	0.8
69.03468	3.9
71.01388	9.6
71.05058	1.2
71.19808	0.8
73.02969	3.7
74.53787	1.2
74.73498	0.7
81.03465	1.9
83.01401	2.2
83.05019	1.6
85.02950	5.3
87.00865	1.3
87.04523	1.2
88.91581	0.8
89.02454	3.5
93.03457	4.6
95.01394	2.0
96.96010	27.3
97.02962	5.3
98.95580	1.2
99.00874	1.5
99.04524	2.2
99.92677	1.0
101.02443	4.7
108.02166	1.2
109.02990	1.5
111.04463	1.1
113.02449	1.7
115.92083	16.3
116.92883	1.7
119.03497	1.2
121.02973	16.8
123.00883	11.8
123.04556	1.5
124.01667	32.5
125.02455	59.8
133.02951	1.3
135.03033	1.1
135.04544	2.1
135.08228	0.9
137.02469	5.5
137.09735	3.7
149.99608	44.8
151.00366	3.2
152.01221	1.4
153.05649	1.1
155.10823	13.8
161.04568	1.0
161.75294	1.0
161.95491	1.0
163.04019	1.3
167.03513	1.6
168.00655	78.9
169.01431	11.1
173.04562	1.4
191.05637	5.2
199.09798	1.8
307.11902	1.7
318.77722	1.0
351.22003	1.4
361.99155	0.9
451.07227	6.7
453.24011	3.2
513.16266	100.0
513.23230	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39042	1.1
58.00600	1.3
59.01387	68.4
59.64992	1.4
62.03861	1.3
71.01385	29.0
72.99310	1.6
73.02941	2.2
75.00887	3.3
78.95912	2.7
80.05088	2.5
83.01409	2.3
85.02966	13.2
87.00420	1.9
87.00896	9.9
89.02443	29.5
93.03464	2.3
94.06645	2.3
95.01425	2.3
96.96001	24.2
99.00907	1.9
101.02453	20.0
108.02138	1.7
108.04579	5.5
113.02471	8.0
119.03493	7.1
121.02959	6.2
121.05344	12.6
122.06134	21.2
136.04008	1.8
136.07692	2.3
138.05637	11.6
148.04051	1.7
149.04832	5.2
150.05582	3.6
152.01189	2.8
159.06776	2.4
162.05635	1.6
165.04320	3.0
166.05107	7.1
173.08644	1.5
174.05618	1.8
174.12727	1.7
184.11308	8.0
188.07143	7.7
189.08058	1.7
191.05528	3.2
191.58394	1.6
202.12389	11.9
204.06737	10.4
213.06635	3.3
216.06689	7.2
216.08936	3.2
217.07443	6.0
218.08200	2.4
227.08339	2.1
229.09808	10.5
231.09227	3.5
231.11421	35.6
238.07433	2.0
243.11301	1.8
246.11349	9.8
253.09848	6.0
270.10126	2.4
271.10965	39.3
304.38049	1.4
397.13782	6.3
416.16437	1.6
426.17676	1.7
451.17297	26.7
469.18420	3.6
495.16034	8.8
513.17285	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	513.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
59.01390	5.7
67.01852	0.7
68.99833	7.0
69.03447	0.8
71.01377	6.9
73.02943	1.3
75.00876	3.1
79.38562	0.6
83.01399	3.9
85.02962	11.2
87.00878	4.1
88.98804	1.4
89.02453	1.0
92.10845	1.6
92.56133	0.6
92.65856	0.6
95.01408	0.9
96.96019	18.2
97.02947	0.8
99.00889	8.7
101.02451	2.9
109.02979	0.8
111.00915	3.0
113.02460	9.1
113.99598	29.3
115.00385	10.7
117.03512	1.0
121.02957	5.2
121.24165	0.7
127.00386	5.0
128.50896	0.6
129.01935	4.1
131.07170	0.7
133.02960	0.9
134.03749	29.2
135.04474	0.7
136.07744	1.1
145.01689	0.7
149.06075	2.6
157.01427	6.8
160.01651	1.1
161.02440	0.7
169.01509	1.2
174.01717	28.6
175.02483	3.4
175.04047	2.9
176.04866	0.9
177.04114	0.9
191.05623	1.5
191.07147	0.7
193.05080	12.1
239.66092	0.7
253.32104	0.7
277.02618	1.3
277.05713	46.1
337.07831	73.1
338.08548	1.2
405.20068	0.7
453.10587	4.1
510.71350	0.8
513.12585	100.0
514.12720	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07079	2.5
59.01400	14.2
61.98843	10.5
71.01392	4.0
74.56771	2.4
85.95011	2.3
89.02416	2.7
93.03461	5.9
96.96031	5.0
109.02966	42.3
119.05019	3.1
121.02979	15.0
134.03732	2.7
135.04538	70.8
135.05519	5.4
137.02457	5.3
146.03755	16.8
147.04568	20.6
149.06082	4.8
159.04518	43.8
161.06023	4.0
163.04031	4.3
171.22052	2.7
172.05348	11.8
173.04631	5.4
173.06049	38.9
175.07628	5.3
176.04762	28.7
185.06108	10.4
186.06825	3.2
187.03973	14.5
187.07645	16.6
188.04811	13.4
189.05621	15.6
189.09151	4.3
191.05632	12.0
199.07755	10.5
200.04868	14.4
201.05582	13.9
201.09402	4.3
205.08740	34.4
211.39027	2.4
213.09175	3.4
214.06483	5.6
215.07156	34.7
216.07835	5.4
217.08743	93.9
224.08290	2.7
225.05693	3.9
226.06392	19.2
228.08006	2.8
229.08707	20.4
243.10266	13.9
255.10318	39.0
267.06512	3.4
268.07437	5.3
291.06766	3.8
292.07422	13.8
293.08337	4.9
307.09918	3.8
321.11386	32.2
347.12714	4.7
365.09534	4.2
365.14026	100.0
444.36996	2.7
516.51831	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	513.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	2.0
57.03455	7.7
59.01389	100.0
59.04288	1.4
60.65321	1.4
63.61232	1.4
65.12347	1.5
65.77197	1.6
67.01913	3.8
68.99836	3.0
71.01005	3.7
71.01395	99.5
72.99329	1.8
73.02944	16.6
83.01395	9.3
85.02459	2.3
85.02969	65.0
85.79827	1.6
87.00883	15.3
89.02447	3.6
91.71907	1.7
93.03433	1.6
95.01392	3.3
95.03485	1.9
96.96006	9.1
97.02959	7.9
101.02452	16.0
109.02979	2.6
111.00916	10.6
113.02461	55.4
115.00358	2.0
117.01948	3.1
125.02444	1.8
129.01935	7.0
131.03543	2.6
133.03003	2.4
139.00404	3.8
153.01909	3.2
171.32751	2.0
173.04546	10.5
186.16895	1.9
189.04024	2.9
191.05681	12.1
201.04059	7.5
245.06601	4.1
249.06221	12.6
291.10388	1.8
305.08762	8.4
315.07230	2.5
316.04031	1.7
317.08752	14.8
363.09641	2.6
381.10623	2.6
435.11282	3.6
453.12628	20.4
513.14636	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60371	0.2
53.40093	0.3
59.01386	51.4
81.03457	5.1
83.05032	16.7
94.22126	0.3
108.04576	0.4
111.72029	0.3
120.43940	0.3
125.07193	2.1
141.29422	0.3
143.08296	0.6
151.56854	0.3
155.49002	0.3
207.15039	1.8
221.21587	0.3
224.15729	0.5
224.17674	3.4
225.16133	10.9
242.18756	1.3
290.92966	0.3
295.31161	0.4
295.35132	0.4
309.21899	0.4
324.26559	1.3
333.23135	2.6
349.55862	0.4
351.23944	0.7
367.27164	1.5
433.31976	8.0
451.32993	100.0
452.33499	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17537	78.2
65.28927	63.1
71.69597	70.1
78.13646	81.9
83.17439	77.8
87.37132	71.2
235.91667	73.2
278.14893	77.3
295.59100	73.2
449.08243	100.0
536.16315	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	512.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86263	0.3
57.03443	0.4
59.01386	4.5
60.55333	0.2
61.98836	11.6
67.01888	0.5
71.01388	2.2
73.02969	0.4
81.03454	0.5
85.02956	9.7
87.00852	2.3
89.02443	0.7
92.10799	0.7
93.03452	4.0
96.96035	1.6
99.00912	0.5
99.04507	0.5
108.02222	1.3
109.02970	1.9
111.04530	1.7
116.92858	0.3
119.05022	0.4
121.02958	0.5
127.04012	2.3
133.02940	1.4
135.04526	0.7
150.69778	0.3
152.01201	0.7
153.01860	0.4
161.02425	0.4
171.02936	0.4
172.05309	0.7
173.04564	2.2
183.04483	0.4
184.75873	0.3
187.06290	0.3
187.07660	11.1
191.05634	100.0
192.05951	0.7
199.04068	1.4
202.06322	0.3
213.09282	1.7
215.07147	2.4
227.03514	1.9
229.08716	0.5
231.10361	0.3
257.08224	11.2
275.09384	0.7
449.14719	5.3
512.19757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07460	10.7
59.01395	74.2
61.98845	100.0
71.51022	13.1
74.67130	14.5
121.02976	58.8
129.00063	14.0
191.05602	22.2
209.11920	22.9
277.82574	16.7
299.33771	15.7
433.29883	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	511.2708
Annotation	Ganoderic acid E
Peak:m/z	Relative Intensity
56.68564	1.5
59.01382	2.5
59.65329	1.1
61.98828	2.0
78.95901	1.9
95.92738	1.8
118.83077	1.7
121.91990	1.5
125.80173	1.7
128.36514	1.7
166.58952	1.5
201.99078	1.5
240.59004	1.8
274.63705	1.7
375.01495	1.9
375.26859	6.4
511.27069	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	511.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35818	1.3
54.00524	1.4
54.34171	1.6
54.83054	2.0
57.70900	1.5
59.01385	2.5
59.65157	1.4
61.98843	7.5
83.05045	3.3
84.02203	2.2
89.16142	2.0
98.26699	1.8
108.49029	2.1
117.05739	1.7
119.22970	1.8
122.31170	1.9
159.98686	1.8
163.11285	3.5
165.12814	8.6
183.13913	100.0
183.15538	3.3
209.11865	76.4
227.12955	12.0
301.16763	2.3
378.22159	3.0
443.62457	2.2
476.35944	2.2
511.29086	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	511.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26558	0.4
54.82631	0.5
59.01377	3.5
64.19881	0.5
80.02693	1.8
81.03483	0.9
83.05035	7.6
84.02194	1.0
95.05056	1.2
102.83828	0.5
108.87818	0.5
109.06580	0.6
121.03036	0.7
125.06060	0.6
125.09711	0.8
135.08287	0.8
163.11333	6.0
165.12883	3.4
171.10307	9.1
181.12354	0.9
191.10957	0.8
208.08249	0.6
209.11880	100.0
210.12386	0.8
223.13451	0.6
227.12956	7.5
247.13394	3.4
300.29263	0.5
326.40631	0.5
449.25702	0.6
456.10992	0.5
467.61398	0.6
475.27179	2.3
493.28586	0.7
511.29428	0.9
513.43573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01410	3.4
64.34521	3.6
71.94342	3.0
91.63609	2.8
101.42641	3.4
102.90488	3.2
128.88448	4.0
230.97728	3.7
231.33540	3.5
237.71480	3.7
247.60387	3.4
311.29626	100.0
342.57440	3.8
390.35925	3.9
428.02203	4.3
443.53491	3.6
511.34238	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	511.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45893	0.6
53.38712	0.8
55.94468	0.7
57.49057	0.8
59.01398	4.9
60.31673	0.6
64.72670	0.8
64.73003	0.7
71.01397	5.3
72.89766	0.7
77.87275	0.8
85.02971	1.3
87.00915	0.9
89.02476	4.5
89.69173	0.7
91.18608	0.7
93.03539	0.9
94.92258	1.0
96.96035	1.8
99.18760	0.7
101.02451	1.5
105.02041	0.8
108.99821	0.7
109.02963	1.2
113.02508	0.9
113.06111	5.5
116.92841	1.1
121.02898	1.3
127.07615	1.1
129.05580	9.2
130.05960	1.0
135.04543	2.0
136.01657	11.5
137.02507	1.3
142.96698	1.1
149.02519	1.9
151.04039	7.8
157.05078	4.4
164.04739	1.3
166.02782	1.2
167.03549	0.9
172.05313	0.8
181.05051	1.5
184.97597	1.1
191.05556	10.4
200.04797	4.9
202.98778	3.6
210.99304	1.1
211.04108	1.5
213.05594	0.9
216.98224	3.2
227.03458	2.0
228.04262	13.8
234.99286	1.9
239.03389	1.0
243.06639	4.7
248.97113	1.0
256.03824	13.9
270.05432	0.9
271.06168	93.5
272.06522	1.0
285.07690	1.0
286.08505	54.6
289.02350	6.1
301.10858	100.0
302.11035	1.1
349.13028	21.5
441.76355	1.0
451.05740	11.4
507.12122	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
59.01389	2.0
60.01416	0.2
61.98837	100.0
64.47486	0.2
68.66166	0.2
69.62180	0.2
70.01839	0.2
71.01382	1.4
73.02930	0.3
75.00850	0.2
82.74705	0.2
83.01369	0.3
85.02944	0.2
89.02425	0.3
93.03468	0.9
101.02406	0.3
108.02182	2.5
109.03033	0.6
110.03319	0.2
117.03477	5.2
117.53848	0.2
118.03822	0.3
119.05032	8.7
120.05372	0.5
121.02938	1.9
124.70146	0.2
130.04224	0.2
131.04994	0.4
132.05818	0.3
133.02956	0.3
135.02979	0.2
145.02975	13.5
146.03366	1.6
152.01134	1.2
153.01804	0.5
159.04546	0.4
163.00383	0.2
163.02734	0.3
163.04025	5.3
191.05635	0.4
210.06821	0.3
211.07658	1.6
211.13376	1.0
223.07553	0.3
227.03513	2.4
228.03897	0.2
229.05057	1.0
255.03015	4.1
256.03622	0.9
263.05734	0.9
284.03323	5.2
285.04053	6.6
286.04422	0.4
296.06018	0.3
303.06778	1.6
303.57077	0.4
447.09045	0.8
447.22650	0.4
450.23532	0.3
510.20779	2.2
510.27939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.329
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04987	0.4
61.98837	100.0
65.01461	0.4
72.62134	0.4
92.10770	0.8
98.73661	0.4
121.71619	0.5
126.76535	0.5
224.28917	0.4
375.31253	0.4
432.68411	0.4
463.22946	0.4
496.68155	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1728
Annotation	Pumiloside
Peak:m/z	Relative Intensity
59.01389	5.2
61.98836	1.2
71.01390	3.5
72.00920	8.7
74.02426	0.8
77.68163	0.8
81.41794	1.0
85.02970	1.6
92.10855	1.0
93.03452	7.2
96.96004	22.9
100.00413	47.1
101.02411	1.2
108.02210	1.1
109.02972	1.0
116.05070	11.3
117.03468	11.3
119.05030	100.0
121.02956	92.2
122.03296	1.0
123.17184	0.8
128.05080	1.5
130.06627	10.5
134.03700	0.9
135.04495	1.7
138.15932	0.9
142.06635	62.7
145.02969	63.0
146.06123	4.2
147.04576	1.7
154.06648	1.0
157.07727	18.6
158.06136	1.1
159.09262	9.3
162.05585	1.2
173.04579	1.1
174.05615	3.6
176.07187	1.8
181.07788	1.8
185.07233	1.7
186.05623	34.1
191.05595	4.1
200.07230	1.2
203.08327	3.2
229.06224	56.3
261.50363	1.1
263.03915	0.9
305.12921	9.5
349.07681	2.0
349.12009	56.1
451.22055	1.6
511.17337	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15984	0.2
59.01391	1.0
61.98837	100.0
68.38678	0.2
71.01383	0.5
75.96923	0.2
79.18620	0.2
83.03841	0.2
92.10155	0.3
93.03464	0.2
121.02958	3.4
122.03282	2.0
123.03493	0.5
135.04543	2.0
136.04839	1.3
155.10760	0.5
165.39851	0.3
183.07707	0.3
250.06862	0.2
449.15860	0.4
450.16006	2.0
452.70444	0.3
509.61945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.8
61.01821	0.2
61.98837	100.0
71.01385	0.3
83.69518	0.2
85.02987	0.3
89.02458	0.3
101.02450	0.5
104.77215	0.2
113.02419	0.2
121.02950	4.0
122.02512	0.2
122.03304	1.9
123.03461	0.4
135.04535	2.1
136.04857	1.2
137.05008	0.4
191.05704	0.3
325.11356	0.4
326.11789	0.4
327.11914	0.8
328.12122	1.0
423.73505	0.2
450.15915	0.8
481.57913	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48812	0.5
58.53333	0.4
58.87319	0.5
59.01387	5.3
61.98840	100.0
64.53590	0.4
68.25671	0.5
70.73883	0.5
71.01385	4.5
72.01726	0.6
73.02981	2.4
73.91832	0.5
75.00936	0.6
75.96110	0.4
83.01429	2.2
85.02968	2.1
89.02500	0.6
93.03463	1.1
100.49042	0.5
101.02452	4.7
113.02419	0.7
117.03471	1.0
119.05048	3.7
121.02969	5.3
145.02972	4.6
161.04559	1.9
163.04010	3.3
173.04558	0.9
191.05717	2.8
227.03539	2.4
255.03073	1.3
284.03314	2.4
285.04080	2.9
317.19791	1.0
449.23926	3.2
450.24246	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	510.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.6
61.98842	90.6
79.00912	0.7
101.02356	0.7
121.02974	10.0
122.03312	1.3
135.04538	7.4
149.02533	0.8
151.00388	1.5
177.01941	5.8
178.02216	0.7
191.05670	1.0
192.04269	2.6
227.03531	71.1
228.03796	0.9
229.05078	3.6
247.28003	0.8
255.03015	88.7
256.03818	6.5
257.04684	1.2
284.03281	83.0
285.04068	22.5
447.09402	100.0
448.09891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	5.2
61.98837	100.0
71.01403	4.1
72.99355	0.6
73.02961	0.7
74.28973	0.6
75.00875	1.2
85.02960	1.0
89.02454	2.8
92.10188	3.5
92.10826	1.5
93.03468	2.7
96.96009	22.1
101.02431	0.8
108.02213	0.7
113.02477	3.0
116.57738	0.7
116.92874	0.7
119.05029	11.8
120.05385	1.3
121.02959	21.0
122.03313	5.2
135.04550	10.4
136.04860	3.4
146.03802	1.1
147.04532	6.5
148.04903	4.0
151.00427	1.1
155.42691	0.7
163.04005	1.6
175.03989	0.7
191.05545	5.5
191.10933	0.7
196.47002	0.8
211.04227	0.9
227.03528	49.7
229.05173	1.3
255.00894	1.2
255.03021	59.0
256.03827	6.5
284.03308	73.4
285.04062	15.2
447.09421	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	13.6
61.98847	100.0
65.41351	8.6
79.41309	10.2
86.55686	10.0
103.71019	10.1
107.89532	10.2
160.10361	10.8
209.11848	21.8
433.73575	12.6
497.76382	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	510.147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82254	0.2
54.09975	0.2
54.14920	0.3
55.18419	0.2
57.90813	0.2
58.15268	0.2
58.25857	0.2
59.01387	0.7
61.98838	100.0
68.89060	0.3
71.01383	0.3
83.43175	0.3
84.25355	0.2
87.04502	0.3
89.02435	0.4
92.45288	0.3
113.02441	0.3
121.02969	3.8
122.03316	2.1
123.03468	0.4
124.03663	0.3
135.04543	1.8
136.04837	1.1
136.44263	0.3
163.04086	0.3
179.59360	0.3
193.76474	0.3
246.23227	0.3
248.00731	0.3
327.11838	0.5
328.12314	0.5
341.99084	0.3
352.14050	0.3
352.90411	0.3
450.15991	0.4
485.37808	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2893
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
59.01402	2.3
59.54862	1.0
61.80442	1.2
62.20897	1.1
78.95908	21.5
86.39771	1.3
96.97001	2.0
107.43320	1.6
152.99599	33.4
227.03391	1.5
281.24924	100.0
321.95209	1.4
405.33850	1.8
509.28876	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03461	1.9
58.00593	0.7
59.01388	17.0
61.55834	0.5
61.98853	1.8
65.92932	0.4
69.03442	0.6
71.01382	10.9
71.05036	2.7
72.99303	1.1
73.02937	4.7
75.00861	0.7
78.24576	0.4
83.01397	3.2
85.02946	7.9
87.00886	2.4
88.98829	0.5
89.02441	2.4
92.66361	0.4
93.03453	2.5
95.01384	0.6
96.96011	0.6
97.06583	1.1
99.00887	2.1
101.02442	8.4
107.05041	0.6
107.60304	0.5
108.02174	0.8
109.02966	2.0
111.00883	2.0
111.04533	0.7
113.02489	3.4
116.92896	0.6
119.05024	7.2
121.02968	7.1
123.04548	2.6
125.02453	0.7
125.09755	0.8
134.03752	7.8
135.04527	32.9
136.04831	0.7
137.02466	2.7
143.10808	5.9
147.04497	1.8
152.01167	1.2
155.10782	0.7
163.04134	0.6
165.05542	4.4
168.15411	0.5
173.04543	1.9
173.08069	0.5
177.03983	0.8
183.06604	1.0
183.14003	0.5
191.05588	4.9
258.64883	0.7
279.22989	0.5
347.13000	0.5
347.24368	3.4
401.12488	3.0
422.74173	0.6
449.27753	0.6
491.28494	2.5
509.29736	100.0
510.30069	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	509.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.2
68.16430	4.1
69.29288	4.1
78.95930	23.2
91.57482	4.1
152.99605	42.9
219.04120	4.1
281.24884	100.0
303.15363	5.4
509.28683	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	5.6
59.01394	61.7
59.82628	0.9
60.84614	0.9
69.03499	1.3
71.01385	23.3
72.99332	1.8
73.02946	9.1
74.28954	0.9
75.00872	10.2
78.45670	0.8
79.63644	0.9
83.01421	4.1
85.02950	10.0
87.00895	6.1
87.04525	1.9
88.60866	0.9
88.98817	1.5
89.02443	18.0
92.10112	0.9
93.03449	1.1
95.01421	1.4
96.96027	1.1
97.02974	0.9
99.00879	5.5
99.04505	1.3
101.02440	14.6
113.02456	9.2
119.03511	3.7
119.05066	1.2
121.02974	1.4
121.05057	10.0
122.67721	1.0
129.01923	4.2
131.03473	2.4
134.03793	1.4
135.04515	1.6
137.02499	1.5
137.09749	5.8
137.98656	0.9
139.11302	52.2
155.10799	28.6
160.01697	7.2
161.04614	2.0
169.12419	1.8
173.04535	1.1
175.03986	9.0
177.04060	8.4
181.08714	1.3
181.12317	11.8
183.10271	44.7
185.54454	1.1
189.09085	1.0
191.05643	7.6
193.05061	1.7
195.13976	1.3
197.11859	1.3
199.09760	8.9
217.22318	1.0
225.11382	14.1
243.12350	4.0
265.09302	1.4
269.42706	1.0
283.10413	2.1
397.11490	5.8
449.20132	4.7
463.22052	4.4
473.16241	1.4
491.21783	1.5
509.23065	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	509.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30014	1.1
55.01884	1.5
57.03470	8.0
59.01394	79.3
61.98864	2.5
64.32565	1.3
68.43648	1.2
69.03456	3.7
71.01392	39.0
72.99342	6.5
73.02959	11.0
75.00900	11.7
80.08157	1.1
83.01419	5.7
84.76015	1.3
85.02969	19.3
87.00919	8.2
88.98836	3.0
89.02470	21.0
91.50230	1.1
93.03487	6.4
95.01427	1.4
96.96033	8.1
97.02980	2.7
99.00925	6.2
101.02444	23.4
103.23154	1.3
103.79748	1.2
105.01965	1.1
108.02228	2.0
113.02470	10.6
115.03985	1.2
119.03535	5.9
119.05043	4.8
121.03005	6.1
121.05075	6.5
125.02470	2.2
129.01944	5.2
131.03574	2.4
135.04518	2.1
137.09744	7.0
139.11310	58.6
155.10796	40.3
160.01686	5.8
161.04642	5.0
163.04034	2.0
165.04227	1.4
169.12346	2.9
173.04578	1.9
175.04030	10.8
177.04092	14.1
181.12355	15.9
183.08655	2.0
183.10281	58.7
191.05655	18.1
193.05124	3.1
197.11888	1.6
199.09772	11.8
199.13501	2.1
225.11400	11.3
231.74236	1.2
233.12811	1.4
235.06183	2.4
241.10738	2.8
243.12428	3.0
283.10358	2.9
377.14584	6.1
397.11557	1.5
449.19662	5.1
449.24466	6.0
463.21799	2.6
491.22070	2.3
509.23062	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	509.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98830	57.7
67.73448	12.5
71.01394	15.5
73.58360	13.8
81.35184	13.5
85.02957	11.9
92.10172	30.6
95.40785	13.2
121.02948	64.9
135.04465	16.5
141.15594	13.0
155.10750	15.9
170.26842	15.4
173.04509	16.4
183.10197	17.1
191.05727	21.1
219.46004	13.9
234.88553	15.2
240.74422	15.0
297.21106	16.4
374.73419	15.3
509.19208	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	509.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68839	11.7
59.01396	68.7
61.98843	100.0
121.02959	33.6
185.97148	14.8
201.93100	15.4
209.11989	17.5
250.61263	16.9
338.64536	15.9
377.77982	15.9
391.66135	19.6
509.34961	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	509.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63943	0.4
57.03461	1.1
59.01388	100.0
61.98850	0.8
63.89888	0.5
71.01390	8.7
72.23650	0.5
72.99326	2.3
73.02971	2.4
75.00879	5.3
77.42251	0.5
83.01408	1.0
83.05062	0.8
85.02962	6.6
87.00879	3.0
88.98824	0.5
89.02454	3.8
91.01899	0.8
93.03461	5.6
94.03864	0.5
95.01401	0.8
96.96017	7.0
99.00906	3.2
101.02456	5.4
106.12881	0.5
109.02963	1.2
111.04556	0.6
113.02476	4.5
116.92863	3.5
119.05043	2.3
121.02962	12.2
135.03036	0.5
135.04527	2.4
137.02449	2.6
150.03249	31.8
152.01093	0.7
154.99811	0.6
155.08220	1.1
155.10794	3.1
163.03996	1.1
163.11429	0.6
165.05586	15.9
173.04607	1.0
175.03989	0.6
177.04137	0.7
183.06668	7.8
191.05646	15.0
195.98814	0.5
199.09813	0.9
209.11899	8.0
211.07689	0.8
217.10886	0.5
361.18741	0.9
449.20227	3.6
477.20090	5.9
492.07333	0.6
509.08740	3.3
509.23108	5.3
509.29410	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	2.1
59.01389	2.0
61.63456	0.2
71.01399	1.2
75.00885	0.3
75.79113	0.2
79.30914	0.2
79.76562	0.2
85.02980	0.8
86.46995	0.2
87.00879	2.8
92.10098	0.5
93.03471	1.0
95.72976	0.2
96.58672	0.2
101.02450	0.8
102.71919	0.2
106.04237	0.4
107.05044	3.1
108.02187	0.2
109.02980	0.2
117.03471	0.3
119.05041	5.5
121.02968	9.6
123.04520	0.9
124.01659	0.3
125.02480	0.4
133.02939	0.2
133.06709	0.2
134.03755	20.2
135.04535	100.0
136.04854	0.4
137.06119	0.2
137.51987	0.2
141.01918	0.4
146.03766	0.8
147.04547	4.7
149.99609	0.3
153.12843	0.3
156.19052	0.2
165.05583	12.8
168.00658	1.0
169.01059	0.3
191.05698	0.4
195.06755	0.2
209.74084	0.2
228.00531	0.2
265.26620	0.2
279.11624	0.2
320.06345	0.2
326.54941	0.2
393.17975	0.4
401.12540	7.0
509.12387	1.4
509.29770	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46862	0.2
59.01390	2.0
61.15492	0.2
61.98838	2.2
69.00377	0.2
71.01402	0.8
73.02947	0.2
77.15002	0.2
85.02963	0.4
92.10176	0.3
93.03463	0.8
96.95450	0.2
96.96051	0.2
97.34945	0.2
98.41560	0.2
101.02430	0.2
108.02214	0.4
113.02499	0.3
119.05003	0.2
121.02966	7.1
122.03764	1.5
135.04575	0.3
137.02446	0.3
145.03012	0.4
150.03209	2.2
161.02434	0.3
169.06674	0.3
173.04486	0.3
181.06604	0.2
183.08076	0.2
191.05641	0.3
197.06104	3.4
197.33783	0.2
198.06895	100.0
199.07541	1.5
207.68915	0.2
211.07701	1.1
213.15076	0.3
223.07677	0.7
241.08705	4.1
253.08632	1.4
374.10095	1.3
449.24066	1.1
454.23157	0.2
465.15656	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	509.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95108	2.5
58.69601	2.3
59.01395	16.0
61.54109	2.2
61.98856	4.0
69.03458	72.8
69.03809	3.6
72.42435	2.3
73.37994	2.5
79.01891	5.9
84.58110	3.0
88.97531	2.4
95.01382	4.6
97.02956	39.6
107.01393	40.4
107.67536	2.4
114.37354	2.5
116.66545	2.3
116.67429	2.9
121.02953	11.9
123.00885	10.2
125.02450	100.0
135.00899	19.6
140.09375	2.9
151.00385	53.9
167.34456	2.9
177.01935	3.5
190.95355	3.1
197.05974	3.5
207.88988	2.6
209.12006	2.8
232.46695	2.4
236.64555	3.1
242.05864	52.0
243.06589	3.1
244.93593	2.4
263.23691	3.1
509.14670	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	8.0
71.01383	5.7
73.02934	0.5
75.00887	0.4
85.02966	2.5
85.60427	0.4
87.00874	1.7
89.02448	1.8
93.03441	0.8
95.01400	0.6
96.96009	0.7
101.02431	3.4
113.02465	2.6
115.73177	0.4
119.03497	0.6
119.05011	17.9
121.02948	100.0
123.83390	0.4
134.03760	2.7
135.04523	68.3
137.02428	0.4
137.06038	0.4
146.03731	2.8
147.04533	18.4
149.02434	8.8
161.02446	0.5
161.04526	1.7
163.04021	7.6
165.05574	1.5
177.01944	42.5
189.05545	0.4
191.03534	0.5
192.04323	10.8
193.05069	0.7
207.06624	1.7
217.05075	0.5
223.06107	2.2
225.07646	0.5
283.08368	0.5
309.09750	1.5
369.11667	0.4
401.12537	0.5
463.21799	0.8
502.97507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81704	0.5
55.01886	0.5
56.52092	0.4
57.03454	0.8
59.01104	1.1
59.01385	18.6
69.03474	0.7
70.02981	1.0
70.06612	0.5
71.01389	5.8
73.02952	2.3
74.02469	0.9
75.00871	2.9
76.14779	0.5
79.03777	0.5
83.01385	0.6
83.04995	0.7
85.02955	17.2
87.00880	4.7
87.04504	0.8
89.02448	4.2
93.03453	7.8
97.02956	1.1
99.00880	1.3
100.00402	3.8
101.02426	2.7
109.02960	2.7
111.02016	0.7
111.04503	1.3
113.02461	1.2
114.43961	0.5
121.02947	2.8
127.04021	3.5
129.01932	1.2
135.04497	1.2
137.02429	1.0
137.09689	0.8
139.11314	0.7
143.03391	0.7
143.87411	0.5
155.03624	0.8
155.10799	9.3
161.00713	1.1
163.00941	2.6
170.02495	5.8
171.02916	1.0
173.04588	4.0
174.00156	1.3
177.04021	2.9
183.03259	4.7
188.01782	4.3
190.03404	3.9
191.00508	5.4
191.05632	100.0
192.01251	0.9
199.09775	2.3
201.99651	1.0
202.03346	1.4
216.01280	11.4
218.02806	8.3
230.02777	2.7
239.04956	0.6
245.03883	2.4
247.05284	1.2
262.91043	0.5
273.03436	15.9
289.03006	0.7
317.02444	15.9
365.10843	1.1
377.14465	1.1
407.12146	1.0
449.20084	2.4
463.21677	0.7
509.08688	27.4
509.18854	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	509.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17428	0.4
55.01893	0.9
59.01391	6.9
60.99315	17.1
63.40692	0.4
64.63144	0.6
69.03461	0.6
71.01386	3.7
72.99340	0.8
73.02942	0.6
75.00878	1.2
81.03457	1.3
85.02960	2.6
85.35621	0.5
87.00837	0.8
88.98811	100.0
89.02446	0.6
92.10098	2.9
93.03462	1.4
95.88110	0.5
96.96016	1.2
101.02456	3.4
107.22698	0.6
108.02190	68.2
109.02970	12.0
111.00891	0.7
113.02448	1.0
117.15384	0.5
119.05029	0.9
121.02943	4.9
129.01909	0.6
135.04558	2.5
137.02458	0.9
148.18945	0.5
150.55615	0.5
151.04028	1.1
152.01180	36.1
153.01965	10.7
155.10892	0.7
159.85826	0.5
163.04037	0.8
163.08621	0.6
177.04045	0.8
179.03543	0.6
183.13904	0.6
191.05595	2.6
199.13490	0.7
245.13965	0.8
274.90909	0.6
419.09927	39.6
465.19586	0.8
499.53717	0.7
509.21436	1.5
509.29700	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	509.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37494	0.4
53.31361	0.4
57.15668	0.4
59.01395	4.9
61.98836	1.0
63.46673	0.5
65.03984	0.6
68.99821	0.6
80.02705	0.6
85.57590	0.5
87.00855	0.6
90.04520	0.5
91.01894	61.6
93.03497	1.0
96.93621	0.5
106.42745	0.5
107.05100	0.9
108.02187	2.3
109.02959	9.2
119.05035	0.6
121.02966	6.2
123.04529	0.7
133.03008	0.6
135.00893	100.0
137.02467	6.5
140.47620	0.5
149.02431	2.3
153.01947	13.7
161.02492	1.0
175.04021	2.9
177.02068	0.6
189.01930	0.7
197.06110	0.9
214.14310	0.6
225.05534	0.7
243.06645	7.9
291.14182	0.5
300.49921	0.5
316.15112	0.5
358.55350	0.5
401.08862	45.5
410.59723	0.6
497.44623	0.5
509.14761	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	507.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81672	0.2
54.82365	0.2
59.01379	1.9
71.01396	1.3
73.02960	0.5
78.12614	0.2
84.83936	0.2
85.02995	1.0
89.02455	0.3
92.10744	0.4
101.02446	4.7
111.26683	0.2
113.02465	0.3
114.20316	0.2
129.49403	0.2
129.50380	0.2
131.03493	0.3
135.99866	0.2
163.06120	5.3
181.07201	0.9
190.31677	0.3
211.38257	0.2
283.26477	100.0
284.26898	1.2
408.66760	0.2
447.33258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63906	0.4
59.01394	5.3
65.26752	0.5
71.01387	3.1
83.01379	0.6
85.02988	1.0
88.98795	0.5
89.02461	2.1
96.96046	3.8
101.02435	3.3
113.02477	1.7
121.02974	0.7
122.02488	100.0
136.04050	14.6
137.08826	0.5
163.06125	1.1
164.03563	0.9
166.05034	0.6
181.07126	2.1
191.05620	0.5
205.07207	0.5
325.11472	9.7
354.86090	0.6
416.65347	0.5
448.14792	7.5
525.21936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11924	2.3
53.79270	3.5
57.25893	2.4
59.01398	6.7
65.82053	2.8
66.83999	2.6
72.05750	2.6
91.00622	2.8
91.58973	2.8
97.06588	3.4
102.10268	2.7
109.65891	3.6
120.73612	2.5
146.88405	3.0
158.41318	2.9
158.87772	2.9
197.11751	4.2
209.11823	12.3
272.46115	3.0
290.72287	3.6
351.16339	3.0
405.31378	4.5
405.63696	3.3
407.33112	6.6
441.34076	3.6
451.31897	6.3
453.33902	44.9
471.34891	100.0
507.26215	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	507.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52749	38.9
59.00365	36.4
59.01384	100.0
61.98847	86.9
63.73857	38.8
71.24538	40.2
78.53398	45.3
78.90942	39.2
81.72969	38.1
92.10134	75.6
116.82458	41.6
131.06940	47.1
168.09633	40.9
178.94247	44.3
214.57936	45.0
266.08173	52.8
319.98767	42.9
334.99612	50.5
370.39362	53.2
378.97656	49.6
389.44913	49.3
447.85764	53.1
469.36887	52.5
507.32800	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	507.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62638	5.4
58.03537	5.1
58.32523	5.1
59.01397	13.1
59.70716	5.2
61.98839	8.3
62.58375	5.4
66.16113	6.4
70.12220	5.9
78.95923	32.1
152.99593	32.1
155.00034	6.7
167.38567	6.1
277.21854	48.4
278.22055	36.4
279.22375	56.0
365.27966	7.5
411.32932	9.9
446.21503	8.6
471.35065	100.0
507.26331	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	77.8
61.98845	47.1
78.95941	51.3
95.79625	61.4
101.76476	60.4
115.43365	59.4
171.90446	59.8
222.10437	56.1
400.65231	58.5
469.32935	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	507.325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26322	16.7
54.98113	18.9
55.82220	16.3
58.06483	17.5
59.01387	100.0
61.98829	20.8
68.53950	20.7
70.00902	17.2
84.09673	19.8
92.10221	23.1
144.44055	18.8
353.04184	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	507.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35913	2.8
78.95909	19.9
107.10754	2.7
117.91713	2.8
118.81931	2.8
137.51872	2.5
152.99635	31.7
279.23346	100.0
329.48184	3.2
334.52521	3.4
389.17725	2.6
430.71548	3.3
469.33224	4.4
471.34763	53.4
507.27448	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43217	1.2
59.01379	1.3
62.71587	1.3
77.32462	1.6
78.95902	20.6
92.10122	4.9
92.66306	1.3
97.59780	1.5
133.07867	1.4
152.99606	30.5
171.00691	2.0
227.03139	1.6
228.52139	1.8
245.04442	1.7
279.23312	100.0
459.01550	1.6
471.34793	22.3
473.50284	1.6
507.27341	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80526	34.2
55.46887	49.2
59.01389	100.0
61.08195	38.9
61.98839	91.7
63.02427	36.0
78.63492	34.5
91.00710	36.6
108.18900	40.0
130.51178	40.4
135.90964	42.9
250.09134	37.9
279.22357	62.2
329.83319	40.4
346.10870	43.4
507.25659	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86239	1.1
64.34516	1.1
69.37288	0.9
78.95905	17.7
101.93097	1.0
120.97195	1.0
152.99612	27.9
201.14082	1.4
227.03323	1.4
279.23343	100.0
471.34930	27.7
498.61414	1.3
507.27414	38.2
508.28745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2819
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
53.12552	0.3
55.01894	2.1
57.03464	1.9
59.01392	13.2
59.04721	0.3
59.30869	0.4
60.99319	0.4
61.98846	1.7
69.03457	0.4
69.14872	0.3
71.01393	10.1
72.99335	0.8
73.02969	3.9
75.00893	0.7
83.01400	3.4
85.02963	7.2
87.00892	1.6
88.98818	5.8
89.02467	1.9
90.50629	0.3
92.10841	0.5
93.03485	1.8
95.01433	0.5
95.05026	0.5
96.96020	0.5
97.02959	0.5
97.06596	4.5
99.00877	1.6
101.02433	8.1
109.06607	2.1
111.00932	1.7
113.02460	3.3
119.05016	0.7
121.02967	1.4
125.02455	1.7
127.07674	0.8
129.01958	0.4
135.03075	0.5
135.04521	0.6
137.02438	0.8
138.06870	1.5
139.03975	0.4
141.12875	0.7
143.07150	0.5
148.05273	0.3
149.99605	1.2
159.03008	0.4
161.04515	0.5
163.03960	0.5
168.00610	1.6
173.04524	0.6
173.08206	0.7
174.26030	0.4
179.03540	0.5
183.13945	2.6
184.60617	0.3
191.05586	1.7
193.94940	0.3
207.90350	0.4
227.12874	1.2
263.20206	1.9
281.21310	0.5
326.21768	0.3
345.22827	3.5
362.19897	0.5
391.19525	0.4
407.20486	0.3
425.25613	0.5
447.18933	1.7
489.27051	2.1
507.12695	3.7
507.28186	100.0
508.28473	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.2
55.03585	0.6
57.03457	1.4
58.00605	2.9
59.01386	100.0
61.98835	2.5
64.20504	0.6
69.03463	1.2
71.01383	61.4
72.99313	4.2
73.02946	22.9
75.00864	0.8
79.09183	0.5
80.58133	0.5
83.01411	3.2
85.02953	11.7
87.00896	3.5
88.98802	0.7
89.02444	93.5
89.90511	0.6
93.03458	1.2
95.01398	1.5
97.02944	2.5
99.00884	25.8
101.02443	38.7
101.03094	1.3
104.54243	0.6
108.02166	0.7
109.02979	0.8
111.32407	0.7
113.02457	16.7
115.04059	0.7
119.03500	14.9
121.02949	6.4
125.02441	4.6
131.03511	12.4
135.04527	2.6
137.02454	2.4
138.81750	0.6
143.03517	1.4
149.04570	31.6
161.04532	2.6
165.22595	0.6
179.05621	3.6
181.08698	1.2
191.05646	12.0
221.06721	2.9
224.35588	0.6
233.06685	1.0
251.07814	4.5
267.19867	0.8
315.18231	1.1
381.16290	0.8
447.22430	91.9
448.22870	1.0
507.27841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06154	0.2
55.01891	2.7
55.39499	0.2
57.03454	2.1
58.00603	0.4
59.01388	15.5
60.99320	1.2
61.98838	6.3
65.82731	0.2
69.03461	0.5
71.01386	30.6
72.99323	1.1
73.02950	16.1
75.00896	1.1
77.27334	0.3
79.00129	0.2
83.01394	6.0
85.02961	15.8
86.00095	0.4
87.00876	2.1
88.98815	5.5
89.02448	6.0
93.03442	0.3
95.01382	2.1
95.17050	0.2
96.96027	0.3
97.02934	2.0
99.00889	7.2
99.04523	0.4
101.02452	30.6
108.02211	0.3
109.02990	0.5
111.00868	0.5
113.02461	14.2
115.04015	1.1
119.03533	0.3
119.05015	1.4
121.02956	1.3
125.02456	2.1
129.01999	0.7
131.03532	1.4
135.04524	1.4
137.02435	0.4
143.03529	2.4
145.02983	1.8
149.02463	0.3
149.04561	0.4
149.99600	0.2
152.01233	0.3
153.12825	0.4
159.03009	3.5
161.04576	18.1
163.03992	0.5
171.13841	0.2
173.04544	0.3
183.13898	1.1
191.05638	1.6
199.09691	0.3
205.03539	0.3
227.12991	0.3
233.06635	1.1
268.44592	0.2
270.11353	0.2
315.18210	21.8
342.56946	0.2
447.22452	100.0
448.22858	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82142	5.6
59.01378	56.3
88.98824	9.7
121.02953	7.6
166.02701	24.2
179.03622	6.0
181.05078	58.0
197.11920	46.9
208.55087	6.9
309.20776	100.0
436.78531	6.6
445.14273	6.2
473.45880	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	507.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03483	4.5
59.01389	100.0
61.98840	9.6
71.01396	6.5
81.70546	5.7
92.10798	12.5
93.03462	8.2
121.02977	23.9
125.02476	6.6
137.09772	6.7
171.10277	26.7
185.11864	21.5
190.73848	5.6
191.05656	5.5
291.19705	30.3
309.20901	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58889	3.3
52.67290	3.7
53.83216	4.1
53.94128	3.8
59.01393	100.0
61.98850	20.3
68.82172	4.2
71.01411	25.7
73.02953	10.2
74.52855	5.4
84.83577	5.1
85.02993	7.8
89.02491	9.3
93.03458	7.5
99.46442	4.5
101.02451	25.4
113.02394	5.0
119.03470	7.2
121.02997	21.8
135.04555	29.2
137.02455	6.8
137.59064	4.5
155.63129	4.6
173.04726	5.9
173.06126	11.7
181.12321	5.2
183.18837	5.1
187.07668	26.2
197.11880	11.8
201.05605	34.7
201.09291	5.6
202.06441	9.1
229.08737	26.9
230.09549	35.5
309.20795	74.5
410.15872	27.3
507.24017	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	507.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11502	1.3
55.01897	3.4
57.03459	6.0
59.01389	53.5
60.99321	2.9
61.98844	12.4
71.01383	58.6
72.99325	7.8
73.02946	20.2
73.03244	1.2
75.00900	1.9
76.57117	1.4
82.67293	1.2
82.95438	28.3
83.01395	5.8
85.02956	25.9
87.00897	3.0
87.80433	1.5
88.98814	22.0
89.02451	23.5
89.90814	1.4
93.03448	11.6
94.04327	1.4
95.01397	7.1
97.02985	2.0
99.00889	10.4
100.46186	1.5
101.02445	40.2
101.06021	1.6
106.23000	1.7
108.02184	7.7
109.02982	3.7
111.00895	1.5
113.02483	21.1
114.38296	1.9
119.03535	2.7
119.05042	2.6
121.02961	6.6
124.01727	1.5
125.02448	2.9
127.06680	1.6
130.23526	1.6
135.04533	6.4
137.02480	11.6
145.02995	15.0
146.31581	1.4
152.01190	8.0
159.03059	2.0
160.01657	1.9
161.02388	1.5
161.04594	12.9
163.04068	2.7
169.01396	1.4
173.04581	2.2
175.03963	1.7
177.01955	8.3
180.07959	3.4
191.05672	3.7
211.13451	18.8
221.33458	1.6
315.18213	16.8
447.22403	100.0
471.13174	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86082	1.5
57.03463	1.6
59.01386	36.7
71.01390	17.6
71.01710	1.3
72.18421	1.4
73.02951	3.0
75.00902	1.7
85.02982	8.1
86.29543	1.6
89.02428	11.5
93.03458	1.8
96.96014	27.4
96.96962	2.6
98.85671	1.5
101.02444	14.3
113.02449	11.1
116.92886	7.3
120.67470	1.6
121.02957	100.0
123.04523	29.8
125.84853	1.6
135.04471	1.8
141.01715	2.2
153.05585	29.8
163.04057	5.5
163.06187	9.7
177.04114	2.1
191.03568	6.7
191.05740	2.0
196.67616	1.8
205.07184	2.6
268.30399	1.6
292.05756	1.9
293.08853	2.1
302.60059	1.8
325.11487	30.4
418.20502	1.7
435.71988	1.8
447.15192	3.6
507.14917	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08767	5.5
54.82801	8.6
59.01395	44.5
61.98841	15.0
69.56909	5.9
71.01425	9.5
73.76671	6.4
84.68181	6.2
93.03455	6.2
97.01601	7.5
109.45184	6.9
121.02966	14.8
131.68877	7.2
197.11858	49.4
291.19583	9.4
309.20834	100.0
498.66241	8.0
506.36008	7.3
507.35031	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	507.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01111	0.8
59.01386	13.3
71.01383	10.3
73.02949	2.2
73.79463	0.4
77.92296	0.4
83.01387	1.8
83.89834	0.4
85.02958	4.4
89.02449	5.3
92.66409	0.6
92.70596	0.4
97.02967	0.9
99.00923	0.6
101.02445	12.8
112.81011	0.4
113.02444	4.2
119.03521	0.7
121.02956	100.0
122.03288	0.7
131.03540	0.6
135.04532	49.0
147.04575	0.5
161.04572	1.8
163.04071	3.9
163.06122	5.7
181.07196	7.2
205.07202	1.7
325.11475	38.5
326.11493	0.5
401.93976	0.4
431.39975	0.5
447.15094	16.6
493.62723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83630	1.1
54.72028	1.2
56.00608	0.9
57.03454	12.6
58.00580	1.3
59.01385	100.0
61.98833	8.1
64.43592	1.2
69.03475	2.7
71.01383	26.0
71.99734	1.0
72.99308	5.4
73.02947	5.3
75.00871	49.0
76.58697	1.1
83.01385	3.1
84.02178	1.9
85.02953	25.1
87.00871	18.8
88.98822	2.8
89.02440	9.1
89.17651	1.3
92.10780	1.8
93.03473	7.4
97.02941	3.0
99.00885	11.0
101.02456	6.8
103.00365	1.8
109.02958	1.5
111.00902	3.0
113.02497	1.8
117.01929	1.3
119.05042	5.3
121.02921	9.2
127.78780	1.2
129.01958	18.1
135.04535	6.4
137.02417	2.2
141.01949	1.8
159.02995	5.0
170.57645	1.2
173.04544	7.0
175.04015	1.3
177.04060	99.3
178.92604	1.5
178.99789	1.6
179.03426	1.6
181.10771	2.8
181.12358	62.8
183.10162	2.1
184.31259	1.5
191.05634	2.8
195.13890	5.1
225.09314	1.6
225.11295	10.3
227.51372	1.6
263.12924	2.6
285.13641	2.0
286.01270	1.7
296.32086	1.4
329.03024	2.6
359.17142	33.7
385.15121	2.8
403.16174	28.1
421.17123	6.9
445.17145	6.4
463.18307	96.2
507.11768	6.6
507.27832	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	507.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
60.99313	18.8
67.39976	0.3
71.01371	0.3
82.40198	0.3
88.98805	100.0
92.10129	0.4
94.71086	0.4
97.54613	0.3
118.38129	0.3
121.02962	7.1
121.11624	0.3
134.36575	0.3
164.02191	0.3
229.58397	0.3
232.30072	0.3
283.52087	0.4
285.65750	0.3
417.11993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1149
Annotation	Moghanin A
Peak:m/z	Relative Intensity
57.02943	0.7
59.01394	1.9
59.26947	0.7
69.03477	4.7
81.03478	1.2
83.01403	1.1
95.01406	3.8
97.02957	3.7
101.02408	1.1
107.01398	1.5
109.02983	1.1
121.02988	1.5
123.00900	12.2
124.01672	34.4
125.02448	71.1
132.02188	2.0
134.03752	12.8
137.02438	5.3
149.99602	65.4
151.00388	3.4
160.01674	15.7
161.02501	1.5
167.03453	1.2
168.00648	93.8
169.01422	7.4
175.04002	15.3
179.03389	0.8
193.05090	5.4
200.89120	1.0
250.24899	0.9
313.05765	4.3
331.06781	19.9
337.09512	1.3
489.10428	1.4
507.11517	100.0
507.27838	4.6
508.11700	1.0
514.78314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.9
59.67958	1.7
61.98839	100.0
62.37739	1.7
62.77239	2.0
75.42215	1.7
91.56139	1.8
100.01244	1.8
103.14872	1.7
119.27795	2.0
133.44444	1.9
149.05908	2.2
162.95059	2.5
520.04169	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	506.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49181	0.4
59.01389	0.8
61.98836	100.0
70.18823	0.4
92.10815	1.0
97.51341	0.5
120.05839	0.4
135.04677	0.5
216.19176	0.4
337.14417	0.5
355.91174	0.5
383.92023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88712	1.6
53.08270	1.8
59.01391	27.4
71.01381	16.1
72.99326	3.9
75.00872	14.7
80.82853	2.3
85.02959	12.3
87.00902	4.8
88.98822	2.3
89.02451	4.0
95.01360	2.8
99.00907	9.8
113.02457	19.3
123.08847	2.4
132.35037	2.2
175.02486	2.4
213.71475	2.0
249.06236	8.9
255.23340	100.0
270.87384	2.8
277.65674	2.2
469.33252	42.2
474.55377	2.4
505.30243	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54222	1.8
57.03455	3.1
59.01385	32.6
61.08047	1.7
61.29382	2.2
61.98566	1.9
61.98845	15.3
71.01382	20.5
72.99323	2.5
73.02975	2.4
75.00887	15.2
76.58427	2.1
84.61926	2.3
85.02953	22.5
87.00882	5.0
89.02449	10.1
92.10162	4.6
95.01405	4.1
99.00890	12.2
105.13906	2.2
113.02455	26.3
131.42392	2.2
196.45447	2.1
203.28903	2.3
228.37315	2.5
249.06107	4.2
255.23326	99.0
265.96756	2.4
267.07236	3.0
268.99396	2.5
467.09592	2.9
477.48724	2.5
505.30270	100.0
516.94067	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	505.3551
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
51.55269	0.5
59.01410	4.2
61.98845	0.5
68.23045	0.4
79.86481	0.5
80.76208	0.5
93.33215	0.5
95.87826	0.5
121.02995	1.2
139.79813	0.5
140.69743	0.4
190.18788	0.6
409.31662	0.7
487.33325	0.9
503.33752	1.8
505.35455	100.0
506.35693	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.258
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01384	1.3
62.96421	0.9
70.19771	0.6
72.61479	0.6
75.47164	0.6
78.95906	34.5
81.62524	0.6
83.66550	0.5
94.22485	0.6
96.96972	4.2
97.63362	0.6
98.81674	0.5
99.24397	0.6
105.40965	0.6
116.39636	0.6
126.93916	0.7
129.88882	0.6
152.99596	50.3
171.00720	1.0
179.87218	0.6
227.03320	4.9
227.73409	0.7
245.04468	0.9
277.21732	100.0
278.22037	1.3
284.21170	0.8
505.25800	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39047	0.6
59.01387	100.0
61.98849	1.4
71.01395	1.0
92.10720	1.8
93.03469	0.9
105.01951	4.7
110.39046	0.9
121.02960	6.4
135.04547	3.2
136.05299	2.0
137.02481	1.1
137.30362	0.8
164.04807	47.0
173.04559	3.1
179.03505	1.2
179.07149	47.9
191.05598	3.4
209.11841	1.8
239.82288	0.8
263.38434	0.9
290.94678	0.9
358.88083	0.9
504.34491	6.8
505.34348	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	505.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73865	0.8
55.01882	2.5
57.03451	4.5
58.00616	0.9
59.01390	55.8
59.01694	2.0
59.20889	0.9
60.99313	9.5
61.98838	1.2
71.01385	55.9
72.99397	0.9
73.02947	21.0
75.00883	2.0
81.03491	1.2
83.01374	7.9
84.95120	8.2
85.02956	21.5
87.00907	5.5
88.98808	52.8
89.02444	44.8
92.10812	3.4
93.03465	6.4
93.88526	1.1
95.01397	2.6
96.95968	1.9
97.02949	1.7
99.00893	15.2
101.02448	42.2
108.02204	9.0
109.02970	10.1
113.02452	18.0
115.04061	1.7
119.03513	6.4
121.02941	10.8
125.02450	5.1
131.03516	4.3
135.93481	1.1
137.02473	4.2
143.03534	1.3
149.04602	11.9
152.01170	8.4
153.01973	6.2
159.03021	1.4
161.02454	1.1
161.04628	8.3
163.04117	1.2
183.13924	1.5
191.05664	10.2
251.07719	1.1
313.16666	16.9
445.20868	100.0
505.17105	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	505.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09524	0.5
55.01884	0.6
57.32109	0.6
59.01398	34.3
59.46759	0.5
61.98842	1.3
66.66118	0.5
67.07850	0.5
69.03470	2.5
71.01393	23.7
72.99347	0.8
73.02962	2.7
75.00879	1.2
76.58636	0.6
81.03496	0.8
83.01408	1.6
85.02975	8.3
87.00890	4.3
89.02451	22.8
93.03468	1.4
95.01414	3.0
96.96024	6.5
97.02951	1.4
99.00908	1.5
100.26601	0.6
101.02450	12.1
108.02173	0.7
109.02975	2.9
113.02468	9.2
116.92905	0.7
117.02009	0.9
118.87633	0.6
119.03531	8.3
119.05018	1.5
121.02964	100.0
123.00868	2.9
125.02467	8.1
133.02960	2.7
135.04538	53.1
136.01697	0.9
138.03273	0.6
143.03526	2.5
151.04013	1.1
161.02464	6.3
161.04570	10.3
163.04073	6.5
166.99860	3.4
179.03809	0.8
179.05618	21.0
182.02180	8.1
187.02899	0.7
191.05592	3.6
194.42136	0.7
197.04588	9.4
221.06496	0.7
223.06143	1.1
225.37091	0.8
226.06378	1.0
227.07144	3.4
237.09096	1.0
247.33229	0.8
255.10312	8.4
283.08386	2.7
314.49600	0.7
323.09933	6.3
445.13599	17.6
505.07135	0.9
505.14154	6.6
508.30878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66066	0.7
52.05057	0.8
55.01891	1.2
56.62114	0.9
59.01386	64.7
71.01384	38.1
73.02938	8.8
73.30302	1.0
83.01423	2.5
85.02965	9.0
87.00896	4.0
89.02447	45.0
93.03467	1.3
94.85098	0.9
95.01404	2.4
96.96017	4.8
97.03001	3.9
98.95615	1.2
101.02451	36.3
108.02235	1.7
109.02980	4.8
113.02488	15.4
119.03508	18.7
121.02966	100.0
121.11964	0.9
125.02459	16.7
131.03516	1.7
135.04539	1.5
143.03519	5.8
152.99065	1.1
161.04576	6.5
163.04022	2.1
179.05640	26.8
197.04636	1.4
214.60402	1.1
221.06740	5.4
226.06406	2.3
227.07162	4.5
253.08867	1.7
255.10339	19.0
305.08658	1.7
323.09808	8.8
376.67770	1.2
450.44492	1.1
505.13736	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	505.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.9
59.01389	29.6
64.32223	1.5
69.03456	2.0
71.01382	36.2
73.02950	19.2
75.45995	1.2
83.01392	7.0
85.02981	3.6
87.00892	2.2
88.98802	1.9
89.02467	9.7
92.10165	3.0
93.03477	7.2
95.01395	6.8
96.96036	2.1
97.02940	14.7
98.20681	1.4
101.02448	28.7
101.44834	1.4
108.02167	11.2
109.02963	21.5
113.02455	8.3
115.00366	14.9
119.03537	2.6
119.05042	8.8
121.02958	84.6
122.03771	7.0
123.00893	28.3
125.02442	2.9
133.36261	1.4
135.04530	66.2
138.03247	17.4
143.03506	2.6
148.05321	3.6
149.06178	1.6
153.05573	6.2
154.02719	1.5
161.04572	15.1
161.05959	3.1
163.03999	6.0
166.99870	32.3
179.03468	14.2
179.05661	3.3
182.02228	98.9
191.05537	2.5
197.04582	100.0
226.06371	16.4
227.07191	68.4
244.58769	1.5
253.08711	6.2
255.10312	97.7
283.08295	2.9
343.08560	4.8
446.25110	1.7
505.13620	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	1.5
57.03460	7.3
57.98230	0.7
59.01384	11.9
69.03484	0.7
71.01382	42.0
73.02950	1.9
83.01404	1.6
83.54900	0.8
84.02177	1.5
84.84113	0.7
85.02953	54.9
89.02461	8.4
89.68236	0.7
95.01389	23.4
97.02985	1.2
101.02448	5.1
113.02457	100.0
115.29794	0.7
116.92833	6.0
119.03516	1.1
120.36635	0.8
121.02956	42.5
131.03456	0.9
135.04532	26.3
143.03468	3.6
161.04573	21.4
163.04024	4.0
179.05684	0.9
189.95459	0.7
223.06116	1.1
245.07063	0.7
262.30191	0.7
278.51657	0.8
283.40347	0.8
325.09012	1.0
516.41803	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23027	0.7
55.01892	7.6
57.03461	6.9
59.01386	35.1
71.01382	58.2
72.16129	1.0
72.99315	1.9
73.02947	21.0
73.03302	1.2
75.00868	1.0
83.01396	14.4
85.02950	43.7
85.03454	1.7
87.00883	5.9
89.02460	2.3
90.69593	0.8
92.10096	2.4
95.01394	5.5
96.96976	1.4
99.00882	11.5
101.02444	47.1
101.03102	1.8
111.00896	3.4
113.02454	27.1
114.07350	0.9
127.00379	1.0
129.02011	2.3
143.03482	1.5
145.74820	1.2
155.91469	1.1
156.89502	1.4
159.02992	4.3
161.04568	21.6
162.89365	1.4
163.06099	7.8
176.46037	0.9
182.24754	1.0
185.40961	0.9
188.38997	1.0
191.01990	5.2
191.05672	7.8
202.06564	1.0
224.00204	1.0
269.10303	16.3
313.09354	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	505.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82967	0.4
55.01898	0.3
59.01393	9.1
70.35561	0.4
71.01399	11.1
72.99306	0.5
73.02966	3.8
81.03487	0.4
83.01392	0.9
85.02969	2.5
87.00879	1.9
89.02465	3.4
97.02937	0.6
101.02451	15.1
113.02471	4.4
118.91677	0.4
119.03513	2.3
119.05061	0.5
121.02962	100.0
125.02452	0.8
132.48308	0.5
135.04536	57.5
136.04823	0.5
143.03476	0.4
147.04543	0.7
161.04527	3.2
163.04027	8.7
191.05597	0.6
193.05057	2.1
211.06160	0.9
215.88351	0.5
223.06151	3.2
283.08221	3.3
325.09323	3.9
362.34341	0.5
527.61896	0.4
527.71747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91020	0.3
59.01395	1.0
63.02410	0.4
65.00336	1.0
71.01405	0.6
83.01383	0.7
85.02963	0.4
88.98797	3.5
91.01903	0.5
92.10130	0.6
93.03475	0.7
103.06934	0.4
107.01425	3.1
108.02225	1.0
109.02985	2.6
117.03451	0.5
121.02989	4.9
135.00916	1.8
145.02946	0.7
148.01649	1.8
151.00394	12.0
163.00398	3.9
164.01146	0.6
173.04604	0.6
175.03964	0.8
178.99831	4.9
183.04506	0.6
191.05566	0.9
198.03310	0.7
199.04056	1.1
201.02017	0.7
201.05659	0.5
211.04019	1.0
215.03513	0.9
216.04242	0.9
226.02777	6.3
227.03499	5.1
228.04439	0.6
229.05148	0.8
243.00395	0.5
243.02977	22.6
245.04588	1.8
254.02240	5.8
255.03009	31.3
271.02518	100.0
272.03134	3.3
273.04031	0.6
283.02512	0.8
299.01968	2.0
300.02792	99.0
301.03580	27.1
342.40750	0.5
463.08771	1.0
505.09976	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	504.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.1
61.93167	0.1
61.98838	100.0
73.81398	0.1
77.75381	0.2
134.86185	0.1
237.60971	0.2
255.60068	0.2
528.41467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.6
59.01387	13.4
60.99310	1.5
61.98826	1.0
63.02423	0.8
64.48379	0.5
65.00341	1.1
71.01389	3.6
72.99294	0.6
73.02947	0.9
83.01392	0.9
85.02947	3.5
87.00873	1.0
88.98805	14.9
89.02444	1.4
90.65152	0.6
91.01900	3.0
93.03463	6.8
96.96056	1.3
97.72834	0.7
101.02438	1.5
107.01380	3.1
108.02179	7.6
109.02961	4.5
113.02392	0.6
115.00386	1.0
119.05008	1.3
121.02930	5.9
123.04522	1.5
124.63805	0.6
127.07603	0.6
129.01894	0.8
134.03667	0.8
135.00829	0.9
135.02992	0.9
135.04506	9.4
136.01620	1.2
137.02463	10.0
141.51897	0.6
145.02957	1.4
148.01663	2.8
149.00662	3.1
150.01018	1.1
151.00333	12.4
151.04095	0.9
151.07614	1.6
152.01161	9.5
153.01906	1.0
159.04320	0.7
160.01675	5.4
160.05350	0.7
161.02461	1.1
163.00356	3.7
163.04019	1.3
165.01888	4.3
167.03506	7.0
175.04024	5.5
175.05286	0.6
177.05603	0.9
178.99854	5.5
179.03526	7.4
180.04259	1.4
183.04436	0.9
187.03966	1.4
190.74590	0.7
191.05583	2.9
192.99588	1.1
194.99072	2.2
195.02966	0.7
195.06609	3.2
198.03142	0.7
199.03999	1.0
201.11343	2.2
209.04413	0.8
215.03522	1.1
226.02727	3.2
227.03529	5.1
239.03618	0.6
239.05659	6.0
243.00696	1.1
243.03026	20.4
254.02145	4.3
255.03012	32.6
256.03348	0.7
266.09552	1.0
267.10251	1.1
271.02524	85.6
272.03067	4.2
283.02377	1.0
299.01874	1.2
300.02805	100.0
301.03552	20.3
337.09283	2.5
351.51596	0.7
373.14615	6.3
383.73203	0.7
389.25372	2.8
463.08746	2.7
505.09845	53.6
505.21402	3.1
506.10223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95437	1.2
51.00962	1.1
55.01911	1.4
55.74004	1.3
57.03460	11.3
59.01401	10.7
61.98845	12.2
69.03468	3.1
71.01389	22.3
73.02955	7.3
83.01420	1.9
83.05029	1.7
85.02982	7.9
93.03423	1.7
97.02882	1.6
97.06610	1.6
99.00858	2.3
101.02444	10.6
111.08165	14.0
113.02469	9.5
121.03001	2.2
131.03758	2.9
135.04515	6.1
138.43500	1.4
143.03641	1.5
149.00539	1.5
149.21071	1.4
161.04565	20.3
165.12860	100.0
173.04562	1.5
176.67632	1.6
181.12364	2.6
183.13924	46.4
191.05644	3.0
191.10783	2.4
207.13911	1.5
209.11922	7.9
227.12944	18.1
251.12976	2.0
274.19226	1.5
293.13983	2.3
351.07040	1.5
482.24960	1.8
486.33115	7.4
503.33548	19.2
504.22614	71.8
504.34097	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06372	1.2
54.21045	1.4
57.51329	1.5
57.96203	1.4
58.91328	1.4
59.01385	100.0
60.22190	1.5
72.30315	1.6
74.17256	1.7
134.81941	1.6
137.07332	1.5
137.78839	1.5
154.71611	1.8
196.52065	1.6
279.10941	1.6
376.99503	1.8
429.04849	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	504.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70505	1.7
59.01387	20.8
59.22570	1.3
61.40729	1.6
61.98837	100.0
71.01379	7.4
78.95911	2.2
80.65971	1.7
83.05049	2.0
85.02944	13.0
87.00899	4.1
93.03455	48.7
93.04005	2.3
96.96016	48.7
96.96959	2.2
108.02152	2.5
109.02969	9.9
111.04533	3.7
117.03439	2.5
119.05035	15.3
121.02953	67.2
127.04069	2.5
128.56841	1.8
135.04527	2.8
137.02457	35.3
145.02931	25.9
153.01956	3.1
155.03552	10.8
163.04013	13.8
168.68588	2.1
169.23453	1.7
173.04558	99.1
174.04956	1.9
175.11298	2.8
191.05638	55.8
209.11888	4.1
211.33121	1.9
227.03528	3.7
281.10446	2.3
283.13489	4.1
295.08270	61.2
319.08316	18.5
399.14569	3.1
441.12000	3.4
452.69571	2.3
503.33813	2.0
504.21313	8.2
504.34415	3.8
524.05536	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3388
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.86154	0.8
58.49224	0.7
59.01390	18.5
61.98846	4.2
64.32016	0.7
67.01913	0.9
71.01403	4.7
73.02995	1.2
75.00926	1.0
82.67502	0.8
84.23580	0.9
85.02966	1.9
87.00876	1.4
88.98824	3.5
89.02439	1.5
90.69733	0.9
93.03452	10.3
101.02468	1.9
109.03008	1.1
113.02518	1.6
115.00391	1.1
119.05062	2.1
121.02946	9.8
123.04548	1.5
133.02901	0.9
135.04533	4.2
137.01514	1.0
137.02467	3.4
146.03619	0.9
147.04559	2.0
149.00682	5.8
161.04613	1.0
171.44659	0.8
173.04543	9.6
177.01968	1.1
179.03500	1.1
191.05659	2.1
192.99675	3.8
230.59438	1.1
236.98746	1.4
244.86752	1.0
255.06691	1.6
341.14032	5.1
443.26944	1.4
449.14297	1.2
468.27386	1.1
503.33981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3388
Annotation	Yardenone A
Peak:m/z	Relative Intensity
59.01392	6.7
61.98836	1.4
73.59312	0.7
74.40835	0.6
76.57732	0.6
91.49252	0.6
92.10188	0.6
101.02469	0.7
107.33828	0.7
119.08736	0.7
121.02992	1.0
142.92932	0.6
149.00677	0.7
173.04565	1.4
177.14517	0.6
190.90088	0.6
191.05676	2.8
357.26074	1.2
373.29065	8.1
375.27151	0.7
391.29984	2.8
407.29694	0.8
437.30328	1.0
439.32159	0.9
455.28253	0.8
485.32822	43.2
503.33960	100.0
504.34619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01431	0.3
59.01393	1.5
76.59572	0.3
455.30984	0.5
457.32361	0.5
503.33911	100.0
504.34421	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	2.5
58.87222	0.6
59.01399	1.4
61.98803	0.5
75.10303	0.5
78.95921	2.6
86.05377	0.6
97.06596	1.4
112.96569	0.6
121.02986	2.4
152.99608	3.8
191.14532	0.7
218.33057	0.6
231.21074	0.8
241.60359	0.6
245.04257	3.4
254.09488	0.6
275.20154	0.7
279.17001	0.8
381.28168	0.8
387.30478	1.0
389.28705	5.2
406.28873	7.8
407.29474	1.0
421.31219	2.9
423.32779	10.2
439.28278	1.1
441.32990	1.4
460.08850	0.7
467.32059	0.9
469.33340	100.0
470.33389	1.4
471.33746	1.0
491.88745	0.7
503.24832	1.3
503.33496	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	503.339
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
59.01399	4.6
61.77951	0.9
61.98823	1.1
64.69875	1.0
65.55871	0.9
97.06604	1.1
115.43497	1.0
124.62183	1.0
154.25974	1.1
166.50586	1.1
180.16547	1.5
190.47617	1.0
191.14403	1.0
193.15977	1.8
219.47772	1.1
237.14978	1.2
336.14914	1.3
387.30740	2.1
389.28604	6.4
423.32843	12.7
425.30551	5.1
441.33640	5.0
443.31668	1.7
455.31897	2.0
459.35175	1.6
467.31622	4.6
469.33316	100.0
470.33868	1.2
485.32541	2.4
503.33841	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48549	0.2
58.65777	0.3
60.84978	0.2
69.35934	0.3
73.02976	0.5
75.23044	0.2
86.28812	0.3
87.75671	0.3
115.33167	0.3
139.35539	0.3
257.52048	0.3
307.21069	0.3
371.28543	0.3
389.28561	0.7
391.30164	1.3
503.33917	100.0
504.34314	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3385
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.99551	0.8
57.40876	0.9
59.01390	2.0
59.30973	1.0
70.20966	1.2
72.19073	1.0
118.83549	1.1
119.06845	1.1
228.36076	1.0
455.31549	2.2
457.33090	1.6
486.09570	1.4
503.33911	100.0
504.34326	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38046	0.4
59.01389	24.0
61.98847	1.3
64.34499	0.6
71.01388	0.7
73.02965	0.7
83.41072	0.5
85.05286	0.4
89.02487	0.5
89.91840	0.5
101.02470	2.5
114.47290	0.5
124.72224	0.5
133.05035	0.6
137.86684	0.5
150.14223	0.6
163.06166	2.7
183.05298	0.5
185.02275	0.7
187.53844	0.6
194.88644	0.6
202.29282	0.6
212.61482	0.7
237.14069	0.5
260.47293	0.7
273.72424	0.6
279.23343	100.0
283.09521	0.6
302.50623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55106	0.5
69.30982	0.6
73.31562	0.6
90.80571	0.6
164.98502	0.7
277.39243	0.7
394.91025	0.7
433.60132	0.8
441.10986	0.6
463.91058	0.7
485.32898	7.6
503.33902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13274	0.4
51.84578	0.3
53.86349	0.4
53.94460	0.4
54.88955	0.3
56.36182	0.3
58.02989	10.3
59.01395	2.9
61.84299	0.3
64.99596	0.3
66.03497	0.6
71.01405	1.8
72.00928	2.0
74.02493	2.7
82.06663	0.8
84.08193	0.7
87.05656	14.8
88.04068	1.8
88.98902	0.4
89.02469	1.9
93.03478	4.5
98.01182	0.7
100.07705	0.5
102.85050	0.4
104.81250	0.4
106.04258	1.5
107.05041	2.1
110.02484	2.0
111.02036	2.4
111.05652	0.6
112.02803	0.7
112.04092	1.5
112.07692	0.4
113.07161	0.4
115.08786	29.5
116.07173	0.4
119.05039	12.7
123.13953	0.4
125.07247	1.8
127.08787	2.2
129.06711	10.3
129.10316	3.5
133.05316	0.6
134.06151	7.0
136.07703	2.0
139.08791	1.0
141.06725	23.6
141.10362	1.6
143.08281	0.9
148.05333	0.7
150.05614	0.9
153.06689	0.5
153.10353	2.2
155.08331	3.8
155.11919	13.6
162.05614	0.7
163.04033	8.1
163.08818	0.9
164.07262	0.8
165.13959	3.2
167.08284	2.2
173.09317	4.0
180.06694	27.1
180.11407	0.9
181.09769	0.4
192.99655	0.4
197.12975	0.7
198.12410	0.6
208.14565	1.0
209.12978	9.6
210.46841	0.4
211.14522	0.5
211.91008	0.4
218.07077	0.7
219.15038	2.3
222.12555	3.4
224.10588	0.6
226.15652	0.5
233.12975	1.7
235.14565	20.5
236.17728	1.8
240.13516	0.5
240.98578	0.4
244.09773	0.7
245.09315	0.5
254.18694	0.4
261.12482	2.6
263.13968	0.7
271.41599	0.5
278.18799	0.9
279.13525	16.3
293.08804	1.7
322.17749	0.8
329.18915	0.8
330.14621	8.0
346.21323	2.1
390.20380	1.8
406.87085	0.4
459.26147	0.6
503.25250	100.0
504.25562	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	6.3
61.98823	3.1
78.95901	71.7
96.96992	4.7
133.68672	3.6
146.99730	3.0
151.89156	3.6
152.99594	96.3
171.00676	31.1
231.21169	37.5
245.04341	100.0
250.03377	3.1
275.20251	44.8
312.87323	3.0
470.33865	12.4
471.33969	4.6
473.28271	3.3
478.28961	3.1
503.24561	39.9
503.33362	32.2
512.17780	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
64.10003	0.1
69.91068	0.2
78.95904	4.4
79.95737	1.0
87.00884	0.2
88.49751	0.2
92.10705	0.2
93.03487	0.3
94.37543	0.2
96.96014	100.0
96.96918	8.2
99.18826	0.2
137.02426	0.4
138.02835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.3
56.73182	0.6
57.03466	1.1
57.74843	0.6
58.00618	1.1
59.01389	100.0
60.12308	0.7
60.27409	0.6
61.98840	1.8
67.01897	1.1
67.21584	0.6
69.03464	5.8
70.87930	0.7
71.01387	53.4
72.99323	3.2
73.02945	11.6
75.00893	1.5
79.20142	0.7
79.82472	0.6
81.03481	2.9
83.01409	4.4
83.05054	1.0
84.95142	1.1
85.02947	11.8
87.00878	6.2
87.04521	1.3
88.98835	1.6
89.02445	46.1
92.10743	1.6
93.03462	7.6
95.01347	2.3
97.02951	6.5
99.00871	8.9
99.04520	0.8
101.02447	15.9
101.03010	1.0
101.06129	0.8
108.02248	1.1
111.00875	1.7
112.06017	0.9
113.02484	8.5
115.04037	5.1
119.03525	1.3
119.05037	1.6
121.02963	17.7
123.04585	0.7
125.02447	22.6
127.04028	0.8
127.58928	0.7
131.03523	4.1
132.02174	1.3
133.03070	1.1
134.03687	1.2
135.04539	9.1
137.02509	1.5
143.03542	0.9
145.02980	1.8
149.00662	6.2
149.04572	5.2
149.09735	38.6
160.01662	7.4
160.05363	4.7
161.04579	2.9
169.98050	0.7
173.04573	6.5
175.04001	1.1
175.07704	1.8
178.02678	0.9
191.05655	7.3
192.99638	3.4
195.13907	2.8
219.03036	3.0
219.06807	1.5
222.96387	0.7
233.06703	13.5
237.04034	0.9
239.13089	1.0
293.08871	40.6
364.18912	0.8
399.24072	10.6
417.25000	10.9
443.19177	11.8
443.25220	1.0
449.14661	1.3
503.16364	13.2
503.34036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03082	0.1
57.09980	0.1
59.01375	0.7
63.29685	0.1
69.17229	0.1
75.81567	0.1
78.95903	6.1
79.95732	1.2
87.00896	0.2
96.96011	100.0
96.96915	9.5
103.54256	0.2
121.90855	0.2
133.03038	0.2
137.02437	0.2
145.02995	0.2
161.02483	0.3
177.01967	0.2
191.05583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98455	1.2
58.12021	1.1
59.01388	24.7
60.99323	5.4
61.98840	3.4
62.55281	1.3
71.01385	23.6
73.02962	8.3
75.00909	2.3
77.70951	1.4
85.02991	5.7
87.00890	1.9
87.04565	1.3
88.98808	31.3
89.02479	5.7
92.10133	2.5
93.03485	5.6
96.96030	2.7
101.02455	2.6
105.01920	1.6
109.02976	2.7
111.04520	1.4
113.01261	1.3
113.02444	3.2
115.00354	12.1
116.92917	5.1
119.03495	1.3
119.05006	2.8
121.02982	15.5
130.08856	1.6
133.01445	2.5
135.03015	3.3
135.04529	2.5
135.11824	23.4
137.02498	1.7
137.06117	1.5
144.31227	1.4
145.02969	3.2
149.06087	6.1
161.02443	1.4
161.04501	1.3
161.09727	2.8
163.04065	1.4
173.04565	6.9
179.03685	1.5
179.10797	100.0
181.07219	6.5
191.05621	12.4
222.58217	1.3
223.09796	17.8
241.01506	13.8
242.02319	1.8
245.00992	1.6
270.01752	7.2
271.02625	2.5
298.01221	1.7
305.09009	1.7
387.16708	80.1
444.66223	1.3
503.08365	8.6
503.17023	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	503.157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45095	0.9
59.01389	24.7
60.05866	0.9
60.40704	0.9
60.99323	2.4
61.98856	1.5
63.32044	1.0
66.86672	1.1
67.58291	1.1
69.03469	1.8
71.01389	11.6
72.99304	1.7
73.02965	2.5
75.85544	1.0
81.03476	1.4
83.01407	1.1
85.02975	8.3
88.98826	16.4
89.02461	2.5
93.03472	4.5
95.01416	2.1
99.00857	1.5
101.02465	6.6
103.00371	1.7
106.04285	2.5
108.02192	88.7
109.02964	48.8
113.02453	4.6
116.92880	5.9
119.04967	1.0
121.02961	10.3
123.00868	2.1
135.04491	1.4
137.02519	1.2
149.00684	7.0
152.01170	100.0
153.01959	18.8
156.26077	1.1
161.09720	15.1
173.04515	2.1
191.05643	6.2
192.99704	2.6
205.08728	18.9
315.07385	16.3
349.13010	5.4
358.76929	1.3
389.24420	1.5
459.16959	2.5
463.21991	1.3
503.15683	97.1
503.33841	5.8
504.16321	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82696	1.3
59.01387	23.3
60.99328	1.8
61.98826	1.5
70.63914	1.3
71.01383	27.0
72.99334	1.4
73.02956	6.6
75.00877	2.9
76.21675	1.5
85.02968	5.8
87.00885	1.9
87.03492	1.3
88.98807	18.1
89.02458	6.9
93.03465	3.2
96.96016	8.2
101.02447	6.9
106.59540	1.4
109.03007	2.2
113.02456	1.7
115.00390	14.1
116.92867	17.8
119.05049	1.9
121.02957	8.0
133.01396	1.8
135.02972	5.2
135.04597	4.2
135.11809	20.6
161.04559	1.3
161.09720	2.2
173.04518	5.3
173.06209	1.5
177.04176	1.5
179.10802	100.0
181.07185	7.1
191.05621	13.4
200.90382	1.5
214.21381	1.5
215.40628	1.6
223.09807	19.4
253.80981	1.5
343.17654	5.5
387.16690	50.4
431.70322	1.4
470.15430	1.5
503.18106	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	503.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.8
59.01395	4.4
59.01648	0.6
63.17052	0.4
65.53143	0.5
66.95056	0.4
71.01392	3.6
72.99313	0.6
75.00871	6.5
78.95903	3.9
79.95747	1.8
85.02972	2.6
87.00887	2.5
89.02490	0.8
93.03474	1.0
94.73629	0.5
96.96012	100.0
96.96908	6.7
99.00871	2.0
101.02445	0.9
113.02473	0.8
119.04248	0.9
119.05032	17.3
121.02943	2.4
129.01968	1.1
133.02966	0.8
134.03770	0.9
135.04520	4.3
137.02438	0.6
145.02954	2.5
156.24538	0.6
161.02449	2.0
161.05894	0.5
163.04022	11.3
165.01918	0.9
177.04080	7.7
179.03453	4.2
182.33212	0.6
191.05684	4.1
193.05013	0.9
195.05080	1.0
201.87508	0.6
205.05046	0.7
209.46736	0.6
229.30339	0.5
243.06439	0.5
323.07739	2.5
341.08771	1.1
401.40631	0.5
467.12473	0.7
503.14172	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	503.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33129	0.5
54.76100	0.5
55.44875	0.5
59.01397	54.0
69.45686	0.5
71.01382	4.9
71.32816	0.6
72.99321	6.6
73.02985	0.8
75.08526	0.6
77.16283	0.5
78.21921	0.6
80.64064	0.5
85.02977	3.1
85.80921	0.6
87.00916	1.2
88.98875	0.9
89.02468	3.5
93.03484	2.4
96.96043	3.8
101.02485	2.4
111.04572	0.7
113.02485	0.9
115.00302	0.8
116.40174	0.6
116.92862	4.7
119.05034	9.1
121.02966	5.5
125.02451	0.7
135.04562	2.9
138.01888	0.6
147.04543	100.0
149.50485	0.6
151.04063	2.8
161.85475	0.5
162.47903	0.6
163.03996	1.0
165.05588	83.7
173.04678	0.7
176.24342	0.6
179.03560	0.7
179.10822	2.4
191.05659	6.7
207.06676	34.9
260.66943	0.7
387.16565	1.1
389.26599	0.6
443.22931	1.5
466.60257	1.0
478.98944	0.7
498.69659	0.7
500.83240	0.7
503.17776	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	503.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
60.99308	0.3
61.86477	0.2
61.98836	100.0
62.56646	0.2
71.01386	0.5
72.14127	0.2
73.69099	0.2
83.05037	0.3
85.02955	0.5
89.02488	0.3
89.33482	0.2
93.03458	0.5
96.76931	0.2
96.96020	0.4
97.02962	0.2
98.12652	0.2
108.02218	0.4
111.28781	0.2
117.03468	0.3
121.02959	2.7
135.04561	1.6
137.02469	0.3
145.02992	1.9
148.64751	0.2
149.00679	1.0
153.05537	0.2
160.08923	0.6
161.02432	0.3
163.03964	0.3
173.04533	1.1
175.11256	1.4
175.22662	0.2
191.05635	1.5
192.99698	0.6
219.10309	1.1
246.65282	0.3
440.13422	0.5
446.65674	0.3
485.32806	1.4
503.19269	1.3
503.33923	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30177	0.5
53.88615	0.4
59.01386	52.3
59.29620	0.5
67.28438	0.5
71.01384	4.4
72.99303	7.1
72.99636	0.4
73.02946	0.8
75.00891	1.1
79.34061	0.4
85.02960	2.5
85.91073	0.5
87.00932	0.7
88.98845	1.2
89.02453	1.2
90.71653	0.5
93.03471	2.5
96.96009	5.3
101.02457	0.9
109.03026	0.7
113.02464	0.8
113.99557	1.0
115.00378	0.9
116.92876	6.7
119.05016	9.8
121.02973	3.2
131.79794	0.5
135.03149	0.6
135.04570	1.1
135.11787	0.7
140.56161	0.5
147.04539	100.0
165.05579	84.2
165.07021	1.3
173.04572	0.7
179.05592	0.7
179.10806	5.8
181.07314	0.6
191.05675	4.0
192.06021	0.7
207.06667	33.1
223.09764	0.8
387.16626	0.8
396.93591	0.6
481.92194	0.7
503.17847	7.8
527.99603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14377	0.2
50.79816	0.2
59.01380	1.7
65.39132	0.2
69.31942	0.2
69.50858	0.2
71.01395	1.2
73.02940	0.5
78.95905	13.8
79.95728	1.7
85.02956	0.3
85.33146	0.2
87.87305	0.2
89.02467	1.0
96.96014	100.0
96.96934	21.4
101.02454	0.3
112.51797	0.2
113.02416	0.2
117.05563	1.1
119.05013	0.9
122.02489	0.4
163.03955	0.3
177.01953	0.4
177.38712	0.3
181.07201	0.3
191.05624	0.4
192.04375	0.3
268.43350	0.2
286.83334	0.3
307.86932	0.2
312.54941	0.2
325.11319	0.9
330.42484	0.2
362.92667	0.2
399.15088	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68775	0.7
53.22986	0.7
53.35516	0.6
59.01396	1.0
59.31482	0.6
61.52643	0.8
61.98836	100.0
70.65346	0.7
83.52147	0.8
86.54872	0.8
92.10121	1.0
97.97990	0.9
103.34071	0.8
134.17705	0.9
206.27597	1.0
218.36777	0.9
219.31494	0.9
277.21674	1.0
278.22009	3.4
334.37857	1.0
478.98901	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.5
61.98817	0.3
64.04512	0.2
70.48481	0.2
71.01385	0.3
73.02959	0.2
85.02468	0.2
85.02952	0.3
92.65191	0.2
93.03469	0.8
96.95998	0.3
99.95657	0.2
102.15642	0.2
108.04566	0.4
119.05045	0.2
120.00335	0.2
121.01189	1.4
121.02989	2.4
137.02454	0.2
147.99907	3.7
148.58017	0.2
149.00681	100.0
150.01030	0.4
161.02396	0.2
173.04526	0.3
179.10789	0.2
181.16299	0.2
191.05679	0.3
192.99669	70.9
236.98662	24.7
251.01744	3.1
253.03389	1.3
270.01910	0.2
293.04956	0.8
297.02353	4.9
401.93250	0.2
415.08585	0.2
459.07858	1.3
503.06668	2.5
503.17508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45308	1.5
50.59373	1.7
59.01416	4.0
61.98840	2.6
62.03378	2.0
72.64973	2.1
92.66532	2.4
97.06606	2.3
110.36180	2.1
123.50690	2.3
137.70593	2.0
145.39168	2.2
178.87747	2.3
212.43129	2.3
275.56116	2.3
284.68790	2.1
389.28873	3.5
421.31314	7.7
423.32584	11.9
469.33344	100.0
471.31384	4.4
501.32077	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
64.34615	0.8
85.61179	0.8
115.21336	0.9
124.04389	0.9
152.38879	0.9
177.74121	0.9
210.10435	0.9
216.38931	1.0
394.57312	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01392	20.2
61.98858	2.9
62.71740	1.1
70.27615	1.3
71.01415	1.7
77.89461	1.2
90.75753	1.2
93.03445	2.3
97.30491	1.3
107.55923	1.2
121.02969	7.8
135.04538	1.6
137.02524	2.0
137.75308	1.2
183.06490	1.2
191.05635	6.2
192.68716	1.3
328.64395	1.6
389.28510	1.7
391.30157	2.8
453.30786	1.7
455.31836	15.9
457.33456	4.7
471.31039	8.1
501.32330	100.0
527.63794	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	501.323
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
59.01389	5.4
85.13846	1.3
110.19864	1.3
114.84721	1.3
168.85391	1.6
421.31168	1.5
427.73328	1.5
501.32330	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	501.323
Annotation	CHEBI:67909
Peak:m/z	Relative Intensity
54.60055	0.7
59.01397	1.0
59.51160	0.6
71.37928	0.6
73.86551	0.7
82.09515	0.7
85.69949	0.7
87.04514	0.9
131.15602	0.7
146.06224	0.7
203.89308	0.8
220.51114	0.9
296.88272	0.8
405.27948	1.6
408.33939	0.8
421.31134	8.7
425.30585	1.2
471.26114	1.1
471.31213	51.4
483.31299	5.4
501.32297	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	501.323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.3
59.60298	0.2
60.81026	0.2
64.34819	0.3
67.42486	0.2
73.02966	1.4
75.81862	0.2
82.43177	0.2
85.22019	0.2
88.46649	0.2
92.66009	0.3
112.39406	0.3
113.25233	0.3
114.75040	0.3
135.08165	1.1
149.09677	0.4
307.24310	1.4
347.27649	1.2
371.27713	0.4
372.24698	1.4
373.25461	1.8
387.26965	1.5
389.28586	7.8
405.28110	2.7
407.29379	0.4
427.28839	1.0
455.31589	0.4
501.32336	100.0
502.32681	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3228
Annotation	CHEBI:69363
Peak:m/z	Relative Intensity
51.13864	0.4
51.95802	0.4
54.83102	0.5
60.73507	0.5
61.90233	0.5
67.22768	0.4
70.31419	0.4
73.00787	0.5
74.36024	0.4
78.46751	0.5
81.93865	0.4
83.84426	0.4
148.43614	0.5
148.84007	0.5
176.88405	0.4
304.86810	0.5
377.28519	1.2
407.29544	0.6
431.65839	0.6
453.30182	86.7
454.30640	0.9
471.31287	5.2
501.32318	100.0
502.32611	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	501.1773
Annotation	Limonexic acid
Peak:m/z	Relative Intensity
55.01886	0.7
57.03456	2.0
59.01388	40.4
61.98836	3.2
68.99815	1.2
71.01385	16.0
73.02948	6.7
80.20800	0.7
83.01394	5.3
85.02954	9.5
85.78770	0.8
87.00880	1.0
89.02438	1.0
90.71220	0.7
93.03470	3.3
95.01389	1.0
99.00887	3.2
101.02452	14.7
106.04250	4.1
110.20366	0.8
113.02424	5.5
116.92803	0.8
121.02957	10.2
123.00877	0.9
137.02484	1.0
149.02408	1.0
161.04510	0.9
161.09732	41.7
163.07686	6.1
189.09158	1.4
191.05621	3.8
196.53362	1.1
203.52565	0.8
205.08739	46.7
313.09476	1.0
349.13358	1.3
457.18793	100.0
458.18790	1.2
463.18408	0.8
465.22394	0.9
501.17706	7.7
501.32816	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31680	0.6
57.03449	0.9
59.01387	100.0
61.98833	1.0
65.42091	0.7
68.21231	0.7
70.69500	0.8
71.01379	15.0
73.02953	4.5
78.77484	0.8
82.95435	3.9
83.01398	1.3
84.95133	7.3
85.02946	7.6
87.00879	1.2
88.98801	0.8
89.02447	8.5
93.03467	3.2
97.02995	0.8
99.00887	1.7
101.02431	8.4
103.00370	11.4
106.04241	1.3
107.30780	0.7
109.02992	1.5
113.02454	7.2
119.03510	1.8
119.05061	0.9
121.02941	6.5
123.00835	0.8
125.02499	0.9
131.03532	0.9
134.09749	0.8
135.11885	0.9
145.20589	0.8
146.12749	0.8
147.08189	1.0
151.06113	4.5
153.15381	0.8
155.76595	0.7
161.04517	3.5
161.09729	21.1
163.07684	0.9
173.04613	1.0
177.01912	1.0
179.10791	4.2
189.01944	0.9
191.05606	3.4
203.10818	1.2
205.08730	34.0
247.09734	7.4
307.11856	3.6
353.19797	3.7
465.11618	0.9
484.53946	0.8
501.19888	42.9
501.27371	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52852	0.5
58.90746	0.5
59.01144	0.4
59.01388	4.1
60.91196	0.5
68.98823	0.5
71.01381	0.6
73.02944	0.8
84.41009	0.5
96.64310	0.6
132.88815	0.5
132.90060	0.6
198.62735	0.5
255.17432	0.5
321.20987	0.8
357.21817	0.6
377.24844	2.1
389.28421	3.6
391.25937	0.8
391.30402	0.8
393.27740	1.2
407.29877	9.1
409.31213	2.2
437.30627	8.0
455.31778	60.0
456.32123	0.7
457.33093	1.3
471.30997	2.6
501.32343	100.0
502.32544	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.5
60.99312	0.8
61.98845	0.2
71.01385	2.1
73.02939	0.4
80.88873	0.2
82.95429	0.3
83.01389	0.2
83.19356	0.2
85.02953	0.8
88.98810	4.7
89.02459	0.8
89.03944	0.2
92.10159	0.3
93.03461	0.7
95.01412	0.2
101.02460	1.2
109.60715	0.2
112.45969	0.2
113.02466	0.9
117.03471	34.8
119.05032	9.3
119.05916	0.3
121.02956	1.0
131.05017	0.2
132.02194	2.3
132.05798	0.2
133.02979	1.0
133.06598	1.0
134.03749	7.5
135.04491	0.7
137.02423	0.4
145.02968	100.0
146.03305	0.4
147.04565	1.0
148.05312	0.3
149.06096	1.5
158.03738	0.4
159.04512	1.3
160.01668	12.4
161.02399	0.8
161.06097	1.7
163.04016	7.6
173.04530	0.7
174.03159	0.2
175.04021	13.7
176.04787	2.5
177.02037	0.3
177.05522	0.3
178.02737	1.0
179.03513	0.3
183.13803	0.2
187.04015	2.9
191.05568	0.7
191.07196	2.2
192.04256	0.3
193.05070	6.2
205.05049	0.7
207.06664	0.7
217.05070	1.0
220.03926	0.3
235.06143	3.1
257.24231	0.2
265.07205	1.9
295.08173	1.5
307.08249	1.8
323.07904	0.8
329.23959	0.2
329.41714	0.2
337.09369	9.3
355.10272	0.7
397.17139	0.2
415.23477	0.2
441.11935	0.2
501.14020	6.1
504.57919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.5
59.01394	4.2
67.01904	1.9
68.99567	0.6
69.03455	0.4
69.70599	0.4
71.01379	3.3
72.99294	0.4
73.02960	0.6
81.03481	0.7
83.05038	0.6
85.02954	13.9
87.00885	5.3
89.02453	0.5
93.03453	19.9
96.96013	4.7
98.95606	2.4
99.00887	0.5
101.02434	1.3
109.02983	2.2
111.04514	3.1
115.00374	0.5
119.05015	6.4
121.02962	2.0
123.04504	0.6
127.04036	3.2
131.05042	2.2
133.02954	1.7
133.06573	0.7
135.04495	0.5
137.02470	3.6
138.41687	0.4
143.05028	7.8
145.02980	1.5
163.04021	3.4
171.03094	0.7
171.04620	0.6
173.04541	5.0
191.05634	100.0
192.06046	0.4
193.04985	0.6
211.07674	2.7
235.07677	1.5
237.09254	2.4
239.10733	0.7
265.08713	8.5
289.06082	0.4
309.07742	3.3
327.08804	19.1
327.12802	0.7
479.08682	0.5
493.37021	0.4
501.14160	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	501.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.9
59.01395	3.4
62.31202	0.6
67.01912	3.2
68.99596	4.6
69.48325	0.7
71.01390	4.4
85.02967	13.7
87.00889	6.9
93.03464	36.7
95.47610	0.7
96.96049	1.5
96.99340	3.1
99.00913	0.9
99.04505	0.9
100.90318	0.6
109.02939	0.7
111.04559	3.7
112.98583	4.7
113.55272	0.7
117.03505	1.2
119.05041	21.6
127.04021	4.0
131.05022	3.0
133.02931	3.3
137.02530	0.8
143.05052	12.7
145.02965	0.9
160.26161	0.9
163.03995	8.3
171.04530	0.9
173.04567	9.2
191.05644	100.0
211.07681	6.7
221.09810	1.4
223.07649	1.6
235.07642	1.7
237.09180	5.9
265.08749	16.8
309.07724	4.8
314.31223	1.0
316.37643	0.7
327.08798	60.2
457.14999	1.5
501.14050	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	501.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
64.31181	0.7
70.23183	0.9
73.45175	0.9
77.27237	1.0
92.10105	3.0
132.98247	1.2
137.71779	0.9
149.19576	1.1
156.99944	4.7
157.03577	2.1
159.01523	4.3
173.95200	0.9
174.99255	29.2
201.02582	33.7
214.30783	0.9
215.04234	1.3
217.00327	89.7
226.78542	0.9
276.98068	1.2
296.49991	1.1
324.88196	1.1
343.03790	1.6
359.01541	40.3
387.95868	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3435
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
58.04062	1.0
59.01385	2.0
76.48047	1.1
83.91924	0.9
90.17957	1.0
453.33618	12.9
453.38431	1.0
454.33295	1.2
499.34406	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	499.344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75496	1.0
57.52879	1.0
59.01400	1.7
61.98850	1.3
68.63947	0.9
80.49911	0.9
90.69418	0.9
92.10804	3.0
95.59494	1.1
104.47659	0.9
104.72641	0.9
107.19537	1.0
162.77005	1.1
208.42593	1.3
243.55548	1.3
453.33887	10.5
499.34430	100.0
500.34940	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	500.157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03494	1.1
59.01393	11.4
61.76197	1.0
61.98845	18.0
71.01392	8.7
73.02966	2.1
76.58217	1.2
85.02982	2.2
91.01846	1.2
92.10870	1.8
93.03475	1.9
96.95964	2.0
99.24649	1.1
101.02460	5.2
104.82425	1.1
104.83193	1.3
113.02483	4.8
119.01402	6.6
119.05093	1.4
121.02982	6.4
122.03245	1.2
135.04521	2.1
146.17285	1.2
147.00922	5.7
149.02452	15.2
154.01468	1.5
161.04604	2.3
163.04042	1.1
163.28922	1.1
164.04816	14.1
165.01981	1.8
175.00391	47.6
177.97319	1.0
190.02750	100.0
191.05690	4.3
205.05096	79.1
223.06160	11.8
226.31255	1.1
348.24344	1.3
367.10400	9.0
500.15723	41.9
500.23022	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	499.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03460	2.3
58.00602	1.7
59.01388	100.0
60.99326	1.7
61.98842	2.1
65.59059	1.8
71.01381	62.6
72.99317	6.9
73.02946	14.3
76.58054	1.7
78.11522	1.5
83.01385	3.4
85.02950	16.9
87.00893	8.3
88.98824	13.0
89.02443	73.1
90.06042	1.7
92.10172	3.6
93.03444	19.1
95.01407	7.0
96.75256	1.7
96.96011	32.8
99.00908	4.0
101.02443	50.4
113.02455	29.8
116.92867	3.4
119.03490	30.2
119.04971	5.8
125.02451	3.8
131.03513	7.7
137.02454	10.1
143.03499	8.9
149.04668	2.5
161.04601	15.6
161.54483	1.7
163.06374	7.5
164.07176	11.4
173.04594	3.2
179.05630	51.7
181.07253	2.1
191.05649	10.3
206.06323	1.5
221.06712	18.3
326.12415	2.4
341.11127	1.9
357.25711	1.8
392.26071	1.9
439.18365	25.5
499.14838	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3074
Annotation	SCHEMBL17372672
Peak:m/z	Relative Intensity
58.84405	0.4
61.98845	3.7
81.33548	0.4
85.66460	0.5
92.10673	0.6
96.63412	0.4
106.09009	0.4
129.08324	0.5
169.15344	0.4
240.63458	0.5
259.14792	0.4
351.23682	0.4
389.28519	0.9
391.26633	0.6
405.27863	0.7
406.28714	0.5
451.28616	73.7
452.28741	0.6
469.29608	4.7
480.76852	0.5
499.30759	100.0
500.30878	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	499.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.8
59.01385	100.0
60.53112	1.6
71.01383	57.4
72.99315	1.7
73.02934	14.4
78.49706	1.5
83.01389	3.1
84.97892	1.5
85.02957	17.2
87.00881	12.3
88.98790	14.7
89.02444	78.5
93.03467	20.4
95.01391	3.3
95.53170	1.6
96.95998	23.4
99.00848	2.7
101.02440	61.5
110.88284	1.5
113.02461	27.4
116.92937	3.0
119.03512	31.2
119.05048	7.4
125.02394	2.2
131.03508	9.1
134.06227	1.7
136.07672	3.0
137.02452	8.1
143.03543	6.7
147.08025	1.7
149.04663	3.1
161.04601	15.0
163.06384	8.0
164.07179	11.7
169.58205	1.6
173.04559	7.3
179.05632	63.3
181.07169	3.5
191.05682	6.5
220.09682	2.2
221.06709	18.3
257.12897	2.0
271.11057	1.9
277.12845	2.1
286.06860	1.5
301.12143	1.9
326.08884	1.7
326.12439	3.2
341.10883	2.1
439.18225	31.5
499.14807	9.7
517.87714	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	1.2
57.77269	0.7
59.01389	30.5
59.66816	0.6
61.98839	0.8
68.99590	1.6
69.03451	0.9
71.01392	15.5
73.02979	3.3
78.95910	1.4
82.95435	2.9
85.02969	7.7
87.00899	3.0
89.02451	3.8
92.91863	0.8
93.03467	5.6
96.47368	0.7
96.96008	6.2
98.95616	0.9
99.00854	0.8
100.89951	0.7
101.02451	5.0
108.02217	2.9
109.02959	4.1
111.04509	1.1
112.68355	0.7
113.02435	3.0
115.00374	11.9
115.92110	0.7
116.92878	4.2
119.05041	1.0
121.02995	5.5
123.04546	0.9
125.02480	1.0
133.01418	11.3
133.06619	1.2
134.03729	0.8
135.04532	100.0
136.04880	0.9
137.02477	5.6
151.00336	0.8
152.01158	1.2
153.01929	1.5
161.04642	0.9
161.13293	0.9
163.04152	1.0
173.04555	3.1
187.07649	1.0
191.05638	31.2
202.06332	0.9
205.08719	0.8
207.10229	0.9
208.01581	0.8
209.11906	7.0
223.13467	14.8
227.12894	1.0
230.81477	0.7
253.09245	1.3
260.83945	0.9
267.12421	16.3
267.19318	0.8
292.40292	0.8
300.02838	1.4
383.13522	1.5
383.49622	0.8
386.15256	0.8
439.22086	1.7
463.12698	7.7
463.22070	6.8
481.17230	1.3
499.19452	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	499.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	3.6
57.16510	3.4
59.01395	39.6
67.64256	3.6
71.01389	28.2
71.52425	3.5
73.02943	4.0
75.00877	3.4
78.95911	4.3
85.02972	19.1
87.00896	17.2
88.98790	3.9
89.02447	13.9
93.03458	7.6
96.96018	100.0
99.00904	4.3
101.02473	15.1
113.02454	4.9
116.80484	3.8
117.45479	3.5
119.03513	4.1
121.02984	5.4
122.06110	20.7
133.02968	16.9
134.06122	14.7
136.07684	19.7
149.04797	6.8
161.04762	4.0
162.89366	4.9
164.07199	30.5
165.01738	4.0
173.04570	4.0
175.40417	3.9
177.10361	5.9
179.03485	5.2
180.09979	3.7
189.06712	4.9
191.05634	46.7
201.10347	20.0
211.08861	5.3
219.11414	21.8
220.09853	23.8
223.47969	4.6
225.10426	3.3
227.08217	8.6
229.09830	24.5
241.09853	7.1
242.10684	5.7
243.11317	17.0
245.09138	5.8
247.10954	6.9
253.09821	17.1
255.11458	6.0
257.09348	6.5
259.10876	6.3
270.10138	8.3
271.10941	57.7
273.08893	3.6
277.12030	33.6
283.10910	23.7
300.11230	15.8
301.11996	59.2
319.12985	6.4
351.07285	5.6
382.15338	4.6
433.16406	14.2
463.17126	40.7
481.18341	39.7
499.19507	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61122	0.3
53.30276	0.3
54.82972	0.3
57.03463	0.4
59.01392	5.3
67.01924	0.4
69.03475	0.4
70.66122	0.3
71.01396	4.3
73.02956	1.3
74.33089	0.4
78.32358	0.3
78.95911	0.7
79.95773	0.6
81.03440	0.7
82.95443	1.7
83.01418	0.7
83.05034	0.6
84.95150	0.4
85.02969	13.9
85.03467	0.5
87.00893	4.6
89.02483	0.6
92.10113	0.6
93.03472	6.3
95.01357	0.5
96.96018	5.1
96.97002	0.6
98.95607	3.5
99.00867	0.6
99.04534	0.7
101.02430	0.6
107.01397	0.8
108.02193	26.7
109.02970	17.5
111.04549	2.3
113.02477	0.8
113.86568	0.4
116.92896	0.5
119.05060	0.5
121.02956	4.0
122.86832	0.4
125.02447	0.4
127.04042	3.3
134.03755	2.9
135.00948	0.6
135.04514	7.4
137.02477	1.5
151.00385	4.0
152.01178	22.3
153.01936	5.3
159.03032	0.8
161.02393	0.4
163.00386	0.6
163.04027	0.6
171.02939	0.6
171.10281	0.4
173.04572	3.7
175.03981	0.6
178.99915	1.6
187.04059	3.0
187.07678	2.2
191.05650	100.0
192.05867	0.8
194.46194	0.3
201.11359	4.1
202.06435	4.3
211.04051	0.3
215.07228	0.5
226.02800	0.4
227.03450	0.7
243.03043	3.6
245.04619	0.5
254.02122	0.5
255.03052	8.0
257.04584	1.5
263.13000	0.5
271.02548	18.3
272.02933	0.6
290.95758	0.4
300.02820	29.6
301.03555	13.0
307.05627	0.4
307.11926	0.8
379.11130	0.4
463.02481	0.8
463.08951	21.9
464.09161	0.7
464.43500	0.4
481.17261	2.0
499.09894	2.3
499.18365	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	499.1466
Annotation	kn-93
Peak:m/z	Relative Intensity
54.82688	1.8
57.03465	2.1
59.01387	25.9
61.98842	3.5
67.01608	1.5
67.01922	9.3
69.03471	3.3
71.01395	13.5
72.99345	1.3
73.02972	1.7
75.00874	6.0
81.03459	2.3
83.05056	1.5
85.02979	9.5
87.00900	15.8
89.02459	3.2
93.03466	68.5
96.96021	16.3
99.00925	1.8
99.54361	1.3
101.02466	7.6
109.02969	2.6
111.04548	12.6
111.08192	9.4
113.02438	2.0
119.05032	48.8
120.01009	1.6
121.02972	7.2
126.45360	1.4
130.08827	1.6
135.04521	2.2
137.02448	1.9
145.02983	17.2
148.73837	1.8
155.03551	1.8
163.04047	30.0
173.04564	18.7
173.08214	8.6
177.04045	3.0
187.09737	1.8
189.05618	3.5
191.05643	100.0
199.56827	1.8
220.09683	1.9
321.15756	2.4
337.09122	6.3
499.14581	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49661	0.8
55.01889	0.9
57.03459	1.1
58.00595	1.4
59.01384	30.9
60.99313	6.1
61.98847	1.1
63.77648	0.9
67.01891	12.6
68.91913	0.8
69.03462	8.1
71.01384	25.3
71.93647	1.0
73.02940	4.6
75.01386	0.7
75.95148	0.9
78.95914	1.5
81.03482	1.5
83.05003	1.3
85.02958	6.4
87.00880	20.1
88.98801	4.1
89.02444	24.9
93.03456	100.0
95.01388	1.8
96.96011	11.2
96.96946	1.7
99.04507	1.6
101.02435	19.4
111.04523	13.2
112.01182	0.9
113.02467	9.4
114.38371	1.0
115.04053	1.3
116.92863	1.4
119.03555	8.6
119.05029	29.2
129.01918	2.1
131.03525	1.1
135.04509	1.4
136.07677	1.2
137.02426	4.7
139.76207	1.0
143.03491	1.2
155.03394	1.3
161.04579	6.3
163.04019	14.2
163.06316	1.4
164.03549	1.3
164.07051	1.0
173.04550	32.2
179.05630	17.0
179.69601	1.0
190.39696	1.1
191.05624	13.5
221.06664	5.7
330.07697	1.0
337.09409	1.8
354.03967	1.0
370.58673	1.0
372.23730	1.2
423.85248	1.1
439.18256	6.4
499.14648	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65567	3.0
54.82706	2.9
55.01905	4.5
57.03469	6.0
59.01394	99.5
61.73370	3.0
61.98857	24.0
69.03492	3.5
69.66776	3.3
71.01393	89.8
72.99324	4.3
73.02975	20.5
77.37553	2.5
82.95423	6.4
83.01411	17.5
85.02967	66.6
87.00918	12.9
88.98848	3.9
89.02438	40.2
90.01955	3.1
93.03500	14.3
95.01379	6.4
96.96008	21.2
97.02977	7.2
99.00865	24.8
101.02459	56.2
101.65814	3.2
102.60658	2.8
108.02246	4.1
109.03052	10.7
113.02451	69.5
115.00340	3.1
119.03539	16.0
119.05054	6.1
121.02962	29.1
125.02515	5.8
131.03787	20.8
135.04512	15.5
137.02478	4.5
143.03529	12.5
152.01178	7.1
153.01903	4.9
159.03079	4.5
161.02461	3.5
161.04564	51.6
179.05571	6.3
188.05646	3.2
191.05641	32.9
222.81560	3.2
223.13480	4.2
231.06715	5.2
247.08151	4.2
267.12338	6.2
298.82690	2.9
305.08923	4.3
323.09927	55.5
351.15009	3.1
410.60590	3.3
438.14212	15.3
456.15298	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	499.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.6
61.98843	0.2
65.00335	4.9
70.19546	0.2
71.01389	0.3
79.23295	0.2
89.00357	1.1
89.02464	0.2
91.01914	1.2
92.10205	0.2
97.02945	4.6
109.02956	2.7
121.02951	3.4
134.03728	2.1
135.04536	100.0
136.04849	0.4
148.24785	0.2
149.99582	1.9
161.02490	1.4
165.01944	50.4
183.03032	0.6
210.01627	0.3
277.84018	0.2
283.06287	0.2
297.10092	0.2
300.06396	0.4
301.07233	45.8
302.07596	0.8
325.09570	0.2
443.48972	0.3
463.12595	28.8
464.12933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84986	2.1
59.01381	3.5
72.83642	2.3
93.03458	10.0
106.04239	2.7
115.08803	2.7
119.05026	5.8
134.06114	19.1
136.07666	12.6
141.06728	74.2
155.08252	4.6
163.03970	3.4
164.14420	6.0
180.06673	4.5
207.14931	3.2
222.10135	2.6
225.22232	2.7
247.51634	3.1
269.21246	3.1
287.75153	2.4
470.26715	100.0
497.28226	11.4
511.20178	2.9
513.91296	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	497.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66852	61.4
80.53341	58.0
105.65198	81.8
175.07625	100.0
218.31497	68.1
364.03613	77.3
384.20209	83.4
461.36780	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94913	1.1
58.00631	1.3
58.93642	1.2
59.01386	82.8
61.98830	11.5
62.28532	1.0
62.50826	1.1
63.26157	1.1
65.36668	1.1
66.43468	1.0
69.03479	5.3
71.01384	76.7
72.99335	1.8
73.02945	13.5
75.00890	2.5
77.95066	1.1
78.40669	1.0
78.91895	15.4
78.95901	1.4
80.91707	2.2
81.03469	2.6
82.46751	1.3
82.95425	1.8
83.01405	6.4
85.02931	9.0
88.17998	1.2
89.02444	100.0
93.03487	5.8
96.96029	7.8
97.02953	11.1
99.00874	19.4
101.02448	25.4
108.02201	1.6
109.02975	5.3
113.02472	7.1
115.04021	6.9
119.05034	38.6
121.02969	19.6
122.03290	2.4
123.00852	1.3
125.02461	36.8
131.03511	9.8
133.03014	1.8
135.04539	6.6
136.63939	1.1
137.02527	1.7
143.03506	3.0
143.10797	59.9
147.92322	1.1
149.04559	28.2
151.04022	9.1
152.01115	1.5
155.10815	1.5
157.12292	1.6
160.01781	1.4
161.04404	1.3
163.04010	19.9
173.04442	1.8
174.20114	1.3
185.11852	5.4
191.05605	14.2
199.09616	1.5
215.12904	2.6
233.06670	15.7
275.07721	1.4
293.08844	67.9
497.17072	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	497.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73956	1.0
55.01893	6.4
57.03450	5.1
59.01387	55.8
61.91413	0.9
61.98843	7.0
65.20837	1.1
69.03460	1.3
69.63927	1.1
71.01387	60.1
72.99323	2.0
73.02952	21.2
75.00887	2.6
78.95931	1.6
79.95751	1.4
83.01393	14.9
85.02955	39.6
87.00899	6.9
88.98817	7.9
89.02452	13.3
93.03489	6.5
95.01411	6.3
96.96011	49.5
96.96955	2.5
97.02921	2.5
99.00886	10.4
101.02446	63.0
108.02197	14.4
109.02964	15.9
113.02454	24.9
119.03519	2.5
119.04989	1.5
121.02975	6.4
122.03304	1.3
125.02436	4.8
127.03982	1.2
129.01949	2.0
129.05583	1.2
135.03018	1.7
135.04494	2.0
137.02425	1.2
142.16763	1.0
143.03543	2.0
145.03023	1.3
151.00410	1.3
152.01158	15.3
153.01913	4.9
159.03015	4.2
161.04573	18.2
173.04538	1.8
177.04092	1.6
181.04918	1.2
181.16501	1.0
191.05606	22.9
195.05084	1.8
200.04704	1.7
209.04546	1.7
209.24359	1.1
275.15070	22.4
419.16272	1.7
437.20343	100.0
479.16269	1.3
497.16446	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37309	1.2
55.33173	1.2
57.76775	1.2
59.01382	5.3
60.76852	1.1
61.98824	1.9
62.13449	1.1
68.19569	1.1
71.01383	4.9
73.02975	2.2
76.17448	1.2
81.03468	1.7
85.02970	2.4
91.38211	1.2
92.10748	2.3
95.01368	1.6
101.02509	1.4
101.84018	1.2
108.02187	72.1
109.02962	54.6
117.03460	1.4
132.56850	1.3
134.52544	1.2
137.09721	6.2
152.01173	87.6
153.01952	37.9
155.10802	31.0
166.09813	1.5
172.58087	1.3
175.92828	1.4
188.41060	1.3
199.09807	5.0
201.20370	1.4
210.73512	1.4
257.53973	1.4
317.22284	1.6
344.32452	1.3
435.24780	1.4
453.17490	5.7
497.16779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.0
57.03466	2.4
59.01388	55.6
60.99322	1.7
61.98845	1.0
67.01897	1.4
69.03448	1.1
71.01385	35.6
72.99307	34.7
73.02940	13.4
75.00873	14.3
78.95907	28.1
79.94498	1.2
83.01386	2.1
83.05058	1.1
85.02961	11.0
87.00885	5.8
88.98798	15.4
89.02447	33.6
90.99215	1.1
91.00375	4.2
93.03483	6.5
95.01423	1.2
96.96015	2.0
96.96948	16.8
97.02979	1.1
97.06611	3.9
99.00866	4.0
101.02441	20.6
107.05075	1.2
109.06602	12.5
111.08170	4.8
113.02451	13.8
116.92891	1.3
119.03538	10.0
119.05035	4.6
123.04531	1.4
127.07661	46.4
129.01952	4.2
131.03494	1.0
133.03056	1.1
134.03781	1.1
135.02997	4.3
135.04510	4.1
137.02486	7.2
137.95465	1.1
139.07669	1.8
141.09227	12.5
143.03484	1.2
151.07628	4.0
161.04607	2.1
163.04060	7.2
163.06120	5.9
169.08727	2.0
171.06650	9.8
177.01862	1.2
177.04100	8.8
179.05637	1.6
181.07196	14.2
191.05618	7.8
197.39005	1.0
200.40456	1.1
205.96001	1.1
288.64587	1.0
319.13837	1.6
343.12555	8.8
394.68094	1.1
497.11325	8.2
497.18851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41281	0.4
59.01399	0.8
61.95515	0.4
69.26608	0.4
69.61726	0.3
71.01388	3.2
71.97691	0.4
73.02967	0.8
81.03463	0.7
85.02977	2.6
87.88144	0.4
93.03439	0.6
93.71114	0.4
95.01386	1.0
96.26431	0.4
101.02462	2.3
108.02187	100.0
108.37335	0.4
109.02972	29.3
111.01959	0.5
113.02489	0.6
117.67387	0.4
121.02959	0.8
133.02980	0.6
151.04033	2.3
152.01169	87.2
153.01956	27.8
161.04489	0.5
163.04037	1.7
165.01910	2.3
206.72009	0.6
225.04056	0.4
244.40521	0.4
315.07269	96.7
316.07709	0.5
334.93329	0.5
499.59808	0.5
511.71725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1674
Annotation	Globulusin B
Peak:m/z	Relative Intensity
59.01398	1.7
61.59389	0.6
69.03470	7.2
69.54677	0.6
71.01396	1.2
73.02980	0.8
73.38934	0.6
75.97532	0.6
78.91881	1.4
81.03471	0.9
83.01366	1.6
85.02946	0.8
87.63870	0.7
93.03474	1.4
95.01389	1.5
96.96029	3.8
97.02962	4.1
107.01385	1.4
108.02152	1.0
109.03020	1.4
113.47972	0.6
119.05061	1.2
121.02959	3.1
123.00887	9.8
124.01668	43.9
125.02451	91.6
133.02965	1.7
135.04486	3.0
137.02461	3.2
147.25912	0.8
149.99600	53.4
151.00374	4.2
151.04071	0.9
152.01164	0.7
163.04001	1.3
166.41689	0.7
167.03514	1.5
168.00656	85.9
169.01489	7.1
177.01852	0.9
221.80278	0.7
241.78908	0.8
254.91046	0.8
261.07675	3.1
313.05563	3.0
425.05493	0.7
497.16748	100.0
498.17441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.0
61.98841	100.0
64.55318	0.2
71.01402	0.8
75.00871	0.3
77.74464	0.2
78.95930	0.3
83.84137	0.2
85.02972	0.8
87.00911	0.4
89.02479	0.3
93.03449	0.8
96.95992	0.3
101.02477	0.2
108.02176	0.3
113.02436	0.3
114.72098	0.2
115.49026	0.2
119.05028	1.1
120.05386	0.2
121.02951	1.9
122.03751	17.9
122.89336	0.2
134.03748	0.2
135.04561	2.6
136.04874	0.9
137.06009	0.2
145.02957	0.3
146.03374	0.2
147.04543	0.4
149.06096	0.3
151.00389	0.2
152.01173	0.2
153.86041	0.2
164.07170	0.4
165.05518	0.9
173.04628	0.4
175.21976	0.2
177.05536	0.3
186.19986	0.2
191.05623	0.9
389.12595	3.1
433.11560	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	496.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01208	0.6
54.52603	0.6
59.01397	5.4
61.98839	8.5
78.95905	8.1
79.95750	2.9
93.03538	1.0
96.96014	100.0
96.96916	8.6
109.66471	0.7
121.02950	1.5
128.12279	0.8
346.09631	0.7
422.99881	0.8
456.01855	0.7
461.34924	0.9
474.12268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	39.1
61.98846	58.2
84.28438	36.1
113.55215	42.0
152.99588	92.4
245.04402	100.0
267.23257	84.6
303.37592	44.1
394.19943	41.1
495.27396	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58134	10.4
59.30756	10.9
61.98830	16.2
63.37783	10.3
64.14429	9.8
76.33041	11.4
78.95909	78.7
96.29333	13.7
99.16521	11.6
108.32771	12.6
152.99593	75.5
171.00610	12.7
245.04237	100.0
267.23190	46.0
432.69254	13.2
495.27304	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07803	73.4
51.40398	68.8
57.07125	78.9
59.41735	81.2
60.71098	73.8
73.89592	93.4
120.56057	85.9
136.98398	94.2
148.57848	100.0
166.51906	83.5
201.27310	96.5
277.59390	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17933	0.3
59.01392	1.4
60.99315	16.7
71.01392	0.6
76.56292	0.3
87.00886	0.5
88.98811	100.0
89.02451	3.0
93.03499	0.4
97.02949	2.2
122.48238	0.3
123.04503	0.4
127.07592	0.4
137.02473	0.4
155.10663	0.3
186.20467	0.3
189.05515	0.6
205.08740	0.5
229.08640	0.6
273.07736	6.6
281.69125	0.3
291.49142	0.4
297.08096	0.4
414.01288	0.3
466.60260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10298	0.4
53.46989	0.5
55.66655	0.4
57.25202	0.5
59.01395	100.0
61.98842	5.0
71.01406	1.0
93.03479	0.9
96.96024	0.9
106.06624	2.1
121.02965	16.9
125.13017	0.6
150.05623	1.1
163.04083	0.6
164.52492	0.5
173.04590	0.6
191.05589	0.6
205.68814	0.5
327.09268	0.6
334.85007	0.5
422.12671	0.6
495.24142	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20875	4.5
52.57198	4.8
59.01396	83.8
61.93612	5.6
61.98840	52.1
71.01389	48.6
71.90183	5.2
73.02967	6.2
74.04028	5.5
78.91893	13.2
85.02976	12.8
89.02477	13.6
93.03475	50.4
96.96026	97.1
99.00912	6.4
101.02457	9.5
108.02203	6.6
109.02959	7.9
113.02475	11.3
117.03517	6.6
119.05045	24.5
121.02947	64.1
126.39382	5.8
135.04552	8.6
137.02441	14.8
145.02980	41.2
149.04608	6.9
151.03981	6.7
152.01053	8.5
156.64372	6.4
157.73256	6.3
161.02429	6.8
165.09250	34.5
173.04585	100.0
191.05630	30.2
236.07607	8.0
236.54506	6.8
284.02988	9.7
285.03818	6.9
295.08246	30.7
435.22104	8.2
495.20035	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	2.6
60.99321	17.8
71.01390	0.8
73.02953	0.3
81.85446	0.4
85.02934	0.4
87.00887	1.4
88.00415	0.4
88.98813	100.0
89.02445	5.9
96.95997	0.4
99.64174	0.3
101.02450	0.4
121.02940	0.4
135.04527	0.5
139.35222	0.3
186.28940	0.3
299.68692	0.3
350.89478	0.3
442.55322	0.4
495.16986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17072	0.5
51.37280	0.6
54.82706	0.5
55.74748	0.5
57.03465	2.5
59.01387	12.0
60.99326	1.1
61.98849	2.8
62.70073	0.5
63.67586	0.5
67.01907	3.3
68.77688	0.6
71.01392	11.1
73.02948	6.6
81.03450	0.8
82.95434	4.2
83.01395	2.9
83.05042	0.9
85.02957	8.9
85.88105	0.6
87.04523	0.9
88.98819	3.3
89.02468	2.4
93.03461	20.0
95.04987	0.7
99.00889	2.4
101.02448	7.1
109.03002	1.2
111.04527	4.8
113.02460	4.2
119.05032	1.2
121.02970	22.7
122.03318	1.1
124.07668	0.7
133.03070	0.7
135.04553	1.5
135.08191	8.8
137.02486	4.3
137.08766	0.8
137.09749	19.0
139.00436	1.0
145.02991	1.1
155.03514	4.5
155.10806	81.0
161.04532	2.1
173.04575	100.0
174.04922	4.2
175.05112	1.3
181.08711	3.8
189.72444	0.7
191.05574	0.7
199.09796	13.5
240.61424	0.7
258.75256	0.7
273.20831	0.7
295.08298	35.0
296.08597	2.4
297.08893	3.6
303.18246	0.8
321.77176	0.6
435.22415	3.1
451.19849	50.1
495.18835	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	495.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	11.3
57.03470	7.0
58.81599	1.4
59.01384	34.2
64.34438	1.4
71.01382	68.8
72.99313	1.5
73.02959	25.5
75.00872	1.7
80.93356	1.5
83.01389	14.7
85.02960	43.8
87.00906	1.7
88.18784	1.5
89.02466	2.9
89.94067	1.3
95.01380	2.9
99.00903	9.4
101.02443	51.7
107.05040	1.6
108.02171	33.9
109.02966	9.5
113.02455	31.8
151.04053	5.2
152.01181	24.3
153.01961	9.1
159.03012	2.3
161.04561	24.7
161.84923	1.4
168.80530	1.4
181.07315	2.3
195.03844	1.4
269.10358	15.5
313.09344	100.0
315.07248	35.4
353.00620	1.4
451.29919	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37411	0.5
54.58661	0.5
57.03466	4.9
58.00597	0.7
59.01392	16.5
61.98838	0.8
67.01870	0.7
69.03469	3.3
69.98779	0.5
71.01379	9.8
71.57281	0.5
72.99310	1.4
73.02949	5.3
75.00878	13.8
80.81654	0.5
82.94960	0.6
85.02956	12.5
87.00877	7.6
87.04520	4.4
87.87200	0.7
89.02452	5.6
91.01901	3.6
93.03458	1.1
96.96065	0.7
97.02964	2.8
99.00881	3.6
101.02447	4.1
108.02201	2.5
109.02946	3.0
113.02457	1.0
117.01942	0.7
119.03505	1.0
119.05042	9.2
120.86074	0.6
121.02945	3.0
122.06188	0.6
123.04504	0.8
129.01939	7.1
135.00873	1.4
135.03014	2.9
135.08177	3.5
137.09741	13.3
138.03191	0.9
139.04044	0.9
141.01930	1.4
145.02957	0.9
151.00398	0.9
151.06136	3.7
152.01164	3.1
153.01935	3.1
153.05621	0.9
155.10805	100.0
156.11063	0.7
163.04056	6.7
165.04237	0.8
166.02744	10.9
166.05063	0.8
169.12338	2.9
173.02435	0.7
173.04535	0.7
175.03969	0.9
177.04068	23.7
178.99875	1.2
181.05101	11.5
181.08678	3.3
191.05698	4.8
192.06097	1.2
199.09790	29.1
205.08762	0.9
211.07599	2.8
213.11319	1.0
223.07660	1.0
237.09245	0.7
241.10951	4.8
250.29774	0.6
266.16687	0.7
269.04480	0.9
297.04053	1.4
312.06332	2.5
327.08875	8.1
342.11124	7.5
357.13495	11.3
359.13608	6.4
375.14700	0.8
377.14587	13.5
405.15518	4.6
433.13452	1.2
477.15979	4.9
495.17416	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83043	0.8
55.01889	1.3
57.61470	0.7
59.01392	19.1
60.99322	18.4
61.98843	3.3
64.34950	0.8
71.01405	5.6
73.02959	1.8
78.95934	3.3
85.02995	1.8
87.00883	0.8
88.98820	100.0
89.02480	7.2
92.10797	1.7
93.03456	14.5
96.96021	6.0
101.02479	3.7
107.05037	1.0
109.02941	1.7
111.04566	0.8
113.02460	3.4
119.03503	1.0
119.05060	1.8
121.02966	13.9
122.51047	0.8
124.01672	1.0
125.02442	0.9
134.03767	1.2
134.22218	0.8
135.04538	14.8
137.02455	14.8
155.03532	4.7
158.53371	0.9
159.03041	0.9
161.02466	4.0
173.04521	8.2
179.03561	9.4
191.05602	1.8
191.99944	0.9
215.27951	0.9
217.60365	0.9
240.76602	0.8
256.38412	1.0
273.20880	4.0
324.73599	0.9
335.07608	8.0
337.08295	1.3
435.22546	3.8
435.29657	1.8
457.10831	1.2
495.08060	1.2
504.61594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22562	0.6
53.79934	0.6
57.03441	0.7
59.01385	6.1
60.99306	1.1
61.98841	8.8
64.40439	0.7
69.03460	1.3
71.01378	7.9
73.02942	1.7
79.95746	0.8
81.03450	1.2
83.01389	1.1
85.02966	6.3
87.00874	1.0
88.98805	5.2
89.02420	3.3
92.10117	1.6
93.03462	6.0
95.01375	1.8
96.95964	1.3
97.02929	0.9
101.02425	3.0
108.02184	100.0
109.02964	67.4
113.02486	3.1
116.13581	0.8
119.05014	3.2
121.02969	14.5
123.00894	1.9
123.04562	6.4
125.02433	1.4
133.02942	1.3
134.03722	1.4
135.04530	7.2
136.19312	0.9
137.02444	1.7
145.02928	1.2
147.18759	0.9
151.03955	3.3
152.01167	82.2
153.01967	26.4
153.09216	3.7
155.03479	1.7
161.02402	3.5
167.03502	7.7
173.04530	5.6
177.01981	5.9
179.03461	1.7
189.01997	6.8
190.02704	1.8
191.05652	5.5
215.03410	0.9
216.00621	1.0
217.01344	4.1
219.03044	1.4
315.07178	1.6
335.07831	1.3
341.06744	14.6
435.10892	7.4
435.22772	0.9
451.16257	17.4
457.11536	0.9
495.15051	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46819	67.7
82.06969	88.4
90.35618	78.1
186.10342	98.3
362.16632	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	493.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42978	66.7
59.01406	75.5
60.05556	73.2
62.59938	76.5
67.98915	81.3
87.22746	73.2
134.22093	84.2
146.75809	98.1
169.28917	79.3
207.64575	84.4
235.21114	100.0
378.18909	93.2
394.54889	86.6
442.58029	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00699	2.9
59.01389	100.0
59.01692	3.7
69.20861	3.0
77.99789	3.8
83.91348	3.3
98.96875	3.8
111.04518	14.4
115.28350	3.6
122.03729	14.3
123.04531	21.1
139.07672	15.3
154.02766	3.7
167.57343	3.9
181.21176	4.0
270.11810	4.2
323.29755	5.7
361.34680	7.3
389.34402	98.8
407.35373	17.8
411.08829	3.7
433.33524	14.0
498.93811	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	493.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
57.03461	1.8
58.99401	0.9
59.01388	30.4
59.09755	0.8
60.99318	1.2
61.98846	5.7
67.01929	0.9
67.41621	0.9
71.01384	13.5
73.02959	5.5
73.18494	0.8
83.01407	1.7
85.02973	7.1
87.00887	1.8
88.75140	0.8
88.98815	7.0
89.02461	2.2
91.28014	0.9
93.03464	5.6
95.01392	1.0
96.96006	4.1
97.06586	0.9
99.00935	1.0
101.02429	8.9
113.02477	3.7
119.05043	1.6
121.02969	10.6
121.60670	0.9
123.12625	0.9
135.04533	1.3
137.02460	5.9
138.70714	0.9
139.04008	3.2
139.70625	0.9
171.10172	1.0
173.04581	24.3
191.05624	1.6
265.18521	0.9
271.19186	1.7
295.08264	9.1
313.23959	3.8
331.25021	10.9
353.61588	0.8
433.24664	1.5
475.28998	1.5
489.12653	1.0
493.30280	100.0
494.30872	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.0
57.03457	4.9
58.00604	1.6
59.01389	100.0
59.60597	0.7
69.03468	1.1
71.01385	43.8
72.99322	3.1
73.02950	7.5
75.00886	3.2
77.27583	0.8
83.01416	4.1
85.02954	16.4
87.00905	3.7
87.04510	1.7
89.02447	32.1
91.00380	0.7
91.01869	6.0
93.03461	4.3
94.03836	0.9
95.01386	1.6
96.96033	1.2
99.00896	3.6
101.02444	28.9
109.02980	0.9
113.02460	17.5
119.03518	10.9
121.02966	3.7
122.56489	0.7
123.00927	0.9
124.01672	4.1
125.02449	18.0
129.01962	1.2
133.02989	3.9
135.00905	1.5
135.04523	3.4
137.02448	3.4
137.09758	0.9
139.11295	0.8
143.03505	3.0
149.99608	11.8
153.01953	4.8
153.09247	1.2
155.10765	3.5
156.67516	0.7
159.03082	1.5
159.10301	1.5
161.02496	8.3
161.04524	10.5
163.44377	0.8
165.00278	0.8
165.01917	1.0
165.04118	0.8
168.00670	20.4
169.01526	1.1
173.04639	1.0
177.04039	1.2
178.99901	6.9
179.03484	1.0
179.05603	6.6
191.05661	5.7
197.00894	1.5
199.09753	0.9
257.29745	0.8
271.19174	3.7
313.05728	2.6
313.09171	1.2
315.18457	1.2
321.15384	1.7
331.06720	15.4
359.06299	1.0
363.20236	2.9
433.24503	64.1
493.09860	25.8
493.18640	1.7
494.10056	1.7
517.55249	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.1
56.99263	0.2
57.03460	1.3
58.00607	0.9
59.01388	14.4
59.73562	0.2
61.98838	5.8
69.03474	0.3
71.01383	8.3
72.99316	0.5
73.02953	3.4
75.95225	0.2
83.01392	3.9
85.02954	6.1
86.00121	1.1
87.00895	0.6
88.98824	1.5
89.02451	1.9
93.03467	0.4
95.01395	1.0
99.00894	1.5
101.02444	8.9
102.89804	0.2
107.70722	0.2
111.00917	0.4
113.02463	3.2
113.03168	0.3
121.02946	1.5
125.02467	0.3
125.09717	0.4
127.11259	0.5
133.02988	1.3
135.04472	0.5
137.02507	0.3
152.01169	0.3
159.02997	0.3
161.02470	4.9
161.04549	0.8
162.02826	1.5
173.04561	2.2
265.21683	0.6
285.24371	2.7
295.08142	0.4
319.38004	0.2
331.24957	4.7
447.22781	0.4
447.29605	0.3
456.12924	0.8
457.13605	2.1
458.13861	0.3
475.29190	2.2
493.30298	100.0
494.30588	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70611	0.8
56.35989	0.8
58.64848	0.9
59.01387	28.4
60.25601	1.0
61.98849	0.8
63.50130	0.7
80.11563	0.9
95.27899	1.3
111.08173	1.5
121.02955	25.2
135.04538	7.0
165.12856	29.4
165.14122	1.9
183.13910	100.0
191.10768	1.3
197.15451	1.3
207.13965	1.2
209.11835	4.6
213.16888	1.2
225.14909	1.7
227.12917	73.3
251.12933	1.5
269.13940	2.1
293.14017	4.4
424.52188	1.0
493.20804	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45001	0.4
54.70069	0.4
57.03471	0.5
59.01386	4.7
60.76063	0.5
65.05857	0.4
71.01394	11.7
72.97552	0.5
72.99332	3.3
73.02955	62.7
73.41736	0.5
78.95918	1.0
80.31592	0.5
80.98676	0.5
85.02958	2.0
87.00880	6.8
89.02465	1.0
96.96016	2.9
96.96967	0.6
99.00887	7.8
99.92581	1.0
101.02461	2.0
109.02962	0.6
113.02472	0.8
114.09225	0.5
115.00373	2.9
116.92869	13.7
117.01948	100.0
125.02467	1.0
129.01955	0.8
130.58223	0.4
133.01448	0.5
135.04530	2.9
147.03004	7.3
147.06647	1.1
161.02547	0.6
169.01431	0.7
179.05728	0.8
181.05080	2.0
186.07808	1.0
191.05571	0.6
323.09729	0.6
327.18018	0.5
331.06607	0.8
357.86615	0.5
375.07059	1.1
493.12057	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.5
55.19107	1.3
57.03463	5.9
58.00607	2.2
59.01387	100.0
61.98846	5.2
67.01874	1.0
69.03462	1.3
71.01385	66.7
72.99332	5.2
73.02934	10.4
75.00892	6.1
83.01394	9.7
85.02956	26.2
87.00896	8.7
88.98822	3.0
89.02441	36.5
89.02940	1.9
90.22929	1.2
93.03481	5.0
95.01426	5.8
99.00871	12.6
101.02442	43.0
103.00453	1.6
105.01917	9.7
113.02471	22.2
119.03529	13.4
121.10242	8.5
125.02480	2.2
129.01913	2.3
135.04543	1.4
137.02454	4.7
143.03563	1.5
147.03038	2.7
149.04655	1.2
153.09230	5.7
155.10858	2.9
161.04599	10.3
165.09213	2.6
177.04063	5.3
179.05627	1.8
183.43576	1.3
191.05696	5.0
249.11284	1.6
271.06253	1.3
292.59058	1.4
299.10645	1.5
320.25125	1.3
344.02847	1.4
345.15585	56.9
410.45142	1.3
433.25162	10.0
447.59933	1.5
456.72696	1.3
493.19476	68.6
493.26245	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	492.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42469	0.3
59.01387	1.8
60.01708	0.4
61.98834	100.0
81.39890	0.5
99.95945	0.4
153.48170	0.4
154.05444	0.4
184.87682	0.9
202.88811	3.5
216.96288	0.4
220.85399	4.0
324.84103	0.5
456.13065	2.2
492.10834	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.9
57.03451	1.8
59.01386	27.8
61.98854	4.4
67.01903	2.0
71.01382	13.2
72.99312	1.4
73.02961	3.9
75.00893	1.3
83.05060	1.2
85.02974	5.3
87.00903	1.6
88.98796	1.3
89.02477	6.3
93.03458	88.4
95.01426	1.0
96.96080	1.6
99.00879	1.1
101.02452	7.5
107.05042	1.3
109.03002	2.5
111.00940	1.5
111.04554	5.2
113.02460	2.6
117.03476	1.4
119.03561	1.4
119.05067	2.0
121.02959	60.9
133.02957	8.3
134.03752	1.0
135.03484	2.7
135.04532	81.8
137.02451	100.0
139.00999	1.0
145.02971	4.4
153.05528	1.1
155.03520	29.3
161.02455	40.9
163.03996	1.9
164.77187	1.1
173.04564	71.9
179.03503	41.7
275.78232	1.1
282.18677	1.2
295.08307	13.9
313.23859	2.6
331.24948	5.7
335.07813	70.8
371.05334	14.4
447.22546	1.9
457.05783	1.2
457.11478	12.8
493.09341	7.3
493.30341	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94236	0.2
54.54149	0.1
59.01392	2.5
61.31837	0.2
61.98840	100.0
71.01399	0.3
89.02478	0.2
91.55140	0.2
92.10174	0.4
93.03457	0.2
96.27032	0.2
113.02492	0.2
117.03467	0.4
119.05028	0.3
121.02956	1.1
145.02942	2.2
173.04562	0.4
229.76804	0.2
354.44434	0.2
429.11517	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82958	0.2
59.01390	4.2
59.30001	0.2
60.01759	0.3
60.66752	0.2
61.01810	0.3
61.98837	100.0
78.95901	2.0
126.73711	0.2
140.01192	0.3
184.43471	0.3
195.13853	0.4
205.74661	0.3
277.21817	0.4
294.21637	0.3
295.22888	2.7
436.68802	0.3
491.32886	1.5
492.27240	2.4
492.33472	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	3.0
60.01743	0.2
61.01826	0.2
61.98843	100.0
76.34170	0.2
78.95910	1.0
92.10027	0.3
92.66152	0.2
103.12683	0.2
148.05229	0.2
172.80836	0.2
231.85182	0.2
277.71817	0.2
295.22708	0.3
433.06717	0.2
433.62592	0.2
434.69211	0.2
456.91385	0.2
491.32709	2.0
492.27145	0.4
492.33447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27988	12.3
59.01383	100.0
61.98839	28.0
66.39870	14.0
75.04523	13.6
89.45340	13.4
111.85592	12.9
133.16716	14.4
146.67706	13.5
189.11450	15.6
205.25502	13.6
274.50250	14.1
299.88223	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	491.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93396	45.1
60.12851	60.4
61.98844	90.2
63.64703	63.4
82.74985	56.5
82.93237	61.1
93.54363	56.8
113.34676	53.5
118.05946	61.2
126.44654	61.2
229.55670	59.8
248.09314	60.7
304.97424	67.7
329.47565	64.8
335.33386	61.4
372.03693	64.7
372.43802	62.7
399.46741	58.0
491.33505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13391	0.1
59.01389	1.4
71.01391	0.4
75.00879	0.2
85.02988	0.3
85.08040	0.2
93.03456	0.4
101.02448	0.2
109.02962	1.4
119.03494	0.2
121.02958	100.0
122.03296	0.7
148.84152	0.2
153.01968	0.8
173.04558	0.4
191.05646	0.2
205.08702	0.2
251.07304	0.2
431.23007	0.4
491.25287	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87269	21.6
59.01401	100.0
73.97127	22.7
145.20883	27.2
148.77258	25.2
163.91328	23.8
171.46573	24.6
175.11581	29.7
293.21207	31.0
313.45065	25.9
430.83859	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11494	3.2
52.86047	2.3
59.01387	100.0
65.00365	2.9
69.03502	6.6
71.01387	75.9
71.01724	4.1
73.02957	13.2
83.01418	3.1
84.95142	4.5
85.02969	7.7
85.75756	3.1
87.00893	8.0
89.02449	94.5
96.44507	3.1
96.96021	28.6
97.02957	7.8
98.95586	3.5
99.00910	14.5
101.02471	17.6
103.84838	3.4
103.94535	3.1
111.00898	4.5
113.02470	13.0
115.04050	12.8
119.03579	5.2
119.05029	5.1
125.02445	31.1
127.04029	5.5
129.05647	6.2
131.03528	4.9
135.00923	4.5
135.04579	3.5
137.02493	3.2
137.06111	57.9
149.04546	5.8
165.05620	20.9
183.74463	3.4
191.05673	20.3
233.06673	25.8
293.08871	93.4
431.15512	20.4
455.17880	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	491.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56009	1.6
55.01894	7.9
57.03461	3.5
59.01389	62.7
69.03449	1.7
71.01385	68.0
72.99318	2.3
73.02940	24.8
73.14571	1.8
75.00830	1.6
83.01416	11.0
84.95124	3.4
85.02963	33.0
89.02464	19.7
92.10759	3.9
95.01390	4.0
99.00902	9.7
101.02449	66.2
102.99512	2.1
107.58885	1.8
110.35644	1.8
113.02465	28.6
119.03513	4.2
121.02945	2.8
125.02374	2.4
137.74904	2.1
143.03505	2.7
161.04582	22.9
179.05695	3.2
180.14554	1.9
185.52991	1.8
220.13657	2.0
228.74734	2.2
269.10361	27.7
427.91818	2.2
431.15619	100.0
478.46011	2.0
514.50488	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1566
Annotation	Monnieraside II
Peak:m/z	Relative Intensity
51.45382	0.7
59.01399	21.2
61.98864	0.7
71.01395	8.2
73.02970	1.8
75.00908	1.3
85.02979	3.4
87.00894	1.0
89.02461	4.7
93.03449	3.2
101.02451	5.6
108.02213	4.9
109.02985	2.7
113.02486	4.0
115.00405	0.9
119.03495	1.1
119.04964	1.2
121.02964	6.1
122.03786	1.3
123.04530	100.0
132.02176	8.6
133.01476	1.1
133.03023	0.7
134.03757	19.2
135.04523	1.4
136.04190	0.8
137.02492	1.3
145.02966	0.9
149.06058	3.0
152.01186	4.7
153.02034	1.2
153.05597	75.5
160.01674	44.2
161.04530	1.6
163.04013	1.0
165.01930	1.1
165.12799	1.3
167.10710	1.0
173.04573	2.6
175.02515	1.7
175.04022	51.0
176.04413	1.4
183.13924	10.5
191.05580	1.8
193.05061	11.3
211.53581	0.7
227.12903	3.8
269.17599	1.7
337.09393	47.8
375.16650	2.6
431.23141	5.2
436.74625	0.8
491.11465	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.4
59.01384	16.5
60.51632	0.3
65.77914	0.3
70.48406	0.3
71.01382	10.4
72.97035	0.4
72.99310	0.8
73.02944	6.1
75.00883	2.3
75.77754	0.3
85.02970	3.1
87.00878	4.6
89.02442	34.1
92.75436	0.3
96.82853	0.3
99.00860	0.4
101.02421	4.3
103.04015	4.2
105.01942	0.7
113.02446	1.6
119.03505	2.5
129.01935	0.5
129.05573	2.6
130.99883	0.5
131.03505	8.6
146.04636	0.5
147.03030	0.7
147.06686	2.7
149.04565	100.0
165.04030	1.6
172.43443	0.4
173.75797	0.4
177.05574	0.7
190.99290	0.4
191.05669	2.6
195.05138	1.7
309.11981	18.2
401.11029	0.4
468.76257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64848	0.7
57.41449	0.7
59.01394	100.0
61.13483	0.7
61.98823	1.0
66.64314	0.7
72.66084	0.9
75.00880	3.9
84.19035	0.8
88.98829	1.0
95.06842	0.9
96.87940	0.7
101.02450	0.9
102.57487	0.9
103.00378	15.0
103.04005	2.0
116.07279	1.1
121.02953	11.2
135.04518	1.1
137.02443	1.2
145.02986	5.9
145.28558	1.0
151.04041	1.1
161.06082	1.5
163.04085	0.9
172.33739	0.9
191.05791	1.2
228.97403	0.9
229.88042	0.9
300.41788	1.0
355.15460	1.1
431.27765	1.3
490.32434	1.1
491.32651	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48865	0.2
56.51068	0.2
59.01384	2.7
64.35148	0.2
67.01910	0.2
67.11874	0.2
71.01389	1.1
72.14539	0.2
73.02972	0.2
81.03467	0.2
84.95094	0.2
85.02954	6.8
86.25589	0.2
87.00875	2.0
89.02460	1.2
92.66384	0.2
93.03453	3.4
96.96015	0.5
99.04548	0.2
101.02496	0.4
109.02989	0.7
111.04530	1.0
113.02518	0.2
118.90069	0.2
127.04021	1.8
131.20868	0.2
132.46579	0.2
133.02960	0.8
135.04510	1.5
136.89166	0.3
137.02458	5.5
153.01926	0.3
161.02469	1.8
167.03535	0.4
171.02994	0.4
173.04556	1.2
179.03545	1.0
191.05641	100.0
192.05980	0.8
209.04590	1.0
269.10339	0.3
310.44281	0.2
353.08801	7.5
371.09531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82722	0.5
55.01883	0.5
56.63211	0.4
57.03454	0.8
59.01389	12.7
60.99309	16.4
61.50907	0.4
70.17368	0.4
71.01381	6.7
72.99309	2.6
73.02946	2.5
75.00871	15.1
83.63138	0.5
85.02976	1.0
87.00909	0.8
88.98808	100.0
89.02455	6.2
93.03479	0.9
101.02446	3.3
103.00379	3.2
104.45749	0.5
110.74477	0.6
113.02480	0.9
115.00324	0.6
119.03493	1.1
121.02940	6.0
133.01411	0.7
133.60272	0.5
135.04517	2.2
151.06091	0.9
153.09212	1.2
159.03026	0.5
161.04637	0.6
166.53319	0.5
179.05733	0.6
181.07138	3.1
191.05592	1.0
197.08160	0.6
210.06834	0.8
211.07697	15.9
313.11496	1.0
347.06592	0.6
375.13071	0.8
394.86487	0.7
431.23029	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72528	0.5
59.01385	10.6
60.99316	18.4
70.20210	0.6
71.01392	4.0
72.99328	0.7
73.02975	0.8
75.00873	11.0
85.02953	1.7
85.64118	0.6
88.98806	100.0
89.02447	4.5
101.02448	2.7
103.00388	1.2
113.02432	1.0
119.05054	0.9
121.02956	4.4
135.04546	0.9
153.09164	0.9
173.33359	0.8
181.07175	1.7
191.05598	1.2
211.07701	11.4
236.62596	0.7
249.11798	0.8
298.76263	0.8
309.11700	0.9
378.47064	0.9
451.56973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27348	0.4
55.01885	0.6
56.02655	0.6
57.03457	1.1
59.01387	19.3
60.08459	0.4
61.98841	21.6
71.01382	7.4
72.99317	0.9
73.02945	2.5
75.00881	3.6
81.03448	0.8
81.68409	0.5
83.01402	0.9
85.02973	3.9
87.00866	0.7
89.02445	4.4
91.01909	1.0
93.03463	5.6
99.00865	0.7
101.02455	4.1
108.02196	20.9
109.02972	100.0
111.04543	0.7
113.02443	2.7
116.92857	1.0
117.92885	0.8
119.03519	1.3
119.05034	1.2
121.02974	6.1
123.00858	2.3
123.04533	5.1
129.03453	0.8
132.02184	4.7
133.02954	2.0
134.03752	11.1
135.03020	3.9
135.04498	2.2
137.02443	4.9
139.11308	1.0
139.27222	0.6
142.63225	0.7
143.05098	0.6
145.02946	1.3
146.03749	5.3
147.04561	7.8
149.06062	0.9
152.01187	26.8
153.01961	70.2
153.05534	6.9
155.10797	1.1
159.04488	0.8
160.01672	21.7
161.02449	3.4
173.04587	4.2
175.04025	16.8
177.04051	1.0
178.02705	0.7
179.05687	0.7
181.12332	0.7
183.10248	3.3
191.05685	0.9
193.05026	4.3
201.22714	0.5
218.02667	0.5
219.03018	6.1
225.11301	0.9
225.14980	0.9
235.78020	0.6
243.12396	4.2
251.07036	0.6
253.08730	18.5
315.07278	21.7
337.09357	2.8
381.85852	0.6
431.22806	3.2
491.11975	50.1
491.20923	2.4
498.89987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04329	1.3
57.86814	1.3
59.01389	27.3
59.25549	1.6
71.01402	10.5
73.02944	2.2
85.02989	2.6
89.02470	6.6
92.10831	1.7
93.03460	3.4
95.01332	1.4
97.74847	1.6
101.02470	3.3
105.96506	1.5
108.02193	85.9
109.02968	61.4
121.02966	9.2
132.02188	8.8
133.02960	3.9
134.03757	14.6
135.04483	5.8
137.02461	2.1
137.06096	6.3
152.01181	81.4
153.01952	35.3
155.10783	2.4
160.00432	2.5
160.01682	50.1
161.02466	22.2
173.04539	2.3
175.04005	33.3
181.05061	16.2
191.03493	3.3
191.05501	2.5
193.05070	2.7
208.03886	1.7
315.07266	19.7
431.22980	3.9
449.22144	1.8
470.82556	2.2
473.31693	1.8
491.12036	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	489.3601
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
51.38256	1.9
59.01379	3.5
61.98843	3.4
70.06524	1.9
78.95913	2.8
81.09497	2.0
83.91193	1.9
100.85973	2.3
102.85471	2.5
110.25962	2.3
152.99579	4.5
177.53325	2.4
206.40565	2.2
223.17249	2.7
229.74525	2.4
377.82190	2.5
427.35916	85.8
471.35242	2.6
489.35901	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	489.38
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	100.0
61.01220	18.6
68.97843	16.0
81.51603	18.7
98.01879	16.0
110.51629	17.5
114.34978	20.0
131.19540	20.6
139.48834	17.2
422.59653	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64281	0.9
57.76729	1.0
59.01386	100.0
60.86731	1.0
61.98860	1.3
64.29420	1.2
68.73302	1.1
84.68179	1.3
85.90949	1.2
99.53481	1.2
327.17624	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38890	0.2
51.91621	0.2
54.18406	0.2
54.20935	0.2
55.37324	0.2
58.42865	0.2
59.01389	2.8
61.01843	0.2
61.98838	100.0
71.01384	1.8
73.02965	0.3
75.76379	0.2
89.02451	2.0
91.02853	0.3
92.10223	0.3
93.03464	1.5
108.02197	0.6
109.02974	3.4
116.92854	2.0
117.92869	0.6
119.05001	1.9
120.05286	0.5
121.02901	1.2
126.02769	0.4
129.01871	0.3
130.88680	0.3
137.02420	1.3
152.01137	0.9
153.01955	1.8
160.01572	0.9
173.04555	1.4
175.03932	0.3
191.05611	0.6
192.06010	0.3
263.10034	0.3
295.09116	0.4
301.82764	0.3
315.07166	0.4
490.23843	0.7
491.12231	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	9.4
60.76438	0.5
61.98837	1.1
64.05637	0.5
71.05032	0.5
76.58503	0.5
82.52698	0.5
82.83928	0.6
93.03475	0.8
121.02965	1.4
150.16049	0.6
152.99709	0.5
191.14641	0.7
237.14926	1.2
278.90192	0.7
307.24097	0.7
322.51089	0.6
326.85095	0.7
375.27032	0.6
393.28058	2.1
489.32321	100.0
490.33008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	19.6
59.96136	0.7
60.59444	0.6
64.34660	0.7
66.58024	0.5
78.90799	0.7
90.98094	0.7
101.74171	0.6
108.82056	0.8
121.02953	1.4
148.05313	1.4
163.07686	1.2
178.82011	0.7
252.85072	0.8
328.21530	0.7
393.27908	2.9
489.32294	100.0
490.32666	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3604
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
50.19203	0.9
51.81664	0.9
55.69934	0.8
59.01402	5.4
61.98847	1.5
63.35749	0.9
71.05043	2.3
78.95917	1.2
92.65430	1.0
96.93324	1.1
96.96046	1.3
109.03004	1.6
120.18378	1.0
121.02993	2.1
121.33350	0.9
129.36797	1.1
135.51651	1.0
146.67957	1.1
159.04530	1.2
188.06004	1.0
216.86055	1.1
311.84561	1.1
365.13885	1.6
381.59439	1.2
412.76712	1.1
429.33759	8.9
475.28668	1.3
489.36108	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	489.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14120	1.7
51.64742	1.9
53.49403	1.8
54.82855	1.8
59.01396	13.5
59.98048	1.9
67.43690	2.2
74.73253	1.9
76.58013	2.1
120.94929	2.3
121.05146	2.6
121.10286	9.5
127.88887	2.7
185.11821	5.7
245.59933	2.3
291.19714	66.9
304.91306	2.7
390.28671	4.2
407.29272	4.4
408.29355	4.9
424.33282	9.7
470.33603	45.4
471.33954	63.3
488.34769	56.9
489.23584	3.3
489.35532	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	489.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.3
60.98375	2.5
61.98845	4.1
65.85098	2.4
78.95921	4.0
121.02917	6.1
141.70474	2.6
162.11334	2.7
165.12875	15.3
247.20757	12.0
267.06705	5.8
268.07260	3.8
273.18481	4.3
291.19714	100.0
365.13843	3.8
489.22574	4.1
489.35614	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2879
Annotation	Caseamembrin B
Peak:m/z	Relative Intensity
58.00605	1.2
59.01389	6.5
59.74252	0.6
60.60395	0.6
61.98833	1.0
71.01384	0.8
72.99323	4.5
75.00864	8.7
78.91350	0.6
85.83231	0.7
109.06524	0.7
117.83958	0.7
121.02968	1.7
124.75794	0.6
275.90192	0.9
351.15686	0.7
355.22739	7.1
355.26358	1.6
381.27914	3.5
383.25906	1.0
385.27377	2.9
413.27127	10.7
415.28467	3.1
425.27106	25.0
429.26379	10.6
441.26602	1.0
443.28070	4.4
453.26624	1.2
471.27686	5.2
488.34863	1.3
489.28622	100.0
490.28909	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54914	0.3
59.01386	100.0
61.54216	0.3
64.35290	0.3
70.52102	0.3
71.89642	0.3
74.26044	0.3
90.60246	0.3
91.15243	0.3
119.93137	0.3
143.29770	0.3
148.05322	16.4
163.07661	11.3
175.81996	0.3
178.93874	0.4
229.10458	0.3
257.49390	0.3
257.95963	0.3
297.27570	0.3
426.39230	0.3
489.32263	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	489.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53453	0.3
59.01394	100.0
63.22630	0.3
64.34462	0.3
69.15214	0.4
69.36951	0.3
89.60322	0.3
96.38410	0.4
119.05117	0.3
121.02967	1.4
148.05322	15.3
161.12506	0.3
163.07674	9.0
218.77795	0.4
237.15045	0.5
267.06702	0.8
268.07547	1.5
327.64413	0.4
429.26346	0.9
464.31119	0.3
488.34756	0.6
489.32205	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	489.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.4
57.03468	5.0
59.01394	26.5
60.99320	8.4
61.98838	1.6
69.03484	1.3
71.01398	21.1
71.05041	1.4
72.99319	1.2
73.02960	25.3
75.00891	6.8
81.03468	5.2
83.01401	1.7
83.05054	6.0
85.02968	37.4
87.00896	2.0
88.98817	57.6
89.02448	5.9
93.03482	4.3
95.01430	1.2
96.96024	5.8
97.02983	1.6
99.00881	1.8
99.04511	7.9
101.02448	23.8
108.02174	0.8
109.02962	7.7
113.02446	3.3
115.00440	1.1
119.03517	1.3
119.05013	1.9
121.02965	100.0
127.04023	13.7
131.05011	0.9
135.04544	45.7
143.05005	1.3
145.05090	20.3
146.03772	1.1
147.04549	7.8
161.04530	3.5
163.04034	7.2
165.04100	2.9
165.05528	1.7
173.04510	1.1
173.17038	0.8
191.05614	6.4
199.09641	0.9
207.06744	1.3
223.06018	3.0
251.07127	4.0
253.08784	1.8
279.06546	1.0
291.42493	0.8
323.05630	6.2
332.08340	0.8
351.11066	1.5
429.21225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54606	0.4
59.01385	11.1
62.79604	0.4
63.34483	0.4
71.01379	6.0
73.02963	2.2
73.88188	0.5
85.02945	2.2
89.02440	6.8
89.17479	0.5
93.03485	0.6
101.02440	7.0
113.02474	2.3
117.03473	25.6
119.03540	2.2
119.05025	30.7
121.02949	1.0
133.06587	3.1
145.02969	100.0
146.03288	0.6
161.06110	8.5
163.04028	35.0
163.06100	1.1
177.05519	3.7
177.14667	0.5
180.58594	0.6
181.07225	3.9
205.05101	8.5
235.06165	0.8
265.07245	5.8
287.04349	0.5
489.16245	52.3
490.16754	1.9
501.63754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
59.01388	17.1
71.01390	8.5
72.99320	2.0
73.02966	2.7
73.05165	0.4
75.00872	1.0
79.87067	0.4
81.22034	0.5
83.01393	1.0
85.02962	5.8
87.00887	2.3
88.98805	0.9
89.02457	3.1
91.01890	0.7
93.03457	5.1
95.01396	0.6
96.96008	2.7
97.02950	0.7
99.00895	0.8
101.02445	7.6
107.05045	1.3
109.02962	0.5
111.83911	0.5
113.02449	3.2
119.03500	1.2
119.04998	1.1
121.02959	100.0
122.03318	0.8
125.02448	0.7
127.04053	0.6
131.03485	0.5
135.04533	22.8
137.02446	2.5
138.02840	0.5
147.04539	0.8
161.04547	1.9
163.04016	3.8
163.06073	0.9
171.10251	1.9
191.05615	2.5
193.05109	0.6
211.05913	0.6
217.05048	0.6
223.06177	1.0
223.08200	2.4
265.05057	0.7
283.08344	0.9
307.10284	0.7
325.09421	3.7
354.84644	0.6
367.12506	0.8
429.14359	0.6
429.21454	0.8
462.11465	2.3
489.16132	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	489.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.3
59.89329	0.6
71.01377	9.6
73.02962	3.4
73.91935	0.7
84.57561	0.7
85.02981	3.1
89.02449	7.5
92.47288	0.8
93.03486	1.5
101.02458	7.7
113.02447	3.0
117.03477	24.4
119.03592	1.1
119.05041	27.8
121.02946	3.5
131.03520	0.8
132.02180	0.9
133.06538	2.8
134.03770	3.8
135.04568	1.5
137.02402	1.0
138.53685	0.7
140.50845	0.8
145.02977	100.0
146.03308	0.9
149.06013	0.8
160.01701	8.5
161.06099	8.1
163.04028	36.2
163.06094	1.0
175.04051	7.5
176.45177	0.7
177.05583	4.2
181.07187	5.4
193.05101	3.1
205.05106	12.3
210.06934	0.9
211.07677	1.0
235.06174	3.5
239.11029	0.8
265.07101	6.8
293.52975	0.8
305.61838	0.8
307.08331	1.5
346.68954	0.8
423.44861	1.0
489.16229	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41928	0.7
55.01880	1.3
55.56005	0.7
57.03458	1.9
58.00622	0.9
59.01390	37.4
65.40044	0.9
69.03465	1.3
71.01385	22.7
72.99327	1.0
73.02962	5.7
81.03450	8.8
83.01399	3.4
83.05025	7.2
83.17551	0.9
83.25517	0.9
85.02957	40.7
87.00882	3.3
88.05531	0.8
89.02449	17.7
93.03469	4.0
96.95997	4.9
97.02951	1.1
99.00896	5.2
99.04528	7.5
101.02450	12.2
103.00367	1.3
108.02201	3.5
109.02959	10.5
113.02448	6.4
117.03429	1.9
119.03518	3.6
119.05043	1.3
121.02959	25.0
122.83048	1.0
127.04020	20.4
132.02191	19.9
133.02982	1.6
134.02725	1.7
134.03749	45.6
134.42656	0.8
135.04536	13.2
137.02515	1.7
145.05115	13.8
147.04524	1.6
149.02470	1.3
149.06107	5.8
151.06120	11.9
160.01675	100.0
161.02382	1.3
163.04028	1.8
175.04016	91.5
176.04736	4.8
178.02707	1.7
179.05649	1.1
190.02773	3.8
191.05586	4.4
191.07178	5.2
193.05077	38.6
205.05066	3.6
207.06641	1.3
209.92331	1.0
210.06902	5.1
211.07684	37.3
235.06128	14.4
265.07019	1.4
274.46765	0.9
295.08118	1.5
327.08737	1.9
337.09293	1.9
387.98062	1.1
489.16266	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	3.6
59.01394	32.9
68.84947	2.7
69.12048	2.3
71.01393	100.0
72.99323	43.0
85.03004	3.6
87.00887	50.5
89.02466	16.9
101.02467	3.6
113.02451	4.1
115.00375	39.9
119.03524	3.9
129.01945	6.3
132.29260	2.9
133.01462	26.8
135.01894	3.9
147.03008	83.7
147.06645	18.1
156.50021	2.7
175.70146	2.9
179.05559	3.2
191.05684	11.1
199.13037	2.6
229.33621	2.6
240.21104	2.8
341.10968	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	489.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61020	0.5
55.79493	0.6
59.01387	16.6
60.48606	0.7
61.98835	1.1
65.71037	0.6
68.90945	0.6
71.01394	9.9
71.23930	0.6
72.99342	0.7
73.02969	1.3
73.88836	0.7
82.95435	14.8
85.02974	5.5
89.02461	4.2
92.66294	0.6
93.03470	19.9
95.05135	0.7
96.96016	2.9
101.02446	3.3
101.06078	1.1
107.05073	0.7
109.02955	1.3
109.21869	0.6
111.04539	1.0
111.08118	0.6
113.02459	1.6
115.07685	1.0
116.92923	1.1
119.05035	99.0
121.02959	10.4
123.04514	1.2
125.02511	0.7
128.17236	0.6
131.05013	0.8
132.05786	4.5
133.06586	1.5
134.03708	5.1
135.04527	3.6
145.06598	1.6
147.04518	1.5
149.06058	3.1
151.04068	0.6
152.91859	0.7
163.04033	42.9
165.05573	3.0
177.05606	11.5
191.05602	5.2
210.06900	20.3
211.07693	100.0
212.07903	0.9
229.01508	1.2
237.09233	6.6
239.10812	19.3
241.85471	0.7
267.08731	3.5
283.09818	6.3
373.13123	2.8
394.02386	0.8
408.47406	0.8
489.14124	63.5
490.14810	0.9
498.61954	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24240	0.4
55.01884	0.8
57.03455	0.9
59.01384	13.3
61.98847	0.7
71.01385	5.9
73.02952	2.4
75.00887	0.7
79.38857	0.6
82.95412	1.2
83.01411	0.8
85.02948	4.9
87.00909	0.7
88.08772	0.6
88.98801	0.8
89.02455	3.0
89.03979	3.4
93.03486	2.1
99.00879	0.6
101.02424	5.0
103.79695	0.6
113.02457	3.0
117.03464	12.0
119.04979	0.7
121.02969	4.9
125.02416	0.5
132.02184	15.4
133.02974	3.9
134.03749	100.0
135.04533	1.0
137.02457	1.2
139.04025	0.6
145.02934	0.7
147.04530	0.6
149.06119	8.9
150.03273	0.8
160.01674	69.6
161.02441	0.6
161.04671	0.7
165.05519	0.7
173.04509	0.9
175.04018	60.1
178.02748	1.0
179.03546	1.1
191.05698	0.7
192.68187	0.5
193.05084	58.3
198.74957	0.6
227.03555	6.6
255.03043	10.3
256.03696	0.9
260.81989	0.7
284.03259	6.5
285.04056	3.0
302.19162	0.5
313.09378	1.3
430.12711	0.8
445.15131	42.3
489.10349	4.2
489.15411	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	489.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.2
57.39307	0.2
57.44880	0.2
59.01393	2.3
60.99313	0.2
61.98852	0.2
63.00998	0.2
71.01395	1.1
83.05054	0.2
88.98830	2.9
93.03484	1.0
105.02581	0.2
109.02977	2.5
117.03486	26.0
117.98627	0.2
119.05038	7.6
121.02969	8.5
126.28657	0.2
133.06664	0.4
135.04539	7.7
140.54247	0.2
143.38756	0.2
145.02979	100.0
146.03482	0.5
147.04558	1.4
149.06065	0.3
158.03789	0.8
159.04564	2.9
161.06126	1.6
163.04039	8.0
169.67442	0.2
173.04742	0.2
173.06087	1.8
174.06978	0.3
175.04001	0.2
176.04813	1.1
185.06155	0.3
186.06938	0.2
187.04005	3.0
187.07657	1.0
188.04858	0.5
189.05734	0.3
199.07623	0.4
200.04883	0.4
201.05571	0.4
205.05243	0.3
205.08759	1.6
211.07745	0.5
214.06345	0.5
215.07204	1.5
216.07887	0.2
217.08746	3.9
225.09114	0.3
226.06332	0.4
227.03526	0.3
229.08786	1.2
233.16624	0.2
243.10419	0.4
255.03081	0.5
255.10376	1.7
256.03458	0.2
280.07571	0.2
284.03531	0.4
285.04202	0.9
285.59753	0.2
292.07440	0.9
321.11310	1.4
347.12720	0.4
365.14038	5.2
409.13037	0.4
429.11972	9.2
448.07913	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42952	0.6
58.82016	0.6
59.01393	5.8
60.99316	18.4
71.01408	3.8
73.02964	1.0
75.00873	5.7
79.72676	0.5
85.02977	3.3
87.00912	0.6
88.98808	100.0
89.02454	2.7
92.10856	0.5
93.03454	0.7
101.02471	1.1
101.44058	0.5
109.02941	4.4
116.92863	6.7
121.02955	10.7
129.01962	1.3
129.66882	0.6
131.05112	0.7
135.04547	2.6
137.02477	0.6
140.09222	0.7
143.05035	3.8
145.03006	0.9
146.03770	2.5
147.04510	6.8
159.04512	0.8
165.04100	1.3
177.04106	1.3
191.05646	2.3
235.07631	2.2
251.07182	3.9
253.08768	13.0
279.06549	0.9
284.67139	0.7
289.09329	2.2
297.07681	2.3
323.05701	4.8
353.06635	0.6
428.14395	0.7
489.10327	1.0
489.30618	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	489.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.4
62.54487	0.4
63.27727	0.4
63.66582	0.4
64.78307	0.4
71.01376	3.5
73.02964	1.9
85.02972	1.9
89.02475	0.6
89.03976	3.1
93.03469	1.1
101.02450	2.6
108.02159	0.5
113.02473	0.6
117.03473	10.0
119.05041	0.6
121.02947	2.3
132.02179	9.9
133.02966	2.8
134.03749	100.0
137.02449	0.8
149.06073	5.1
150.78696	0.4
152.87999	0.5
160.01671	43.5
161.04659	0.7
173.04559	4.0
175.04021	41.2
178.02766	0.6
193.05083	61.3
235.11116	0.5
265.45844	0.5
295.08466	0.5
313.09357	2.1
445.15158	35.0
489.14218	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03109	0.9
54.82485	1.0
57.03461	1.5
59.01389	33.4
59.99195	1.0
61.98855	1.8
67.01887	1.2
71.01402	7.1
73.02962	1.9
77.51360	1.1
79.73414	1.1
83.01407	1.5
83.05084	1.3
85.02978	7.1
87.00889	1.7
88.24289	1.1
88.98832	3.1
89.02446	2.6
93.03473	6.7
99.04534	1.6
101.02435	2.1
106.50101	1.4
107.01444	2.3
109.02982	4.9
112.04134	1.6
113.02482	1.8
116.92856	2.5
119.05036	1.8
119.57876	1.2
121.02964	34.1
122.03294	2.3
133.02925	1.8
135.04562	12.6
137.02492	2.0
150.67805	1.2
151.00377	1.5
161.02457	2.7
163.04010	2.2
164.01262	1.3
169.08717	6.6
171.04622	1.3
173.04538	6.8
179.03549	3.0
183.04575	2.2
187.03957	1.6
188.90283	1.3
191.02055	1.6
191.05666	5.4
208.60576	1.2
208.87447	1.2
211.04024	2.7
217.05577	1.3
227.03537	64.0
229.05154	1.7
255.03043	99.5
256.03674	6.0
267.16055	13.5
269.04791	1.6
283.02545	7.3
284.03314	100.0
285.04095	45.7
335.07776	2.7
359.12854	6.1
429.08221	9.2
429.25665	1.7
432.51141	1.4
489.10526	39.9
489.27072	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
56.50748	0.9
57.03454	1.1
57.26877	1.0
59.01388	23.4
71.01360	7.9
73.02933	2.0
83.01334	1.1
83.32436	1.3
85.02930	2.8
85.20168	1.4
88.98799	2.1
89.02425	2.2
92.10122	1.3
93.03458	19.7
96.00930	1.3
96.95975	1.3
98.20187	1.3
108.04572	18.7
111.04502	1.6
113.02357	1.1
118.02994	29.1
121.02962	42.2
134.02480	1.5
134.03671	2.1
135.04434	1.9
136.01607	2.6
137.02480	17.2
137.09619	1.2
144.04579	28.5
151.04016	11.8
155.03444	2.4
161.02429	1.5
162.05536	8.1
173.04579	13.3
183.04387	1.5
188.03552	37.9
191.05576	1.5
205.06248	25.7
205.15985	2.0
211.03918	1.6
223.07236	2.8
227.03551	82.0
229.05051	2.0
249.14774	2.9
255.03033	100.0
255.05586	3.1
256.03540	7.7
267.15796	2.1
284.03333	64.0
285.04144	22.3
295.08084	5.3
327.04544	1.2
429.21384	1.5
489.03442	2.3
489.09967	61.6
489.22855	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96953	0.7
59.01382	9.5
61.01401	0.9
61.98838	1.6
71.01402	1.2
72.99332	1.3
86.58598	0.9
88.98833	4.3
93.03497	1.1
101.66737	1.1
109.02969	45.5
109.03687	1.9
119.05037	1.4
121.02979	9.6
123.04557	2.0
134.03743	4.7
135.04538	67.6
143.05006	1.4
145.02983	2.0
145.06639	1.8
146.03769	13.1
147.04555	15.6
148.05331	4.6
149.06116	8.4
158.03773	2.0
159.04533	36.4
160.05295	1.7
161.06075	4.2
163.04037	7.2
171.04492	1.2
172.05304	9.9
173.06099	33.1
174.03281	1.2
174.06802	2.0
175.04037	7.4
175.07661	10.2
176.04791	24.2
183.04501	1.1
185.06099	7.1
186.06879	5.5
187.03966	11.9
187.07658	19.4
188.04834	11.5
188.08353	1.2
189.05582	11.7
189.09296	1.8
191.05560	1.4
197.06128	4.4
198.06874	1.2
199.07692	11.4
200.04858	12.8
201.05586	9.9
201.09192	5.6
203.07146	2.2
205.08720	29.7
209.06146	1.5
211.07652	6.5
213.05605	4.2
213.09244	1.5
214.06406	10.0
215.07181	33.7
216.07909	8.2
217.08746	85.6
225.05563	4.1
225.09203	2.4
226.06406	17.2
228.07877	1.4
229.08716	21.2
240.04265	2.3
243.10243	11.1
249.06013	1.5
255.03174	1.3
255.10329	43.3
264.07913	1.8
265.12427	1.6
267.06683	1.7
268.07486	8.2
271.15106	1.0
291.06653	1.7
292.07568	14.6
293.08298	3.9
293.11899	1.2
306.09042	2.3
307.09637	2.2
308.10611	1.8
309.11505	1.9
321.11337	27.6
347.12958	7.1
365.14008	100.0
366.14374	1.5
409.12866	1.1
453.11786	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	489.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14821	0.5
51.10678	0.4
54.50026	0.5
55.37402	0.5
56.11228	0.5
59.01104	0.8
59.01384	7.6
61.98842	0.9
71.01399	1.4
72.99316	0.8
81.48402	0.6
85.02976	0.8
88.98782	5.2
92.10139	1.5
93.03461	2.9
101.02470	0.7
102.54056	0.6
104.65310	0.5
109.02959	12.5
117.03465	27.8
119.05033	11.0
121.02960	21.6
131.04996	0.8
134.03795	1.0
135.04533	21.0
139.03960	0.7
145.02969	100.0
146.03772	2.6
147.04494	4.3
148.05350	2.4
149.06114	1.1
158.03735	0.9
159.04547	12.1
161.06105	1.4
163.04041	11.4
172.05333	3.1
173.06102	8.2
174.03236	0.6
174.06943	1.1
175.00461	0.6
175.04034	2.5
175.07643	3.8
176.04800	6.5
180.80530	0.6
185.06010	1.0
187.04041	6.1
187.07616	4.3
188.04817	2.3
189.05577	4.0
189.09290	0.7
190.02721	3.0
197.06108	0.8
199.07664	3.1
200.04819	3.1
201.05623	3.0
201.09216	2.3
203.07115	0.7
205.05093	3.2
205.08685	9.6
211.07730	2.3
214.06493	2.2
215.07153	8.0
216.07985	1.1
217.08728	19.4
226.06377	3.6
227.03575	1.1
229.08745	5.7
243.10268	3.3
255.03073	3.7
255.10289	10.5
268.07321	0.8
272.31256	0.7
284.03357	3.0
285.04031	4.5
292.07431	2.8
321.11353	7.7
347.13043	2.5
349.13016	0.7
365.14017	25.7
409.12912	2.6
429.12006	8.2
453.11865	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62115	0.3
54.50400	0.3
57.40652	0.3
59.01387	1.9
60.99312	18.3
61.98835	0.7
87.00864	0.7
88.00392	0.6
88.98804	100.0
89.02433	8.4
92.10802	1.1
94.44700	0.4
98.10627	0.4
121.02966	0.7
229.79807	0.4
254.35310	0.4
354.29916	0.4
363.46530	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82626	0.8
59.01384	2.2
60.99315	17.7
61.98839	2.0
65.99175	0.8
76.29927	0.9
82.66450	1.0
82.95408	1.9
87.00862	1.3
88.98805	100.0
89.02448	12.4
92.72190	1.0
93.03468	2.2
121.02965	1.7
137.02466	1.6
215.07851	0.9
216.44807	0.9
223.51915	1.2
487.34598	7.3
488.34842	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	488.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14020	0.5
52.39386	0.6
58.00628	0.8
59.01394	0.9
61.98854	3.3
63.05049	0.7
89.85246	0.7
97.88717	0.7
111.87245	0.7
134.40392	0.7
149.00591	0.8
208.90633	0.7
258.62161	0.7
284.16895	0.8
306.21616	1.2
346.55197	0.8
424.29285	1.4
426.26727	0.8
440.28732	1.2
452.28918	4.9
458.29849	9.7
470.29837	5.7
487.34564	5.3
488.35275	100.0
489.32379	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3436
Annotation	2-Epitormentic acid
Peak:m/z	Relative Intensity
60.99327	4.5
61.23888	2.8
70.74044	2.9
73.05616	2.4
97.06607	18.6
130.18881	2.5
201.78772	3.2
239.48792	3.1
385.17511	3.2
391.30505	9.9
405.31970	21.2
407.33618	32.8
409.31219	5.6
423.32913	16.4
425.34222	5.9
441.33722	28.6
451.32260	16.8
453.33618	36.5
455.34674	23.3
467.31641	46.5
469.32993	4.2
487.34494	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	487.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45710	58.3
59.90258	66.4
60.65407	56.5
61.98852	58.6
69.00386	68.3
95.64261	64.2
105.96384	61.8
112.30907	63.3
114.11861	65.9
137.51741	60.1
141.38017	59.2
155.60359	64.5
199.02042	67.9
210.06155	72.1
279.79620	65.1
430.70313	72.8
487.34125	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	487.344
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.68856	0.6
59.01390	1.2
70.20111	0.7
71.64331	0.7
72.99323	0.9
96.42312	0.8
109.27526	0.6
110.70496	0.7
223.91104	0.7
407.33203	3.4
441.33832	22.4
487.34369	100.0
488.34537	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.7
69.91523	0.3
72.99278	0.3
81.69109	0.3
82.03321	0.3
91.94276	0.3
92.10831	0.6
92.65603	0.3
195.71490	0.3
202.04614	0.4
315.40683	0.3
397.31021	1.3
407.33182	2.2
413.34470	0.5
441.33807	24.8
443.35486	0.5
451.32111	1.8
469.33167	1.6
487.34381	100.0
488.34778	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	487.3436
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
60.45372	0.4
71.05000	0.6
76.02327	0.4
81.03454	0.6
83.53062	0.4
97.06601	7.7
109.28455	0.5
112.67474	0.4
137.09711	0.7
145.50191	0.5
158.14467	0.5
189.12828	0.6
191.14400	1.0
237.14847	0.9
389.28613	2.8
391.30493	4.0
393.28226	1.8
403.30188	1.0
405.31650	8.3
406.24020	0.6
407.33435	13.9
409.31140	2.0
423.33105	1.7
425.34549	1.0
441.33838	13.3
449.30585	2.3
451.27466	0.8
451.32285	26.0
453.33847	100.0
454.33975	2.4
459.34937	0.9
467.31552	3.5
469.33563	3.1
471.35269	3.1
485.32858	1.1
487.34381	29.8
497.33249	0.7
513.03723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76132	2.6
61.98837	2.7
73.06705	2.6
77.88857	2.4
81.59559	2.4
106.98210	2.7
139.69458	2.6
176.85335	2.8
407.32849	3.0
435.52869	3.0
441.33893	18.6
449.80029	2.9
487.34393	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	487.3435
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.67302	0.3
51.83912	0.3
60.22583	0.3
61.60059	0.3
78.02692	0.3
98.07322	0.4
102.34187	0.3
104.57191	0.3
155.93697	0.4
160.57202	0.5
201.38396	0.4
376.63870	0.4
389.67279	0.5
474.30673	0.4
487.34393	100.0
488.34677	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
75.66060	0.3
77.11847	0.3
83.70460	0.3
89.15775	0.3
110.58449	0.3
110.71391	0.3
140.29277	0.4
140.68289	0.3
487.34369	100.0
488.34766	1.6
503.54221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71786	1.0
57.33577	1.1
72.14822	1.1
76.61489	1.4
87.75276	1.2
136.16965	1.3
167.25893	1.3
314.13171	1.3
322.48264	1.2
469.33508	15.3
487.34610	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	487.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92231	0.3
59.12465	0.2
83.52354	0.3
90.89038	0.3
120.15557	0.3
152.77023	0.3
201.36966	0.3
263.77676	0.3
271.20200	0.3
345.39908	0.3
468.45523	0.4
469.32150	0.3
487.34369	100.0
488.34634	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	487.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97495	0.3
63.96494	0.2
65.14289	0.2
92.10055	0.6
126.04207	0.3
132.11581	0.3
132.18869	0.3
159.17207	0.3
241.20557	0.3
284.07919	0.3
356.04858	0.3
434.27686	0.4
487.34384	100.0
488.34845	2.3
509.74976	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94242	0.3
56.41244	0.3
69.17538	0.3
78.67317	0.3
104.08206	0.3
169.97801	0.4
226.16188	0.3
262.96399	0.3
469.33160	1.4
487.34372	100.0
488.34732	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	487.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70045	0.3
53.57816	0.3
59.01369	0.3
85.99693	0.3
98.78622	0.3
150.43004	0.3
160.27902	0.3
212.35081	0.4
423.32816	1.2
469.33511	4.4
487.34396	100.0
488.34515	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	487.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55177	0.3
52.58929	0.3
54.76828	0.4
54.95790	0.4
56.76212	0.4
59.32128	0.4
61.48325	0.5
64.68120	0.4
79.97040	0.4
81.01725	0.5
84.33134	0.4
92.10052	0.9
120.83062	0.5
133.02586	0.5
144.68933	0.4
177.70290	0.5
188.42740	0.5
381.29663	0.5
387.30695	0.9
388.93896	0.5
389.28922	0.7
423.32523	0.8
425.58789	0.5
469.33304	7.6
487.34390	100.0
488.34680	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3067
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
54.82707	0.6
54.93574	0.7
58.46542	0.5
59.01390	3.8
71.01385	1.1
89.02439	1.1
92.10827	1.3
96.96007	1.2
101.02477	1.0
164.30348	0.6
191.05585	3.3
298.91034	0.6
397.76376	0.7
451.33234	1.1
487.30643	100.0
488.30740	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3072
Annotation	Camphoratin A
Peak:m/z	Relative Intensity
54.24550	1.6
59.01388	5.1
61.98837	5.1
67.48570	1.8
75.00867	3.0
80.05659	2.0
81.86074	1.8
82.82370	2.0
85.02971	2.6
92.10168	4.5
106.51958	2.1
121.02934	2.9
126.74754	2.2
140.78947	2.3
141.75554	2.1
153.31601	2.0
186.74321	2.2
335.73911	2.4
407.33377	3.9
409.27417	5.2
423.29608	28.3
425.27109	13.2
425.34271	4.5
427.24777	2.5
436.26199	2.6
439.28360	15.2
441.30414	3.8
445.41071	2.1
451.28790	29.5
457.29608	50.6
469.29572	45.7
487.30994	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	487.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98030	1.3
54.24688	1.4
59.01393	3.8
59.09158	1.4
60.05676	1.6
68.11721	1.5
75.60092	1.5
80.57117	1.3
92.10829	2.9
144.07718	1.5
220.14761	2.2
236.10707	2.2
281.16818	1.5
304.90515	1.5
421.30994	2.7
435.09363	2.0
457.29660	46.4
487.30902	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	487.3072
Annotation	Camphoratin A
Peak:m/z	Relative Intensity
52.98030	1.3
54.24688	1.4
59.01393	3.8
59.09158	1.4
60.05676	1.6
68.11721	1.5
75.60092	1.5
80.57117	1.3
92.10829	2.9
144.07718	1.5
220.14761	2.2
236.10707	2.2
281.16818	1.5
304.90515	1.5
421.30994	2.7
435.09363	2.0
457.29660	46.4
487.30902	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	487.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.6
57.03461	3.1
58.00603	1.1
59.01388	36.0
59.56511	0.6
61.98832	0.7
69.03474	1.1
71.01383	30.0
72.99307	0.9
73.02950	6.1
82.95432	4.2
83.01405	3.1
85.02963	14.4
85.15913	0.6
86.03281	0.6
87.00867	1.5
87.04517	1.3
88.98833	1.5
89.02452	14.0
93.03468	1.1
95.01403	1.1
96.96025	3.7
97.02973	2.6
97.06602	1.0
99.00880	1.6
99.04507	1.2
101.02454	36.4
101.06088	67.8
109.02965	1.6
113.02460	12.6
113.06119	0.9
115.07661	100.0
116.92875	7.8
117.03455	1.5
119.03507	3.9
119.05026	8.6
121.02973	1.4
125.02482	0.9
129.01962	3.5
131.03464	1.1
133.33728	0.8
134.03682	0.7
135.04584	0.7
143.03468	1.1
143.07140	9.9
145.01581	0.6
145.02968	7.4
145.05139	1.1
151.03922	0.9
161.04556	4.3
163.04085	8.1
163.06146	13.0
163.07564	1.0
173.04427	0.8
173.08144	1.0
179.05588	0.7
181.07219	20.6
191.05614	2.8
203.09227	3.1
205.07193	4.0
227.07169	1.4
271.42575	0.7
325.11462	48.6
427.18295	60.7
487.44336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42625	2.2
52.77443	1.9
55.01909	2.2
56.80297	2.3
59.01389	100.0
61.98847	5.4
63.02418	1.8
69.03474	12.1
71.01385	74.9
73.02970	12.5
75.00877	8.9
75.81741	2.0
81.03459	2.5
83.01402	11.8
85.02982	13.8
87.00881	3.8
89.02454	73.9
91.96792	2.6
92.10787	7.5
93.03487	8.9
95.01363	2.7
96.95997	30.0
97.02959	13.1
99.00884	16.7
99.92616	5.3
101.02425	17.1
107.01416	4.8
109.18086	2.2
113.02456	9.8
115.00373	2.7
115.04047	9.6
116.92867	69.9
117.01965	3.3
119.05070	3.8
121.02948	22.9
124.05293	2.2
125.02450	35.1
130.01099	2.2
133.06619	27.6
135.04532	41.5
137.02454	3.5
143.62552	2.8
147.04543	2.6
148.51146	2.4
149.04573	4.7
151.00386	43.2
161.02444	4.9
161.04588	2.6
163.04037	29.2
168.00658	3.2
173.04596	11.4
178.06375	17.6
179.10825	17.0
191.05721	25.2
193.08676	11.6
233.06763	25.8
238.63321	2.2
287.05685	15.5
291.19382	2.6
293.08847	54.1
427.16052	3.4
449.10883	5.4
487.18265	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76350	0.7
55.01889	1.4
57.03460	1.6
59.01386	38.9
66.79505	0.7
67.39538	0.6
69.03474	0.8
71.01385	25.5
72.99307	0.8
73.02949	12.0
75.00909	0.9
80.91691	1.8
82.95437	1.2
83.01408	3.0
85.02956	9.9
87.00893	1.6
87.04513	1.4
89.02443	17.9
93.03477	1.2
96.96002	5.4
97.02972	1.1
99.00912	0.9
101.02449	26.8
101.06080	67.4
103.10495	0.7
108.87401	0.8
113.02455	8.6
113.06095	0.9
115.04019	0.9
115.07658	100.0
119.03522	3.5
119.05025	8.4
121.02969	3.1
125.02451	0.9
129.01970	1.5
131.03523	1.4
134.03755	1.1
143.07132	12.9
145.02972	3.8
149.06091	1.0
152.01173	1.1
155.07249	0.8
161.04561	3.3
163.04025	3.6
163.06134	6.7
173.08286	1.2
181.05724	1.1
181.07222	26.2
191.05638	4.8
191.07224	1.1
203.09258	4.5
203.50443	0.8
205.07066	1.1
211.07800	0.8
227.07231	15.1
235.06145	3.3
289.00900	0.8
295.85120	0.8
325.11478	10.5
389.12305	1.0
427.18265	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.4
55.63053	0.3
57.48584	0.4
57.77985	0.3
59.01394	8.8
59.27372	0.3
59.43689	0.3
61.98875	0.4
64.09702	0.3
71.01394	7.9
72.99321	0.6
78.95920	1.7
85.02975	2.2
85.79151	0.4
87.00900	1.0
89.02456	7.5
93.03464	0.5
96.96017	19.8
96.96991	0.9
101.02483	2.7
101.03027	0.4
113.02454	2.3
115.00405	3.1
117.03482	23.9
119.03526	1.6
119.05043	7.8
121.02983	2.0
128.03485	0.4
133.01430	5.5
135.04543	0.8
145.02974	100.0
146.03342	0.5
159.63980	0.4
163.04027	7.8
173.04608	0.6
183.14226	0.4
191.05609	1.9
191.07132	0.5
193.04985	0.5
227.07126	0.5
235.06139	1.0
241.78667	0.4
294.42435	0.4
307.08313	1.9
341.10895	2.0
487.14627	10.6
487.21072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	4.1
61.98799	0.6
69.05015	0.6
71.01402	2.9
80.91644	0.7
82.95429	0.9
85.02951	1.2
88.98814	0.9
89.02415	0.7
93.03453	1.6
96.95998	6.9
109.02953	1.5
115.00375	2.6
117.03470	2.6
119.05027	100.0
121.02918	1.6
123.04507	0.7
132.90701	0.7
133.01393	4.8
133.03021	0.7
134.89470	1.5
140.73645	0.7
145.02982	4.3
148.52194	0.6
161.06052	1.3
163.04019	77.7
165.01782	0.7
173.04570	1.6
191.05627	4.6
198.76428	0.6
205.05081	1.4
213.46942	0.7
289.07083	2.2
313.09357	1.0
325.09366	12.1
427.00977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.9
59.01394	2.0
59.66689	0.4
71.01384	23.1
72.99310	4.4
85.02978	1.6
87.00880	0.9
89.02466	3.0
101.02450	2.9
108.88702	0.4
109.04908	0.4
112.98840	0.4
115.00379	59.6
117.28487	0.4
117.48259	0.4
133.01439	100.0
134.01768	0.5
135.04533	0.6
145.01434	2.4
161.04597	0.5
172.44751	0.4
191.05656	11.3
313.09473	0.7
353.08917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79653	1.1
55.23619	1.1
57.03454	2.1
59.01392	17.7
62.24577	1.1
66.41383	1.3
71.01385	48.2
72.99316	17.3
73.00190	1.2
73.02954	1.4
75.00866	1.3
77.51250	1.2
85.02964	6.0
85.88084	1.3
87.00883	2.1
89.02460	5.2
93.03464	6.9
96.96023	1.4
100.54832	1.2
101.02402	1.7
113.02470	1.5
115.00391	27.8
116.92877	27.5
121.02970	100.0
123.04562	2.7
124.01691	2.0
125.02454	5.2
133.01448	17.5
134.03764	1.7
135.04539	5.5
135.11809	7.3
137.02484	1.5
143.03561	1.4
147.03093	1.5
149.99622	3.0
168.00626	6.0
173.04495	3.0
179.10808	29.6
191.05611	8.9
192.05954	2.0
197.71931	1.2
215.31142	1.1
223.09813	18.8
223.13347	2.3
266.05914	5.0
281.08307	2.3
286.04025	1.9
371.13504	43.9
449.09805	2.6
469.15851	1.8
487.14307	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	487.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96817	0.3
59.01396	8.8
67.21475	0.3
67.24872	0.3
71.01390	7.5
77.19978	0.3
78.28951	0.3
80.91695	0.5
83.01394	0.3
85.02972	1.8
87.00884	0.4
89.02453	6.5
93.03445	1.1
96.96001	4.7
101.02460	3.0
101.06131	0.3
105.20944	0.3
113.02471	1.8
115.00384	5.0
117.03475	22.7
118.71189	0.3
119.03604	2.7
119.05025	16.1
123.90079	0.3
133.01442	6.6
140.35457	0.3
145.02969	100.0
146.03328	0.5
148.05280	0.3
161.06090	0.3
163.04033	11.6
163.07678	0.4
179.05598	0.6
191.05614	4.0
193.05103	0.5
221.08290	0.6
278.82727	0.4
283.82922	0.3
300.98541	0.3
307.08304	1.4
341.10831	1.5
360.82516	0.3
487.14691	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	486.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.0
61.98839	100.0
63.45951	0.2
65.97456	0.2
66.79453	0.2
67.01887	0.2
68.18999	0.2
68.23332	0.2
71.01384	0.4
83.65684	0.2
87.00904	0.2
88.98814	0.3
92.24660	0.2
93.03457	1.2
99.00910	0.3
121.02991	0.4
130.49887	0.2
137.02516	0.3
139.65831	0.2
173.04503	1.3
174.04907	0.2
294.50497	0.2
413.51062	0.3
441.06723	0.2
450.14929	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05157	0.8
61.37299	0.8
62.68756	0.9
87.10084	0.9
146.76146	1.1
179.42015	1.1
200.86534	1.0
237.33629	1.1
258.31345	1.0
281.97882	1.1
358.76730	0.9
369.30313	1.0
409.31335	1.3
437.30994	1.7
455.31775	74.7
485.32910	100.0
486.33093	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	485.3278
Annotation	2-Hydroxyrubiarbonone E
Peak:m/z	Relative Intensity
55.87638	0.4
64.35009	0.5
66.26511	0.4
85.93864	0.4
86.26379	0.5
92.10096	2.4
93.27654	0.4
96.11266	0.4
103.21539	0.4
106.90637	0.4
122.40023	0.4
140.56419	0.5
148.34756	0.4
159.28636	0.5
239.30470	0.5
322.58835	0.5
379.30283	0.8
409.31149	0.9
437.30484	4.3
455.31747	59.9
456.31577	0.7
485.32791	100.0
486.33328	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	485.3642
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
56.53817	0.6
60.99307	0.6
71.05050	2.6
84.08822	0.6
87.29590	0.6
92.10105	1.8
92.66948	0.6
97.06577	10.7
114.84678	0.6
147.39354	0.6
167.44946	0.5
203.34727	0.6
220.62144	0.6
239.40131	0.6
255.23376	0.8
257.23978	0.8
373.25464	0.9
375.27051	0.7
389.28702	4.0
391.30215	5.4
405.31671	12.8
407.33234	13.1
423.28708	0.7
437.30920	1.0
439.32413	2.3
441.33878	10.8
451.32306	42.5
453.33823	100.0
454.33820	1.2
471.34885	6.3
485.28864	0.9
485.36633	21.0
497.32770	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	486.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	3.4
57.03472	2.2
58.00622	1.4
59.01389	95.2
62.58761	0.7
69.03464	9.3
70.46391	0.7
71.01386	100.0
72.99317	3.9
73.02950	16.1
78.95930	1.5
79.95741	0.8
81.03477	4.9
81.37882	0.8
82.40573	0.9
83.01398	10.2
85.02955	28.0
87.00881	1.7
89.02444	86.6
90.09107	1.0
93.03477	4.2
95.01408	2.0
95.71791	0.9
96.96010	59.7
96.97003	3.3
97.02945	12.2
97.95969	1.1
99.00883	6.5
101.02448	28.5
111.00890	1.6
111.04558	1.0
113.02461	24.2
115.03980	1.4
119.03517	1.2
121.02994	1.4
125.02451	28.2
131.03551	18.3
135.04539	1.1
138.02844	1.1
139.04025	1.1
143.03537	8.8
149.04573	21.4
159.03029	4.2
161.04597	24.6
173.04648	1.1
175.04025	1.0
188.05647	4.5
190.28439	1.0
191.05640	21.1
192.06001	5.1
233.06670	6.8
293.08856	96.8
294.09842	3.8
305.00012	0.9
344.14273	1.0
413.04694	1.1
426.14157	24.5
486.16626	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	485.328
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
57.11411	0.6
96.59774	0.8
112.02553	0.7
128.50766	0.7
178.62717	0.8
221.70641	0.9
255.58527	0.9
441.33548	1.3
455.25375	1.5
455.31772	42.4
459.63864	0.9
462.87943	0.9
467.31674	4.3
485.32843	100.0
486.33319	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	485.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56583	0.2
55.34750	0.2
55.90170	0.2
63.36671	0.2
75.87578	0.2
76.33019	0.2
79.02322	0.2
80.32060	0.2
80.51909	0.2
87.57133	0.2
145.02013	0.2
321.88953	0.3
469.31876	0.3
472.94214	0.3
485.32806	100.0
486.33160	2.1
490.29788	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3283
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
57.49063	0.3
59.01402	0.7
59.43216	0.3
61.98842	0.5
71.28651	0.3
90.65656	0.3
91.06565	0.3
97.06633	0.4
105.20719	0.4
116.92888	1.4
158.52843	0.3
187.39552	0.4
233.41360	0.4
397.31332	0.4
423.33292	0.8
439.32248	5.9
441.30042	1.8
455.32013	0.7
485.32971	100.0
486.33304	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	485.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03114	0.6
56.39714	0.6
59.01388	100.0
59.68772	0.7
61.98837	1.4
62.13359	0.8
70.56778	0.7
71.01383	9.1
73.02966	5.2
76.18073	0.7
82.95413	8.9
83.43724	0.8
85.02969	4.2
89.02456	3.0
91.33916	0.8
93.03448	2.7
93.88885	0.9
95.37810	0.8
101.02464	5.1
113.02452	3.4
121.02975	1.6
135.04559	1.3
160.01933	0.8
163.73763	0.9
173.04601	3.7
209.11835	1.0
210.96605	1.0
218.26555	0.8
231.76196	0.8
234.54898	0.9
240.55649	0.8
272.89764	0.9
292.93701	1.0
345.72345	0.9
381.22946	1.1
399.23969	3.4
445.00198	0.8
485.23450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73642	0.8
54.97787	0.9
55.01903	1.1
59.01386	100.0
60.44530	1.2
66.55840	1.2
69.03442	0.9
71.01382	35.3
72.99310	1.6
73.02945	36.5
75.77560	0.9
77.47382	1.1
78.95917	1.6
82.53325	1.0
83.01393	11.9
85.02965	11.6
87.00874	26.8
89.02441	19.3
95.01414	1.0
96.96008	12.2
99.00882	1.4
101.02447	39.3
109.02976	1.1
113.02468	18.8
119.03505	7.1
119.43620	1.1
123.04536	10.6
125.02437	2.2
143.03519	6.8
149.04543	2.5
149.68427	1.0
153.02026	1.1
153.05609	13.2
161.04567	12.2
179.05621	5.6
191.05663	5.1
221.06656	5.5
231.05220	1.1
301.51480	1.0
305.08914	1.2
323.10001	6.0
341.10965	6.3
365.10898	11.9
383.12009	35.3
400.66013	1.3
425.12958	24.8
447.15317	2.1
485.18188	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14597	0.9
55.01897	5.6
57.03461	5.9
58.00606	1.2
59.01387	86.0
69.03457	1.7
71.01385	81.6
71.05036	2.4
72.99326	7.0
73.02953	20.2
74.84722	1.2
75.00889	2.2
78.95933	2.2
83.01398	12.4
83.05045	2.7
85.02956	33.2
87.00895	7.6
89.02442	43.2
93.03476	1.5
95.01401	6.2
96.96028	9.7
97.02953	2.7
99.00873	9.4
99.64749	1.2
100.00088	1.2
101.02436	57.3
101.06091	10.4
108.02202	10.1
109.02937	1.7
109.46041	1.2
111.00880	1.5
113.02453	37.2
115.00381	6.6
119.03518	15.5
125.02444	7.4
129.01945	1.7
131.03564	2.4
133.01436	12.9
143.03479	6.3
149.04552	2.3
152.01184	6.9
157.07686	5.9
159.03075	5.1
161.04561	25.6
179.05699	10.5
179.40894	1.2
191.05637	6.6
229.17413	1.3
263.11389	15.4
276.64774	1.3
315.07297	6.7
323.09872	6.1
425.16730	100.0
426.16977	1.6
435.47064	1.3
485.18073	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65056	0.3
64.34955	0.3
73.14112	0.3
78.95902	19.2
88.03260	0.3
96.96986	2.1
111.02264	0.3
114.26994	0.3
138.07550	0.4
152.99606	29.9
171.00665	1.8
227.03214	3.1
245.04315	0.6
250.86557	0.3
255.23334	100.0
256.23712	0.5
371.00253	0.4
391.22305	0.4
483.27359	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	483.2736
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
53.39585	0.2
59.31134	0.3
60.41817	0.3
67.89334	0.3
71.15536	0.4
78.95907	8.2
81.79619	0.3
85.33073	0.3
87.54867	0.3
96.96980	0.7
150.51591	0.3
152.99611	13.8
153.00795	0.7
171.00685	1.4
187.48912	0.4
227.03296	1.8
245.04390	0.8
255.23346	100.0
256.23596	0.5
483.27377	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.31
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25023	6.1
67.38927	7.5
85.55443	6.5
92.10731	6.9
106.32826	7.9
109.82408	6.1
142.41946	7.3
143.56805	7.0
181.15518	6.9
283.26425	100.0
483.31097	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	483.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04034	0.7
55.01894	0.9
59.01400	8.3
59.01650	0.7
61.57322	0.8
61.98829	1.5
62.45672	0.8
71.01398	4.9
72.00912	10.1
73.64547	0.7
74.02471	14.8
85.02977	1.3
89.02444	1.8
96.96030	8.7
101.02455	1.4
113.02446	1.1
116.05064	46.4
116.92842	1.3
119.05059	1.0
123.51068	0.9
128.95142	0.9
130.06638	0.9
142.06636	13.4
159.09320	12.7
173.53920	1.0
186.05711	1.8
191.05618	1.2
203.08293	100.0
204.08524	1.4
261.00916	1.3
272.10236	1.1
273.10342	1.5
388.41660	1.0
423.22394	1.0
483.17435	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20590	0.8
54.82938	0.8
55.01890	5.1
57.03469	3.9
58.00608	1.0
59.01386	100.0
69.03469	1.3
71.01382	79.6
72.99291	1.8
73.02946	19.6
77.06466	0.9
83.01386	10.1
85.02949	27.4
87.00887	5.9
89.02444	72.4
95.01398	5.1
96.96026	1.7
97.02988	1.0
99.00883	4.7
101.02442	60.3
101.03096	2.0
113.02454	33.5
114.26502	1.0
119.03496	27.9
121.02990	1.2
125.02460	3.8
129.01920	1.0
131.03517	8.0
143.03546	5.4
149.04503	1.2
159.03011	1.5
161.04559	20.5
165.73866	0.9
179.05626	42.7
191.05641	5.0
221.06642	12.8
245.60246	0.9
261.13406	4.2
303.50162	0.9
312.25110	1.1
410.88791	1.1
423.18808	81.7
424.18979	1.1
446.35709	0.8
461.86102	0.9
479.68436	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2013
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
51.59907	6.7
56.55503	7.2
59.01388	72.6
61.98839	14.5
69.63213	7.2
71.01414	17.0
82.95442	9.9
89.02460	48.4
101.02485	13.0
103.95447	7.3
119.03488	8.1
121.02969	16.9
128.13908	7.8
135.04535	42.2
169.10289	9.2
179.03534	18.4
181.08710	100.0
259.13492	8.6
447.22351	75.2
470.65540	8.3
483.20178	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2012
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
56.49996	3.3
59.01396	41.9
61.98849	15.2
71.01400	25.4
73.02975	6.6
74.40668	3.8
78.95927	4.5
80.37096	4.5
82.95435	5.2
84.90215	3.9
84.95111	4.8
85.02980	20.5
87.00848	3.7
87.56155	3.2
88.98823	5.2
89.02478	3.8
100.27255	3.7
101.02437	15.5
113.02453	5.1
121.02975	18.6
133.01443	4.4
135.04550	100.0
138.52989	4.5
139.04054	4.3
161.04591	5.4
161.10927	4.5
173.04597	4.7
177.01793	4.0
179.03549	16.5
191.05685	7.4
201.73752	4.6
206.41168	3.9
217.05183	8.3
247.09883	5.2
290.25745	4.4
307.11716	5.3
383.88669	5.3
404.15030	4.4
428.98593	4.0
445.11395	6.0
447.22339	52.3
483.20041	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20002	2.2
57.03443	2.9
59.01390	66.8
60.16784	2.3
61.98827	23.8
67.01889	3.0
69.03438	2.5
71.01392	17.3
73.02945	5.3
82.95440	13.1
83.05054	2.7
85.02968	10.4
87.00905	3.0
89.02445	5.6
93.03458	29.5
96.96043	5.5
101.02446	12.4
111.04519	4.7
113.02462	4.6
115.83850	2.2
117.03504	3.6
119.05033	28.0
121.02970	38.8
121.22132	2.9
135.04492	11.2
137.02452	6.2
145.03004	5.9
149.04607	3.4
163.04022	20.7
173.04578	100.0
191.05580	17.0
208.48216	2.9
301.02881	2.8
315.33466	3.8
337.09384	37.5
447.22141	34.0
458.31696	2.8
483.19794	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.0
59.33966	0.1
61.07679	0.1
61.98834	3.3
62.59090	0.1
69.03471	0.6
71.01382	1.9
72.75958	0.2
72.83583	0.1
73.02946	0.7
80.43688	0.2
81.03447	1.7
85.02951	2.2
87.00840	0.2
93.03460	1.9
94.89806	0.2
95.01388	1.6
96.95998	0.2
99.00879	0.2
101.02463	0.3
108.02184	100.0
109.02965	36.7
111.04585	0.2
113.02457	0.7
113.09756	0.3
119.05042	1.5
121.02956	3.2
123.00864	1.2
123.04524	1.1
125.02455	0.3
125.09717	0.2
133.02963	0.3
135.00902	0.9
135.04526	1.2
137.02431	0.7
144.99847	0.2
145.03011	1.4
151.04021	0.9
152.01169	62.6
153.01955	15.8
155.03514	0.4
163.04041	2.2
163.85915	0.2
165.01952	0.7
173.04529	1.5
174.98909	0.2
185.10182	0.4
185.11848	9.8
191.05667	1.2
199.07722	0.3
319.08307	0.3
320.12738	0.2
423.22681	0.3
483.18814	63.8
484.19022	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.1
59.01384	17.7
63.48263	0.7
64.50674	0.7
71.01384	17.0
73.02953	4.4
74.17821	0.7
75.00891	3.8
85.02987	4.5
87.00911	1.3
88.98822	0.7
89.02436	13.0
93.03484	1.4
93.54882	0.7
95.01469	0.8
96.96013	1.8
97.02958	1.5
99.00886	0.9
101.02448	12.5
113.02470	8.2
115.04038	1.7
119.03510	1.8
119.05016	1.4
121.02961	100.0
131.03604	0.9
135.03009	1.6
135.04535	50.9
138.05608	4.0
139.07758	1.0
161.04594	1.7
163.04031	8.5
163.06206	8.5
163.39047	0.7
164.04387	0.7
167.10780	1.1
173.04642	0.9
173.08163	1.1
175.78706	0.8
179.05611	0.8
181.07195	10.0
191.05611	3.1
205.07198	1.8
223.06215	0.9
247.08321	1.5
283.08197	0.9
321.57385	0.8
325.11481	36.4
326.12292	1.4
447.15167	35.6
483.12039	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	483.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77912	0.9
57.03454	0.8
57.77758	0.8
58.46516	0.9
58.61895	0.9
59.01390	11.7
70.12669	0.9
71.01389	8.6
73.02969	1.5
74.82446	0.9
75.03303	1.1
82.67715	0.9
83.01477	1.1
85.02975	5.2
89.02459	5.6
92.10803	2.2
101.02429	13.0
103.77657	0.9
110.02408	1.0
113.02489	2.0
114.23904	1.0
119.03519	1.1
121.02960	100.0
135.04527	40.6
161.04562	1.1
163.04008	1.9
163.06136	9.0
181.07240	8.5
181.87473	1.0
196.39201	1.0
205.07129	3.8
325.11444	54.7
447.15161	39.0
481.32785	1.2
483.12311	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	482.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04972	0.4
61.98837	100.0
63.36868	0.4
65.39372	0.5
72.75705	0.4
75.74799	0.5
107.20116	0.5
111.02338	0.4
216.83264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.4
60.94166	0.5
68.99598	0.8
82.44572	0.6
85.02974	0.6
93.03480	0.7
96.96008	12.7
105.38599	0.5
107.01384	0.9
108.02194	0.8
109.03000	1.4
119.05026	3.0
121.02956	1.5
132.02173	0.8
151.00400	1.4
153.16937	0.5
157.52881	0.7
191.05632	5.3
192.05933	2.4
194.63989	0.7
211.03955	0.8
213.05579	0.9
218.08185	0.6
227.03535	62.9
229.05070	4.9
255.03027	88.5
256.03738	7.5
257.04529	2.9
284.03299	91.7
285.04095	35.8
285.06818	0.9
447.09415	100.0
448.09763	1.4
483.15201	1.3
506.52451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13946	1.0
54.18292	0.7
54.83150	0.9
59.01389	1.1
60.19662	0.8
61.98821	0.8
63.97664	0.8
74.54107	0.9
78.95903	72.0
86.55783	0.9
92.10120	1.0
96.96938	7.1
127.28310	0.9
152.99600	100.0
171.00641	20.1
213.30905	0.9
227.03372	6.7
242.20834	1.0
245.04324	55.7
253.21774	35.4
342.48209	1.1
448.47336	1.0
481.25790	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45247	1.0
66.39827	1.2
72.21611	1.0
75.49542	1.1
77.74805	1.1
78.95905	60.2
86.08183	1.1
96.96965	6.2
100.16219	1.2
140.48517	1.1
152.99597	82.5
171.00659	28.8
196.84253	1.2
227.03151	1.9
245.04330	100.0
253.19165	2.3
253.21758	59.3
382.41049	1.2
481.25806	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	482.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
61.98840	11.8
61.99158	0.4
71.01400	0.5
81.03459	0.6
85.02968	0.4
92.10857	0.6
93.03452	1.3
105.00638	0.3
108.02197	100.0
108.17928	0.3
109.02983	16.1
113.85498	0.4
121.02956	4.4
123.04552	0.5
125.02486	0.4
133.03012	0.7
135.00887	0.5
135.04520	1.3
137.02428	0.4
151.04031	1.6
152.01180	51.8
153.01967	14.7
163.04012	0.8
173.04591	0.5
191.05652	1.2
314.32733	0.4
419.09937	58.6
420.10428	0.5
482.17923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.6
57.03465	2.4
58.00601	1.2
59.01388	100.0
61.98846	4.2
68.99586	3.1
71.01385	44.3
72.99320	4.0
73.02950	10.6
75.00878	30.8
78.95918	2.4
83.01414	1.7
85.02956	12.2
87.00871	2.8
88.37477	1.0
89.02445	43.9
93.03461	2.1
94.24347	1.0
95.01387	4.6
95.04987	1.2
97.02959	4.8
97.06609	1.6
99.00858	1.7
101.02444	22.4
109.02982	5.2
111.04556	4.5
112.05330	1.1
112.98620	1.5
113.02453	16.7
113.06107	2.0
115.07639	4.9
119.03511	14.1
121.02976	10.3
125.02463	1.3
125.09760	2.4
127.07636	2.2
131.03540	1.3
134.07417	5.3
137.02397	2.4
137.09709	1.3
139.04063	3.4
139.07669	1.7
139.11404	1.0
149.09749	32.7
151.07642	1.5
153.01956	6.3
153.09233	1.6
155.10829	1.7
161.04562	7.4
165.01918	9.5
165.09244	1.2
167.07159	6.2
167.10797	40.2
169.08701	4.6
179.05635	11.8
183.02963	1.3
191.05630	5.6
195.12688	1.0
205.12372	4.6
207.10307	1.5
209.04517	1.2
220.26692	0.9
223.13351	1.5
225.11317	3.9
259.15598	12.3
263.06015	1.0
319.13834	1.1
359.07278	1.3
421.20877	96.8
464.24643	1.1
481.10751	4.0
481.20071	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82779	1.0
60.38798	1.0
66.81887	0.8
78.95424	1.5
78.95900	57.0
96.96965	5.4
152.99599	79.3
159.33640	1.0
162.13841	0.9
164.17581	0.9
171.00642	26.5
227.03282	2.0
245.04340	100.0
253.21742	54.0
481.25809	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76816	0.5
53.49107	0.5
54.52425	0.4
57.03468	1.1
59.01392	100.0
61.98856	3.0
71.01391	10.1
72.99363	0.8
73.02980	0.9
78.95920	2.9
85.02982	2.4
87.00887	0.8
88.98805	0.5
89.02451	13.7
92.10742	1.2
93.03472	3.5
95.01392	0.7
96.96015	24.1
96.96997	3.3
101.02451	5.1
109.02911	0.6
109.11315	0.6
113.02470	4.7
116.44492	0.6
116.92892	1.1
117.05589	0.8
119.03497	5.3
123.08144	1.2
130.08746	0.6
135.03073	0.7
135.08199	2.0
136.01672	0.7
137.02502	4.5
143.03505	0.8
147.04491	0.9
153.01942	1.0
161.04550	1.1
164.07237	1.1
179.05589	5.4
187.11000	0.8
191.05577	1.0
193.50580	0.6
201.12503	0.6
213.05716	0.9
241.05093	5.1
256.07425	2.9
271.09659	5.2
323.42859	0.6
421.21152	4.0
481.23386	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18402	0.1
57.03458	0.2
59.01390	2.5
60.41590	0.2
60.59846	0.1
60.99323	0.3
61.98843	0.2
64.32832	0.1
67.01891	1.2
69.03478	0.2
70.41000	0.1
71.01370	1.3
73.02953	0.7
80.91689	0.3
81.03468	0.6
83.05043	0.4
85.02955	11.3
87.00877	2.9
90.57978	0.2
93.03456	8.0
96.74290	0.1
99.00901	0.2
99.04524	0.4
101.02451	0.2
108.02213	0.3
109.02954	2.7
111.04533	1.8
113.02444	0.2
115.93310	0.2
119.05003	0.2
121.02956	0.4
122.03715	0.2
127.04005	2.7
129.01932	0.3
135.04533	0.9
137.02448	0.4
143.03488	0.2
153.01877	0.2
155.03548	0.6
165.01897	0.3
171.03014	0.8
172.05307	0.7
173.04553	3.5
173.05991	0.5
177.04115	0.2
179.03456	0.2
184.05440	0.2
187.04050	1.1
187.07639	2.3
191.05640	100.0
192.05940	0.9
197.06094	0.4
198.06712	0.3
201.05580	0.3
202.06409	2.9
213.09251	1.9
215.07323	0.2
215.55522	0.2
222.50584	0.2
227.07178	0.2
231.10294	3.1
257.08328	0.4
271.02512	0.7
275.09302	1.4
289.10898	0.3
300.02722	0.7
301.03363	0.2
449.14633	10.0
450.15240	0.2
481.17432	1.1
481.26715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48223	0.7
52.15649	0.8
59.01394	1.6
69.03477	1.1
69.19724	0.8
71.01387	5.2
73.02949	1.6
75.07864	0.9
78.05762	0.8
81.03463	2.1
83.01402	1.0
85.02972	5.7
85.08553	0.9
92.10191	1.4
95.01395	2.1
99.00909	0.9
101.02453	1.7
108.02180	100.0
109.02959	73.5
113.02468	1.5
121.02945	1.6
123.00881	1.4
139.11310	4.2
152.01163	91.2
152.39609	0.9
153.01942	20.9
163.04036	1.0
165.01970	1.3
183.10284	1.2
191.05641	1.2
232.74852	1.1
315.07471	1.9
333.91782	1.2
336.98547	1.0
474.28003	0.9
481.17245	95.4
482.17361	1.1
501.07477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51847	1.2
55.01883	1.4
57.03462	9.5
58.06526	1.3
58.38993	1.4
59.01388	39.2
59.01658	3.0
69.03461	8.3
71.01383	29.1
72.99330	7.4
73.02948	3.6
75.00870	32.4
75.49767	1.5
81.03442	1.8
83.01381	2.7
85.02961	29.5
87.00878	13.6
88.98808	2.8
89.02447	9.7
93.03449	15.3
95.01399	2.1
96.96030	3.4
97.02968	7.7
99.00893	9.0
101.02457	8.6
108.02199	10.5
108.04626	1.8
109.02957	7.4
111.00918	1.6
111.08110	1.6
112.04086	1.9
113.02444	2.6
119.04987	2.4
121.02979	3.7
122.06198	2.1
124.07751	1.8
125.09743	2.3
127.04032	3.0
129.01952	14.2
135.03046	2.1
136.07733	3.7
137.02473	9.6
137.09761	10.8
141.01982	6.8
152.01149	8.5
153.01871	3.5
155.10797	76.4
159.03026	8.5
166.05063	10.1
167.05484	5.9
168.06703	2.3
171.10284	35.2
173.04567	2.2
177.04066	47.7
187.07674	3.0
191.05640	100.0
195.05112	3.1
199.09778	17.6
205.87611	1.8
209.11856	1.8
217.10854	73.3
241.10802	1.8
259.11844	10.9
315.07175	2.8
316.07581	3.1
333.15347	1.7
349.15009	2.0
359.13513	1.9
377.14581	16.6
395.15637	9.9
406.77930	1.9
419.15723	15.9
437.16724	70.0
449.14597	10.0
481.11951	2.8
481.18292	9.5
481.25900	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	481.113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13188	1.6
52.22984	1.4
55.01905	2.1
55.07821	1.8
57.03469	5.0
59.01391	30.7
60.36389	1.7
60.36687	1.9
61.98861	2.5
64.34884	1.7
71.01388	34.1
71.05035	13.9
72.99347	2.7
73.02946	14.3
75.00904	13.9
78.37369	1.7
83.01397	3.4
83.05051	2.6
85.02969	43.7
85.41282	1.8
87.00896	7.9
88.98826	8.1
89.02467	10.7
93.03468	9.8
95.01402	11.0
95.05041	31.6
97.02935	41.2
101.02446	34.5
105.34711	2.2
108.02185	14.4
109.02972	79.8
109.49299	2.0
111.04585	2.6
113.02451	76.0
115.04041	9.2
119.03545	2.8
119.05013	11.7
120.98341	1.9
121.02962	72.6
121.24419	2.3
129.22598	2.2
131.03532	22.1
135.04543	27.9
137.02496	14.1
137.09755	2.0
139.04021	100.0
142.03763	1.8
143.03548	3.2
152.01208	10.9
153.01958	96.9
155.10794	36.2
161.04549	28.3
163.04036	13.9
165.01944	38.0
171.10266	8.3
177.04108	2.8
183.03004	66.0
191.05667	16.7
198.88185	2.0
199.09766	7.7
201.11418	8.0
209.11824	16.8
217.10901	15.0
259.11871	3.2
271.05948	2.3
283.08286	3.5
315.07254	45.9
318.87869	1.9
325.09558	3.0
340.06461	2.4
363.16806	3.5
427.35532	2.3
427.76950	2.3
437.16592	5.0
445.13599	4.0
462.34357	2.2
481.10794	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	480.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
61.98837	100.0
66.39935	0.2
71.01380	0.5
72.99314	0.5
73.02966	0.3
75.00845	0.2
78.77014	0.2
85.02939	0.2
89.02460	0.3
96.96033	0.3
119.26996	0.3
121.02955	4.3
122.03288	2.3
123.03452	0.4
135.04501	0.8
136.04819	0.4
191.05690	0.5
420.14798	1.0
451.35599	0.3
477.76855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30234	0.1
59.01401	0.3
61.98844	100.0
64.82249	0.1
71.01395	0.6
73.01814	0.1
82.94330	0.2
101.02432	0.2
121.02954	2.7
122.03272	1.3
123.03503	0.2
135.04546	0.3
136.04848	0.2
151.52563	0.2
153.06604	0.2
159.40871	0.2
184.60301	0.2
191.05618	0.2
261.91916	0.2
333.34973	0.2
420.14832	0.2
465.65073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19136	0.1
56.72815	0.2
59.01377	1.3
61.98837	100.0
63.99246	0.2
64.90150	0.2
69.27377	0.1
69.50638	0.2
71.01399	0.7
73.02959	0.2
76.71307	0.1
82.24192	0.1
82.54393	0.1
92.83792	0.2
101.02457	0.2
107.05047	0.2
109.02979	0.2
117.13935	0.2
121.02957	1.0
122.72953	0.2
135.04529	0.2
148.42749	0.2
159.27495	0.1
163.03999	0.4
164.04298	0.2
191.05664	0.3
191.11833	0.2
193.08635	0.2
360.57733	0.2
420.26151	0.6
434.19778	0.2
481.17273	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3102
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
56.53440	0.7
57.70536	0.8
58.48484	0.7
61.98838	5.1
65.88400	0.8
78.95898	17.9
89.09959	0.8
92.10744	1.9
93.79985	0.8
98.17343	0.9
116.53082	0.8
128.77594	0.8
135.92542	0.8
137.64735	0.7
137.65993	0.9
140.01205	5.7
152.99472	0.9
159.61427	0.9
166.06487	0.8
196.03806	8.8
205.92006	1.0
214.04909	1.0
272.43039	0.8
283.26450	100.0
346.98682	0.9
435.48843	1.0
470.38437	0.9
480.31036	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	3.1
59.01392	100.0
61.98824	2.6
68.99596	9.2
71.01397	40.0
72.99316	2.3
73.02969	3.6
75.00897	2.1
76.46178	1.7
78.95925	2.0
85.02984	11.0
87.00874	3.1
89.02465	37.1
93.03447	3.3
95.01355	1.9
97.02963	3.1
99.00891	2.5
101.02461	23.4
109.02935	2.4
109.06617	2.0
111.04562	2.7
112.05334	2.1
112.98601	4.4
113.02464	17.0
113.06147	2.9
115.07641	1.9
119.03522	15.5
121.02967	50.4
131.03568	2.6
133.02919	2.0
135.78012	1.8
137.09749	2.8
139.04036	2.1
143.03539	2.2
149.09738	41.1
151.07628	2.8
153.01891	2.5
161.04584	7.8
165.01939	9.4
167.07130	2.2
167.10800	36.3
169.08716	7.4
179.05614	18.5
191.05569	8.6
225.11388	2.8
259.15704	4.9
323.10007	4.3
359.07703	11.9
421.20932	70.3
445.13455	2.5
478.20895	2.0
481.11057	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	479.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82875	4.2
59.01380	9.4
61.98853	6.3
74.82255	3.9
111.16103	4.1
114.39900	4.1
182.78954	4.9
279.23343	100.0
283.47089	4.8
350.04776	5.1
377.08569	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	479.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07910	0.3
52.69072	0.4
59.01389	2.8
60.58486	0.5
61.39896	0.4
71.01389	1.7
85.02962	0.7
91.76694	0.5
101.02433	4.0
113.02491	0.5
125.04958	0.5
137.69633	0.5
140.68329	0.5
149.03987	0.4
157.50577	0.4
163.06119	5.4
181.07195	0.7
222.93517	0.4
228.08176	0.5
255.23326	100.0
256.23828	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81944	3.7
59.01398	10.3
59.65846	3.6
60.60875	4.0
74.56905	3.8
80.28524	3.4
89.73799	4.1
95.05030	4.5
115.65971	4.6
121.02986	5.4
122.03720	5.9
123.08207	6.5
136.05298	46.6
151.07649	100.0
176.39072	4.9
201.47032	4.8
395.79153	5.5
419.35251	68.8
479.37796	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	480.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15017	0.7
59.01386	15.8
61.98838	100.0
68.00813	0.7
71.01405	3.5
85.02972	1.3
96.96011	21.9
115.92101	1.3
116.42027	0.9
116.92860	6.7
119.07054	0.9
121.02958	72.6
121.07027	0.8
133.06587	1.5
134.06912	1.0
161.04568	1.1
191.05580	1.2
417.12057	9.2
419.26639	1.7
420.27203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98837	7.0
64.34608	0.2
71.01388	0.6
75.00908	0.3
78.95929	0.3
85.02976	0.4
86.45610	0.3
93.03448	1.4
94.16010	0.2
95.01360	0.4
96.02718	0.3
96.96006	0.6
101.02459	0.4
107.05038	1.1
108.01444	0.2
108.02195	0.5
109.02975	0.6
113.02420	0.4
119.03536	0.3
119.05007	0.3
120.02159	1.1
121.02959	1.9
123.04514	1.2
126.87484	0.3
135.00940	0.4
135.03003	0.4
135.04514	1.4
137.02467	1.9
138.03265	3.9
142.05020	0.3
153.05592	32.5
163.04016	0.3
173.04597	0.4
179.03479	0.4
191.05682	1.0
212.03198	0.3
223.93021	0.3
479.11841	0.5
479.28802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.5
59.01397	18.4
59.29116	0.8
61.98838	3.4
67.01891	1.0
71.01393	13.4
73.02963	5.0
75.00908	2.1
80.03452	0.8
81.03449	1.3
83.01405	1.6
83.05062	1.2
85.02962	9.5
87.00892	2.0
87.04542	4.4
88.98885	0.8
89.02440	7.0
90.41566	0.7
91.01907	15.7
92.10754	1.2
93.03455	8.3
95.01394	1.1
96.96008	0.8
97.02914	1.1
99.00860	1.2
99.04532	1.0
101.02430	7.2
107.05077	1.1
109.02973	8.8
113.02444	3.9
119.03480	1.4
119.05074	1.0
121.02970	4.9
125.02434	3.7
127.04037	1.0
135.00876	10.3
135.04518	3.3
135.05537	0.9
135.06627	1.7
135.08160	3.4
137.02451	10.2
137.09724	16.8
149.99561	2.0
150.43536	0.8
151.04051	6.6
153.01942	15.3
155.10800	100.0
168.00627	1.3
169.12367	3.4
173.04482	1.5
178.99866	23.0
180.00288	0.9
181.08734	1.5
181.66309	0.9
191.05653	19.6
195.02969	3.4
197.00923	5.2
199.09802	27.4
205.30183	0.9
207.10237	1.6
211.07782	1.1
213.11342	1.3
225.11310	1.0
241.10837	8.2
243.12288	1.3
289.62976	0.8
323.04041	3.5
341.05188	12.8
347.66019	1.1
374.09335	0.9
375.92050	0.8
390.65396	0.9
479.08859	7.4
479.10040	7.5
479.21426	87.0
480.09229	1.2
480.21652	1.2
491.26550	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13766	0.5
55.34078	0.7
59.01387	100.0
61.98841	13.3
65.07037	0.6
71.01389	3.2
73.02951	1.1
75.73726	0.6
78.95918	0.9
85.02973	2.8
87.00888	1.2
93.03466	6.6
96.96026	0.9
99.00891	0.7
99.18944	0.6
101.02478	2.6
107.05042	3.0
108.02182	7.0
109.03015	1.2
113.02448	0.9
121.02958	15.7
123.04532	8.9
135.00902	1.3
135.04471	0.9
137.02454	3.0
145.02989	1.1
151.04022	2.4
160.47153	0.6
167.03462	0.9
173.04530	0.7
191.05598	4.9
193.05244	0.6
225.05606	5.8
242.05902	0.8
247.79015	0.7
257.08240	38.2
295.52823	0.7
345.88251	0.7
408.33035	0.6
419.26700	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	479.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03491	0.4
59.01394	11.9
61.98846	8.1
71.01386	4.9
73.02959	0.7
75.00881	0.5
78.95947	0.6
80.05065	0.5
83.01389	0.4
85.02988	1.0
87.00902	3.0
89.02439	4.2
91.01915	0.5
93.03449	3.6
99.00877	0.8
101.02454	2.3
102.27334	0.4
107.05043	4.0
109.02998	1.6
113.02477	0.6
117.03503	0.8
119.05054	0.7
120.08509	0.4
121.02954	12.8
123.04534	0.8
124.01666	0.9
124.04074	1.1
125.02501	0.6
133.02916	0.5
134.03754	23.5
135.04536	100.0
136.04831	0.6
137.02466	1.6
145.02954	0.8
149.04675	0.5
149.06128	0.6
151.00401	0.5
152.04771	0.5
153.01920	0.7
163.04030	1.6
165.99187	0.6
168.03044	0.6
168.36729	0.4
170.94437	0.6
173.04576	1.0
177.05519	0.5
179.03539	0.6
191.05586	5.3
193.05157	0.5
193.98599	2.7
197.00932	0.6
207.14531	0.5
216.76956	0.4
255.02945	0.7
285.04169	0.8
401.12341	1.0
411.33127	0.5
461.07275	0.7
470.33777	0.5
479.08957	3.0
479.20142	0.6
492.58902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
58.00605	0.8
59.01390	20.3
61.98834	14.2
63.98521	0.7
69.03440	0.9
70.58693	0.9
71.01392	9.1
73.02959	3.3
75.00887	2.2
82.95443	1.4
85.02986	5.0
87.00912	1.6
89.02477	5.2
91.01884	2.8
93.03487	3.9
99.00893	1.1
101.02456	5.0
106.47286	0.9
108.02201	3.8
109.02989	1.8
113.02453	6.1
114.39388	0.9
117.02776	1.0
117.03475	7.5
119.03484	1.6
119.05039	6.0
121.02969	100.0
124.01707	1.1
125.02466	4.5
126.02813	1.7
129.01994	1.1
130.24533	1.0
133.03018	3.2
134.03807	1.0
135.00928	1.1
135.03026	1.6
135.04544	55.9
137.02455	9.7
138.03320	1.5
145.02989	22.7
146.03806	7.4
147.04529	6.9
147.43108	0.9
149.06119	12.4
149.99605	4.2
151.04082	3.4
153.02020	1.7
155.10806	5.2
161.02470	25.9
161.04475	1.1
162.03261	25.4
163.04077	9.8
168.00702	4.8
169.01218	1.0
170.01036	0.9
172.05359	0.9
173.04594	2.0
177.05536	8.2
178.99907	7.3
179.05743	1.1
180.04341	1.8
188.23505	1.0
191.05646	15.4
195.06718	1.3
197.00891	6.2
212.03351	1.5
216.71980	0.9
223.06068	1.0
242.34624	0.9
339.10876	0.9
355.05939	0.9
361.18781	1.6
379.77835	1.1
419.22858	1.1
443.15652	1.0
479.11230	14.7
479.21356	4.2
491.32867	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	479.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23276	1.0
53.65384	1.1
57.03455	2.1
59.01389	49.9
60.99313	1.1
61.98836	63.1
68.79302	1.1
69.03457	1.4
71.01391	16.7
72.99322	2.1
73.02959	6.8
75.00880	2.9
83.01401	5.1
85.02965	12.4
87.00892	5.5
88.98775	11.1
89.02442	2.9
90.98598	7.8
91.01923	2.0
92.10168	1.7
93.03461	6.3
99.00915	1.9
101.02436	11.8
108.02157	1.4
113.02457	6.1
117.03468	5.3
119.05003	5.2
121.02964	100.0
121.94033	1.2
122.03716	1.8
124.01691	2.1
125.02450	5.2
134.03760	2.0
135.04535	49.0
136.01654	1.9
137.02440	20.4
138.03268	1.7
139.04042	4.9
145.02980	19.5
146.03751	5.6
147.04524	5.5
148.56886	1.2
149.02434	1.4
149.06125	5.3
149.99602	2.1
150.03244	5.3
151.04010	9.9
153.01918	1.8
155.10797	15.6
161.02463	20.8
162.03264	23.5
163.04007	7.6
165.05560	2.4
168.00645	6.2
173.04576	5.6
177.02026	1.2
177.04025	2.1
177.05565	6.4
178.99869	5.8
179.03566	2.5
180.04294	31.8
191.05643	26.9
195.06639	17.4
197.00943	2.5
199.09749	2.5
211.07637	2.2
213.07774	6.8
223.10612	1.3
225.15239	1.3
229.08627	1.5
231.16017	1.6
236.10892	1.2
287.09357	2.9
299.07709	1.3
317.10300	10.6
339.10580	1.4
357.19278	1.8
375.20190	10.4
393.21191	9.1
419.22858	6.4
435.22467	32.3
479.10687	11.0
479.21542	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	478.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14697	0.3
53.52225	0.3
59.01386	8.3
60.01713	0.4
61.98837	100.0
69.94807	0.3
71.01385	2.2
72.99290	0.3
73.02935	0.4
81.59788	0.3
85.02963	1.3
87.00874	0.4
89.02445	0.8
93.03448	2.8
101.02457	0.7
111.04556	0.3
117.71569	0.3
119.05055	0.5
121.02971	1.5
125.02472	0.4
132.02100	0.3
135.04543	0.7
137.02469	0.4
160.01675	0.6
161.04572	0.5
173.04500	0.6
177.02039	0.4
177.80165	0.3
186.25565	0.3
191.05632	5.5
192.05956	2.9
193.06117	2.6
222.06880	0.4
225.55809	0.4
311.16049	0.4
364.25980	0.4
417.24619	0.5
418.24915	1.3
451.15097	3.3
478.10455	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	478.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.6
56.56229	3.0
59.01385	19.0
60.85152	2.6
61.98825	3.9
92.10179	3.7
104.13313	4.4
112.04061	50.5
114.41431	3.5
114.72585	4.6
122.06084	3.7
124.04041	27.5
124.33087	3.0
156.77312	3.9
166.05115	100.0
184.06134	23.7
194.86435	4.2
248.35976	3.4
249.43851	4.0
292.86728	3.9
377.53549	3.2
394.49179	3.8
418.34103	7.7
478.35312	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	479.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66403	0.7
55.01895	0.8
57.03466	4.7
58.00589	0.9
59.01396	35.1
60.01722	0.8
61.98848	13.6
65.00339	1.1
65.03981	7.8
67.01915	7.2
69.03466	1.2
71.01389	16.2
72.99301	1.5
73.02946	6.5
75.00887	3.8
79.95741	0.8
81.03468	12.7
83.01396	4.1
83.05035	9.4
85.02966	14.3
86.36034	0.8
87.00875	3.6
87.04520	4.8
88.98817	1.7
89.02454	7.1
91.01901	36.7
93.03464	16.6
95.01440	1.3
95.05020	4.0
97.02946	3.8
97.06540	1.0
99.00889	6.7
99.03976	0.9
99.04514	7.4
101.02444	8.6
103.58603	1.0
107.01453	1.1
107.05054	18.5
108.02195	1.2
109.02964	24.7
110.81696	1.0
113.02454	5.8
117.03475	0.8
119.03495	1.7
119.05008	1.7
121.02967	13.5
123.04522	3.8
125.02470	6.1
125.06098	6.0
125.09747	1.0
127.04025	10.6
133.03003	1.7
134.03709	3.8
135.00900	17.4
135.03038	1.0
135.04536	8.3
135.06693	3.0
135.08179	1.9
137.02461	20.4
137.09732	19.4
145.02980	1.7
145.05089	5.7
149.02455	1.6
149.99672	1.0
151.04028	63.8
153.01958	24.8
155.10797	100.0
161.04572	1.4
163.03986	1.7
163.11237	1.1
167.03520	24.3
168.00703	1.1
169.05051	5.0
169.12360	1.9
173.04591	7.8
175.04041	2.1
177.01906	3.4
178.99879	47.2
179.03464	1.0
179.05576	1.3
181.08752	2.1
181.12366	3.3
191.05640	14.9
195.03018	42.2
197.00992	9.3
198.12189	1.2
199.09798	26.5
203.07001	0.9
207.10260	9.0
211.07695	1.3
213.04062	20.8
213.11290	2.0
225.11398	14.3
237.04065	5.6
241.10886	8.2
243.12410	10.0
323.04138	9.5
341.05173	24.6
398.77127	0.9
478.20520	1.2
479.07632	8.2
479.11966	25.8
479.21362	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60557	0.2
55.01886	0.2
59.01391	14.2
60.01719	1.2
61.98838	100.0
71.01379	3.0
73.02944	0.3
76.48225	0.2
77.81897	0.2
85.02945	0.5
89.02463	2.3
89.02914	0.2
101.02448	1.6
113.02480	0.9
119.03499	1.2
121.02977	1.7
127.41637	0.2
135.04541	1.4
140.03453	0.2
159.65096	0.3
161.04565	0.3
171.43088	0.2
179.05603	0.4
191.05568	0.3
223.62520	0.2
227.92915	0.2
261.61945	0.3
417.25101	1.6
418.25320	3.8
452.30966	0.2
478.09894	2.1
502.22769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.5
61.98838	100.0
70.60936	0.2
71.01376	0.2
121.02956	0.4
136.55719	0.2
152.07191	1.5
160.40787	0.3
178.42088	0.2
185.64479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
59.01395	9.0
60.01731	0.9
61.01817	0.4
61.98844	100.0
71.01399	1.3
73.02963	0.4
85.02971	0.5
89.02486	0.3
101.02460	0.4
107.05020	0.9
109.02981	0.2
113.02413	0.3
121.02937	1.2
125.02517	0.3
134.92854	0.2
135.04587	0.3
136.86330	0.2
144.78683	0.3
161.02490	0.3
161.74170	0.2
183.10304	0.3
191.05553	0.3
242.03906	0.2
244.12047	0.2
257.34393	0.2
417.24881	1.1
418.25513	1.6
478.10782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	12.0
56.70863	1.0
57.03465	6.1
58.00575	1.2
59.01386	49.8
68.07716	1.3
71.01385	73.2
72.99328	3.0
73.02948	28.7
79.73296	1.4
83.01392	15.4
85.02955	53.6
86.00118	1.4
87.00874	1.9
89.02460	6.5
92.05042	2.1
95.01402	7.1
96.96038	7.5
97.02968	1.3
99.00877	13.1
100.79744	1.4
101.02447	60.7
104.37942	1.4
110.06130	6.4
113.02451	32.3
113.03168	2.3
119.03549	1.9
120.04572	2.6
122.02496	5.7
125.02412	1.8
136.04002	1.4
153.02008	1.7
159.02975	2.3
159.29395	1.3
161.04575	29.9
164.03528	23.8
165.03937	2.5
269.10309	24.0
313.09354	100.0
330.65366	1.4
452.09940	1.4
459.76660	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	17.6
61.98842	2.1
71.01406	1.9
72.70972	0.3
73.02979	0.4
85.02975	0.6
85.65614	0.3
88.92585	0.3
89.02458	1.4
101.02464	1.4
113.02454	0.6
119.03488	0.3
121.02950	0.4
122.03751	9.8
135.04565	0.5
136.04054	0.8
139.65399	0.3
143.91222	0.4
149.06607	0.4
152.03554	100.0
153.03882	0.5
179.05682	0.5
188.15219	0.3
219.04991	0.4
226.12585	0.3
246.43282	0.3
366.58572	0.4
417.25064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94000	0.8
55.01881	1.7
55.51416	1.0
57.48186	1.1
59.01386	100.0
61.98834	53.0
61.99161	1.5
64.96011	0.9
65.86266	0.9
69.03471	4.1
69.09487	0.9
71.01383	15.5
71.05053	1.3
72.99323	2.1
73.02956	4.1
75.00851	1.1
75.41029	0.9
79.55003	0.8
81.03461	1.2
83.01398	4.4
85.02937	9.5
87.00875	1.9
88.90721	1.2
88.98798	1.7
89.02443	4.3
91.01894	1.4
92.10948	1.5
93.03456	2.3
95.01387	4.4
95.38698	1.0
97.02945	2.2
97.59959	1.2
99.00854	1.2
99.04591	1.2
101.02445	7.8
109.02964	2.5
111.80744	0.9
113.02467	7.5
114.04461	1.0
117.03473	5.7
119.05024	8.0
121.02928	5.0
123.00874	10.1
123.04544	5.5
124.01660	20.7
125.02459	44.0
125.92708	1.2
126.46590	1.2
133.80408	1.1
134.03767	10.4
135.03065	1.6
135.04550	1.8
137.02451	2.5
145.02954	20.0
149.04655	1.6
149.06093	5.2
149.99596	47.1
151.00308	4.7
155.10782	1.7
159.02948	1.1
161.02498	1.5
161.04613	7.2
163.03993	6.1
167.03503	3.8
168.00655	64.2
169.01251	1.5
178.99850	13.8
179.10788	4.6
184.61954	1.0
191.05629	11.7
192.06001	2.1
197.00941	11.1
197.11845	41.0
226.06239	1.6
241.10812	2.1
253.09097	3.5
255.19661	2.4
313.05740	2.1
331.06763	17.6
407.56888	1.3
417.25159	12.6
477.10422	65.0
477.19751	31.2
478.10947	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	477.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.6
57.03455	1.4
58.00615	0.3
59.01389	100.0
59.36290	0.2
71.01386	20.9
73.02943	5.5
75.00868	0.3
83.01382	3.3
85.02958	10.5
87.00890	1.2
87.04525	0.6
89.02452	6.7
95.01383	2.0
97.02943	0.5
99.00874	2.5
101.02449	13.3
111.00885	0.4
113.02464	8.8
119.03519	2.9
121.02948	0.4
129.01921	0.5
136.01711	0.3
143.03500	0.5
159.02985	1.4
161.03255	0.3
161.04582	9.0
179.05632	0.7
191.05730	0.5
255.19540	0.6
288.56656	0.3
350.74731	0.3
417.25034	41.1
418.25168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84755	3.0
54.82634	3.1
57.03463	8.6
58.47057	3.5
59.01395	22.6
60.49567	3.0
69.03494	5.4
70.47003	3.1
78.67059	3.7
83.05053	9.0
86.42327	3.5
92.10817	10.5
101.92378	3.7
125.02442	100.0
149.76897	3.6
152.87973	4.5
156.66972	3.9
194.95923	3.4
267.26929	68.8
283.26440	49.6
351.32642	12.6
373.34601	4.8
377.31055	4.2
417.33929	7.6
433.36960	6.1
447.70834	4.4
469.52948	4.6
477.36002	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.0
57.03471	3.1
58.00610	1.2
59.01387	100.0
59.66856	0.7
61.98843	4.1
62.24806	0.8
69.98055	0.8
71.01382	46.5
72.78885	0.8
72.99319	1.9
73.02950	8.9
75.00903	1.4
78.91895	3.6
83.01407	5.1
85.02953	20.2
85.03380	1.0
87.00869	1.0
89.02442	30.4
95.01400	2.0
99.00891	1.9
101.02448	34.6
113.02456	20.2
114.40015	0.9
119.03503	11.6
121.02988	1.0
125.56107	0.9
143.03476	2.1
159.03088	1.4
160.02904	0.9
161.04593	12.0
176.69814	1.0
179.05623	6.4
255.19672	6.5
320.28159	0.9
417.25040	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.4
57.03451	2.8
59.01387	58.7
59.05224	0.6
61.98850	2.7
69.03454	7.0
71.01385	15.9
71.05019	2.7
73.02945	2.9
75.00869	1.0
83.01411	3.2
85.02956	7.7
87.00888	2.8
88.98798	8.2
89.02448	12.9
89.02943	1.0
93.03474	3.4
95.64343	0.7
96.96017	1.3
99.00885	1.1
101.02455	13.6
107.01411	1.6
109.02968	0.8
111.64409	0.7
112.68169	0.7
113.02445	6.6
117.03511	0.9
119.03501	1.3
119.05000	0.9
121.02977	3.1
125.02435	4.8
125.09706	2.7
128.77084	0.8
135.04555	1.6
145.02954	1.6
149.09666	0.9
151.00325	5.4
151.11295	1.3
152.01118	1.1
153.12878	2.7
155.10713	1.3
161.04568	4.6
161.09720	4.8
167.03423	0.8
169.01355	1.3
173.04507	1.5
179.05676	1.0
179.10823	7.5
191.05594	9.4
192.06009	4.0
197.11859	100.0
223.09758	1.4
241.10860	9.0
253.09354	4.8
417.25180	6.2
427.95169	0.8
450.14749	1.0
477.10153	5.0
477.19867	97.3
478.20416	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73979	0.6
55.01894	2.9
56.16954	0.7
57.03466	3.3
59.01389	74.4
60.01740	1.7
60.99329	1.1
61.98837	10.2
69.03493	1.1
70.90948	0.7
71.01386	17.2
72.01743	0.7
72.99359	0.7
73.02949	8.8
75.00887	1.7
83.01427	3.0
85.02961	14.9
87.00863	5.7
87.04521	2.8
88.98824	4.7
89.02435	7.4
93.03471	4.8
95.01392	1.7
95.05009	0.8
96.96030	3.5
97.02982	1.4
99.00879	2.8
99.04556	1.3
101.02439	12.0
108.02192	4.6
109.02978	4.7
111.04520	0.9
113.02460	5.0
119.03498	1.6
119.05029	1.3
121.02960	4.3
123.00893	1.2
123.04544	3.7
124.01714	1.0
125.02460	6.3
127.03997	0.9
131.03532	1.5
133.03003	1.1
133.38011	0.7
134.03679	1.1
135.04546	4.1
135.08179	3.3
137.02496	4.6
137.09738	17.2
139.04010	3.8
145.02989	3.1
147.04628	0.7
149.99632	3.9
151.00328	1.0
152.01167	4.5
153.01894	0.8
155.10796	100.0
156.53854	1.0
159.03021	1.1
160.01678	1.4
161.02423	3.5
161.04637	5.1
167.03467	1.3
168.00652	6.5
169.12355	3.3
173.04573	1.6
175.04015	3.8
179.05579	1.0
181.08723	3.4
181.12405	0.9
187.07506	0.8
191.05650	27.0
192.05994	10.6
197.00804	1.3
199.09779	31.8
213.11380	1.6
241.10832	6.3
255.16109	1.7
257.08200	1.2
258.08664	1.5
271.02536	1.0
271.11920	1.3
280.55008	0.9
285.63715	0.8
299.01950	1.2
301.12949	4.2
331.06747	1.2
337.09088	1.1
361.15152	3.5
403.16110	39.7
417.17542	1.6
417.24908	16.2
450.14896	1.9
477.09897	12.5
477.19757	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	477.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04330	0.2
55.61499	0.3
57.03471	0.3
58.17944	0.3
59.01384	6.1
59.01945	0.3
60.35374	0.3
60.99316	16.0
61.98837	0.7
63.17188	0.3
71.01390	3.5
72.99323	0.4
73.02943	0.4
75.00862	0.7
83.01401	0.3
85.02954	1.2
87.00880	0.6
88.98810	100.0
89.02450	4.1
95.01400	0.3
96.96008	0.4
101.02448	2.0
104.45553	0.3
113.02457	1.3
119.03514	0.4
121.02957	10.8
135.04530	5.7
151.06181	0.5
153.09224	2.3
163.03984	0.5
164.74210	0.4
179.05623	0.5
197.08223	0.4
209.08372	0.3
223.05878	0.3
361.15149	0.7
371.06668	0.3
417.13968	1.9
431.05893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50694	0.5
51.97263	0.5
55.01893	1.0
57.03471	1.3
57.04165	0.5
59.01386	75.5
60.99312	15.6
61.98846	2.8
71.01382	17.3
72.99319	1.0
73.02925	4.9
75.00878	1.2
83.01399	2.2
85.02953	7.5
87.00890	1.4
88.98805	100.0
89.02447	10.0
91.02827	0.7
92.05506	0.5
93.03445	2.1
95.01382	0.7
96.95995	0.7
99.00897	2.7
101.02448	10.3
112.71313	0.6
113.02441	5.8
115.00421	0.7
119.03501	4.0
119.05014	0.8
121.02958	9.5
121.10220	0.9
122.03352	0.9
135.03014	3.1
135.04517	2.8
137.02464	1.0
145.02992	2.6
149.00661	1.2
153.09218	8.0
155.10840	1.1
161.04605	4.2
167.01825	0.7
169.12354	8.2
173.04588	1.0
177.04129	1.1
191.05650	1.3
195.48282	0.7
197.08206	2.7
197.11876	8.1
206.83438	0.6
212.12265	0.6
253.09116	0.6
313.81424	0.6
345.15585	6.6
361.15128	5.8
362.81500	0.6
367.10031	0.7
383.57742	0.9
391.12320	0.7
417.16687	1.0
417.25046	11.9
477.19803	16.7
477.26318	1.1
479.84927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03484	0.6
55.01883	1.2
57.03473	0.7
58.00601	0.7
59.01387	84.3
60.99318	0.7
61.98840	3.0
71.01384	20.5
72.99311	1.0
73.02946	6.8
75.00880	1.6
75.54964	0.6
83.01421	3.6
85.02946	8.5
87.00893	1.5
88.98798	6.5
89.02433	10.1
90.02786	0.8
92.66208	0.7
93.03475	3.2
95.01383	0.9
96.96016	6.3
97.02909	0.9
99.00851	1.2
101.02441	15.6
113.02427	5.5
119.03552	1.8
119.04996	0.8
121.02956	100.0
122.03287	1.4
125.02456	1.0
129.01921	0.8
131.03488	1.2
135.04529	26.8
137.02451	1.3
149.04552	1.4
151.06120	10.3
161.04549	2.8
163.03993	3.4
166.06363	6.7
167.07050	0.9
175.62782	0.7
177.62207	0.7
181.08739	12.9
191.05605	3.4
223.06160	0.9
295.10397	7.3
297.92020	0.8
343.14047	43.4
344.14270	0.8
395.69577	0.8
417.13968	6.3
417.17944	4.7
426.92816	0.8
473.88763	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14171	0.3
55.01881	0.4
59.01388	7.0
71.01389	5.2
73.02953	1.3
76.57061	0.3
77.03967	0.4
80.56076	0.3
83.01402	0.4
85.02975	1.8
89.02467	2.2
98.70556	0.4
101.02427	3.3
113.02475	1.5
119.03478	0.3
121.02959	100.0
122.03322	0.7
123.78593	0.3
133.05086	2.0
135.04532	43.9
150.68977	0.3
151.06137	5.2
161.04553	0.7
163.04013	4.3
172.81006	0.3
175.06117	1.5
190.58131	0.3
217.07184	0.3
223.06108	0.8
283.08237	1.2
295.10385	14.1
379.10339	0.4
417.14084	13.2
427.77435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.4
57.92991	0.3
59.01389	6.9
60.99317	15.9
61.98838	0.7
70.22952	0.4
70.77354	0.4
71.01385	4.3
73.02962	0.7
75.00890	1.0
75.40036	0.4
85.02950	0.9
87.00865	0.7
88.98808	100.0
89.02441	4.5
89.04947	0.4
95.01385	0.5
96.96019	0.6
101.02438	1.9
104.81772	0.4
113.02464	0.9
115.00357	0.7
119.94386	0.4
121.02966	13.9
122.03281	0.4
123.04457	0.4
124.73318	0.5
135.04553	4.6
151.06084	1.1
151.95522	0.4
153.09221	3.7
164.93024	0.4
180.63892	0.4
182.51407	0.4
191.05725	0.5
197.08250	0.5
295.10461	0.7
327.09052	0.5
361.15179	1.0
417.14377	0.8
440.09344	0.5
443.66956	0.5
469.36215	0.4
477.15979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82645	0.4
55.01889	1.0
57.03451	2.4
58.00592	0.9
59.01388	100.0
60.01720	0.8
61.01816	0.6
61.98836	6.7
65.58472	0.4
69.03453	0.8
71.01385	28.6
71.01781	0.9
72.99313	3.0
73.02943	2.9
75.00877	4.4
81.03456	0.5
83.01405	1.8
85.02962	11.2
87.00867	3.8
87.04530	2.3
89.02448	24.9
91.36538	0.4
93.03461	2.5
95.01388	2.7
97.02920	0.7
99.00898	3.5
101.02441	14.3
103.00388	0.6
108.02261	0.6
111.08206	0.5
113.02460	14.2
115.00330	0.5
119.03503	10.3
121.02943	3.4
125.02438	0.6
131.03491	0.7
135.04532	1.7
137.02441	1.0
137.09738	4.5
143.03493	0.9
145.46617	0.5
149.04509	0.4
149.99557	0.5
151.00426	0.6
155.09557	0.9
155.10809	25.4
160.01741	0.5
161.02449	0.5
161.04558	2.8
164.01175	0.9
165.12868	2.5
165.25941	0.5
166.02684	2.5
167.03537	3.8
169.12337	1.0
173.04536	0.5
175.02463	0.6
175.03964	0.8
179.05592	6.5
181.08784	1.0
183.13927	29.4
185.11809	0.5
191.05643	0.8
192.00673	4.4
193.06750	0.5
199.09776	8.6
200.02280	0.4
210.01755	0.8
213.11360	0.9
227.12897	2.2
241.10825	4.4
249.06116	0.7
267.07190	0.8
271.85928	0.4
301.13223	0.5
301.16510	0.7
415.19870	1.9
417.24945	24.5
441.17532	1.0
459.18860	0.8
477.10193	4.5
477.19846	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03459	5.1
58.60010	1.3
59.01385	100.0
61.98843	1.5
63.24644	1.2
63.73184	1.2
65.11992	1.1
69.03471	6.1
70.93504	1.1
71.01380	63.1
72.99339	2.6
73.02961	6.5
83.01421	5.3
83.05049	1.5
85.02943	14.7
87.00903	2.9
89.02446	64.2
93.03455	23.2
95.01426	5.5
96.96044	10.8
97.02943	2.4
101.02438	40.4
105.84907	1.4
109.03019	1.7
111.00910	1.6
113.02457	18.8
116.92863	3.2
119.03505	28.8
121.02962	11.0
123.04518	2.4
125.02444	13.0
131.03487	1.9
137.02463	5.7
143.03516	7.4
149.04626	1.9
149.09650	9.5
151.75549	1.6
153.01962	1.5
153.05553	2.7
153.09190	1.6
161.04555	4.7
167.10754	14.3
177.01891	5.2
179.05637	17.4
180.09175	1.5
191.05600	7.7
221.06686	6.1
263.07837	1.7
296.12537	1.3
323.09918	41.0
405.21463	14.7
422.84149	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24781	0.2
59.01388	9.7
60.99315	0.2
61.98843	1.2
63.02391	1.7
65.00323	2.1
67.01915	0.5
67.80489	0.2
68.02239	0.3
71.01400	1.2
73.22221	0.2
83.01392	3.3
85.02981	0.3
87.00906	0.5
89.02457	0.3
92.10794	0.9
93.03464	4.9
94.03817	1.4
101.02444	0.4
107.01402	4.3
108.02219	0.5
113.02448	0.4
119.03544	0.3
121.02948	0.4
124.01703	0.4
124.14345	0.2
125.02452	0.4
131.58051	0.3
133.02963	0.5
134.03725	0.6
135.04556	4.9
136.01694	1.6
136.04851	2.2
137.02432	0.4
138.01981	0.4
139.13106	0.2
141.07135	0.4
141.55701	0.3
145.06621	2.7
151.00386	6.9
151.01553	0.3
151.04016	1.5
157.95325	0.3
160.01675	0.4
164.01205	1.2
165.01933	0.9
169.06602	1.5
171.04541	3.5
172.05354	0.6
173.04555	1.7
173.06012	0.8
174.04918	0.4
177.01964	0.4
179.03462	1.4
180.03830	1.0
182.82553	0.2
183.08156	0.6
185.06104	0.6
187.07629	1.8
191.05673	0.5
191.32753	0.2
196.14717	0.2
211.07745	2.8
213.05615	6.7
227.07466	0.3
239.07181	0.3
255.06673	100.0
256.07013	1.0
269.08194	0.4
279.06622	1.2
297.07700	2.6
300.06497	0.3
315.08844	1.2
353.08353	0.5
385.44809	0.3
417.11969	2.1
417.24973	0.5
449.14349	0.3
450.14948	7.7
477.16220	0.4
501.16263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
59.01392	19.9
59.44989	0.7
69.63280	0.7
70.24463	0.7
71.01388	12.1
73.02960	4.7
83.01381	1.7
85.02964	6.3
87.00890	1.9
89.02442	6.4
93.03462	4.1
95.01391	1.4
97.02987	1.4
99.00861	1.1
101.02457	9.9
108.02191	63.7
109.02969	43.8
109.03693	1.8
113.02451	1.1
119.03487	1.4
121.02960	0.9
125.02434	1.9
137.02463	4.1
152.01173	93.1
153.01959	26.4
161.04576	3.5
163.04022	1.4
165.01912	2.1
177.03998	1.2
269.16028	0.9
325.72696	0.9
477.12585	100.0
478.12671	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	16.2
61.98840	10.5
65.00340	3.2
67.01913	0.8
71.01405	4.2
85.02977	1.0
87.00907	1.1
89.02469	1.2
93.03483	4.4
95.01385	1.4
97.02970	3.1
101.02479	1.8
104.78426	0.7
108.02138	0.9
111.04604	1.1
121.02949	11.5
124.01669	1.7
134.03752	26.2
135.04530	29.3
137.02396	1.4
138.80171	0.8
139.04008	4.0
145.03004	0.9
149.06110	5.0
151.04077	1.2
155.03505	1.0
160.01764	1.3
161.02446	4.8
161.84267	0.8
164.01073	0.9
165.01941	26.9
166.02737	1.0
173.04526	1.8
175.04015	1.2
178.02727	4.9
178.25891	0.8
179.03531	8.3
191.03577	1.4
191.05573	1.1
210.01732	7.4
211.07536	1.2
219.75639	0.8
227.12891	0.9
239.03546	1.5
241.05215	1.5
244.75066	0.8
254.05878	1.5
255.06686	3.8
257.04474	1.3
267.03018	2.0
282.05316	9.6
283.06076	1.2
285.04004	10.2
297.07712	11.3
299.05682	13.2
300.06430	25.3
315.08810	100.0
316.09155	1.6
334.35388	1.0
375.32483	0.9
450.14890	3.2
477.14093	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	477.1045
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
57.03457	0.8
57.36963	0.7
57.94839	0.7
58.30432	0.7
59.01382	6.8
60.99319	0.9
61.98848	1.5
69.55859	0.7
71.01392	4.6
73.02956	1.2
75.00867	0.8
81.03465	1.1
81.84457	0.7
83.01402	1.0
85.02974	4.0
86.73468	0.8
88.98821	7.2
89.02464	1.2
93.03447	1.2
101.02442	1.1
108.02189	69.2
109.02967	49.6
111.62745	0.7
113.02451	1.6
121.02948	3.4
123.04529	1.6
125.02457	1.4
133.02954	36.1
134.03674	1.5
135.04538	16.2
142.72762	0.8
151.00407	1.8
151.04039	1.4
152.01173	92.6
153.01965	42.5
161.02463	85.2
162.02805	1.0
163.03960	1.5
165.01906	0.9
179.03517	4.7
203.03503	0.9
257.98651	0.9
302.46121	0.8
315.07333	53.0
323.07846	1.2
409.42572	0.9
433.11398	1.5
477.10498	100.0
478.11209	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1042
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
54.88485	0.6
55.25802	0.8
59.01110	1.7
59.01387	36.8
60.01738	1.9
61.98827	4.3
64.05119	0.8
67.01907	0.9
69.03463	2.0
71.01410	6.8
73.02940	1.1
75.96857	1.1
83.01378	1.1
85.02940	4.0
87.00927	1.0
88.98789	1.0
89.02431	3.5
92.24481	0.9
93.03450	6.8
95.01375	1.8
95.68851	0.8
97.02945	4.3
101.02447	1.6
105.65461	0.9
108.02203	1.9
111.04533	1.1
113.02455	2.0
117.03471	6.9
119.03627	0.9
119.05014	8.9
121.02964	10.5
122.03248	1.3
123.00877	11.2
124.01678	26.4
125.02453	49.4
127.07564	1.4
133.02959	1.3
134.03735	29.0
135.04500	4.2
136.01688	13.3
137.01488	1.3
137.02414	8.2
137.09785	1.2
138.02782	1.5
139.03021	1.0
139.04002	5.4
145.01866	1.2
145.02974	26.8
149.06085	18.8
149.99597	40.3
151.00360	4.1
151.04039	13.3
151.92377	0.9
155.10820	8.9
157.85703	0.9
160.01645	3.8
161.02455	2.1
163.04019	5.9
168.00652	67.4
169.01389	5.4
173.04543	15.6
174.04948	6.8
175.03831	1.8
175.05064	3.9
178.74413	1.0
191.05586	1.8
193.05203	1.0
199.04094	1.0
199.09735	1.8
215.03586	1.0
227.03354	1.0
242.02170	3.7
243.03020	20.4
257.04547	5.6
270.01691	4.0
271.02521	16.9
285.04065	10.6
286.04602	1.5
295.08069	1.2
296.08682	1.9
297.08762	4.1
299.02029	2.0
300.02679	1.4
307.08359	1.0
313.05569	1.7
314.04361	18.9
315.04834	1.4
331.06750	17.2
333.03207	0.8
337.08798	3.5
417.24347	1.8
477.10355	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	476.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77174	0.2
52.30145	0.2
58.10082	0.3
59.01385	0.6
61.61394	0.2
61.98848	1.2
62.17024	0.2
75.84628	0.2
78.95906	21.9
81.69447	0.3
88.71375	0.3
98.18906	0.3
103.43449	0.2
110.78897	0.3
122.00150	1.3
140.01183	7.5
140.54544	0.3
143.66136	0.3
152.99626	2.0
196.03839	10.5
214.04913	1.9
250.67702	0.3
250.74016	0.3
261.22308	0.7
279.23318	100.0
280.23779	0.5
424.22632	0.4
476.27881	24.9
496.28958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2789
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.61510	1.9
59.01387	3.4
60.55947	2.0
61.98840	5.6
65.86053	2.1
76.58423	2.3
78.95915	5.2
118.22038	2.4
210.99641	2.6
214.04956	2.9
217.05734	2.2
279.23331	100.0
314.63303	2.4
476.27982	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	476.2789
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01396	0.5
59.64970	0.2
61.86512	0.2
61.98837	0.6
63.58721	0.3
78.95907	100.0
96.96960	8.2
103.18732	0.3
152.99594	16.5
171.00655	18.5
171.02113	0.6
171.28035	0.3
402.24188	1.4
476.27917	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84984	0.4
55.77152	0.4
59.01387	7.8
60.99311	19.7
61.98839	2.9
64.34795	0.4
71.01385	0.7
72.53667	0.4
72.99298	0.5
75.00857	1.0
87.00869	1.0
88.00416	0.7
88.98806	100.0
89.02447	12.5
92.10149	0.7
92.10632	1.6
93.03471	0.8
98.27792	0.5
121.02953	2.4
135.04515	0.5
137.09720	0.6
155.10809	4.3
156.11073	0.6
199.09831	0.8
241.10774	0.5
355.14194	0.6
383.65936	0.6
402.84607	0.5
476.19138	0.6
477.19797	2.6
477.30072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68514	0.4
56.94915	0.4
57.03463	1.0
59.01387	22.6
60.01719	0.5
60.67073	0.4
61.98841	3.6
67.01881	3.7
71.01385	7.5
71.04968	0.4
73.02946	2.0
83.01411	0.8
85.02958	10.4
87.00869	4.6
89.02458	3.4
93.02868	0.8
93.03460	24.3
99.00926	0.6
101.02435	4.8
105.03503	0.7
109.02937	0.6
111.04526	3.3
112.70541	0.5
113.02438	2.3
119.03476	0.9
121.02966	1.1
127.03997	3.1
129.34967	0.6
130.27467	0.5
131.03514	0.9
132.02182	2.7
133.02943	3.0
134.03734	3.2
135.04538	5.6
137.02376	0.8
155.03455	1.1
160.01666	15.8
161.04533	2.9
173.04559	7.6
177.01901	2.2
178.02731	2.4
179.03456	1.2
179.05734	0.7
191.05634	100.0
192.05937	0.5
221.06732	3.0
231.10197	3.1
257.08179	4.3
275.09235	0.8
291.87720	0.5
351.07224	2.6
415.23505	1.0
416.23657	2.9
440.31964	0.6
449.14636	31.7
476.15781	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	476.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	8.6
60.99316	2.1
61.98837	16.0
67.01907	10.4
69.03473	1.7
71.01389	7.3
74.95890	0.9
81.03502	1.3
83.05042	1.5
85.02966	1.6
87.00893	15.8
93.03467	74.0
97.02979	1.0
99.00874	1.1
110.69033	0.8
111.04538	8.9
113.02473	0.9
117.16648	0.9
121.02963	3.8
124.01662	5.1
125.02448	1.4
127.04082	1.5
129.01933	1.0
133.02937	9.2
134.03748	10.8
135.04538	71.3
136.05293	1.8
137.02460	3.8
145.02991	1.2
150.03227	3.8
150.05620	1.1
151.04036	9.2
155.03604	1.3
160.01740	1.5
161.02464	2.1
162.03249	2.1
173.04555	23.3
177.02010	1.0
178.02727	4.0
179.03549	17.8
182.26665	1.0
191.05618	11.9
257.08221	3.0
275.09360	1.8
300.06583	1.1
308.09048	4.9
315.08810	3.9
352.07983	6.6
360.68152	0.9
449.14633	100.0
476.15692	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	476.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59407	0.2
59.01388	11.4
60.01725	0.2
60.99325	0.3
61.98842	3.1
67.01900	0.4
69.03458	0.3
71.01385	2.7
73.02962	0.4
81.03474	0.5
83.05035	0.3
85.02956	9.8
87.00882	2.1
88.98817	1.4
89.02470	1.1
93.03461	6.1
95.01427	0.2
97.02892	0.2
99.04545	0.3
101.02469	0.5
108.02185	1.2
109.02972	1.1
111.04523	2.2
113.02453	0.9
121.02965	1.8
127.04037	2.8
129.01881	0.2
129.07854	0.2
133.02959	0.9
134.03314	0.2
135.04530	1.2
137.02504	1.0
145.02972	0.3
152.01195	1.2
153.01793	0.3
155.03499	0.3
159.04538	0.3
161.02460	0.4
161.04556	0.4
165.05528	0.3
171.03030	0.3
173.04604	2.5
173.05933	0.4
174.03232	0.3
177.01945	0.8
177.46527	0.2
178.02336	0.4
183.04515	0.3
185.02422	0.5
187.07655	3.3
191.05640	100.0
199.04047	1.3
200.04793	1.9
213.05711	0.5
213.09219	3.1
215.07188	0.5
227.03481	0.4
228.04344	0.3
229.08792	2.7
231.10333	1.1
231.90588	0.2
257.08228	9.1
275.09354	1.3
284.09274	1.3
340.07910	0.3
413.14563	0.3
415.23441	0.5
416.23923	0.9
422.46521	0.2
431.13715	0.5
449.14590	10.6
449.41806	0.3
474.86569	0.2
476.09372	1.9
476.15445	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	476.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	17.4
60.01721	0.6
60.99323	1.2
61.98839	6.0
65.68706	0.3
67.01899	0.6
69.03471	0.3
71.01389	3.8
73.02941	0.7
75.67518	0.3
76.61176	0.2
80.10100	0.3
81.03458	0.3
81.68526	0.3
83.05046	0.3
83.43832	0.3
85.02952	9.5
87.00870	2.5
88.98814	3.5
89.02438	2.6
93.03455	6.1
93.04014	0.3
94.03815	0.3
97.25665	0.3
101.02450	1.8
104.81863	0.3
108.02200	1.6
109.02987	1.1
111.04520	2.5
113.02445	0.4
117.03499	0.3
119.03519	1.2
121.02945	4.1
122.03201	0.4
125.02430	0.3
127.03999	2.8
133.02930	0.4
135.04509	2.3
137.02455	1.5
145.02988	0.5
152.01178	1.2
153.01801	0.5
159.04555	0.5
161.04611	0.3
165.05592	1.6
172.05214	0.4
173.04553	6.1
174.04919	1.5
177.01964	0.6
183.04449	0.6
187.07690	3.5
191.05641	100.0
192.05937	0.4
200.04817	1.6
207.65807	0.3
213.05612	0.7
213.09213	2.6
215.07150	0.4
228.04189	0.5
231.10231	0.7
257.08255	9.0
275.09296	1.3
284.09186	1.0
295.08374	0.6
296.08542	0.5
413.14670	1.6
415.23462	1.2
416.23923	1.4
433.34027	0.3
449.14612	11.7
476.09125	0.6
476.15607	1.6
477.10236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.9
57.03466	1.5
57.87354	0.6
59.01389	36.5
60.01723	1.0
60.99322	3.6
61.98840	8.2
61.99098	0.5
67.01902	14.6
67.68400	0.6
69.03471	5.7
71.01384	13.7
71.04999	0.8
72.99329	0.9
73.02962	1.3
75.47037	0.7
76.93079	0.6
81.03481	4.0
83.01395	1.1
83.05054	3.9
85.02961	8.2
86.03310	0.8
87.00877	21.2
87.01367	1.1
89.02451	9.3
90.02774	0.8
90.84528	0.8
92.10848	1.3
93.03461	100.0
94.03820	1.0
95.01438	0.8
95.16478	0.7
99.00928	2.6
99.04559	1.3
101.02457	7.1
109.02985	1.0
111.04542	16.1
113.02450	7.1
119.03522	3.5
121.02972	3.0
129.01949	3.3
133.02951	5.8
134.03755	8.1
135.04501	1.1
137.02451	3.7
143.03496	0.8
149.99977	0.7
155.03529	3.5
160.01682	1.0
161.04588	1.7
162.03232	4.8
173.04570	50.4
173.88129	0.7
174.04880	1.0
177.01932	1.3
178.02713	2.9
179.05647	0.8
183.13937	3.4
191.05640	21.9
191.19678	0.6
192.06038	6.2
223.30153	0.9
231.10326	4.4
235.98511	0.7
256.45111	0.7
275.09271	11.7
302.10669	0.7
329.48575	0.8
332.14236	0.9
415.23322	3.4
416.23911	5.9
419.09909	0.7
449.14648	33.4
476.08899	1.1
476.15723	28.5
476.22171	1.3
477.20316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66481	0.3
57.03468	1.3
59.01396	20.7
60.01736	0.7
60.52700	0.3
60.99331	0.4
61.98846	30.7
67.01920	1.4
69.03481	0.5
70.26348	0.3
71.01400	5.8
71.05021	0.3
72.01714	0.5
72.99332	0.4
73.02975	1.4
75.00903	0.8
80.99786	0.3
82.95474	0.3
83.01426	0.7
83.05047	0.3
85.02964	11.3
85.03452	0.4
86.03337	0.4
87.00885	4.7
88.98852	1.3
89.02454	2.7
92.70851	0.3
93.03472	11.8
94.03854	0.5
99.00880	0.8
99.04512	0.8
101.02453	3.0
101.06096	0.4
108.02206	0.4
109.02975	1.6
111.04545	2.7
113.02467	2.2
114.54763	0.4
117.03482	0.5
119.03469	0.4
119.05009	0.5
121.02963	8.5
122.03291	0.6
123.04565	0.4
125.02523	0.4
127.04021	3.1
129.05640	0.5
133.02989	0.6
135.03023	1.3
135.04570	2.9
138.50908	0.3
139.00391	0.4
145.02965	3.2
146.03349	1.8
147.06621	0.4
152.01219	0.6
155.03461	0.7
159.04510	0.6
161.02449	1.4
161.04585	0.7
162.02808	0.6
171.03027	0.3
171.90273	0.4
172.05254	0.7
173.04567	7.7
173.06003	0.6
174.03246	0.7
174.92102	0.3
179.05554	0.6
183.04518	0.7
187.04012	0.6
187.07654	6.5
191.05650	100.0
192.06610	0.8
199.04008	3.3
200.04848	3.8
211.07678	0.4
213.09258	3.8
215.07359	0.6
227.03606	0.7
228.04338	1.6
229.08713	8.0
231.10344	1.5
249.75075	0.4
251.07042	1.3
252.07553	3.6
257.08224	9.1
275.09256	2.0
284.09314	1.4
388.20663	0.5
413.14529	3.4
415.23599	0.5
416.23840	1.3
431.13467	1.7
432.14041	0.8
440.16663	0.5
449.14743	5.5
476.15677	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	475.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
57.03453	0.4
59.01388	100.0
60.99310	0.3
61.98842	2.2
63.26544	0.2
63.85826	0.3
71.01384	10.4
71.05019	0.3
72.99306	0.5
73.02951	1.7
75.00868	3.5
77.85809	0.3
83.01394	1.1
85.02953	3.1
85.64576	0.3
87.00887	1.6
87.08529	0.3
88.98797	2.8
89.02444	11.1
93.03463	3.4
95.01393	0.6
96.96027	0.4
99.00906	0.6
101.02452	5.2
109.02988	0.5
113.02460	5.1
115.00385	0.3
119.03503	4.4
119.04996	0.5
121.02188	0.3
121.02959	3.4
125.02321	0.3
131.03494	0.4
133.01405	0.5
135.03017	2.6
135.04510	1.6
137.02431	0.6
143.03517	0.5
145.02971	0.6
147.04504	1.5
149.04514	0.3
159.04488	0.3
161.04567	2.4
166.02748	2.5
173.04585	1.0
179.05646	4.9
179.10805	0.4
181.05087	4.3
187.07631	0.4
191.05641	9.4
192.06015	0.3
243.12263	0.4
257.08133	0.5
271.02505	0.5
275.09229	0.4
300.02963	0.4
301.03568	0.4
314.35336	0.3
339.04916	0.3
415.23544	5.7
449.14597	0.6
463.09140	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83968	0.3
55.01896	1.0
57.03463	1.0
59.01392	100.0
61.98849	0.7
71.01392	14.5
73.02959	2.7
83.01411	0.5
85.02966	5.0
87.00906	0.8
87.03832	0.5
89.02452	10.6
91.01908	4.6
92.02229	1.0
92.67122	0.5
93.03437	3.3
95.01418	0.9
99.00871	0.9
101.02435	9.6
109.02939	0.7
110.03320	0.6
113.02464	6.6
119.03502	5.3
121.02968	2.9
125.02525	0.5
135.00876	2.6
135.04494	3.0
136.01212	0.6
137.02414	0.5
143.03447	0.5
153.01932	3.7
159.02992	0.5
161.02272	0.6
161.04594	6.7
173.04619	5.2
178.98457	0.6
178.99841	4.8
179.05597	3.4
180.00185	1.8
191.05634	1.9
200.76329	0.5
205.23186	0.5
232.58517	0.5
318.02597	0.5
324.04221	0.6
345.19196	2.8
415.23468	14.9
457.09879	0.6
475.10944	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	475.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47359	0.2
53.26921	0.2
55.01888	0.5
57.03447	0.6
58.18867	0.3
59.01385	100.0
61.09215	0.2
61.98843	1.5
71.01382	4.5
73.02948	1.8
75.00890	0.4
78.35224	0.3
83.01394	0.5
85.02960	3.0
87.00860	0.4
89.02461	1.8
93.03447	2.0
94.03812	1.2
95.01394	0.3
99.00879	0.4
101.02443	4.4
105.23629	0.3
113.02464	2.1
114.39756	0.3
119.03503	0.3
121.02995	2.2
137.02455	4.1
138.02788	1.2
139.02911	0.5
143.19925	0.3
145.02974	0.5
161.04565	0.6
173.04536	1.3
174.04904	0.5
175.05011	0.4
253.17902	0.4
401.97955	0.3
415.23450	26.7
475.25842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14898	46.2
52.87090	39.2
56.97629	54.2
59.01394	100.0
60.97311	56.3
66.96611	52.8
74.84159	49.9
86.28651	50.8
131.37241	54.4
181.75789	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.3
57.03458	1.2
57.75459	0.5
59.01388	100.0
59.82927	0.4
68.33955	0.5
69.03453	0.5
71.01379	17.4
73.02960	3.4
81.03474	0.9
83.01405	2.6
85.02949	6.7
89.02441	15.3
95.01388	0.9
97.02940	0.6
99.00867	0.7
99.04536	2.3
100.32623	0.5
101.02446	10.7
113.02445	7.9
115.07683	0.7
116.92876	0.7
119.03516	6.3
119.04995	0.7
121.02937	1.3
121.03933	0.5
130.99164	0.6
135.04549	2.7
143.03485	0.7
151.64755	0.6
160.01643	0.7
161.04591	8.4
179.05621	2.6
191.05640	0.7
244.46506	0.6
253.18068	2.3
415.23447	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	475.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72891	0.6
59.01389	89.4
61.98854	2.5
66.73999	0.6
67.52569	0.5
71.01398	4.4
75.00878	1.6
85.02953	1.3
89.02456	1.2
93.03469	4.5
96.96031	1.4
101.02459	1.4
108.02192	2.9
111.04592	0.8
111.49293	0.6
118.77058	0.7
121.02953	11.3
122.59433	0.6
125.64722	0.6
135.04520	7.6
138.10023	0.6
149.06099	100.0
161.04659	0.8
253.18155	8.6
303.84641	0.7
341.23309	1.0
343.06216	0.6
415.23700	3.0
436.77512	0.7
475.16156	3.1
494.69949	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66787	0.4
55.01896	1.3
56.94669	0.5
59.01388	8.0
60.99315	17.9
62.77237	0.5
71.01385	4.5
71.68769	0.5
72.99321	3.3
73.02948	2.4
75.00873	17.7
83.01424	0.6
85.02956	3.9
87.00909	0.9
88.98808	100.0
89.02455	3.6
90.85313	0.6
91.01926	0.6
92.10150	1.1
101.02438	4.6
107.38667	0.6
113.02449	2.3
119.05038	7.3
121.02960	14.0
122.83706	0.6
129.01924	2.7
131.03497	2.4
135.02989	1.1
135.04533	4.7
135.65662	0.6
146.48833	0.6
147.03032	0.9
161.04483	0.6
163.03973	4.7
165.04047	22.3
178.99879	0.9
277.44897	0.6
283.09882	0.6
301.66516	0.6
327.08957	6.5
386.29260	0.6
415.23218	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.6
57.03469	4.0
58.00601	0.8
59.01390	100.0
60.99314	5.4
61.98837	8.7
68.30005	0.6
69.03486	0.8
70.98094	0.7
71.01389	36.2
71.01772	1.3
72.99333	3.8
73.02953	9.6
75.00864	5.6
81.03459	1.1
82.95452	1.1
83.01411	5.4
83.05034	0.7
84.95152	1.2
85.02961	15.7
85.03381	0.8
87.00900	4.0
88.98815	29.1
89.02453	18.1
89.02941	1.0
91.05567	3.6
93.03459	14.6
95.01410	3.3
96.96044	1.3
97.02978	1.1
99.00896	4.7
101.02447	23.9
108.02186	10.9
109.02959	8.5
111.00887	1.0
111.03896	0.6
111.04532	4.8
113.02478	12.2
115.00408	1.1
117.03489	1.3
119.03524	5.5
119.05019	1.2
121.02964	61.1
123.04520	11.1
125.02505	1.4
129.01891	0.8
132.02185	0.9
133.01428	0.8
133.02977	9.6
135.04539	65.7
135.06693	1.6
137.02454	21.3
143.03522	0.9
145.02982	0.9
147.04532	1.3
149.02422	5.1
152.01183	10.5
153.01999	3.9
153.05641	1.0
153.85114	0.7
155.03514	6.2
159.00922	0.9
159.03038	1.5
159.04488	0.9
161.02531	8.5
161.04585	14.9
163.04128	1.4
167.03496	9.2
173.04565	30.9
174.04936	0.9
174.98961	0.7
177.01961	8.0
178.02516	0.7
179.03593	5.0
179.05594	3.7
191.05612	4.9
197.04593	6.7
225.09171	0.8
251.07266	1.5
269.08279	0.9
283.11935	24.2
295.08307	9.4
297.11926	12.3
323.07846	17.4
335.07843	12.0
339.07245	5.5
353.08817	13.5
357.10104	1.0
359.13358	0.8
415.16226	17.8
415.23547	14.9
475.08978	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	475.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	12.3
57.03465	7.2
59.01387	74.2
61.98842	1.9
71.01383	100.0
72.99318	8.1
73.02950	35.0
75.00877	2.2
78.95921	6.5
83.01389	19.3
85.02955	54.9
87.00883	11.2
89.02453	30.6
93.03415	1.9
95.00831	1.8
95.01396	11.0
96.96012	72.0
96.96968	10.0
97.02947	2.7
99.00910	15.0
101.02442	76.5
109.02975	2.7
111.00880	3.8
113.02457	46.7
116.14993	1.5
116.92871	7.0
119.03512	6.6
123.04523	1.8
125.02460	7.1
130.99126	1.9
135.04584	7.2
143.03537	2.5
146.34363	1.6
159.02998	3.9
161.04581	29.0
163.04050	2.2
177.05524	2.1
179.05681	2.1
193.08736	2.0
223.53909	1.6
237.37212	1.8
246.62762	1.9
269.10339	34.0
276.06418	2.0
339.10858	2.6
378.57379	1.8
431.15768	43.0
475.14639	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51986	0.3
51.86529	0.3
53.80778	0.3
54.51236	0.3
54.64441	0.3
56.40768	0.3
57.03468	0.4
57.04181	0.3
59.01378	0.8
65.05340	0.4
69.42189	0.4
71.01381	21.2
71.01781	0.8
72.99310	4.7
81.90058	0.3
85.02979	0.3
87.00884	1.6
88.63622	0.3
89.02451	4.4
115.00375	58.7
120.11095	0.4
133.01434	100.0
133.05081	8.5
134.34532	0.4
178.29660	0.4
178.75676	0.4
191.05606	2.3
473.53448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57854	0.1
55.01887	0.2
59.01388	9.3
69.03467	0.2
70.64758	0.1
71.01385	6.9
72.10925	0.2
72.99312	0.9
73.02946	1.7
75.00874	1.3
81.03460	0.2
82.50938	0.2
83.01399	0.6
85.02962	1.6
87.00883	0.3
88.98801	1.2
89.02444	7.8
91.01885	0.2
93.03477	0.2
97.02962	0.4
101.02456	2.6
113.02478	0.7
119.05076	0.6
121.02961	100.0
122.03291	0.2
125.02450	2.2
131.03522	2.0
135.04539	0.8
143.03529	0.2
143.05145	0.2
149.04553	3.7
153.07176	0.2
163.03957	0.7
165.04033	2.1
167.89246	0.2
178.99869	0.3
191.05606	1.0
233.06639	0.2
293.08817	6.4
327.08691	0.4
335.62558	0.2
401.15005	0.2
415.12506	2.6
417.08163	0.2
489.78381	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.7
58.00610	2.4
59.01390	100.0
68.24695	1.2
69.03487	1.8
71.01387	60.0
72.99326	2.1
73.02953	20.4
75.00895	1.6
83.01425	1.8
85.02955	10.9
87.00900	5.0
88.98827	1.5
89.02449	85.7
92.10861	1.5
95.01362	1.5
97.02971	2.9
99.00883	1.9
101.02453	37.6
113.02453	6.5
119.03461	1.6
119.05094	2.0
121.02965	88.7
125.02455	15.6
131.03520	19.2
135.04555	2.7
149.04578	50.1
163.03996	2.3
175.82925	1.3
191.05679	5.5
249.24129	1.2
275.07840	2.5
293.08829	6.3
302.65448	1.6
328.32071	1.4
421.49631	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70060	0.5
59.01389	24.7
60.99320	1.4
61.98833	6.4
64.34407	0.7
66.56432	0.6
67.01910	0.9
71.01382	6.5
71.62268	0.7
72.17715	0.6
77.04069	0.8
83.05050	0.8
83.93710	0.8
85.02934	1.6
87.00871	1.0
88.98812	13.2
89.02453	3.5
92.65650	0.8
93.03462	78.5
96.96021	0.8
99.00883	0.8
101.02455	1.4
107.05092	0.7
109.02982	3.3
111.00906	1.0
111.04543	7.7
113.02500	1.2
119.03564	0.7
121.02963	58.8
122.03745	3.8
123.04530	27.7
129.01976	0.8
130.53590	0.7
133.02986	0.9
134.03769	2.7
135.04536	83.0
137.02455	100.0
139.04021	3.8
147.04567	0.9
149.02461	16.5
153.05591	3.4
155.03534	30.3
161.02493	4.8
161.04546	0.7
163.04041	1.2
165.79604	0.7
167.03510	17.4
173.04568	57.2
179.03508	2.8
191.05525	1.3
197.04567	5.9
274.98126	0.6
277.07043	0.9
285.44214	0.7
295.08289	8.7
323.07794	50.8
335.07761	6.9
344.68369	0.7
353.08826	27.9
354.36658	0.8
357.09863	5.3
475.12515	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	475.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.1
59.01383	27.1
64.34818	1.2
67.01895	1.9
69.03477	1.3
71.01395	5.3
75.00880	7.6
75.07924	1.0
85.02939	2.5
87.00871	2.1
89.02460	1.6
92.10857	2.5
93.03460	92.7
97.39855	1.0
99.00822	1.3
101.02459	1.3
109.02967	1.6
111.04533	8.1
119.29869	1.1
121.02958	63.1
122.03786	1.3
123.04527	25.8
123.33350	1.2
135.03001	1.9
135.04530	79.0
137.02452	100.0
139.04034	2.8
149.02441	16.4
153.05603	5.4
155.03514	30.5
161.04524	1.5
165.86490	1.2
167.03479	17.0
167.10568	1.3
167.45171	1.3
172.01436	1.1
173.04555	73.6
179.03487	2.5
191.05646	1.4
191.68413	1.2
197.04671	1.9
210.79936	1.2
295.08289	9.3
323.07794	62.2
335.07437	1.6
353.08807	19.1
411.68372	1.4
415.23428	2.0
439.27856	1.2
475.12622	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	475.089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86487	0.2
61.82056	0.3
68.47430	0.3
71.01384	18.3
76.73898	0.3
82.95786	0.3
83.18942	0.3
97.86719	0.3
100.26272	0.3
115.00377	9.0
121.02962	100.0
145.11928	0.3
223.06787	0.3
237.04080	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	475.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40610	0.4
57.03469	0.7
59.01391	21.4
59.01691	0.8
60.79795	0.3
60.99324	0.5
61.98845	0.6
63.47892	0.3
67.01906	1.8
71.01386	7.7
72.91235	0.4
73.02965	0.6
83.01416	0.4
83.05042	0.7
85.02974	2.5
88.98847	1.8
89.02440	3.2
93.03463	31.8
96.70134	0.4
101.02455	2.7
103.86909	0.5
109.02971	2.4
111.00916	0.5
111.04529	4.9
113.02486	2.1
119.03506	0.7
121.02963	30.0
122.03278	0.6
127.04086	0.6
133.02962	2.2
135.04533	15.1
137.02458	41.9
144.33212	0.4
153.01917	0.4
155.03513	7.2
161.02461	5.9
161.04593	2.0
173.04572	100.0
174.04912	0.7
179.03549	3.5
187.07654	0.7
191.05684	0.6
295.08304	36.1
335.07803	10.0
353.08865	7.1
368.32275	0.4
387.19971	3.1
388.20654	5.7
415.23404	3.7
475.12570	6.3
479.71875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	10.9
60.43427	2.5
61.98839	11.0
64.61308	2.2
78.95910	31.8
92.18433	2.7
105.39390	2.6
108.80524	2.6
115.37544	2.7
118.44163	3.3
125.08997	2.9
140.01224	3.2
148.70406	2.4
196.03818	6.0
201.78566	2.7
274.77872	2.5
277.21777	100.0
301.97104	3.1
309.50388	2.9
474.26242	28.6
474.32953	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	474.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44101	0.3
59.01392	3.0
60.33792	0.3
61.98828	0.6
71.05022	0.5
75.80948	0.3
77.11558	0.4
78.27823	0.3
78.95906	100.0
92.58257	0.3
96.96964	8.6
108.34853	0.4
152.99612	16.3
162.83968	1.7
171.00662	18.1
214.88918	0.4
280.40567	0.4
293.17233	0.4
400.23157	1.7
414.34995	0.7
473.32864	3.4
473.36978	4.3
474.26782	42.1
474.33307	12.6
474.37640	9.6
475.27133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42581	0.2
55.43964	0.2
59.01389	0.5
59.51767	0.2
68.32513	0.2
78.95905	100.0
84.93091	0.2
96.96953	8.9
101.15960	0.2
105.34985	0.3
129.16875	0.3
131.64174	0.3
141.85840	0.3
150.97978	0.4
152.99603	16.8
171.00664	20.3
174.90959	0.3
186.55885	0.3
223.33397	0.3
353.80115	0.4
400.22528	1.5
473.36133	1.7
474.26355	49.6
474.36118	3.4
475.26447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04544	0.7
54.04859	0.6
59.01386	14.5
61.98839	1.5
78.95904	7.1
140.01186	1.1
174.20280	0.9
187.36206	1.0
208.76833	0.8
214.04857	1.4
263.84521	0.9
277.21756	100.0
281.08279	0.9
474.26038	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	474.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56335	0.4
55.01896	1.1
57.03462	2.3
58.00612	0.7
59.01386	58.2
60.01724	0.7
61.98830	7.7
61.99071	0.4
63.91600	0.5
67.01928	0.5
71.01382	21.4
72.38116	0.4
72.99319	0.7
73.02952	5.0
75.00896	0.6
76.08588	0.6
83.01384	3.7
85.02959	10.8
87.00895	2.9
88.98825	0.7
89.02443	21.6
89.52773	0.5
90.09177	0.5
92.10824	0.9
93.03451	8.0
93.03918	0.5
94.03806	0.6
95.01404	2.4
99.00913	1.1
101.02448	18.4
111.04520	1.0
113.02444	10.8
118.91135	0.6
119.03510	9.3
119.05042	1.3
121.02969	3.0
123.03196	0.5
132.63708	0.6
133.02975	1.1
135.04544	0.9
143.03537	0.6
144.60374	0.5
145.02936	1.1
148.04947	0.6
151.00375	0.8
161.02438	2.7
161.04564	2.5
173.04637	3.8
178.99895	0.6
179.05626	0.9
191.05632	15.2
192.06023	2.3
195.14064	0.6
204.12700	0.6
207.13852	1.1
216.55878	0.6
225.14998	9.1
251.07152	5.5
255.03085	2.5
271.02548	3.4
272.02921	1.1
300.02826	3.9
301.03317	4.3
367.88123	0.5
387.20306	100.0
388.20789	2.0
473.61160	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	473.3643
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
50.05208	0.2
51.07150	0.2
51.80916	0.2
52.75747	0.2
54.82252	0.2
54.82507	0.2
57.03461	0.3
58.46221	0.2
59.01383	0.4
59.17158	0.2
59.89082	0.2
66.75598	0.2
70.41499	0.2
71.05025	3.1
73.99548	0.2
78.95922	2.4
88.81101	0.2
96.96897	0.2
152.99654	0.3
161.69304	0.2
165.17215	0.2
171.00696	0.2
191.14432	0.4
409.34763	1.1
409.81894	0.2
411.33069	1.6
413.34344	8.0
413.39642	0.4
429.37317	0.2
455.35126	0.3
473.36655	100.0
474.26508	0.9
474.37146	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	473.3278
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
57.03456	1.3
58.91970	0.5
59.01405	3.9
61.98861	0.6
69.03458	1.2
69.17608	0.5
72.54555	0.5
72.85400	0.5
80.91710	0.8
90.47759	0.5
92.10757	0.9
105.76846	0.5
110.05701	0.5
114.18370	0.6
121.02937	0.8
124.15184	0.6
155.10777	0.8
176.28711	0.5
251.08702	0.6
278.61890	0.5
288.24637	0.6
343.72702	0.6
345.48398	0.6
429.34042	4.4
473.32834	100.0
474.33316	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	473.3279
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
59.01390	9.1
59.95371	0.6
61.98842	1.0
64.34811	0.6
68.43504	0.6
69.98611	0.6
92.10830	1.3
115.92002	0.6
167.09723	0.8
473.32748	100.0
475.55148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3281
Annotation	(5Z,7E)-(1S,3R)-18-acetoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
Peak:m/z	Relative Intensity
50.22215	0.2
53.68218	0.2
54.81892	0.2
54.83702	0.2
59.01394	100.0
66.80812	0.3
78.95911	5.1
96.78985	0.3
96.96984	0.4
112.47682	0.3
114.40823	0.3
143.22319	0.2
150.64911	0.3
152.99635	0.4
164.59134	0.3
171.00572	0.5
222.92984	0.3
331.28638	0.3
457.23819	0.3
473.32559	23.4
474.26718	2.3
474.32770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22215	0.2
53.68218	0.2
54.81892	0.2
54.83702	0.2
59.01394	100.0
66.80812	0.3
78.95911	5.1
96.78985	0.3
96.96984	0.4
112.47682	0.3
114.40823	0.3
143.22319	0.2
150.64911	0.3
152.99635	0.4
164.59134	0.3
171.00572	0.5
222.92984	0.3
331.28638	0.3
457.23819	0.3
473.32559	23.4
474.26718	2.3
474.32770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09748	1.2
53.77183	1.5
53.80989	1.6
55.89412	1.3
59.01394	3.3
61.98840	3.2
72.08015	1.4
73.02943	1.5
88.49256	1.4
92.10801	5.1
92.65206	1.6
94.21143	1.3
117.57535	1.4
129.27077	1.5
151.57495	1.5
175.87764	1.5
189.12917	3.5
191.14412	2.4
357.25821	9.5
371.27438	1.9
373.29089	15.2
389.28522	6.8
391.30023	6.5
407.29706	16.0
409.31146	3.6
421.31229	3.3
439.26334	3.6
439.32269	68.4
441.34189	6.8
455.31659	6.7
473.32825	100.0
483.31610	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	473.2916
Annotation	CHEBI:68039
Peak:m/z	Relative Intensity
51.98415	1.0
55.24405	1.1
58.00622	1.9
58.42280	1.0
59.01386	14.1
61.98857	1.2
72.99323	4.9
75.00869	1.5
83.73650	1.1
87.52174	1.2
92.10090	2.4
121.02959	1.5
153.02063	1.2
260.25320	1.1
324.41272	1.2
383.25851	2.1
397.27515	7.3
399.29208	5.1
401.30078	2.0
409.27386	2.6
411.29199	2.2
413.26959	16.0
425.26813	11.5
427.28662	11.0
429.30215	5.3
441.26758	1.3
473.29285	100.0
473.33676	23.9
474.29590	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	473.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.8
61.98833	0.2
80.97453	0.2
87.43118	0.2
114.56858	0.2
143.80225	0.2
185.52594	0.2
240.03914	0.2
263.70441	0.2
383.95969	0.2
407.29648	1.0
427.32565	0.3
473.32816	100.0
474.33273	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	473.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61781	0.2
59.01385	100.0
59.46852	0.2
61.98809	0.4
66.75357	0.2
67.06759	0.2
78.95904	1.6
101.58143	0.2
104.38506	0.2
105.34558	0.3
107.47036	0.2
138.82014	0.3
227.95546	0.3
247.12866	0.3
292.39029	0.3
397.37207	0.3
417.42804	0.3
427.44830	0.3
439.31888	0.6
472.30380	0.6
472.36099	0.4
473.32498	22.2
474.26590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.24
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	5.9
59.01387	100.0
61.98842	4.1
67.62736	0.6
71.00977	0.7
71.01392	1.6
73.02953	0.9
82.44320	0.7
85.02979	1.2
89.02454	1.6
93.03484	1.5
101.02472	1.6
113.02444	1.6
119.08674	0.7
121.02975	3.2
123.04481	1.2
123.22349	0.7
137.02438	3.5
137.09729	15.3
173.04565	3.0
206.88219	0.7
207.12976	0.8
251.16566	67.6
413.21811	1.5
448.24988	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	14.9
60.99303	0.5
61.98843	2.8
66.83167	0.5
67.01893	1.3
70.75481	0.4
71.01403	2.4
71.32583	0.5
76.85773	0.5
82.95437	4.1
85.02991	0.7
89.02441	0.8
89.63379	0.4
93.03457	59.3
96.96014	2.4
102.13035	0.4
105.03484	2.1
105.46384	0.5
105.96172	0.5
107.05028	0.7
109.02962	1.0
111.04529	3.1
121.02959	61.6
121.59652	0.4
123.04595	0.5
133.02969	12.4
134.03577	0.6
135.04526	4.7
137.02454	100.0
145.02951	1.0
146.03345	0.6
155.03491	5.8
161.02446	2.4
161.06030	0.7
163.03891	0.6
165.72032	0.5
173.04565	38.2
177.01988	2.9
179.03552	2.4
179.29474	0.5
191.05656	1.9
195.03017	0.9
251.16519	1.2
283.67017	0.5
289.06958	0.5
295.08337	6.1
311.07739	4.6
335.07922	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	473.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41536	0.1
51.42034	0.1
55.83081	0.1
56.53377	0.2
57.03456	0.3
57.88301	0.2
59.01380	1.8
67.01897	1.3
71.01391	1.2
83.05022	0.3
85.02963	0.2
93.03454	45.8
94.03764	0.3
104.27661	0.2
107.51183	0.2
111.04521	2.0
121.02968	1.1
135.04533	1.3
137.02448	100.0
138.02812	0.6
149.14226	0.2
155.03535	1.3
161.02438	0.9
173.04558	47.9
174.04848	0.2
174.09053	0.2
180.92087	0.2
228.64227	0.2
268.59521	0.2
311.07806	11.5
335.07523	0.7
343.13568	1.0
413.22015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.4
57.03466	1.1
59.01387	27.7
69.03454	0.7
71.01383	19.1
71.28896	0.6
72.99326	1.7
73.02969	4.7
75.00870	32.5
78.95894	0.9
80.95734	0.7
83.01419	1.1
85.02973	4.1
87.00855	6.9
89.02451	8.2
93.03489	1.3
95.01427	0.7
96.96011	3.3
99.00868	5.1
101.02451	8.2
101.06088	4.4
103.89101	0.6
105.01954	3.5
109.02946	4.7
113.02462	4.2
115.07634	6.9
117.01920	1.1
119.05022	7.2
121.02956	100.0
121.69424	0.6
133.03006	2.6
133.06618	1.4
134.03784	1.1
135.02910	2.5
135.04535	87.2
137.02524	1.0
145.02986	7.7
147.04562	3.0
148.13902	0.8
149.06079	1.7
161.02380	0.7
161.04604	2.7
161.06091	4.8
163.04021	16.7
172.40247	0.7
175.04054	1.4
175.09335	0.8
176.04774	1.1
177.04106	0.8
177.05598	2.8
178.02689	0.7
189.05580	11.6
191.03583	3.2
191.05630	1.5
193.05092	3.7
205.05054	2.8
219.06604	1.5
223.06296	1.3
265.07361	2.8
269.10349	2.9
325.11465	1.6
327.09372	3.3
394.97000	0.8
401.10919	83.4
427.18143	4.0
473.13068	22.0
473.19946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11416	0.8
55.01889	1.1
57.03467	1.8
58.00599	1.4
59.01385	95.5
61.98829	6.3
64.34692	0.7
66.18616	0.7
67.01911	1.9
69.03475	1.5
71.01382	53.3
72.99328	1.9
73.02966	3.4
75.00892	1.6
82.95428	1.5
83.01400	3.0
85.02956	17.3
87.00897	4.7
88.98807	0.8
89.02445	56.5
89.90009	0.7
92.10741	1.6
93.03459	14.8
95.01424	4.1
96.96027	1.5
99.00904	1.5
99.04501	1.0
101.02438	29.2
101.03082	1.2
107.05051	1.8
109.02975	0.9
111.04571	1.3
113.02451	23.3
115.00420	1.1
119.03504	22.4
119.04930	6.2
120.42284	0.8
121.02950	46.1
122.03269	1.7
123.08187	1.4
125.02397	1.1
127.04001	1.0
129.01976	1.5
131.03500	1.8
134.03798	1.0
134.53226	0.9
135.04538	5.3
137.02362	0.9
143.03491	2.0
145.02988	3.3
147.04520	4.1
147.08136	1.1
149.04605	1.6
151.00394	1.2
151.04115	1.1
151.11337	0.9
153.09224	16.2
159.04512	0.9
161.02385	1.5
161.04591	3.7
161.06065	3.2
163.04044	1.3
171.10284	1.9
173.04536	7.1
176.04086	0.9
179.03600	0.9
179.03951	1.0
179.05626	13.8
187.11272	1.5
189.05472	1.1
191.05641	25.6
192.05945	1.2
205.12415	8.3
205.83882	0.9
211.07655	5.2
227.07162	1.0
228.07103	1.5
243.02992	1.2
255.03044	4.4
271.02457	7.0
285.03973	1.3
298.42499	1.0
300.02805	6.7
301.03613	3.3
319.22882	0.9
327.08914	1.1
357.12131	1.7
378.65799	0.8
385.18744	100.0
386.18741	1.5
437.14700	0.9
445.11356	1.9
463.08716	1.2
472.14856	1.2
472.21906	1.1
473.11258	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	472.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37411	0.5
55.01882	1.3
57.03464	1.2
58.00597	2.9
59.01389	100.0
60.01725	0.7
61.98853	1.5
69.43593	0.6
71.01385	53.1
72.99311	3.2
73.02952	3.5
75.00895	0.7
83.01415	3.3
85.02962	13.8
87.00888	2.8
89.02446	71.7
93.03458	1.2
95.01386	4.1
97.03036	0.8
99.00854	1.4
101.02448	31.0
113.02454	22.4
117.69265	0.7
119.03506	25.2
120.36781	0.7
120.86272	0.7
121.02957	3.6
123.08179	1.0
131.03531	3.7
132.02180	2.9
134.03720	4.7
135.04482	3.6
135.08101	0.9
137.02400	0.9
143.03508	3.4
149.04562	1.3
153.09235	11.6
160.01700	8.1
161.01982	5.0
161.04527	4.8
163.11340	0.7
165.09102	0.7
175.04022	10.3
176.04312	6.3
179.05644	20.4
181.43176	0.7
187.11320	4.5
189.76111	0.7
191.05637	5.0
193.05101	1.5
194.05409	3.2
205.12379	12.9
223.13324	1.1
236.06488	1.1
281.04987	0.8
295.15656	0.8
301.27664	0.7
385.18762	85.7
398.11758	9.4
410.26660	0.8
412.16879	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11416	0.8
55.01889	1.1
57.03467	1.8
58.00599	1.4
59.01385	95.5
61.98829	6.3
64.34692	0.7
66.18616	0.7
67.01911	1.9
69.03475	1.5
71.01382	53.3
72.99328	1.9
73.02966	3.4
75.00892	1.6
82.95428	1.5
83.01400	3.0
85.02956	17.3
87.00897	4.7
88.98807	0.8
89.02445	56.5
89.90009	0.7
92.10741	1.6
93.03459	14.8
95.01424	4.1
96.96027	1.5
99.00904	1.5
99.04501	1.0
101.02438	29.2
101.03082	1.2
107.05051	1.8
109.02975	0.9
111.04571	1.3
113.02451	23.3
115.00420	1.1
119.03504	22.4
119.04930	6.2
120.42284	0.8
121.02950	46.1
122.03269	1.7
123.08187	1.4
125.02397	1.1
127.04001	1.0
129.01976	1.5
131.03500	1.8
134.03798	1.0
134.53226	0.9
135.04538	5.3
137.02362	0.9
143.03491	2.0
145.02988	3.3
147.04520	4.1
147.08136	1.1
149.04605	1.6
151.00394	1.2
151.04115	1.1
151.11337	0.9
153.09224	16.2
159.04512	0.9
161.02385	1.5
161.04591	3.7
161.06065	3.2
163.04044	1.3
171.10284	1.9
173.04536	7.1
176.04086	0.9
179.03600	0.9
179.03951	1.0
179.05626	13.8
187.11272	1.5
189.05472	1.1
191.05641	25.6
192.05945	1.2
205.12415	8.3
205.83882	0.9
211.07655	5.2
227.07162	1.0
228.07103	1.5
243.02992	1.2
255.03044	4.4
271.02457	7.0
285.03973	1.3
298.42499	1.0
300.02805	6.7
301.03613	3.3
319.22882	0.9
327.08914	1.1
357.12131	1.7
378.65799	0.8
385.18744	100.0
386.18741	1.5
437.14700	0.9
445.11356	1.9
463.08716	1.2
472.14856	1.2
472.21906	1.1
473.11258	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	471.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99327	0.8
65.66796	0.5
66.61348	0.6
87.71861	0.6
193.08092	0.6
256.93015	0.6
320.21771	0.8
357.95081	0.7
363.99728	0.7
407.33237	6.0
441.34082	1.4
453.34195	0.8
471.35031	100.0
472.35553	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	471.3487
Annotation	Odoratone
Peak:m/z	Relative Intensity
52.64094	0.5
57.03471	2.6
59.01393	2.6
61.98840	1.1
63.91782	0.6
71.05004	0.8
74.49762	0.5
88.23405	0.6
89.37299	0.6
96.13926	0.5
111.27571	0.6
191.05630	0.6
198.36134	0.6
224.94069	0.5
368.22073	0.6
411.25656	1.1
423.25739	0.9
453.33282	0.6
471.28043	7.0
471.34927	100.0
472.35193	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67138	0.5
63.14770	0.5
63.36856	0.5
71.01389	2.6
71.87930	0.6
78.63642	0.6
78.90901	0.6
80.54449	0.6
83.57824	0.6
85.02979	0.7
92.10781	2.3
93.03474	4.2
106.04272	8.2
107.05048	95.7
114.39313	0.6
119.05054	0.9
121.02968	100.0
123.04528	1.0
135.04556	6.2
138.03244	0.7
149.06061	1.1
149.66951	0.6
161.06113	2.8
179.03490	1.0
182.07320	0.7
191.05690	1.0
211.07727	7.1
212.99995	0.6
220.95363	0.7
226.10118	0.7
297.46481	0.7
381.81485	0.8
445.11490	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3485
Annotation	HEDERAGENIN
Peak:m/z	Relative Intensity
59.01390	3.6
61.98848	0.9
71.68540	0.7
73.14576	0.7
77.40861	0.7
83.52827	0.7
93.03462	0.7
94.55919	0.7
106.32935	0.8
106.75641	0.6
160.84312	1.3
162.83951	6.8
209.15677	1.0
229.22215	0.8
232.12738	0.8
246.72699	0.7
255.02420	1.0
351.18118	1.1
411.20840	0.8
471.35138	100.0
472.35626	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59329	0.5
55.80445	0.5
69.21552	0.6
97.06593	6.4
103.09415	0.6
104.52844	0.6
106.13594	0.5
129.94531	0.6
147.06581	0.7
162.76830	0.6
229.34596	0.6
291.54651	0.7
308.05307	0.6
389.28613	1.1
391.30252	5.6
405.31491	6.5
407.33255	12.4
437.30579	0.9
441.34055	1.4
451.32239	12.7
453.33841	60.6
454.34131	0.8
471.34912	100.0
472.35291	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
60.99316	6.6
61.98850	0.9
69.03461	3.9
78.48514	0.7
80.02703	1.3
85.65466	0.8
109.38432	0.9
125.32871	0.9
137.09721	1.7
144.56549	0.8
253.13857	1.0
375.26886	3.7
377.28485	4.5
391.30191	14.4
393.31638	1.4
407.33267	100.0
409.34888	11.3
411.32822	1.6
423.32800	1.3
427.35910	14.6
437.30859	3.4
441.33588	6.6
453.33890	15.1
459.35126	1.2
471.35199	28.2
485.32791	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	471.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31493	0.3
57.03455	1.3
59.01393	0.6
61.98819	0.3
71.05029	0.3
79.16067	0.3
82.23335	0.3
87.15413	0.3
97.02935	2.2
119.20177	0.3
195.69952	0.3
273.18567	0.4
275.20166	0.4
287.20215	2.5
289.21783	5.7
345.42606	0.3
409.31137	5.2
411.32761	22.9
427.35773	4.1
453.33585	2.3
471.34952	100.0
472.35251	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	5.5
59.98367	0.4
60.99319	0.4
71.05051	3.3
85.55293	0.6
89.58947	0.5
97.06617	0.8
105.36240	0.5
122.78648	0.4
124.45498	0.5
141.89207	0.5
147.89211	0.5
158.24487	0.5
172.65520	0.5
212.06210	0.5
303.71762	0.6
407.33313	7.2
425.30719	0.8
427.36487	0.8
441.30219	4.3
453.34109	2.5
471.35242	100.0
472.35623	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54930	0.3
52.00933	0.3
54.56967	0.3
57.46452	0.3
93.78356	0.4
116.63560	0.4
264.07483	0.4
269.18201	0.4
471.34882	100.0
472.35297	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	471.3483
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
50.01448	0.3
53.62043	0.2
56.57642	0.3
60.09182	0.3
66.73089	0.3
96.64200	0.3
106.96094	0.3
117.11428	0.3
121.84090	0.4
124.66994	0.4
141.46846	0.3
208.21887	0.4
385.13388	0.4
471.34875	100.0
472.35080	2.5
477.09375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.349
Annotation	Hispidone
Peak:m/z	Relative Intensity
51.47637	0.4
53.48816	0.4
54.24585	0.4
59.01390	0.8
64.34620	0.5
66.96164	0.5
76.57696	0.5
77.14623	0.4
81.53481	0.5
97.06586	2.5
133.45525	0.5
162.32271	0.5
169.91531	0.5
182.12375	0.5
222.83418	0.5
323.05551	0.5
389.28665	0.7
389.68835	0.5
391.30417	0.8
405.31406	0.8
407.33319	2.2
416.14355	0.5
439.31662	1.0
441.33920	3.0
451.32288	6.0
453.34015	6.3
471.34863	100.0
472.35373	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36684	0.2
59.59044	0.2
60.46815	0.2
78.08316	0.3
81.54628	0.3
90.76708	0.2
92.10828	0.5
377.75082	0.3
393.31506	0.4
402.22983	0.3
403.84534	0.3
407.33191	1.2
437.30273	0.3
471.34879	100.0
472.35373	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	471.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93432	0.3
55.01078	0.2
59.02261	0.3
64.03056	0.3
66.25291	0.3
67.54998	0.3
68.43047	0.3
70.37038	0.3
73.98273	0.3
74.43605	0.3
78.27646	0.3
80.20461	0.3
92.10827	0.6
140.62022	0.3
144.30212	0.4
176.19856	0.4
243.47403	0.3
257.61920	0.3
267.56656	0.3
457.10663	0.4
469.86664	0.3
471.34863	100.0
472.35504	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26377	0.2
64.04659	0.3
68.93118	0.2
82.12189	0.2
83.96171	0.2
95.36638	0.2
101.85679	0.3
105.82047	0.3
377.28464	0.3
389.79575	0.3
393.31793	0.4
423.32660	1.0
471.34875	100.0
472.35236	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	471.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95482	0.6
61.58606	0.6
61.73276	0.7
64.34402	0.7
71.31213	0.6
77.32408	0.8
88.94346	0.7
97.06609	5.0
114.11430	0.7
138.48207	0.9
193.77724	0.8
196.75598	0.8
205.56717	0.8
223.56834	0.8
246.93382	0.9
391.30148	7.3
405.31619	6.1
407.33267	10.7
411.32785	3.6
423.28955	1.8
451.32291	12.5
453.29077	1.4
453.33844	52.7
471.34903	100.0
472.35443	2.7
476.97232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93979	0.9
59.01395	15.2
61.98850	1.6
62.05853	0.8
66.03687	0.9
68.52645	0.9
78.95916	0.9
85.02954	1.0
89.02484	1.6
92.10137	1.1
93.03469	1.3
106.04257	47.9
106.04963	1.8
108.02148	1.1
109.50092	1.1
121.02975	5.6
138.03255	10.5
150.03218	3.9
161.09738	77.9
173.04666	1.6
182.02216	2.1
198.56537	1.0
205.08736	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	471.3124
Annotation	Kuguacin Q
Peak:m/z	Relative Intensity
57.03472	3.0
59.01393	13.2
61.98859	5.7
68.19567	3.2
71.79084	2.5
74.18652	2.6
80.34528	2.7
88.40198	2.9
131.35423	3.4
471.30966	100.0
471.35406	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
77.50921	0.3
91.98862	0.3
92.10072	0.4
109.25702	0.4
191.30190	0.3
375.96753	0.3
471.34882	100.0
472.35422	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	471.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65724	2.0
56.20258	1.5
59.01385	25.1
61.98841	3.9
67.35410	1.7
68.26425	2.0
71.01382	13.5
84.14937	1.8
87.00882	3.0
95.27459	1.9
99.00892	2.4
113.02454	8.6
121.02959	100.0
135.04536	84.6
161.09772	18.2
163.04034	8.0
205.08693	22.3
231.63875	2.0
236.10916	2.1
247.09981	3.1
349.12860	9.9
453.33801	12.5
471.16714	65.9
471.29694	33.8
471.35303	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09732	0.8
57.20916	0.8
59.01391	21.2
59.01664	1.7
61.98853	1.3
69.03473	1.3
71.01386	18.3
71.95702	1.1
73.02955	6.2
75.00885	1.4
81.03448	1.2
82.95457	4.4
84.95131	1.9
85.02953	18.6
87.00926	2.0
89.02468	6.9
93.03474	7.0
95.01431	1.6
96.95994	1.3
97.02956	1.6
99.59954	1.1
101.02455	6.9
108.02176	1.9
109.02972	1.5
113.02471	6.0
117.03495	1.6
119.03513	1.6
121.02962	6.8
131.03592	1.2
132.02170	16.2
133.02983	4.8
134.03755	42.6
135.04541	6.2
137.02417	4.9
147.04538	4.6
149.06058	6.5
152.01175	2.0
158.03804	1.2
160.01677	100.0
161.04517	1.8
163.03999	2.1
173.06076	1.1
175.04025	97.8
176.04842	12.7
177.02023	1.6
178.02701	2.4
179.03546	1.8
179.05594	1.3
191.05605	5.8
191.07175	14.7
193.05080	45.0
207.06712	1.8
235.06148	24.9
245.09341	4.1
265.05026	4.9
265.07449	8.6
295.08276	13.2
355.10190	1.6
385.18948	3.7
397.11462	59.2
471.15594	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	471.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34586	0.1
54.07370	0.1
59.01393	3.3
59.45759	0.1
61.98839	0.2
71.01397	1.4
73.02957	0.2
85.02958	0.3
88.98818	0.9
89.02416	0.2
93.03467	1.1
101.02457	0.5
110.16542	0.1
113.02454	0.2
117.03471	29.1
119.05028	14.4
119.42638	0.1
121.03004	1.0
123.04509	0.2
131.05028	0.6
132.05812	0.3
133.06593	2.0
135.04555	0.2
137.02515	1.2
145.02969	100.0
146.03352	0.6
147.04541	0.2
150.28142	0.2
159.04504	1.0
161.06082	3.8
163.04025	12.4
164.04503	0.2
173.04697	0.1
177.05568	1.4
182.60573	0.1
187.04028	2.4
191.05869	0.1
191.65614	0.2
200.18643	0.2
205.05087	1.9
235.06154	1.5
265.07193	3.6
307.08282	8.1
325.09351	1.1
351.08643	0.2
411.11078	1.0
453.11655	0.2
471.13034	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	471.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98188	0.1
52.10255	0.1
57.03452	0.9
59.01110	0.1
59.01387	2.8
60.99303	0.5
61.98833	0.2
62.04587	0.1
65.03972	0.1
67.01897	4.0
69.03468	0.9
70.26015	0.1
71.01379	2.9
71.05026	0.1
81.03461	0.8
83.01373	0.1
83.05033	1.0
85.02967	0.6
87.00861	0.2
93.03456	24.4
95.01369	0.2
97.03026	0.1
99.00915	0.2
99.04524	0.1
101.02477	0.1
101.60649	0.1
109.02948	1.0
111.00873	1.0
111.04532	5.6
113.02430	0.2
121.02957	25.1
123.04507	0.5
127.03990	0.5
133.02982	0.1
134.03734	1.0
137.02452	5.7
155.03517	4.2
160.01685	0.9
167.03540	1.2
173.04564	100.0
174.04897	0.7
175.03958	0.8
193.05115	0.3
228.33522	0.1
295.08289	26.1
296.08618	0.2
349.09372	1.8
433.11810	0.1
471.12936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85752	1.2
57.03455	1.9
59.01390	29.6
59.01658	2.0
59.19408	1.0
61.33625	1.3
61.98851	6.7
67.94473	1.4
71.01391	7.5
81.03511	1.8
82.95427	8.4
85.02972	1.5
89.02464	1.9
93.03456	17.8
96.95994	1.5
101.02458	1.5
109.02966	1.6
111.04516	2.9
113.02457	1.8
121.02954	100.0
125.02448	2.0
133.02975	6.9
134.03734	41.5
137.02412	10.9
145.03011	2.1
147.04492	1.4
148.22011	1.3
149.06084	7.0
155.03517	9.2
160.01672	24.6
173.04556	38.8
175.04005	16.3
177.01929	14.0
191.05643	2.3
193.05066	28.1
221.70891	1.3
249.14964	7.7
295.08270	12.1
349.09338	50.5
356.70035	1.3
471.26175	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.7
61.24775	0.4
65.03971	1.0
67.01889	2.4
67.97070	0.5
69.03470	0.8
71.01381	2.5
80.23742	0.4
81.03464	0.5
83.05020	0.5
85.02975	0.4
87.00873	0.7
92.17853	0.4
93.03461	100.0
109.02968	2.2
111.00865	0.7
111.04531	6.8
117.03490	1.7
121.02963	91.0
127.04010	1.1
132.02171	2.2
133.02998	3.2
134.03754	30.3
137.02457	78.8
149.06050	3.8
150.99382	0.5
155.03535	15.8
160.01675	19.5
161.02068	0.6
173.04570	99.6
175.04025	16.9
176.04297	0.7
178.02760	0.8
193.05098	15.5
295.08289	37.0
334.07169	1.9
349.09369	32.3
349.13611	0.9
471.14362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21190	0.3
54.82903	0.3
58.17706	0.3
58.55791	0.3
59.01387	6.7
61.98844	2.0
64.92914	0.3
68.86786	0.4
71.01387	11.0
72.99304	0.3
75.00894	0.3
82.92735	0.3
85.02973	0.4
89.02476	0.4
93.03484	0.3
96.96006	1.5
99.00890	0.3
101.02438	0.3
103.00414	0.5
109.02997	0.6
113.02448	0.3
115.00385	6.4
116.92797	0.4
121.02970	2.0
133.02982	1.3
134.03758	60.7
135.03104	0.4
135.04140	0.4
137.02469	10.0
139.04007	3.0
149.06105	18.1
150.03255	0.6
152.01152	0.4
165.01913	1.6
165.75673	0.3
166.02286	0.7
167.02367	0.4
178.02739	40.8
180.04276	0.8
182.04958	0.3
190.06384	0.4
191.05661	2.0
193.05089	100.0
195.06673	0.5
204.04321	5.8
219.06657	3.2
229.81772	0.3
249.07773	6.0
249.52983	0.3
254.01385	0.3
263.32980	0.4
355.10416	16.6
428.72324	0.4
441.53897	0.3
486.20529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.4
57.03465	0.4
59.01389	6.5
59.01657	0.4
62.56219	0.2
69.03481	0.2
71.01384	8.3
72.99308	0.5
73.02951	4.5
74.85870	0.2
78.77473	0.2
78.95927	0.4
81.03453	0.3
83.01400	1.0
83.05051	0.4
85.02955	9.9
85.03459	0.3
87.00893	2.7
89.02448	3.8
93.03455	2.8
95.01392	0.5
96.96013	2.0
96.96995	0.3
97.02950	0.4
98.95612	0.5
99.00895	1.0
99.04544	0.4
101.02446	4.6
108.02205	0.2
109.02926	0.3
111.00871	0.4
111.04545	1.3
113.02442	3.0
115.00391	0.3
116.92863	1.8
117.01956	2.9
119.03516	1.2
125.02441	0.4
127.04006	2.0
133.01451	0.3
133.02977	0.5
135.04535	1.3
143.03476	0.4
147.03047	0.4
147.06604	0.4
155.83401	0.2
159.03061	0.3
159.06677	0.3
160.21933	0.2
161.02455	1.3
161.04591	2.7
171.02980	0.4
173.04530	1.5
175.06143	0.3
179.03476	0.3
179.05611	0.5
191.05643	100.0
192.06000	0.5
221.06558	0.3
249.09898	1.9
309.11996	0.3
353.08862	8.6
411.06433	0.5
411.15134	8.4
471.17331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64402	1.1
52.41687	1.0
61.98835	100.0
74.79004	1.3
74.93738	1.1
76.93008	1.1
77.38794	1.1
78.72900	1.2
213.57829	1.7
220.04837	1.4
356.30353	1.2
470.57999	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	470.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.1
55.28268	0.6
55.72938	0.7
57.03469	1.9
59.01394	16.5
61.98847	10.6
63.13312	0.7
70.63882	0.8
71.01391	35.3
73.02944	11.0
75.00871	1.5
75.95415	0.6
83.01409	4.8
85.02957	18.2
87.00906	3.6
87.52632	0.8
89.02448	100.0
93.03474	5.2
94.03826	0.8
95.01378	3.2
96.96017	3.1
97.02921	1.0
97.50329	0.8
99.00883	5.7
101.02445	19.1
109.03009	1.5
113.02457	14.9
116.05070	3.6
119.05021	1.6
121.02948	6.3
125.02457	1.0
125.92245	0.8
131.03741	0.8
133.05083	14.5
135.04546	3.2
137.02484	1.2
143.03505	1.5
151.00365	1.1
159.03044	4.4
160.04053	48.2
161.04576	56.9
173.04584	3.3
175.04025	1.1
188.05649	19.6
191.05653	5.5
193.06119	0.9
204.03070	1.0
204.29692	0.9
226.23216	0.7
264.06509	0.9
272.06354	1.1
294.09790	8.2
331.21228	0.9
470.11047	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	470.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70179	0.2
51.32307	0.2
57.47617	0.2
59.01404	0.5
65.35486	0.2
66.23082	0.2
67.82233	0.2
71.01403	0.4
85.02985	0.3
91.58358	0.2
92.10770	0.6
93.03482	0.4
94.58543	0.3
96.95998	0.4
101.02597	0.2
118.02994	2.1
121.03017	0.4
126.09978	0.3
129.12206	0.3
131.03770	2.6
132.04567	6.8
136.00348	0.3
148.30121	0.2
159.03275	26.7
160.04060	100.0
191.05621	0.6
204.03053	4.4
264.06757	0.5
333.11789	0.3
336.53317	0.3
363.56113	0.3
426.12158	5.6
470.10986	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	470.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18202	0.2
54.73015	0.2
55.01888	0.6
55.79441	0.2
59.01386	2.9
60.93277	0.2
61.98836	1.3
71.01386	5.3
73.02945	2.3
75.41892	0.3
75.68047	0.2
83.01375	0.6
85.02948	3.1
88.86241	0.3
93.03467	0.3
95.01427	0.4
98.37402	0.2
99.00914	0.5
101.02436	3.0
113.02448	2.8
117.03494	0.6
119.46816	0.2
121.02978	1.2
131.03761	1.5
132.02174	24.6
133.02989	2.3
134.03741	19.6
135.04527	0.5
137.02415	0.5
147.04575	0.3
149.06085	2.7
160.01671	100.0
161.02213	0.6
161.04576	2.5
167.24849	0.2
175.04015	84.7
176.04420	0.5
178.02731	0.4
179.03625	0.3
191.05614	0.5
193.05078	13.1
214.36491	0.3
337.09396	8.3
470.14633	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.6
57.03472	0.6
58.64595	0.3
59.01392	1.9
61.98848	1.4
71.01384	5.3
72.07327	0.3
73.02942	2.1
83.01399	0.7
85.02950	2.5
87.00862	0.3
93.03457	0.5
96.97424	0.3
99.00877	0.5
101.02457	2.7
113.02432	3.0
115.05105	0.7
117.03442	0.4
121.02990	0.7
131.03796	0.7
132.02187	21.6
133.02950	2.3
134.03748	18.2
137.02428	0.7
149.06097	1.7
155.64188	0.3
160.01680	100.0
161.02339	0.5
161.04631	2.1
161.05731	0.3
175.04028	85.3
176.04395	0.5
193.05078	13.4
195.50505	0.3
330.35760	0.3
337.09360	10.4
390.20303	0.7
470.14636	31.3
471.15201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3328
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
74.63454	0.4
110.15442	0.4
117.79816	0.5
191.65887	0.4
206.79164	0.5
285.54184	0.4
377.28976	0.6
469.33347	100.0
470.33658	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	469.3331
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
51.36097	0.1
56.65853	0.2
58.71608	0.2
59.53995	0.2
75.29869	0.2
75.51167	0.2
82.27008	0.2
109.06606	0.2
146.81834	0.2
147.80823	0.2
189.20659	0.2
203.02162	0.2
243.88925	0.2
328.64038	0.2
425.34338	0.2
451.32507	0.3
469.33319	100.0
470.33704	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	469.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74323	0.2
55.81688	0.2
57.03439	1.3
83.05035	0.7
88.53850	0.3
118.25288	0.3
223.85143	0.3
289.21713	0.6
376.41696	0.3
393.28159	3.2
405.31894	0.4
407.29477	3.1
409.31458	2.8
421.30722	0.4
423.32776	69.6
424.33212	1.3
425.34369	10.8
469.33325	100.0
470.33548	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12881	0.5
71.13085	0.5
74.64058	0.5
83.09530	0.6
92.38514	0.5
103.72466	0.6
130.15610	0.6
211.96910	0.7
248.22185	0.8
469.33313	100.0
470.33704	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	469.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.58632	0.5
64.34488	0.5
64.81537	0.5
94.87092	0.5
99.37061	0.5
154.19797	0.5
197.33244	0.5
202.69241	0.7
257.82825	0.6
377.28537	0.7
469.33347	100.0
470.33478	1.1
481.55048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.1
57.03471	1.2
59.01388	100.0
60.95663	0.7
61.98835	23.0
61.99122	1.1
64.26581	0.8
70.70908	0.7
71.01393	22.9
72.99320	1.2
73.02937	8.3
74.43311	0.9
83.01418	3.4
85.02966	11.0
87.00901	1.3
89.02457	12.0
92.10728	2.5
95.01427	1.6
99.00878	3.1
101.02445	18.4
103.00512	0.8
109.02998	1.1
113.02467	10.0
114.52151	0.9
119.03508	4.8
133.03020	1.1
143.03471	1.5
159.02998	1.3
161.04549	12.0
168.06778	0.8
173.04512	1.1
179.05588	7.7
181.98906	0.9
191.05609	3.4
210.71312	0.8
226.60344	0.8
247.11700	1.0
400.84869	1.0
409.17154	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3327
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
59.01374	0.3
63.11900	0.2
68.35801	0.2
92.10872	0.4
97.95225	0.2
107.69884	0.2
180.65775	0.2
290.25711	0.2
370.66028	0.2
377.28656	1.1
384.11179	0.3
393.31805	1.0
407.29926	0.3
423.32831	1.0
469.33310	100.0
470.33493	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	469.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82891	0.5
61.53569	0.4
65.53308	0.4
101.84511	0.5
173.11897	0.6
266.19550	0.5
292.51453	0.5
327.19138	0.5
425.34409	1.2
469.33319	100.0
470.33688	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	469.3328
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
56.80431	1.1
59.01397	2.9
62.53168	1.1
63.31370	1.3
69.03456	2.1
71.11671	1.2
74.55086	1.3
76.58065	1.3
77.74529	1.2
92.66132	1.7
97.06621	2.5
110.38441	1.5
187.38844	1.6
196.28842	1.4
220.89824	1.4
276.62509	1.6
285.16626	1.5
375.38022	2.0
389.28687	1.5
405.31827	7.1
407.33658	1.5
409.31149	13.0
423.32849	3.3
425.34366	66.9
439.32370	2.1
449.30847	1.9
451.32263	14.7
469.33420	100.0
470.33792	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	469.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43177	0.5
54.06169	0.5
55.01888	3.0
57.03463	1.1
59.01387	100.0
61.98842	5.3
69.03479	0.5
70.01855	0.5
71.01381	21.0
73.02941	7.8
79.41035	0.6
83.01407	2.9
85.02957	12.6
88.98789	0.6
89.02473	3.5
91.06747	0.6
95.01366	1.4
96.96017	2.6
98.02468	3.0
99.00919	2.6
101.02448	14.2
108.02203	0.8
109.02975	5.1
110.43202	0.7
111.00890	2.8
113.02457	9.0
113.39232	0.6
116.92848	2.7
133.03006	0.6
133.05092	1.1
135.04512	1.1
143.03474	1.0
148.04111	1.0
153.01962	0.8
161.04544	20.3
164.03560	1.0
173.00845	0.7
176.72105	0.6
179.03418	1.1
191.05602	1.5
235.08269	2.6
247.01064	0.6
252.58228	0.7
262.22952	0.7
277.03586	0.9
393.81219	0.7
409.17276	11.4
441.03210	0.7
469.19559	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.8
57.03451	1.2
59.01391	100.0
59.24044	0.4
61.98849	3.9
70.21652	0.4
71.01397	16.8
73.02962	7.5
83.01433	3.6
85.02969	10.5
87.00884	0.9
89.02468	2.0
93.03455	0.5
95.01420	2.1
96.96021	3.1
97.02972	0.6
99.00907	3.1
101.02460	10.5
108.02174	0.7
109.02953	2.1
111.00900	2.5
113.02460	7.8
114.25295	0.5
115.00386	0.9
116.92866	0.8
120.03646	0.4
120.87316	0.5
125.02434	0.7
135.04515	2.6
159.03012	1.1
159.06586	0.5
161.04588	16.5
161.05894	1.1
179.03542	3.1
191.05653	8.1
235.08229	0.7
307.08157	0.6
314.74408	0.5
343.19391	0.5
409.17252	7.7
469.15552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60079	0.6
53.89550	0.6
55.01887	2.4
56.34124	0.6
57.03453	0.9
57.48385	0.5
59.01387	100.0
61.98845	4.1
63.90496	0.6
64.29848	0.6
64.34750	0.6
71.01386	20.6
71.11660	0.6
73.02938	6.2
81.46858	0.7
83.01401	3.4
85.02953	12.2
86.11952	0.6
87.00880	0.8
89.02457	0.7
93.03494	0.9
95.01434	0.7
96.96024	4.0
99.00931	2.4
101.02448	13.3
108.02182	0.6
109.02950	3.5
111.00905	2.3
113.02481	9.3
116.92860	1.2
131.29970	0.6
135.04517	2.8
139.10197	0.7
159.03030	1.2
161.04590	14.4
179.03613	1.0
187.07759	0.6
191.05646	7.3
196.14383	0.6
215.01247	0.6
235.08241	0.8
279.67206	0.6
409.17117	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	469.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	3.6
56.99817	0.5
57.03454	6.9
58.00616	0.9
59.01387	62.8
60.15187	0.4
63.60624	0.5
67.01906	1.9
68.99843	1.5
69.03468	0.7
71.01388	60.1
72.01718	0.4
72.99315	7.0
73.02952	7.5
74.02457	0.4
75.00897	1.6
77.41889	0.4
78.95937	0.5
83.01397	11.3
83.05038	0.5
84.99309	0.7
85.01035	0.4
85.02964	27.0
87.00886	7.1
89.02454	44.4
93.03481	0.6
95.01400	2.8
96.22990	0.4
96.96004	0.6
96.96991	0.5
96.99326	0.4
97.02977	1.7
98.02395	0.5
99.00884	31.1
100.07626	0.5
101.02447	22.9
111.00884	10.3
111.04562	0.5
112.98818	100.0
113.02451	16.7
115.00380	8.4
115.04018	4.5
116.07192	0.7
119.02652	0.6
119.03503	16.6
122.06104	0.4
124.98811	2.7
125.02452	0.8
127.00367	1.9
129.01938	5.9
129.10323	2.8
130.08691	0.7
131.03496	3.6
132.03836	0.5
133.05013	1.0
142.01465	0.8
142.99873	16.7
143.03506	3.4
145.01424	10.0
146.06096	0.5
147.02924	0.6
148.07745	1.5
149.04526	1.0
161.00926	0.5
161.04578	9.0
172.99425	0.7
173.00914	21.1
173.04507	3.5
173.08034	0.5
173.09334	7.9
175.02457	2.8
175.06110	0.6
179.05624	17.5
187.10796	0.8
191.01985	0.7
191.05554	0.6
221.06714	5.1
235.08278	5.0
295.09763	0.9
297.82513	0.4
410.06979	0.4
438.14423	0.5
469.11096	0.7
481.34943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73857	1.0
55.01899	6.2
58.90842	0.8
59.01391	10.5
61.98850	2.3
67.01913	1.3
69.03471	100.0
71.01384	8.3
72.99338	4.6
75.00882	1.0
75.16581	1.0
79.66458	0.8
80.91698	4.0
81.03490	1.1
82.95464	1.2
83.01387	1.3
85.02978	5.0
87.00904	5.9
89.02468	1.5
93.03486	14.4
95.01444	1.8
96.96034	2.2
97.02963	30.8
99.00898	23.6
101.02448	1.3
111.00905	1.5
113.02447	1.3
115.48203	1.0
118.42142	1.0
121.02974	56.4
123.00981	1.7
135.04547	47.8
137.02448	25.8
141.01959	11.5
163.04051	3.5
170.19489	1.0
185.00922	29.4
191.05634	6.8
192.05984	4.5
193.06102	1.7
396.04465	1.3
469.09970	56.5
469.16415	2.5
470.10507	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37444	0.2
55.65926	0.2
55.72194	0.2
59.01386	5.9
60.01722	0.4
61.01817	1.0
61.98837	100.0
71.01391	1.2
78.66042	0.3
78.95914	0.4
79.64046	0.2
83.20537	0.2
89.02435	1.8
93.03455	0.3
96.96021	1.5
96.96964	0.4
101.02473	0.4
113.02494	0.3
116.92924	0.4
129.05550	0.3
137.02463	0.4
179.03468	0.3
191.05617	1.0
239.15234	0.3
253.37476	0.3
307.32809	0.3
408.22296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	4.8
60.01732	0.3
61.01820	0.5
61.98843	100.0
65.21071	0.2
68.34711	0.2
71.01387	1.8
73.02962	0.3
78.95911	3.3
83.01395	0.4
84.04538	0.2
85.02980	1.0
89.02470	1.6
90.02798	0.3
93.03513	0.2
96.96019	1.1
96.96971	1.1
99.00900	0.4
101.02457	1.5
108.16598	0.2
111.00944	0.2
113.02465	0.4
116.92905	0.5
119.03474	0.4
121.02959	1.1
133.98366	0.2
134.90028	0.2
142.04443	0.2
165.01932	0.3
180.06279	0.2
191.05678	0.8
199.80168	0.2
223.61810	0.2
329.84119	0.2
407.21884	0.7
408.22305	0.9
441.10367	1.0
468.09967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73196	0.1
57.03468	0.2
59.01389	4.9
60.01719	0.3
61.01811	0.4
61.98837	100.0
63.79054	0.1
71.01384	1.6
78.95900	2.5
83.01398	0.7
85.02956	0.8
87.00913	0.3
89.02438	1.4
90.02782	0.2
91.02917	0.2
96.95990	0.8
96.96974	0.8
99.00873	0.3
101.02422	1.2
109.94289	0.2
113.02458	0.4
116.92876	0.3
119.03523	0.3
121.02964	0.4
121.03867	0.2
125.02428	0.2
127.02853	0.2
135.04535	0.2
165.01947	0.2
173.32237	0.2
191.05592	0.7
231.40184	0.2
407.21771	0.3
408.21848	0.8
432.16080	0.3
436.30795	0.2
441.10532	0.9
460.43491	0.2
468.10400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46161	0.1
53.59468	0.1
57.03460	0.2
58.28228	0.2
59.01387	4.6
60.01725	0.8
61.01810	0.9
61.98836	100.0
71.01383	0.4
81.09727	0.2
89.02448	0.9
97.47440	0.2
119.03448	0.2
119.08414	0.2
150.10059	0.2
153.92332	0.2
167.10730	0.7
168.11084	0.3
205.67346	0.2
246.21286	0.2
354.56644	0.3
355.59094	0.2
407.21973	0.2
408.22232	0.4
444.41431	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20358	0.1
59.01400	0.2
59.94475	0.1
61.98838	100.0
69.03474	0.2
93.03463	0.8
94.03844	0.2
121.02950	0.2
137.02426	0.2
146.70692	0.2
169.99942	0.2
201.88138	0.2
231.11786	0.2
245.07114	0.2
252.78885	0.2
408.12738	0.7
457.89923	0.2
476.41818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12648	0.3
59.01392	2.9
60.99320	0.6
61.98837	100.0
63.42172	0.3
67.01898	1.4
69.03457	0.7
71.01386	0.6
71.89950	0.3
72.90902	0.3
74.02522	0.3
79.95754	0.4
80.05061	3.2
81.53992	0.3
82.34402	0.3
85.02973	0.5
87.00868	2.6
92.10777	1.5
93.03460	12.8
108.30800	0.4
110.81962	0.3
111.02034	0.6
111.04523	1.4
115.08781	0.6
119.05019	2.1
121.02937	1.8
134.03740	0.6
134.06081	0.5
135.04526	1.5
137.02455	1.6
141.06734	6.3
142.58208	0.3
145.02979	1.4
155.08260	0.4
157.80215	0.3
163.04018	2.3
173.04593	4.8
174.07124	0.3
178.02701	0.6
180.06660	4.3
183.04489	0.4
191.05618	0.7
200.05849	0.4
223.10870	0.5
279.13412	0.6
302.02670	0.4
404.18356	15.2
406.17496	0.6
426.51056	0.4
449.14557	5.7
467.15317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3172
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.42708	4.4
52.37761	4.3
60.87729	3.9
61.98831	7.8
95.29003	5.2
96.51960	4.6
122.18869	4.2
148.26971	5.0
347.99500	5.2
407.30020	5.8
421.31213	100.0
431.00854	5.2
467.31683	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84122	63.2
54.56934	58.5
54.79859	59.5
59.01387	100.0
60.60626	72.3
61.98856	94.1
70.49063	70.6
105.94173	84.5
186.65851	72.6
304.86658	92.9
315.21555	83.1
411.26306	76.6
427.93353	99.4
440.95087	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88024	0.2
59.01385	1.1
61.98837	100.0
62.50499	0.2
82.39571	0.2
93.03468	1.5
114.72696	0.2
137.02455	1.7
206.01843	0.2
317.47427	0.2
416.35095	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82741	0.2
59.01387	1.0
61.98837	100.0
67.63656	0.2
74.13943	0.2
87.00857	0.2
93.03434	0.3
108.02208	0.2
117.03693	0.2
121.02921	0.2
138.01962	0.5
139.02368	0.4
151.40869	0.2
154.38762	0.2
173.04414	0.2
191.05516	0.3
244.40298	0.2
320.10629	0.2
379.15836	0.3
389.59482	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07272	0.9
55.01881	1.2
55.58919	1.0
57.03458	7.4
58.00611	1.1
59.01388	99.5
62.93948	0.9
71.01383	36.8
71.05023	2.2
72.99323	1.9
73.02963	2.1
78.95901	1.1
83.01415	1.6
85.02940	12.0
85.38374	0.9
87.00900	1.7
89.02449	43.5
92.10811	1.0
95.01392	3.9
96.96008	38.2
96.96604	1.5
96.96972	1.5
99.00777	1.0
101.02448	22.4
111.08163	4.1
113.02465	16.3
114.39524	1.0
119.03486	15.3
125.02461	11.1
125.06073	1.9
149.02489	1.4
149.09747	4.2
151.00392	1.7
153.01938	4.4
161.04579	5.4
167.10741	6.0
175.00369	1.4
178.99861	1.6
179.05617	6.4
181.12355	3.5
207.13921	13.9
225.14972	5.5
243.16100	6.7
261.12781	1.1
275.05737	2.1
277.91971	1.0
285.04037	5.2
303.05121	4.4
321.25223	1.1
387.20209	7.7
405.21381	100.0
406.21957	1.4
480.61880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39936	0.3
57.03444	0.5
59.01388	100.0
71.01389	5.3
85.02975	0.5
89.02448	7.5
89.16107	0.3
101.02454	2.0
113.02447	2.2
119.03517	4.2
143.03435	0.5
161.04605	1.2
179.05634	2.8
397.77695	0.3
405.21384	3.9
465.23358	0.6
465.99496	0.4
491.40262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	0.5
55.37818	0.5
57.03458	4.1
58.00615	0.7
59.01393	100.0
60.62750	0.4
61.98826	0.6
67.01926	0.6
71.01392	24.4
72.99323	1.4
73.02962	2.9
75.00889	3.1
78.91909	0.8
79.95739	0.7
81.03474	0.7
83.01392	1.1
85.02963	9.0
87.00877	3.4
88.98828	0.7
89.02450	25.2
92.10786	1.2
93.03468	3.9
95.01379	1.0
99.00906	1.1
101.02441	14.8
109.02962	0.6
113.02444	10.9
113.03139	0.6
115.07661	3.1
119.03487	12.2
119.05022	0.7
121.02934	2.3
123.04561	3.1
125.02426	6.3
125.09731	18.8
129.01903	0.6
131.03447	0.6
135.04538	1.4
137.02501	0.8
137.09799	0.7
138.05655	0.7
139.07651	2.3
143.03513	1.3
147.03246	0.6
148.04070	0.7
151.04025	2.6
153.09238	0.9
155.10776	11.1
161.04663	4.3
163.04028	0.9
171.10330	1.4
173.04568	0.9
174.69252	0.5
177.04065	1.3
179.05605	7.1
190.05086	1.3
191.05659	13.2
192.06642	0.9
194.08214	3.0
199.09845	2.5
201.09370	0.7
225.14963	3.3
227.12769	0.9
229.08653	0.8
243.16084	2.9
275.05606	0.8
285.04254	0.8
317.12558	1.0
387.20309	3.3
405.21393	43.3
465.10214	4.7
465.15582	2.1
465.23480	1.1
468.07089	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71118	0.7
58.00611	3.1
59.01390	26.1
61.98833	8.9
71.01398	2.9
73.02966	1.5
85.02962	4.1
87.04522	14.6
89.02463	0.8
93.03436	1.1
97.02951	1.5
97.06612	1.0
101.02474	3.5
109.16869	0.9
113.02478	0.9
114.03165	0.7
121.02963	100.0
122.03320	1.0
125.02501	0.9
135.04530	3.1
135.08170	1.4
137.02409	1.3
137.09717	13.0
138.05598	3.0
139.05984	1.2
139.07637	1.7
139.11270	0.9
151.11327	1.2
152.99608	1.4
155.10808	63.2
163.11244	1.0
167.10846	1.0
169.12386	1.9
173.04575	1.1
179.10764	1.7
181.08725	4.0
191.05669	1.0
191.10828	1.5
193.12320	0.8
195.10246	1.9
199.09814	31.9
213.11415	1.2
223.09944	1.1
237.11201	1.1
241.10840	11.5
253.10916	1.9
255.12296	0.9
283.11893	16.8
288.64014	1.0
343.14047	10.4
405.13617	1.2
465.17560	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30910	7.2
59.01390	100.0
59.45066	6.9
61.98848	40.1
93.03507	8.5
129.36531	8.8
132.16725	8.4
196.55133	9.9
306.17108	8.7
307.15729	9.6
390.65121	10.2
440.87067	9.2
459.94171	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	465.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	100.0
61.98848	64.0
65.38224	14.5
66.94317	12.6
108.22013	12.3
108.67187	12.6
109.94772	13.2
121.03059	14.4
224.62657	15.0
395.47141	14.0
405.21112	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	465.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85165	0.7
58.00601	3.8
59.01389	73.0
59.44503	0.8
67.68924	0.8
71.01385	34.6
72.99335	1.6
73.02939	1.7
83.01395	1.8
85.02950	10.0
87.00908	5.3
89.02440	43.2
92.10164	1.6
95.01391	1.5
96.96014	1.3
101.02439	18.4
113.02453	11.4
119.03497	18.6
121.02955	1.5
131.03514	1.5
137.02411	1.5
143.03513	1.9
149.02446	15.5
149.04543	1.4
152.32724	0.9
153.05634	0.8
155.53435	0.8
161.04526	3.9
165.02052	0.8
177.01938	100.0
179.03600	0.8
179.04176	0.9
179.05634	11.4
191.03479	1.1
191.05685	1.0
192.04301	39.5
195.02975	8.7
195.06577	1.1
207.06659	12.0
210.05325	9.5
223.06508	0.9
225.07719	14.6
254.96820	1.1
267.60208	0.9
367.25058	0.9
387.13025	19.4
405.14444	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79712	0.1
59.01391	3.3
60.01711	0.2
61.84627	0.2
61.98837	100.0
71.01379	0.3
77.20538	0.2
79.87685	0.2
111.55680	0.2
121.02982	0.3
122.09377	0.2
159.81783	0.2
191.05685	0.2
193.78246	0.2
320.00266	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1047
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03450	8.5
59.01390	35.3
59.62548	0.6
61.98829	3.6
61.99139	0.8
62.68522	0.8
65.00340	3.2
69.03490	0.8
71.01382	11.4
71.05025	0.6
72.99330	1.0
73.02950	1.8
75.00882	3.3
78.89370	0.6
78.95908	0.9
81.03484	1.2
83.01395	8.0
83.61317	0.6
85.02950	6.0
87.00877	1.2
89.02444	10.4
93.03461	3.5
94.02527	0.7
95.01374	1.2
96.96010	40.6
96.96968	2.6
97.02929	0.8
97.90205	0.7
101.02470	6.2
107.01357	6.2
108.02152	1.6
109.02958	6.9
111.00835	0.8
111.26681	0.7
112.49213	0.8
113.02448	3.8
119.03499	2.9
119.05070	1.0
121.02953	4.8
123.04522	4.8
123.89732	0.8
124.01669	1.7
125.02443	100.0
137.02435	5.6
138.03258	1.0
139.04030	3.9
149.02454	14.7
149.09709	0.8
151.00368	26.2
151.04021	3.5
152.01178	3.1
153.00710	0.9
153.01955	26.4
161.02441	0.8
161.04556	1.5
161.06090	0.7
163.00462	0.9
164.01093	1.0
165.01912	2.8
166.02689	4.0
167.03477	3.3
167.10753	0.9
169.01337	0.8
171.04526	1.3
174.03221	1.8
175.00424	6.1
175.04021	10.7
177.01938	12.9
177.03397	0.9
177.04005	0.7
178.99881	21.4
179.03459	1.2
179.05603	1.6
181.01424	15.6
188.04803	1.1
189.05595	4.2
191.03654	2.6
191.05661	4.4
195.02948	3.2
199.04024	7.7
201.01955	1.3
205.01547	0.8
211.77783	1.0
213.05612	1.6
214.02972	0.8
216.04442	0.8
217.05067	8.0
225.15009	1.1
231.06712	0.9
241.05098	9.2
243.02818	1.4
259.06158	2.8
275.05658	17.1
285.04102	42.1
299.05637	3.7
303.05161	50.8
329.08768	1.5
341.05063	5.2
343.06729	4.8
405.21710	8.5
437.10794	1.4
447.09613	1.0
465.10297	1.7
465.19867	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25878	0.2
57.03465	0.2
59.01384	2.5
60.01712	0.2
61.01814	0.4
61.98836	100.0
71.01382	2.4
72.01732	0.4
73.02950	0.8
83.01400	0.3
85.02945	1.3
93.03464	3.7
94.03798	1.5
97.35838	0.2
101.02444	2.1
102.02789	0.5
103.02877	0.4
113.02390	0.3
114.02952	0.2
120.03866	0.3
137.01447	0.4
137.02460	6.3
138.02789	3.1
161.04605	0.3
269.10294	1.0
270.10666	1.0
271.10809	1.2
272.11139	1.4
315.05157	0.3
365.97348	0.3
404.15482	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	464.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.2
58.66944	0.2
59.01396	2.6
61.98838	100.0
71.01409	0.5
73.73293	0.2
75.00877	0.5
78.24906	0.2
85.02980	0.3
89.02484	0.3
91.01903	1.2
93.03447	0.3
119.04991	0.4
121.02951	5.1
122.02512	0.4
122.03289	3.0
123.03533	0.5
124.03780	0.3
125.02444	1.0
135.00903	0.4
135.03014	0.6
135.04521	1.2
136.04854	0.5
141.00948	0.2
153.02095	0.2
178.99852	1.3
191.05681	0.9
204.62917	0.2
247.20735	0.3
255.14735	0.2
288.26553	0.3
406.77539	0.3
464.08536	0.5
465.10440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68626	0.2
59.01398	3.5
60.01715	0.2
61.98843	100.0
68.00649	0.2
74.54110	0.2
77.33172	0.2
78.95919	0.3
93.03475	0.2
113.02440	0.2
121.02924	0.2
173.04388	0.3
300.15991	0.2
470.05627	0.2
470.18271	0.3
472.35318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	56.1
107.42599	1.1
123.04505	2.0
123.49124	1.3
139.07605	1.3
170.05840	15.4
177.09267	2.6
228.73149	1.2
246.48898	1.2
292.63922	1.4
298.65045	1.3
386.19141	1.3
403.35870	100.0
419.35501	9.1
463.38000	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3801
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
59.01398	10.1
109.09874	1.8
120.05814	3.1
125.06119	2.7
135.08176	30.5
137.06105	3.3
153.09253	2.3
403.36340	2.9
421.36899	39.6
463.38147	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	464.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.2
61.98835	10.0
63.99246	0.1
78.95930	0.2
80.67770	0.1
102.84649	0.1
108.02186	10.2
121.02958	1.2
122.02460	0.7
138.01981	100.0
151.02768	1.0
152.03439	0.1
152.99602	0.2
158.63608	0.1
159.75308	0.1
160.04062	0.2
180.03032	0.7
256.19296	0.1
271.38519	0.2
344.80231	0.2
388.58273	0.1
444.24619	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	463.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.4
57.03469	0.9
58.00624	0.6
59.01394	100.0
60.57359	0.4
61.98840	1.6
66.71735	0.4
71.01390	18.5
71.01785	0.8
72.99318	0.7
73.02568	0.5
73.02960	2.4
75.00879	0.9
78.78327	0.4
79.25545	0.4
83.01385	0.5
85.02966	5.4
87.00868	0.9
89.02448	20.1
93.03475	0.7
95.01388	0.8
96.96017	0.6
101.02451	9.2
113.02454	7.9
119.03511	7.3
121.02890	0.5
131.03503	0.4
137.02463	0.6
143.03523	0.7
149.04568	0.7
161.04553	4.2
165.09215	3.4
179.05602	6.4
191.05571	0.7
194.72121	0.4
378.36395	0.4
403.19781	6.8
463.13470	0.5
463.22113	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89474	0.5
55.01886	0.6
57.03459	1.1
58.00618	0.6
59.01389	100.0
63.73324	0.4
69.03465	2.1
71.01382	29.0
72.99314	1.0
73.02969	1.3
79.67441	0.5
83.01409	1.2
85.02958	7.9
87.00889	2.5
87.04510	0.7
88.98817	0.6
89.02449	36.0
92.10764	0.6
95.01400	2.9
101.02439	12.2
101.06084	1.1
113.02462	12.7
115.07678	2.8
119.03506	12.0
121.02953	3.0
122.03283	0.7
131.03467	1.0
135.04543	2.4
138.06923	0.8
143.03491	2.0
149.04486	0.7
153.09213	2.7
161.04579	4.7
179.05615	14.8
186.44865	0.5
191.05606	0.7
205.12260	0.7
223.13461	0.9
241.14502	11.6
265.97986	0.7
325.11353	1.0
385.18704	0.8
403.19827	5.1
427.18317	2.1
463.13541	3.0
466.52936	0.6
478.82416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80315	1.2
59.01388	100.0
59.35611	1.1
59.93641	1.3
63.48162	1.2
78.44418	1.2
85.53435	1.3
94.69349	1.4
173.91002	1.3
217.00328	6.4
227.20340	2.5
255.03163	1.5
255.18483	1.5
271.02448	6.3
300.02695	6.9
301.03503	2.0
373.12048	1.6
413.46628	1.9
463.09055	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	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.4
59.01389	8.3
67.01922	0.4
69.25913	0.3
69.35538	0.4
69.56281	0.4
70.68556	0.4
71.01391	4.9
71.48270	0.3
73.02951	0.9
73.15565	0.3
83.05047	0.4
85.02969	2.0
87.00885	0.5
89.02447	3.0
91.01895	24.2
93.03474	3.2
95.01386	0.4
97.06590	0.4
101.02450	3.8
109.02962	2.2
111.08187	0.7
113.02470	2.1
116.88095	0.4
119.03503	0.4
121.02952	6.0
135.00897	8.3
135.03001	2.1
135.04546	4.3
137.02455	0.7
153.01959	6.8
161.04655	0.7
165.12859	9.8
173.04500	3.8
174.04977	0.5
178.99875	22.7
183.13918	100.0
184.14183	0.4
191.05728	1.5
197.00917	1.8
200.20636	0.4
209.12018	0.5
227.12944	9.3
235.08344	0.4
253.09294	2.4
271.02539	0.5
275.63092	0.4
295.08188	0.6
300.02747	0.8
301.03464	0.4
345.15717	0.7
406.20129	0.4
463.08878	13.9
463.22018	42.1
464.08810	0.6
464.22592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	0.5
59.01387	9.2
61.98836	0.3
62.06911	0.2
63.35722	0.2
71.01380	5.5
72.88358	0.2
73.02961	1.8
83.01373	0.4
85.02967	2.2
87.00910	0.4
89.02443	5.4
91.01891	7.2
92.10854	1.2
95.01398	0.4
99.00873	0.3
101.02435	5.8
109.02965	0.3
111.08221	0.5
113.02496	2.7
115.08795	1.3
119.03512	1.5
121.02962	1.7
133.05115	0.3
133.89612	0.3
135.00911	3.3
135.04549	1.9
153.01932	1.9
161.04588	1.6
163.04034	0.3
165.12863	7.2
178.99879	6.9
179.05623	0.3
180.06628	0.3
183.13911	100.0
184.14243	0.4
197.00905	0.5
209.11836	1.3
215.47733	0.3
218.94981	0.3
227.12907	6.7
235.08203	0.4
253.09290	4.8
334.39102	0.3
439.82675	0.4
463.08960	4.9
463.22000	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16068	0.6
56.69090	0.6
59.01389	94.3
61.98840	30.7
61.99163	0.9
71.01395	2.2
73.02956	0.8
74.49721	0.5
78.95943	0.7
80.44986	0.5
91.01922	3.8
93.03487	1.4
101.02446	1.1
107.05045	53.8
109.02995	1.0
119.05033	47.9
121.02963	21.9
131.97037	0.6
134.03725	0.6
135.04559	5.0
137.02438	2.8
137.06093	100.0
153.01965	1.1
164.64418	0.7
173.04602	2.3
175.93062	0.6
178.99895	2.3
179.62799	0.7
191.05672	1.2
192.05995	0.7
211.13452	0.6
229.14493	0.8
255.02911	1.0
271.02551	2.2
295.36197	0.7
300.02792	3.0
329.23386	3.7
343.96259	0.6
401.32336	0.6
413.48389	0.7
463.08853	3.6
463.15305	0.9
463.29065	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.6
61.98837	100.0
71.01385	0.7
75.00878	0.3
84.91702	0.4
85.02929	0.6
91.01896	7.7
91.16286	0.3
93.03456	0.8
109.02945	0.5
116.92844	0.6
119.05000	0.5
121.02970	7.2
125.94244	0.3
135.00838	2.9
135.04478	2.4
136.05302	0.5
137.02470	1.9
153.01949	2.5
153.05640	0.5
163.04060	0.6
173.04480	1.4
178.02773	0.8
178.99861	7.9
191.05615	2.0
193.97173	0.4
197.00870	0.4
255.02931	0.7
256.03287	0.6
257.03662	0.7
271.02518	0.7
274.07632	0.4
283.02594	0.7
285.03058	0.8
299.05444	0.5
300.02676	1.5
300.05515	1.3
301.03412	0.6
301.06326	0.5
463.08493	5.7
463.30975	0.5
476.24313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
59.67025	0.2
66.55709	0.3
70.95335	0.3
71.01385	1.4
73.02949	60.1
74.70332	0.4
74.70769	0.4
75.39107	0.3
78.95907	0.7
79.51547	0.3
85.02933	0.4
86.23715	0.3
87.00877	1.2
89.02450	0.5
93.03462	0.7
94.12051	0.3
96.96014	3.0
96.96960	1.1
99.00882	8.1
99.56058	0.3
99.92590	0.7
110.02505	0.5
113.02560	0.4
115.00397	0.5
116.92863	10.2
117.01945	100.0
118.02251	0.5
133.01419	0.5
152.03513	1.0
153.01974	0.6
153.49075	0.4
165.05623	0.4
168.64758	0.3
172.85904	0.3
181.77505	0.3
191.05650	4.4
193.05220	0.3
208.03850	0.6
220.94185	0.3
223.06137	0.8
244.57256	0.3
289.26578	0.3
389.67151	0.3
396.64941	0.4
437.55682	0.3
488.65027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69495	1.0
54.94355	1.0
57.03439	1.1
57.81215	1.2
59.01388	50.4
71.01406	5.4
72.65160	1.3
73.03004	1.4
78.06403	1.1
78.95928	7.3
85.02970	2.5
87.00911	1.6
89.02444	1.3
93.03479	2.3
96.96017	63.1
96.96944	12.5
101.02452	1.8
116.92876	2.0
119.05067	1.5
135.02992	1.2
135.04601	1.3
137.02444	2.3
138.03238	2.0
139.04054	5.2
139.42973	1.4
150.03378	1.7
153.01984	8.7
153.05611	7.2
163.00392	23.8
168.04295	6.9
178.02734	59.3
181.01425	16.2
183.06619	31.1
193.05086	41.4
196.03793	7.0
197.93597	1.2
206.29106	1.2
208.03816	2.1
211.02814	1.5
211.04189	2.1
211.06155	63.9
223.06192	1.3
226.04887	8.7
241.07222	100.0
337.79800	1.2
463.14987	9.0
480.70673	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21478	4.2
56.57919	3.9
59.01391	77.6
71.01384	40.5
72.99310	10.2
73.02964	8.3
75.00896	5.9
85.02938	6.8
88.98846	10.2
89.02444	57.3
91.01895	10.6
92.10073	7.3
93.00455	4.8
101.02491	9.7
104.70619	5.2
106.34412	5.6
113.02467	5.7
121.02972	6.2
125.02462	26.3
129.21811	5.5
133.06621	24.4
135.00885	10.0
135.04535	9.8
137.67331	5.3
140.90314	5.0
149.04553	7.0
160.01683	47.1
174.90648	5.3
175.04007	61.3
178.99806	9.6
191.05588	12.1
197.04514	6.8
233.06682	8.2
293.08853	100.0
355.39468	5.4
384.34485	5.6
427.16144	97.0
463.14053	64.6
463.25089	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	463.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78911	0.6
57.03466	1.0
59.01387	75.6
68.73929	0.7
68.99843	0.9
71.01406	4.2
72.99336	4.0
73.02954	1.0
75.00870	36.0
83.01423	4.4
85.02960	1.2
88.53824	0.9
89.02450	10.0
93.03458	9.6
101.02454	0.8
108.02163	6.3
109.02989	3.7
111.00927	0.9
114.39125	1.0
117.02012	1.2
117.03487	1.1
119.05068	5.3
121.02962	3.3
125.02446	7.0
135.03009	100.0
135.04509	22.1
145.02988	5.1
146.03247	0.9
147.03566	1.1
149.06129	4.0
151.00404	4.3
152.01210	4.6
153.01956	12.8
155.10771	1.2
163.04138	1.6
169.06628	4.9
182.07350	12.9
183.08228	2.0
191.05725	1.4
195.08241	5.2
196.08936	0.8
197.09752	75.3
204.16592	0.8
207.73544	0.9
209.11905	3.1
211.07872	0.8
211.11385	5.0
213.12910	13.2
227.10872	1.3
239.10883	2.0
241.08858	1.3
243.03185	0.9
245.11942	1.1
257.11844	6.6
271.02524	2.0
283.09824	1.6
300.02914	4.2
301.03659	1.7
301.10880	52.4
317.07971	1.4
345.09943	4.1
355.21152	0.9
376.52930	0.9
419.13657	6.3
463.12613	42.9
463.19049	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82984	0.5
55.01911	0.7
57.03446	0.5
57.43713	0.5
59.01390	22.8
59.82267	0.5
61.98843	0.7
64.84174	0.4
69.07130	0.5
71.01390	9.5
71.58636	0.5
72.99316	0.8
73.02979	2.9
75.00888	5.3
75.06256	0.5
77.90744	0.5
81.03488	1.3
83.01421	1.3
83.05047	6.1
84.02212	1.2
85.02968	6.7
87.00908	2.4
88.98837	0.7
89.02448	7.1
93.03445	1.8
97.02988	2.2
99.00922	0.7
101.02448	8.9
107.05051	0.7
108.02192	4.4
109.02962	10.2
109.06651	0.7
111.08208	0.6
113.02490	5.7
116.92912	0.6
119.03539	0.9
119.05032	0.7
121.02979	2.6
125.02471	1.0
125.06166	0.7
134.03790	2.5
135.03046	8.8
135.04533	100.0
137.02457	5.1
143.03487	1.0
145.02994	0.6
151.00360	0.5
152.01176	3.4
153.01952	6.5
153.46178	0.6
155.10753	0.6
160.01634	0.8
161.04587	3.5
163.11316	4.6
165.12885	3.8
175.04002	1.1
176.04092	1.2
177.04036	1.0
179.03636	0.7
181.12445	0.9
189.17638	0.6
191.05672	6.0
191.10857	0.9
197.09740	3.7
209.11873	95.9
213.13023	0.7
227.12921	12.8
243.02748	0.7
253.09337	10.0
255.02937	0.8
271.02414	1.0
300.02859	2.7
301.10843	3.9
331.17706	2.8
425.14606	0.7
427.16553	1.0
463.11917	3.8
463.22470	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	463.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44329	0.9
52.08757	0.9
54.82619	1.0
56.79810	1.0
59.01386	100.0
61.98851	6.4
71.01408	6.4
72.99336	1.3
73.02963	2.4
75.00876	28.2
85.02967	2.4
87.49681	1.0
88.43089	1.1
89.02450	9.8
92.76858	1.0
93.03471	8.7
95.98744	1.1
97.77360	1.0
101.02473	2.5
107.01395	2.4
108.02210	2.6
108.10905	1.1
113.02462	1.7
117.01983	2.5
118.10994	1.4
119.05027	8.8
121.02957	31.1
133.49126	1.0
135.03011	86.7
135.04510	19.0
145.02943	2.2
149.06105	1.3
151.00356	8.4
163.04037	2.2
169.06622	6.5
178.99876	4.9
182.07393	15.0
183.08131	1.5
191.05667	5.4
195.08191	5.9
197.09753	83.4
209.11813	8.3
211.11331	6.9
213.12910	16.9
220.25807	1.2
226.02861	1.7
227.03560	1.9
227.10878	1.7
227.13054	1.8
228.89110	1.3
236.50266	1.4
236.86633	1.3
237.83780	1.2
241.08713	9.0
243.03076	12.1
245.11835	2.3
254.02356	2.1
255.03024	22.3
257.11862	13.5
271.02527	56.5
272.03226	1.4
285.07605	1.5
300.02823	68.1
301.03622	25.3
301.10858	58.2
326.29453	1.2
345.09955	10.1
403.19696	2.2
406.12369	1.2
419.13608	6.6
463.09003	34.3
463.13721	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	463.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	31.6
60.65434	0.4
60.99330	0.5
69.03454	0.5
71.01392	2.9
72.99312	6.3
73.02965	0.5
73.79366	0.3
75.00872	48.0
85.02964	0.6
87.00862	0.5
88.98821	2.4
89.02457	7.3
89.53211	0.4
93.03460	3.7
97.02918	0.6
101.02412	0.8
108.02219	0.6
117.01950	3.7
119.05051	2.7
121.02958	1.7
135.03009	100.0
135.83710	0.4
141.01892	0.4
149.06108	1.6
151.00415	0.8
155.10771	3.0
169.06621	1.0
172.35721	0.4
173.64728	0.4
178.99866	0.5
182.07376	4.0
191.05675	0.9
195.08250	0.9
197.09750	30.5
199.09793	0.9
209.11894	2.5
211.11366	1.7
213.12914	3.4
217.10834	0.9
227.10744	0.6
239.10992	0.5
243.02905	0.9
245.11987	1.7
255.03029	2.3
257.11819	3.7
271.02533	5.5
300.02829	5.9
301.03510	2.1
301.10883	24.7
345.09683	3.4
367.06699	0.4
374.80347	0.5
419.14755	2.1
463.08850	3.1
463.13031	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	463.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06129	0.2
57.53187	0.2
59.01386	5.0
61.98838	0.6
71.01382	1.6
72.99281	0.3
73.02938	0.5
75.00854	0.4
80.52567	0.3
81.03491	0.3
85.02969	0.6
89.02442	0.6
91.01897	1.5
93.03459	100.0
94.03804	0.3
101.02424	0.7
109.02937	0.3
119.76118	0.3
121.02951	5.9
123.00933	0.5
124.01707	0.4
125.02486	0.6
135.00900	1.1
135.03020	0.6
135.04533	2.6
137.02455	97.5
138.02797	0.5
149.99741	0.3
152.04759	0.5
153.00783	0.4
153.01959	1.6
161.04506	0.3
163.04053	0.4
165.01941	0.4
169.06679	0.6
169.41066	0.3
171.04552	0.4
175.03978	0.4
177.99011	0.7
178.99901	1.8
179.03543	0.4
184.03677	0.3
191.05641	1.1
197.00943	0.3
197.06096	5.1
204.35703	0.3
210.27493	0.3
271.02557	0.6
300.02850	1.2
301.03717	0.4
301.10730	0.5
301.20383	0.3
341.05362	0.3
403.10361	10.5
417.25342	0.4
427.16531	0.3
463.09152	2.1
463.25964	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1261
Annotation	3,5,7,4'-Tetrahydroxy-6-methylflavanone 7-glucoside
Peak:m/z	Relative Intensity
52.15146	0.3
59.01113	0.5
59.01388	13.0
60.02956	0.4
61.98825	2.4
64.11616	0.5
67.00884	0.4
71.01379	4.0
72.99311	4.4
73.02950	1.0
74.84467	0.4
75.00875	100.0
83.01392	0.5
85.02945	2.1
86.81786	0.4
89.02451	4.0
93.03473	1.9
101.02452	2.4
106.04254	2.8
107.05045	15.5
108.02167	0.7
112.17189	0.4
113.02471	2.0
114.32109	0.4
117.03471	0.6
119.03513	0.6
119.05013	2.2
121.02959	48.2
122.03288	4.1
123.03436	0.8
123.04507	1.9
125.02435	0.9
133.02951	0.6
134.03764	1.0
135.04538	40.4
137.02428	0.7
149.02567	0.5
151.04034	2.7
155.10780	2.3
163.04033	0.9
173.04523	0.5
177.04118	0.6
179.05614	0.9
191.05597	2.3
199.13435	0.5
220.39406	0.5
227.12943	1.0
274.24747	0.5
278.43323	0.5
301.03629	0.6
347.13846	0.7
381.55646	0.5
385.18677	0.5
398.07098	0.5
403.15033	0.7
403.19995	0.9
463.12662	31.5
463.18082	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0893
Annotation	5,7,3',4',5'-Pentahydroxyflavone 8-C-glucopyranoside
Peak:m/z	Relative Intensity
58.46130	0.6
59.01394	6.2
61.98838	1.0
63.30498	0.6
65.00337	1.1
65.03969	1.1
67.01897	1.0
71.01385	2.8
91.01896	100.0
109.02977	4.6
113.02458	0.8
117.03366	0.7
121.02960	19.6
123.04552	0.9
135.00890	39.6
135.04526	18.7
139.36745	0.8
153.01964	18.1
163.00444	0.9
163.04077	0.9
165.47037	0.7
178.99876	82.9
197.00916	5.8
221.00957	0.8
323.04187	1.2
393.09018	0.9
427.16147	1.0
445.07840	1.6
463.08932	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0892
Annotation	Isoaffinetin
Peak:m/z	Relative Intensity
50.34692	0.3
51.56805	0.4
54.82591	0.4
59.01391	3.1
65.00321	0.8
65.03970	2.5
71.01389	3.0
75.12866	0.4
86.84775	0.5
91.01899	100.0
97.15484	0.4
101.02461	0.5
107.01389	0.7
109.02979	6.2
110.94106	0.4
113.02486	0.7
121.02962	17.3
123.04498	0.5
135.00897	42.3
135.04532	16.5
149.02408	0.9
153.01968	19.9
163.03932	0.5
178.99889	93.4
181.20529	0.5
197.00946	9.5
221.01003	1.7
282.66479	0.5
323.04196	0.7
341.05331	1.0
370.63879	0.5
372.34595	0.5
445.07819	3.3
463.08926	59.5
464.09122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22612	0.3
55.01889	0.4
57.03461	1.0
58.00600	0.7
59.01391	100.0
61.98842	13.5
64.88196	0.4
67.91834	0.4
71.01386	32.6
71.05019	0.4
72.99321	4.3
73.02950	5.2
75.00875	19.4
83.01413	2.1
85.02964	8.4
87.00887	3.0
89.02448	40.4
93.03442	4.2
95.01395	2.6
95.05019	0.5
96.96011	0.9
97.02972	0.6
99.00875	1.9
101.02457	16.5
101.03097	1.0
107.54437	0.4
109.02971	2.4
111.00915	0.5
113.02454	12.3
115.00377	0.7
117.01952	0.8
119.03500	13.1
119.05008	3.0
121.02952	3.5
122.84988	0.4
125.02477	0.6
127.07678	0.8
129.01982	0.5
131.03537	0.9
133.02957	0.7
135.03008	52.1
135.04602	2.3
141.09251	0.9
143.03519	1.9
145.02942	0.6
149.04521	1.5
149.06108	1.1
149.09792	0.6
151.00404	0.8
153.09233	2.2
155.10757	2.0
161.02449	1.7
161.04550	4.5
163.11314	0.7
165.09230	0.8
169.06604	1.9
173.04488	0.8
176.04144	0.4
177.04073	0.8
179.04002	0.7
179.05612	11.8
182.07385	3.6
183.08102	0.7
185.09683	0.6
191.05684	3.7
193.12389	3.7
195.08171	2.4
196.08914	0.5
197.09755	18.6
199.09825	0.8
199.13515	0.5
205.12357	2.4
211.11424	0.5
213.12869	3.6
223.13293	0.7
227.10855	0.7
227.12991	0.9
241.08691	3.3
241.14433	0.9
243.02991	0.8
255.03146	1.6
257.11902	3.2
271.02527	2.7
291.37158	0.4
300.02911	3.4
301.03622	2.0
301.10834	11.2
331.17838	1.7
345.09854	3.7
379.15454	0.6
385.18903	1.0
403.19836	9.1
427.15808	0.6
463.08017	1.0
463.13025	2.2
463.22501	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	463.089
Annotation	Isoaffinetin
Peak:m/z	Relative Intensity
54.16145	1.1
55.01849	1.1
55.72855	1.1
59.01384	24.6
71.01374	7.0
72.99309	21.4
73.02940	5.6
82.18202	1.3
82.25603	1.3
85.02932	6.7
87.00925	1.2
88.98791	2.6
91.01905	32.0
92.10732	3.8
92.66130	1.4
93.03447	2.8
95.01393	3.0
95.76250	1.3
101.02429	4.4
107.01403	1.7
108.02172	1.7
109.02926	7.4
119.05004	1.4
121.02964	18.9
122.00073	5.4
122.18458	1.6
123.00860	8.0
123.04536	10.4
124.01686	14.5
125.02399	7.4
129.32083	1.2
135.00879	16.2
135.04546	23.8
137.02376	3.3
149.02417	1.6
149.99600	33.0
151.00398	22.8
152.01193	16.3
153.01953	74.9
163.03859	1.3
168.00594	2.3
177.99109	76.1
178.99892	31.8
179.03500	14.1
179.10611	1.5
182.99213	1.4
191.04214	1.5
191.05614	22.5
196.00157	12.2
197.00882	1.9
197.04590	20.8
271.02267	1.7
271.05945	2.2
297.05786	1.4
300.02554	3.0
301.03445	3.1
341.04999	5.2
384.50537	1.6
403.22964	7.1
445.07870	21.8
463.08524	100.0
463.19724	3.0
463.26263	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	462.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73537	0.2
58.84871	0.2
59.01389	3.8
60.01736	0.3
61.98843	100.0
83.63923	0.2
89.20090	0.2
126.43453	0.2
130.80070	0.2
155.86145	0.2
245.28781	0.2
280.53760	0.2
468.00552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0891
Annotation	Quercetin 3-beta-D-glucoside
Peak:m/z	Relative Intensity
56.17976	0.4
58.13525	0.4
58.22630	0.4
59.01394	1.1
65.00333	1.1
65.76192	0.4
66.82972	0.4
69.90894	0.5
81.28841	0.4
83.01407	0.6
84.47030	0.5
88.02863	0.5
107.01405	3.8
108.02177	2.6
109.02962	2.0
118.18826	0.5
121.02948	2.6
135.00923	0.8
135.03023	3.9
148.01678	3.6
151.00385	12.1
163.00351	3.1
163.99304	0.6
164.01022	0.8
178.99930	5.5
183.04601	0.7
197.09749	2.3
199.04045	2.3
201.05569	1.0
211.04024	0.8
215.03668	0.7
216.04503	0.8
226.02742	2.6
227.03583	4.8
239.03540	0.6
242.02193	0.6
243.03026	16.3
245.04454	2.2
254.02261	3.0
255.03018	34.6
255.05653	1.3
271.02521	79.0
272.03104	2.5
273.03909	0.7
283.02386	0.8
299.02036	1.1
300.02808	100.0
301.03577	41.2
301.10782	0.8
426.20352	0.6
463.08911	59.8
464.08942	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	462.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51635	0.1
59.01386	4.1
60.01712	0.3
61.98835	100.0
65.24178	0.1
71.01375	0.2
82.31052	0.1
85.02967	0.1
89.02470	0.4
100.58483	0.1
101.02438	0.2
113.02465	0.1
119.03571	0.1
121.02956	0.1
125.47049	0.1
154.12526	0.1
156.90912	0.1
261.37421	0.1
298.74286	0.1
402.25323	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	462.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.3
61.98835	100.0
66.38036	0.3
69.36749	0.2
73.62806	0.2
74.49915	0.3
75.29737	0.3
77.70657	0.3
88.45371	0.3
92.10155	0.6
93.69546	0.3
136.45366	0.3
202.41171	0.3
218.88831	0.4
232.66544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22167	2.5
63.96769	2.4
75.00868	4.8
83.20463	2.8
97.97181	2.6
103.00366	3.7
106.13060	2.5
121.02922	3.1
123.04517	24.8
135.04539	10.8
136.05312	27.8
140.91595	2.7
151.07637	17.6
152.20148	2.6
162.87695	2.6
175.07564	4.0
261.97763	3.1
353.43448	3.1
358.72699	3.0
365.37738	2.9
419.35370	42.8
443.35156	4.5
461.36526	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	462.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17248	0.2
58.61663	0.3
59.01389	8.6
59.47539	0.2
61.98838	100.0
71.01378	3.2
73.02953	0.4
75.00870	1.3
75.75883	0.3
83.01383	0.4
85.02948	2.4
85.57215	0.3
87.00872	0.4
89.02470	1.5
90.24110	0.3
92.10769	0.4
93.03468	0.7
95.01421	0.4
99.00897	0.4
101.02437	1.8
106.27061	0.3
107.01435	0.4
107.98788	0.3
108.07718	0.3
109.02996	0.5
110.25208	0.3
113.02448	1.5
117.16479	0.3
119.03474	0.4
121.02964	18.1
122.03290	5.4
123.00848	0.4
135.02997	1.0
135.04546	5.0
135.06636	0.7
136.04836	2.1
137.02477	0.3
145.02951	0.4
151.00423	0.5
160.01677	0.5
161.04529	0.4
163.04016	0.5
173.04448	0.4
175.03993	0.4
178.99884	0.3
186.03099	0.5
187.03589	0.7
191.05640	2.4
201.01828	0.3
214.02718	0.6
215.03127	1.8
216.00598	0.3
230.19881	0.4
241.01474	5.9
242.01865	11.4
243.02705	3.4
244.03354	0.7
245.00934	2.5
246.01315	3.3
255.02979	0.7
270.01804	4.4
271.02261	12.0
272.02890	8.0
298.01199	1.7
299.01819	5.7
300.02420	8.1
301.03595	0.6
401.14087	0.5
402.14917	1.4
462.07639	12.0
463.08508	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28433	0.2
55.25959	0.2
59.01388	100.0
61.98841	4.6
65.83180	0.2
71.01386	3.1
73.02946	0.7
83.01397	0.5
85.02964	1.7
89.02455	0.5
92.10196	0.3
98.29727	0.3
99.00907	0.3
101.02451	2.7
113.02467	1.5
119.03448	0.4
121.02959	0.4
159.03128	0.3
161.04568	2.6
173.04607	0.3
180.04298	0.3
195.02991	0.5
241.01378	0.4
357.35449	0.3
401.25485	8.4
425.97885	0.3
461.07278	0.3
461.27716	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29719	0.3
51.78873	0.3
60.99306	1.4
65.16177	0.3
65.39291	0.3
68.53937	0.3
109.06614	0.5
150.70464	0.4
159.00517	0.4
176.68373	0.4
193.08652	0.5
235.37946	0.5
343.29980	2.1
344.39911	0.4
345.31747	1.8
357.31445	0.4
399.36276	3.8
443.35367	4.5
461.36469	100.0
462.36874	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	461.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20280	0.2
51.75979	0.2
54.20454	0.2
55.01886	0.4
56.32889	0.2
57.03448	0.5
58.00596	0.4
59.01387	100.0
59.82369	0.3
61.98836	60.0
70.32055	0.3
71.01386	9.1
72.98936	0.4
72.99310	6.1
73.02946	4.6
83.01381	1.1
85.02956	4.0
87.00860	0.4
89.02447	8.5
93.57916	0.3
95.01395	0.6
99.00887	0.4
101.02444	7.0
106.06608	0.5
113.02457	4.7
119.03526	4.2
121.02972	2.0
135.04498	0.5
136.07651	0.4
143.03412	0.6
147.81226	0.2
151.90506	0.3
161.04594	2.4
179.05585	3.1
241.01398	0.5
269.10248	0.4
270.01404	0.3
271.02209	0.3
271.93768	0.3
287.98868	0.3
299.13889	0.5
357.22754	0.6
401.14395	0.4
401.25507	15.8
461.06735	0.4
461.29233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11237	0.4
58.61761	0.3
59.01387	100.0
61.98833	2.3
63.05859	0.4
71.01380	5.5
73.02944	0.8
83.01353	0.6
84.33498	0.4
85.02969	1.9
89.02442	6.6
101.02427	5.0
113.02467	2.7
119.03478	3.3
121.02946	1.0
161.04568	2.5
179.05630	1.7
195.06668	0.5
229.95584	0.4
312.09222	0.4
401.25522	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	461.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30140	1.1
56.81652	1.1
57.03448	1.3
59.01387	100.0
61.98842	2.5
71.01386	31.3
72.99298	1.9
73.02968	1.5
75.00882	12.7
79.05553	2.1
82.03003	6.8
83.05029	26.6
85.02943	10.2
87.00873	4.9
87.90248	1.3
89.02448	43.9
93.03447	13.3
96.96025	20.3
101.02451	12.8
107.05011	9.3
109.02954	1.5
113.02446	13.3
113.17722	1.6
119.03512	16.1
119.05002	6.1
121.02952	16.9
122.02470	2.6
128.07153	1.9
131.03532	1.4
135.02992	20.0
135.04514	15.4
137.02458	9.9
137.06084	12.1
143.05013	2.5
145.09872	5.4
150.68530	1.2
151.04016	2.6
161.04573	5.2
161.05945	1.5
163.04089	1.8
165.01959	7.0
171.07777	6.3
179.03540	4.6
179.05652	20.1
191.05615	6.2
203.10771	9.7
207.44135	1.2
210.12512	4.5
221.11867	11.8
227.07214	1.6
237.09224	12.9
239.09235	6.6
254.11533	2.3
255.10262	7.6
284.69687	1.5
343.08154	2.4
373.89371	1.5
396.86450	1.4
404.57590	1.3
434.15869	9.7
461.12073	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	461.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30130	0.4
57.03461	0.9
57.28933	0.4
59.01109	0.8
59.01390	13.9
60.99313	17.7
61.98832	2.4
64.08951	0.5
69.03480	0.6
71.01379	4.6
72.99308	2.6
73.02962	1.9
75.00868	2.0
82.03868	0.5
85.02959	2.2
86.55636	0.5
87.00869	0.5
88.98808	100.0
89.02449	2.9
93.03459	3.5
101.02436	2.5
103.70321	0.5
107.05016	0.7
108.02189	0.6
109.02957	2.2
110.03378	0.6
113.02445	1.1
117.03489	1.0
119.03534	0.7
119.05026	2.4
121.02941	7.1
122.03242	0.6
123.04520	6.4
135.02971	1.7
135.04509	2.9
137.02431	2.1
145.02992	6.8
150.48972	0.5
151.04060	1.0
153.01900	0.7
153.05632	4.4
160.01662	2.8
161.04565	0.9
163.04004	1.0
173.04565	1.1
175.03966	2.2
177.04013	0.8
179.03549	0.6
191.05605	3.1
207.10197	1.0
225.11314	0.7
239.16545	0.6
241.01404	1.0
242.02298	0.6
255.02995	3.0
269.10440	0.7
270.01675	0.8
283.02493	2.5
298.04892	0.6
299.01993	0.8
307.08163	3.0
435.52100	0.6
461.10312	1.8
461.20190	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30140	1.1
56.81652	1.1
57.03448	1.3
59.01387	100.0
61.98842	2.5
71.01386	31.3
72.99298	1.9
73.02968	1.5
75.00882	12.7
79.05553	2.1
82.03003	6.8
83.05029	26.6
85.02943	10.2
87.00873	4.9
87.90248	1.3
89.02448	43.9
93.03447	13.3
96.96025	20.3
101.02451	12.8
107.05011	9.3
109.02954	1.5
113.02446	13.3
113.17722	1.6
119.03512	16.1
119.05002	6.1
121.02952	16.9
122.02470	2.6
128.07153	1.9
131.03532	1.4
135.02992	20.0
135.04514	15.4
137.02458	9.9
137.06084	12.1
143.05013	2.5
145.09872	5.4
150.68530	1.2
151.04016	2.6
161.04573	5.2
161.05945	1.5
163.04089	1.8
165.01959	7.0
171.07777	6.3
179.03540	4.6
179.05652	20.1
191.05615	6.2
203.10771	9.7
207.44135	1.2
210.12512	4.5
221.11867	11.8
227.07214	1.6
237.09224	12.9
239.09235	6.6
254.11533	2.3
255.10262	7.6
284.69687	1.5
343.08154	2.4
373.89371	1.5
396.86450	1.4
404.57590	1.3
434.15869	9.7
461.12073	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	461.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
59.01387	41.4
61.98841	7.6
69.03429	0.8
69.85525	0.8
71.01390	13.2
72.99311	1.2
73.02965	1.2
74.01119	0.9
75.30720	0.8
84.95108	7.4
85.02972	2.0
85.76943	1.0
88.98800	1.7
89.02438	1.9
93.03442	3.4
96.95992	1.7
101.02454	4.5
107.05027	1.3
108.02164	1.3
113.02456	2.2
117.03428	1.1
119.05039	1.4
120.17860	1.1
121.02959	85.0
123.00888	1.3
123.04563	1.4
124.01685	1.7
125.02461	5.4
134.03732	4.4
135.04532	74.6
136.05246	1.5
137.02406	1.3
147.04430	1.0
149.99573	4.6
150.06912	2.1
151.03998	6.1
151.07692	6.4
161.02469	3.4
161.04610	1.2
162.03241	100.0
163.04025	8.9
165.05492	1.1
168.00639	6.2
173.04524	2.1
177.05586	92.1
191.05621	4.3
195.06606	1.8
215.79836	0.9
241.01428	1.1
461.10681	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	461.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18978	1.0
55.01897	9.0
57.03462	5.4
59.01386	58.3
61.48910	1.2
62.17342	1.3
71.01385	73.5
73.02940	28.2
81.20431	1.3
83.01399	17.0
85.02954	40.9
87.00861	2.3
87.96751	1.3
89.02448	10.2
92.10808	3.1
95.01411	2.7
97.02982	1.4
99.00873	13.6
101.02440	64.6
101.03094	2.2
113.02461	33.3
121.02982	2.9
121.64344	1.4
125.02489	1.5
143.03549	2.1
159.03044	7.8
159.54855	1.4
161.04567	37.6
200.11716	1.6
211.96059	1.5
217.96248	1.7
269.10352	100.0
297.22137	1.4
361.02301	1.5
401.14594	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82759	0.9
55.01888	1.4
57.03466	6.8
59.01387	19.8
59.28743	0.8
61.25686	0.8
71.01388	11.5
77.40878	0.9
83.18315	1.1
85.02956	26.9
87.00883	34.9
89.02455	4.4
92.10164	1.7
93.03437	6.9
97.02972	1.7
101.02449	2.2
102.28897	0.8
108.03439	0.9
121.02959	97.5
123.04517	1.3
129.01950	16.1
129.37425	1.0
135.04533	100.0
137.02457	6.0
151.04164	1.1
155.80859	1.0
159.02986	5.5
163.04018	9.3
177.04030	10.8
221.11807	1.2
223.06128	1.9
262.60352	1.0
461.13116	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11952	0.5
55.01902	0.7
59.01387	89.0
60.01712	1.2
61.98837	16.2
67.01876	0.8
68.58930	0.6
71.01394	3.7
73.02966	0.6
85.02951	1.4
88.69364	0.6
89.02455	2.7
93.03449	11.4
94.03799	1.1
99.00895	0.8
101.02452	2.8
108.02162	0.7
111.04575	0.6
113.02438	0.8
121.02950	6.0
122.03306	1.6
123.03502	1.0
133.03008	0.9
135.04526	100.0
137.02469	1.6
143.33554	0.6
171.10234	1.2
173.04575	6.9
174.04906	4.1
175.05051	9.8
176.05389	4.3
177.05533	0.6
191.05585	1.1
191.89844	0.7
211.13362	0.8
230.32681	0.6
258.96671	0.7
269.10507	0.9
284.03226	6.7
295.39389	0.7
296.08490	0.9
297.08777	1.0
298.05386	0.8
298.09064	3.4
299.05655	9.2
299.09045	1.6
303.04965	0.8
309.20782	0.8
327.21927	5.8
401.14178	2.0
461.11307	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.1
60.01718	0.2
61.98837	100.0
64.74384	0.1
69.15315	0.1
71.01408	0.2
89.02450	0.3
92.10701	0.2
101.02456	0.2
119.03493	0.2
121.02956	0.5
143.59616	0.1
143.65788	0.1
401.25815	0.3
415.02365	0.2
462.24756	0.2
473.94415	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12346	0.1
50.67848	0.1
50.87421	0.1
54.02933	0.1
56.59825	0.1
59.01388	5.5
61.13702	0.1
61.98837	100.0
62.19115	0.1
71.01403	0.1
83.82975	0.1
101.02431	0.2
121.02950	0.2
137.02501	0.1
152.99597	0.1
233.54225	0.1
302.09158	0.1
408.20874	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	461.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24043	0.3
51.05550	0.2
53.98790	0.2
59.01112	0.6
59.01388	12.2
60.01717	0.5
61.73478	0.3
61.98524	0.4
61.98833	5.7
63.02427	0.2
65.00326	0.4
71.01390	1.6
73.02981	0.3
85.02952	1.6
89.02460	0.3
91.01863	0.2
93.03448	1.5
101.02437	0.5
108.02197	2.4
108.03890	0.5
108.04569	8.1
109.04897	2.3
110.00105	1.2
117.03442	0.5
121.02934	1.8
123.00915	0.4
129.23578	0.4
131.82188	0.3
135.04494	0.3
137.02353	0.3
150.05641	3.5
151.00385	1.4
151.05925	1.4
152.01187	1.1
155.05106	0.3
159.04504	0.3
161.04552	0.4
161.99605	0.5
165.01953	0.7
168.00630	0.5
171.10321	0.3
173.04573	0.7
183.04547	3.1
185.02411	0.4
187.04105	0.4
191.05710	1.2
211.04039	4.2
211.13484	2.1
212.04808	0.4
212.13878	0.4
226.02809	0.4
227.03531	20.1
227.12825	0.4
227.16530	1.2
228.04295	2.3
239.03616	0.4
239.07257	0.5
243.06708	0.6
255.03023	68.9
256.03763	4.6
271.06158	1.1
283.02521	100.0
284.03290	23.6
298.04868	51.1
299.05652	67.7
300.05859	0.5
309.20667	0.3
327.21884	2.7
338.16620	0.4
461.11038	39.0
462.11072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.11
Annotation	Parkinsonin A
Peak:m/z	Relative Intensity
51.24936	0.5
52.08979	0.5
57.21958	0.6
59.01392	3.8
63.49664	0.6
71.01397	3.5
71.27491	0.6
72.99331	3.1
75.00874	0.8
80.54028	0.6
81.03458	1.0
85.02973	3.2
88.98813	2.7
93.03471	2.5
101.02433	0.9
108.02180	82.7
109.02961	35.2
117.03465	29.0
117.04276	1.3
119.05016	9.7
121.02975	3.1
121.39715	0.6
123.00883	1.0
123.04588	0.8
129.54721	0.6
145.02966	93.0
147.04495	0.8
152.01164	100.0
153.01950	24.8
161.02448	1.5
163.04005	7.0
163.17935	0.7
180.04433	0.6
213.05638	1.4
241.01208	0.7
307.08176	0.9
315.07260	27.9
316.07840	0.6
417.12366	0.8
461.10999	87.7
462.11362	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	39.3
61.01817	1.3
61.98842	45.7
67.01907	1.2
69.03482	5.5
71.01392	10.1
73.02975	1.5
75.00893	1.4
81.03480	1.8
83.01411	4.5
85.02966	4.5
89.02465	4.6
93.02952	1.0
93.03429	7.4
95.01395	1.7
97.02977	7.1
99.00883	1.9
101.02431	7.6
106.61210	1.0
107.01357	1.6
108.02193	5.5
109.03008	3.9
113.02473	4.5
119.05000	1.1
121.02963	8.8
123.00880	13.2
124.01669	35.0
125.02448	80.6
129.83124	0.9
135.04547	5.8
137.02464	6.8
147.04535	7.0
148.53444	1.1
149.99600	64.2
151.00372	4.5
152.01198	3.6
155.10712	1.5
161.04567	4.0
168.00655	89.6
169.01447	7.1
173.04578	5.4
191.05655	4.9
229.14468	1.7
241.01524	4.0
245.01112	1.4
255.03145	1.1
264.64096	1.0
269.10379	1.7
270.01743	1.5
271.02560	4.0
285.04047	1.0
299.01822	1.3
313.05725	1.1
320.03491	1.0
398.15469	1.2
401.14850	2.1
423.22510	2.1
443.09662	1.6
461.11032	100.0
461.20236	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	459.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28393	1.3
55.30236	1.6
56.92138	1.4
59.01395	100.0
59.19495	1.5
60.01717	1.4
61.98818	1.7
68.25558	1.9
77.65054	1.6
83.73705	2.0
93.68557	1.7
102.95551	1.8
116.89453	2.1
116.92893	3.2
124.55862	1.7
125.30672	1.8
140.26337	1.7
145.72980	1.6
178.82736	1.7
246.86359	2.1
303.72189	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15450	0.4
58.06349	0.4
59.01394	20.3
61.98841	4.0
65.04002	0.5
70.47179	0.4
71.01385	6.0
72.99342	2.1
73.02965	1.8
75.00901	1.0
81.03485	0.9
83.01437	0.7
85.02984	3.0
88.98810	1.6
89.02454	3.3
91.53127	0.4
92.54202	0.5
93.03436	0.9
95.01387	0.7
95.05018	0.6
99.00915	0.5
99.04562	0.4
101.02460	2.5
107.05008	0.9
108.02187	13.7
109.02966	100.0
109.06595	1.8
113.02478	2.1
113.42461	0.4
117.03461	6.1
119.03532	0.7
119.05028	10.3
121.02958	12.0
123.00887	2.7
123.04531	10.5
127.07576	0.5
132.02173	3.0
133.05092	3.7
134.03745	3.0
135.04524	2.1
145.01851	0.9
145.02974	18.0
151.04019	5.9
152.01173	17.8
153.01953	78.2
160.01688	14.3
161.02373	0.6
163.04024	5.5
163.11220	0.9
166.02664	0.5
173.04509	0.6
175.04031	13.6
177.16338	0.4
179.03474	0.6
191.05666	0.9
193.05061	1.0
195.02950	2.4
207.10304	4.9
225.11316	2.8
241.01254	0.9
270.01675	1.6
271.02338	0.7
281.17697	3.2
295.08191	1.8
297.06238	0.6
307.08267	0.6
315.07278	28.7
337.09476	4.0
344.55377	0.5
346.18015	0.5
348.15707	0.5
373.28641	0.4
391.52023	0.5
396.04913	0.5
401.21805	0.7
417.11951	2.5
461.10852	46.0
461.24789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2912
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
50.50989	0.7
53.38224	0.8
61.20911	0.7
62.15967	0.7
72.73075	0.7
78.51990	0.9
80.37897	0.8
82.15028	0.8
92.10680	1.2
107.05031	28.8
116.92827	1.8
151.10443	0.9
155.19769	0.7
163.11301	100.0
252.65746	0.8
274.28674	0.9
283.17078	26.0
286.50497	0.8
295.17014	12.3
302.75995	0.8
348.18738	0.8
459.29153	54.5
459.35544	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.98864	5.3
64.34457	4.3
67.51089	4.2
71.01387	84.5
85.02945	8.9
89.02453	67.8
94.64596	5.2
101.02488	10.1
113.02505	8.0
119.03468	6.2
179.05690	7.5
224.76801	4.9
279.23343	46.6
333.11771	4.5
354.73523	4.8
477.18738	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	459.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10259	0.3
57.03449	0.3
59.01388	100.0
60.01738	0.3
61.98845	1.5
71.01379	4.3
72.03087	0.3
73.02943	0.7
75.00871	0.3
82.89000	0.3
83.01428	0.5
85.02946	2.7
89.02456	2.5
93.03450	1.5
94.14198	0.4
99.00905	0.4
101.02444	3.6
113.02453	1.6
119.03513	0.3
121.02979	3.1
134.02724	0.4
134.03740	9.0
135.03004	0.3
135.04518	0.5
137.02415	0.4
149.06100	2.5
161.04596	2.7
175.97269	0.3
178.02710	0.6
185.14671	0.3
191.05580	0.4
193.05099	3.2
202.04639	0.4
238.06383	0.4
253.08730	0.4
255.03180	0.4
274.58990	0.3
399.23956	6.1
420.41916	0.4
459.12970	0.5
459.26334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84173	0.3
51.21632	0.4
55.28315	0.4
57.03464	0.7
59.01392	100.0
60.01740	0.5
61.98845	1.8
71.01398	7.1
73.02960	2.4
75.00898	0.7
82.95423	0.6
83.01384	0.9
85.02963	3.8
87.00902	0.5
88.98826	0.5
89.02467	1.7
93.03462	4.1
94.03807	0.7
95.01411	0.5
99.00890	1.9
101.02439	4.7
109.02972	0.5
111.04539	1.0
113.02464	3.4
119.05048	0.8
119.31628	0.4
121.02962	68.1
122.03302	30.2
122.04233	0.6
123.03447	9.6
123.31645	0.5
133.02989	0.6
135.02965	0.7
135.04524	2.1
136.04820	0.5
136.68323	0.4
137.02419	1.6
145.02983	0.7
147.04488	0.7
149.06085	0.6
152.14346	0.4
155.03526	2.2
161.02470	2.1
161.04553	4.0
162.02820	0.9
163.02876	0.4
173.04570	4.5
174.04904	2.4
175.05035	2.4
191.05637	2.3
193.01422	2.5
223.01350	0.5
224.70094	0.4
237.09105	0.6
238.09625	0.4
244.23956	0.5
251.07155	0.5
253.08763	0.5
295.08362	4.1
296.08621	6.4
297.08859	11.4
323.05954	0.6
336.08063	0.7
337.08118	0.5
367.55420	0.5
399.24002	9.3
421.24731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.261
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
55.01882	0.3
57.03458	1.0
59.01386	100.0
60.01710	0.5
60.60805	0.2
61.98832	4.1
71.01380	6.1
73.02946	1.9
80.94899	0.2
83.01386	0.3
85.02952	2.4
89.02447	2.8
92.36246	0.2
93.03462	0.4
95.01379	0.2
99.00899	0.4
101.02428	4.6
113.02460	2.8
119.03486	1.0
121.02993	0.8
137.02513	0.2
143.03474	0.4
157.24873	0.2
159.03023	0.4
161.04587	2.1
173.04518	1.2
179.05653	0.3
179.14323	0.2
183.17841	0.2
191.05536	0.3
195.10258	0.3
204.22211	0.3
235.45572	0.2
237.15175	0.2
399.23950	13.0
434.43311	0.3
459.25925	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63670	0.3
55.01907	0.6
57.03447	0.5
59.01387	100.0
60.99310	2.9
61.98837	2.8
71.01383	6.6
73.02956	2.2
75.00896	2.2
82.95424	0.9
83.01383	0.8
85.02969	4.1
88.98816	10.7
89.02470	3.4
93.03483	3.1
96.96006	1.1
99.00844	0.7
99.25124	0.5
101.02470	4.2
101.03021	0.4
108.02198	0.6
109.02946	0.9
113.02447	2.5
119.03513	1.8
119.05039	1.1
121.02956	27.7
122.02522	3.8
127.94316	0.5
130.94402	0.5
132.76141	0.5
135.03023	1.9
135.04520	2.7
137.02443	1.1
137.13300	0.4
143.05049	0.7
145.02945	2.1
147.04564	0.8
149.06084	1.9
159.02934	0.5
161.04536	2.2
163.03993	2.5
173.04544	2.0
191.05621	3.1
211.07529	0.5
251.07204	1.1
253.08975	0.9
264.13895	0.6
265.48615	0.5
323.05658	0.7
339.30414	0.5
399.16144	0.7
399.24033	6.0
459.26196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83310	0.3
59.01388	100.0
61.98842	0.7
71.01388	0.7
73.02962	0.4
75.00883	1.3
78.79208	0.4
78.87868	0.3
85.02952	0.4
92.10777	0.5
101.02412	0.6
113.02463	0.5
121.02952	2.9
132.05815	0.4
133.06590	23.2
161.04610	0.6
221.06570	0.4
299.46210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99995	0.3
55.01880	0.6
57.03451	0.4
59.01390	100.0
59.30664	0.3
60.01748	0.3
61.98837	0.7
68.23733	0.2
71.01385	6.4
73.02956	1.7
74.82870	0.3
78.31385	0.3
80.07230	0.3
83.01399	1.1
85.02975	2.0
89.02431	2.5
93.03473	0.5
95.01439	0.5
97.01517	0.3
99.00893	0.4
101.02462	4.6
113.02459	2.4
119.03501	0.5
121.02963	3.5
131.06007	0.3
132.02190	6.4
134.03758	3.0
135.04532	3.7
137.02458	0.3
143.03574	0.4
152.99532	0.3
157.30118	0.3
160.01680	24.4
161.04610	3.4
162.54332	0.3
175.04031	23.4
176.04523	0.4
183.51442	0.3
193.05072	4.2
202.02672	0.4
217.05009	0.4
399.23959	8.6
482.29343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.1
66.27560	0.3
66.46117	0.3
69.03458	0.5
71.01384	3.9
72.50446	0.3
73.02946	2.4
78.72128	0.3
85.02948	7.6
87.00876	1.7
89.02453	1.4
92.10841	0.5
92.74758	0.3
93.03459	0.6
97.02950	0.6
101.02432	0.4
102.53198	0.4
109.02967	3.1
113.02464	1.7
113.76703	0.3
115.04002	2.0
118.18397	0.4
119.03516	0.6
121.02956	100.0
122.03285	0.4
129.04633	0.5
131.03499	1.3
135.04527	29.8
143.05017	2.3
146.10927	0.3
147.04553	1.4
161.04581	0.6
163.04027	5.2
165.05534	0.3
191.05606	0.3
223.06203	1.8
234.58524	0.3
235.07848	0.5
251.07156	0.8
253.08701	5.0
294.47684	0.4
297.07660	1.7
323.05688	0.6
325.09274	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.5
59.01394	10.4
62.56440	0.3
67.31508	0.3
69.03472	3.1
70.57326	0.3
71.01398	6.0
75.00877	0.7
79.34998	0.3
85.02959	28.6
88.98827	0.8
89.02458	2.2
93.03452	1.6
97.02969	1.5
101.02451	1.4
109.02958	3.6
113.02425	2.8
115.04009	3.7
119.03489	0.5
121.02959	100.0
129.03465	0.5
130.04211	0.5
131.05038	2.3
135.04533	49.0
143.05038	3.0
145.02962	0.7
146.03752	2.4
147.04539	5.4
159.04561	0.7
159.19122	0.4
161.04631	0.7
163.04024	6.8
181.65614	0.5
191.05600	0.5
193.05074	0.7
201.48381	0.4
223.06017	1.9
235.07677	0.7
237.05313	0.5
251.07088	3.5
253.08717	9.2
279.06747	0.8
297.07645	2.2
323.05612	1.9
339.10913	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30368	0.2
57.03458	0.3
58.03748	0.2
59.01389	100.0
61.98838	0.4
65.22533	0.2
71.01398	2.6
72.99324	0.3
73.02940	1.1
75.00872	0.3
82.03867	0.2
83.01403	0.3
85.02962	1.1
89.02448	0.5
93.03474	1.7
96.96037	2.5
99.00875	0.4
99.04530	0.2
101.02452	1.9
103.00366	0.3
111.04534	0.3
113.02455	1.2
115.08796	0.3
119.05063	0.5
121.02962	32.2
122.03298	12.6
123.03448	4.8
123.04413	0.4
135.04492	0.4
137.02515	0.3
141.06714	0.6
145.02928	0.6
155.03557	0.4
161.02457	0.6
161.04510	1.3
173.04568	1.1
174.04898	0.3
177.04066	0.3
191.05641	1.0
207.13916	4.2
225.14941	1.8
235.14516	0.6
237.57281	0.3
241.93280	0.2
251.12888	0.4
251.71828	0.3
267.16055	1.9
295.08319	1.9
296.08636	3.1
297.08835	4.6
307.08823	0.3
311.15057	0.5
329.16074	0.3
336.08347	0.4
337.09265	0.3
399.23917	3.7
459.26212	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68546	0.4
59.01387	6.7
68.28931	0.5
69.80605	0.5
71.01379	7.5
72.99325	1.0
73.02946	52.4
80.63068	0.5
80.99265	0.5
85.02930	1.4
87.00885	1.2
89.02451	5.0
99.00870	6.8
99.92578	4.0
101.02462	3.0
113.02450	2.2
115.00374	6.9
116.92867	56.7
117.01942	100.0
117.05637	1.1
119.03511	2.3
123.99355	0.6
133.01410	10.8
142.99902	1.0
161.04523	0.8
179.05602	1.3
191.05630	1.3
267.07230	1.4
279.10925	2.7
341.10855	4.9
379.47589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	0.5
57.31845	0.5
59.01394	13.0
71.01384	8.6
72.99328	1.0
73.02968	2.1
74.94008	0.5
83.01421	0.7
85.02975	3.5
87.00900	0.9
89.02442	7.3
93.03457	0.9
96.16724	0.5
101.02461	5.3
111.07652	0.5
113.02473	1.2
117.03480	2.4
119.03522	2.1
119.05012	0.7
121.02953	2.6
121.05103	3.6
132.02179	17.1
133.02946	2.8
134.03748	37.1
135.03029	0.7
135.04556	0.7
135.08275	0.6
137.02483	0.7
142.79649	0.5
148.05467	0.5
149.06091	4.2
160.01675	100.0
161.02267	1.1
170.74628	0.6
175.04024	80.1
179.03453	0.6
191.05591	2.6
191.07181	1.1
193.03308	1.0
193.05080	30.7
196.59404	0.5
235.06174	3.8
253.08920	0.7
256.11975	0.5
295.08218	1.0
308.52335	0.6
387.20236	2.1
459.15155	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75669	0.8
55.01878	1.3
57.03455	1.6
59.01387	82.2
60.99318	15.2
61.84532	1.0
61.98833	2.0
67.01900	5.0
69.03462	1.3
71.01385	15.3
72.99321	1.9
73.02953	10.2
75.00864	10.9
81.02158	0.9
83.01413	1.8
83.05037	2.2
85.02947	11.1
87.00878	17.7
88.08825	0.8
88.98806	87.6
89.02465	7.6
93.03452	37.6
93.04007	1.6
96.96021	1.2
98.10317	1.0
98.12456	0.9
101.02449	7.3
109.02325	1.1
109.02945	8.0
111.00890	1.3
111.04516	7.5
113.02462	4.9
117.03465	15.3
119.03551	1.3
119.05024	34.5
121.02956	100.0
126.90337	1.0
129.01981	1.4
133.02928	1.4
134.03792	1.3
134.88432	1.0
135.03015	40.0
135.04526	14.0
137.02477	2.4
143.05014	1.7
145.01859	2.3
145.02968	48.6
147.04559	4.4
149.00752	1.3
155.03537	4.1
161.02473	5.4
161.06046	1.0
163.04010	36.9
173.04547	19.7
179.03488	4.3
179.10832	1.2
191.05624	28.3
192.99655	1.2
197.06102	2.0
202.08273	0.9
213.05615	13.1
223.07687	18.9
225.05598	1.3
227.03561	1.6
239.07150	3.7
241.08698	12.0
249.74269	1.0
251.07141	2.4
253.08667	4.2
265.08633	1.0
285.04556	2.2
285.07718	63.8
296.65527	1.3
297.05981	8.5
323.05701	2.2
415.14096	11.9
459.13086	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77781	0.6
52.84231	0.6
54.95523	0.7
57.03455	3.3
59.01390	66.9
60.99312	11.0
61.98854	4.1
63.00846	0.7
65.43846	0.7
67.01901	5.9
68.23364	0.7
69.03468	1.4
71.01382	14.9
72.99356	0.8
73.02941	7.2
75.00879	8.8
79.00603	0.8
81.03487	1.4
83.01399	1.3
83.05048	1.0
84.95122	1.0
85.02956	10.4
87.00877	16.3
87.01363	0.9
88.98811	53.9
89.02439	6.3
92.10840	1.7
93.03461	39.2
94.21306	0.7
99.00905	0.8
101.02460	6.7
105.01936	0.8
107.05043	1.1
108.02200	1.2
109.02978	7.0
111.04515	7.2
113.02477	3.1
117.03477	8.4
119.03626	1.0
119.05045	22.9
121.02967	100.0
121.52171	0.8
127.04054	1.1
133.02965	1.5
133.08693	1.1
135.03015	30.3
135.04517	12.6
137.02446	3.1
143.05087	0.9
145.02975	36.7
146.03773	1.1
147.04517	4.4
149.00687	3.8
155.03522	3.2
161.02487	3.3
161.04564	1.3
163.04037	33.6
166.85870	0.8
166.87259	1.0
169.06642	1.0
173.04596	16.8
179.03455	1.5
187.07773	1.0
191.05644	28.7
191.30681	0.8
192.99648	1.6
195.08081	1.2
197.06026	1.5
205.06651	1.0
209.06577	0.8
213.05650	12.0
223.07661	17.7
225.05597	4.1
226.06360	0.8
239.07245	3.7
241.08763	11.3
251.07239	1.5
253.08751	4.7
279.06735	1.0
285.07739	63.4
286.08041	1.4
297.06213	5.9
302.63657	0.9
313.09387	0.8
323.05695	3.7
341.10254	1.0
399.16623	0.9
415.14001	10.9
432.31128	0.9
459.13101	69.7
460.13284	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
58.22381	0.6
59.01382	15.4
60.99313	0.7
67.01911	1.4
71.01402	3.8
72.99329	0.7
73.02946	1.0
75.00906	0.7
85.02985	1.3
88.98832	3.6
89.02460	0.9
89.59299	0.7
93.03468	33.9
96.96027	0.8
97.88097	0.6
101.02460	0.8
107.05065	3.5
108.02197	4.6
109.03002	3.0
110.33029	0.6
111.04559	2.2
113.02464	0.9
117.03484	10.6
119.05026	6.8
121.02966	100.0
122.02030	0.7
135.03017	2.1
135.04555	0.9
137.02464	29.1
137.03525	1.3
145.02971	36.6
147.04558	1.1
152.01132	1.1
153.01880	0.8
153.73535	0.7
155.03535	7.3
163.03996	4.6
164.01160	1.5
173.04570	31.2
181.05203	1.2
191.05638	1.1
211.07669	1.3
241.09239	0.8
251.07108	1.2
253.08806	0.6
255.03200	0.8
285.03915	0.7
295.08267	9.7
303.57184	0.8
307.08316	4.0
319.08295	6.1
337.09409	1.4
368.10837	0.7
415.13962	5.3
421.10291	1.0
421.20447	0.8
442.93420	0.7
459.13318	7.9
459.22546	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	459.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47052	0.2
55.72411	0.2
57.03447	0.2
59.01394	39.1
61.98841	0.6
71.01395	3.3
73.02954	1.1
75.08066	0.3
79.14008	0.3
83.01411	0.3
85.02934	0.6
89.02458	2.1
93.03481	1.5
95.32330	0.3
99.00919	0.4
101.02431	2.0
106.04246	0.7
111.00877	0.5
113.02463	1.2
119.03563	0.5
121.02958	4.0
131.03481	0.3
133.02971	3.3
134.03754	100.0
135.04118	0.4
137.02463	15.6
139.04048	5.1
147.04575	0.4
149.02464	0.5
149.06099	22.6
150.03261	1.6
150.60847	0.3
159.04555	0.4
161.04613	0.4
178.02739	57.6
192.53259	0.3
193.05089	97.8
194.05396	0.4
237.15009	1.0
241.55383	0.3
268.67416	0.3
321.99896	0.3
399.23993	2.4
459.12872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	3.9
59.01398	12.4
60.99308	1.4
68.51278	0.9
71.01386	15.4
72.99312	7.9
73.02955	1.6
75.00882	17.8
78.95943	1.0
85.02964	14.3
86.87494	1.0
87.00913	1.5
88.98823	12.6
89.02457	10.0
93.03490	1.6
96.96016	7.6
99.00922	1.3
101.02464	3.6
108.02247	1.0
109.02987	1.8
113.02457	7.5
115.00412	1.1
116.92871	3.8
117.01925	1.4
117.03490	1.2
119.05051	1.9
121.02968	82.7
128.73579	0.9
131.03516	1.9
133.02979	4.7
134.03725	4.8
135.03021	30.4
135.04543	100.0
147.04575	1.6
148.00639	0.9
152.01181	1.1
153.01976	2.0
160.01706	1.2
161.02457	32.8
163.04053	5.9
165.05598	2.2
175.02534	1.2
179.03523	52.2
179.78316	0.8
191.03539	2.2
191.05597	1.7
249.57858	1.0
253.08749	1.0
281.49112	1.0
297.06125	2.1
323.07800	19.5
341.08759	11.2
369.08371	17.1
399.09717	1.2
399.75531	1.0
459.11276	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	459.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96557	0.9
51.10316	0.9
52.84333	0.8
59.01380	8.2
59.41415	0.9
62.62038	0.9
65.00338	1.1
66.83051	1.0
68.66129	1.0
70.49659	1.0
71.01367	1.2
72.99304	1.2
73.13708	1.1
73.89836	0.8
75.00870	11.0
82.95821	0.9
88.98814	3.6
89.02442	1.4
91.01902	5.6
93.03455	11.5
108.02193	1.3
109.02956	35.7
115.08459	1.1
119.05025	4.2
121.02952	16.1
122.03680	1.2
123.04565	1.2
129.03455	6.2
130.04250	5.7
131.05032	12.5
132.98949	1.1
135.02997	23.4
143.05038	32.4
143.06088	2.0
145.02946	10.5
146.03751	22.8
147.04533	59.5
158.03664	1.6
159.04506	5.9
181.06345	1.1
207.08124	2.2
209.06055	1.4
211.07637	1.5
223.07599	2.6
226.12944	1.1
229.01544	1.5
233.06213	3.5
235.07668	20.1
236.88567	1.1
237.05641	8.0
250.06236	1.8
251.07158	48.3
251.09769	1.6
252.07620	4.7
253.08739	100.0
261.05624	3.8
262.06281	1.1
278.05905	4.4
279.06641	19.5
295.63458	1.1
297.07794	19.3
304.04736	1.1
323.05667	54.5
327.06631	1.2
341.06720	8.2
459.09476	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	459.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01387	15.0
62.84648	0.6
69.03476	4.1
71.01376	7.0
73.02975	1.0
75.00866	11.2
85.02962	19.7
89.02462	3.5
91.01916	3.8
93.03458	8.9
93.97923	0.7
95.59826	0.7
97.02962	2.9
101.02432	3.0
109.02956	15.2
110.26459	0.9
113.02470	3.3
114.60236	0.8
119.05043	5.1
121.02960	100.0
123.04488	0.9
129.03479	7.8
130.04242	3.8
131.05034	10.5
135.03008	19.2
135.04530	44.9
143.05038	13.2
145.02982	10.1
146.03755	28.7
147.04543	84.9
159.04515	3.9
161.04509	1.0
163.04045	5.5
195.08026	1.0
207.08025	0.9
212.45822	0.8
222.06787	0.9
223.07683	5.3
229.01384	1.7
233.05956	6.3
234.06960	1.5
235.07642	7.4
237.05626	7.9
249.05537	1.4
250.06380	7.3
251.07176	59.7
252.07930	0.9
253.08723	54.9
253.11372	1.8
261.05627	5.2
262.06317	2.9
269.08163	1.1
277.05182	1.0
278.05869	5.7
279.06644	26.7
295.06073	1.1
297.07767	18.8
323.05679	89.3
324.05991	1.4
325.09412	1.3
341.06540	4.2
459.09323	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	459.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21438	0.4
59.01386	2.7
59.06105	0.4
71.01369	0.8
72.99314	1.2
75.00882	19.9
76.73238	0.5
88.98827	0.7
89.02445	3.8
91.01900	0.8
93.03459	8.2
109.02974	5.9
116.69724	0.5
117.01960	1.8
117.03490	1.0
119.05029	5.1
120.46292	0.5
121.02967	6.8
122.03741	1.0
123.04513	0.9
129.03476	9.2
130.04242	4.9
131.05034	9.3
135.03018	37.0
140.11986	0.4
143.05048	5.6
145.02975	13.6
146.03766	29.5
147.04547	69.6
157.02977	0.9
158.03659	1.0
159.04518	3.3
173.02448	0.6
195.08173	2.2
205.06578	1.0
206.07455	0.6
209.06137	2.8
213.02048	0.9
222.06940	2.8
223.07680	4.4
229.01509	4.8
232.05263	1.1
233.06129	7.3
234.06866	2.3
235.07664	2.5
237.05589	10.7
249.05653	2.6
250.06425	6.3
251.07173	78.2
252.07721	3.1
253.08743	36.6
261.05579	5.8
262.06290	1.2
269.08252	2.3
277.05103	2.0
278.05835	6.2
279.06680	30.7
295.06476	0.8
297.07715	9.0
304.49658	0.6
323.05676	100.0
324.06003	2.1
341.06827	3.6
341.39307	0.5
346.38019	0.6
415.10507	0.7
445.77631	0.5
459.09457	5.2
459.29282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.98850	9.0
62.93609	1.3
71.01385	2.6
80.51546	1.3
85.02981	1.4
92.11613	1.6
93.03474	3.4
99.21317	1.3
101.02460	2.0
110.02536	1.6
113.02470	2.0
121.02960	49.8
135.04520	2.4
142.20645	1.4
142.88272	1.4
173.04572	9.4
174.04889	2.8
191.05655	1.3
195.57759	1.3
231.79631	1.5
241.48383	1.5
246.57394	1.8
292.08392	1.7
296.53864	1.6
343.84430	1.8
443.42825	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29121	0.3
59.01394	51.3
60.01717	0.3
60.09284	0.4
61.98851	4.2
71.01402	1.9
71.02008	0.4
89.02456	0.7
93.03452	6.2
94.03795	0.6
101.02416	0.6
113.02422	0.4
114.40323	0.4
121.02957	100.0
134.92448	0.3
137.02423	6.6
138.02831	2.7
153.78786	0.3
173.04564	4.4
174.04832	1.8
191.05618	1.3
202.42024	0.4
270.02118	0.3
276.49130	0.4
296.92957	0.4
398.22794	0.5
448.17068	0.4
461.86151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3331
Annotation	Fruticoside B
Peak:m/z	Relative Intensity
59.01393	2.4
61.98840	1.2
71.01364	1.3
71.15364	1.0
82.52985	1.1
83.98285	1.0
85.02972	1.0
119.02097	1.3
153.54265	1.2
173.04636	2.1
178.16722	1.1
224.04076	1.3
308.49072	1.1
331.76947	1.4
351.71356	1.2
413.34451	11.0
423.82468	1.3
457.33328	100.0
458.34003	2.0
478.17743	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.333
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
54.82246	0.6
55.10142	0.5
56.44276	0.6
57.03450	1.1
57.75842	0.6
59.01393	3.6
61.98858	0.7
63.46487	0.7
66.00719	0.7
69.03477	0.8
75.37053	0.6
84.62508	0.8
92.10059	2.7
121.02960	0.9
173.04631	3.2
226.56247	0.8
343.45377	0.9
413.34299	4.3
457.33444	100.0
458.34122	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3333
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
51.60647	0.8
59.01396	6.1
59.22065	1.1
61.98837	1.3
64.81441	0.8
67.05937	0.8
67.68132	1.0
80.83798	1.0
85.76521	1.0
90.19581	1.1
93.03446	1.0
103.76275	1.1
121.02965	1.1
121.53930	0.9
173.04541	4.0
208.50700	1.3
217.00365	1.9
258.33054	1.1
295.08289	1.5
413.29526	1.1
457.33411	100.0
458.33414	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3331
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
58.00604	1.4
59.01157	0.8
59.01384	8.4
60.54309	0.8
61.98846	1.9
71.01393	1.0
76.77432	0.9
80.22314	0.9
80.86884	1.0
92.10089	1.0
93.03497	1.2
97.06606	1.8
97.98295	1.0
101.87729	1.0
111.08229	0.9
121.03008	1.5
134.92657	1.3
157.51721	1.3
173.04613	4.6
189.12878	6.2
191.14461	5.1
217.00449	1.5
346.25443	1.2
387.30750	10.0
393.32053	5.1
406.29117	2.0
407.33511	6.6
413.34439	4.8
423.32809	29.2
423.37796	1.6
425.34564	9.9
439.32437	7.6
457.33493	100.0
467.31702	14.7
469.33450	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	458.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98025	0.9
53.94357	0.7
55.01890	1.3
57.03442	1.0
59.01387	11.5
61.98837	2.1
71.01379	12.6
72.01733	1.2
72.99336	1.0
73.02954	4.6
81.03456	2.0
83.01406	1.6
84.04547	1.7
85.02945	9.5
88.04034	26.1
89.02467	1.9
93.03451	1.3
95.01388	4.0
96.96011	6.6
100.09649	1.1
101.02464	10.7
108.02184	78.1
109.02959	54.9
112.04047	9.6
113.02464	4.9
116.92859	4.1
117.92800	1.2
119.05024	1.4
121.73753	1.1
128.49348	1.1
129.05589	1.4
130.05099	17.0
131.07159	1.1
135.04588	1.5
137.02457	1.0
152.01163	100.0
153.01949	32.7
161.04482	2.3
163.04030	4.2
165.01881	1.6
191.05582	1.6
209.11722	1.1
235.11809	1.3
236.12231	1.4
297.06091	6.8
315.07281	27.2
369.93304	1.1
397.17035	5.0
398.17587	11.1
405.05981	1.2
428.12018	22.2
449.33749	1.1
458.13113	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26027	1.5
54.57535	1.5
59.01386	100.0
170.08295	1.9
173.04527	10.0
188.15707	1.8
279.14029	2.1
279.23434	7.4
297.24380	59.0
339.25449	37.2
340.43802	1.9
457.33417	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58181	2.7
54.83236	2.7
59.01390	24.6
61.98842	4.8
62.31425	2.4
62.67014	3.0
84.27347	3.0
94.28851	2.8
119.12856	2.8
121.02966	17.9
173.04564	14.4
217.00328	6.5
224.64818	3.2
235.82396	3.0
397.27762	12.6
413.30429	4.3
439.28647	4.3
457.34293	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	457.3331
Annotation	Platanic acid
Peak:m/z	Relative Intensity
52.25313	0.6
54.83009	0.5
59.01383	1.2
60.00928	0.8
66.53347	0.6
67.28680	0.6
89.15884	0.7
110.94709	0.6
143.93262	0.9
145.79935	0.7
173.04546	0.7
186.11626	0.7
201.32191	0.6
218.46475	0.6
413.34314	12.6
439.32190	2.6
457.33347	100.0
458.33588	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
75.41280	0.4
81.50364	0.3
99.00902	1.4
99.92602	5.1
100.93364	8.1
115.92080	100.0
116.92116	0.8
116.92869	5.0
130.33762	0.3
132.92395	0.6
164.06470	0.4
172.95459	6.5
178.06543	0.3
232.46379	0.4
283.26730	0.7
379.30075	1.3
383.18991	0.7
395.33218	1.5
409.20679	0.7
409.92056	0.4
413.34387	0.5
457.22809	10.2
457.33267	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	457.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.6
57.03460	1.3
59.01387	100.0
61.98838	0.6
67.01916	0.4
71.01381	8.1
72.99323	0.3
73.02945	2.6
77.27220	0.3
83.01391	1.6
85.02956	4.1
89.02449	5.3
93.03467	4.4
95.01392	0.5
99.00893	0.6
99.04513	0.4
101.02437	7.8
111.04535	0.4
113.02450	4.8
119.03493	2.2
119.05039	0.4
121.02957	3.8
137.02458	2.4
143.03465	0.4
145.04730	0.3
152.99519	0.3
155.03625	0.4
161.02472	0.4
161.04568	3.3
173.04555	11.1
179.03575	0.3
179.05576	1.2
191.05627	0.7
295.08267	2.5
330.84494	0.3
379.21420	0.5
397.22345	5.7
441.21848	0.4
457.15161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62168	1.3
55.01891	7.7
56.92190	1.4
57.03465	4.0
58.00619	2.7
59.01109	3.1
59.01390	66.2
61.98840	2.3
67.01955	2.1
69.03446	2.1
71.01389	60.6
72.99314	2.4
73.02950	21.0
77.96997	1.5
78.95927	2.5
83.01407	12.0
83.04993	1.6
85.02958	34.8
87.00900	3.2
89.02441	16.4
92.10824	3.2
93.03471	10.4
95.01411	2.4
96.96017	35.4
96.96954	2.8
99.00896	7.7
101.02451	53.2
107.57137	1.8
109.02953	6.1
113.02451	27.5
116.92831	3.5
117.05583	3.8
119.03611	2.0
119.05031	57.8
119.36014	1.7
125.02457	2.1
133.06606	15.8
133.65955	1.7
135.04549	3.5
137.02487	3.0
143.03493	2.6
145.06573	9.7
147.04520	2.1
149.06090	8.0
152.01149	3.1
159.02995	1.9
161.04567	19.6
161.06064	10.3
163.04024	25.0
163.07695	12.7
167.00238	2.2
171.04485	1.7
173.06068	10.4
190.72624	1.5
191.07191	27.2
192.98242	7.4
205.03317	2.0
205.05032	14.5
209.01299	3.2
233.08316	3.1
234.99298	9.8
235.06186	8.7
235.11917	21.2
251.09258	3.5
279.10712	2.4
295.08389	12.3
397.04819	2.6
397.17233	100.0
457.13696	12.9
458.13058	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	457.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08662	0.6
50.38745	0.7
51.16338	0.6
52.99679	0.7
54.82978	0.6
55.01893	9.3
56.04617	0.8
57.03458	5.7
58.00625	0.8
59.01392	63.2
62.95066	0.7
66.23180	0.6
69.07247	0.7
71.01389	45.2
72.99326	1.5
73.02949	20.4
75.00871	0.9
77.24850	0.7
83.01387	12.3
85.02954	28.8
87.00893	3.9
89.02446	15.7
92.10843	2.0
93.03468	1.3
95.01419	5.7
96.96007	18.2
97.02956	1.1
99.00873	6.0
99.92574	1.3
101.02444	65.1
103.00381	6.7
103.79359	0.7
108.68053	0.8
109.02975	1.0
113.02452	25.4
116.92873	19.2
117.92899	1.0
119.03525	4.6
119.05026	10.6
121.02997	7.1
131.07152	1.2
133.06592	3.2
135.04547	1.3
143.03522	3.0
145.02983	4.5
145.37633	0.8
149.05998	1.6
149.19260	1.0
159.02994	4.2
161.04582	20.8
161.05951	2.2
163.04033	1.2
176.88922	0.9
177.05550	3.3
179.05638	2.0
190.25044	0.8
191.05652	12.3
205.05095	14.4
215.07179	0.8
233.08572	0.9
235.11908	31.7
259.06250	1.8
295.08322	1.1
335.09964	1.5
397.17209	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	457.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72916	1.1
54.82654	1.3
59.01386	18.4
61.98831	2.1
62.16286	1.2
64.56363	1.3
69.66907	1.2
71.01404	6.9
72.00919	2.0
72.99321	2.1
73.02982	1.5
75.72678	1.2
78.95904	14.6
83.78036	1.3
84.84827	1.3
85.02957	3.2
87.00882	2.4
89.02437	2.0
93.03467	1.9
96.96013	100.0
96.96938	21.7
97.28042	1.4
101.02433	2.3
103.00381	2.6
113.02477	2.3
115.00397	5.4
116.92847	3.0
133.01425	5.9
135.04510	2.9
137.02425	2.5
147.04506	6.8
148.04857	1.9
164.07129	11.3
165.07468	6.3
179.03456	2.5
181.07137	2.3
181.16042	1.4
191.05618	18.3
234.99255	2.5
310.19495	1.4
324.17624	1.6
457.18878	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	457.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35305	0.9
55.01895	1.9
57.03465	1.3
58.00602	2.0
59.01387	93.6
60.47680	0.9
69.03462	8.6
71.01386	70.4
72.99298	3.3
73.02952	10.7
73.03282	0.8
75.00892	4.1
81.03465	4.3
83.01418	6.2
85.02930	8.7
87.00909	5.0
89.02447	85.0
92.10780	1.7
93.03518	0.9
95.01407	1.6
97.02950	15.8
99.00882	13.8
99.04517	1.8
101.02441	10.1
109.02973	7.1
111.00893	1.5
113.02487	6.3
115.00375	2.1
115.03999	11.2
119.03511	1.1
121.02210	1.1
121.02935	7.2
125.02456	37.9
127.04045	1.1
131.03510	8.1
131.92975	0.9
133.01480	4.2
143.03529	3.9
148.05322	100.0
149.04564	7.8
153.01978	6.7
161.04530	1.4
163.07643	21.5
173.04495	1.2
179.03633	1.8
179.10799	4.7
191.05637	9.3
223.09935	2.0
233.06694	29.3
248.94287	1.2
251.07355	1.4
293.08887	23.8
341.12350	4.7
404.09509	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.2
56.44991	0.7
57.03430	1.1
58.00615	1.2
59.01386	100.0
59.07716	0.8
61.52195	0.7
61.98843	2.3
65.30435	0.8
66.83329	0.8
69.03465	6.1
71.01384	51.0
71.01784	1.7
72.99298	2.0
73.02945	16.3
74.26184	0.8
75.00893	5.0
76.02501	0.8
76.58371	0.9
81.03474	2.2
83.01401	5.2
83.05045	0.8
85.02928	6.9
87.00879	1.2
88.98833	1.7
89.02447	56.7
89.25141	0.8
93.03459	4.2
95.01387	1.3
96.96038	1.1
97.02956	7.7
99.00887	9.3
101.02428	13.4
108.02190	18.4
109.02967	13.1
110.35635	1.1
111.00876	1.9
113.02461	5.0
115.00404	4.3
115.04001	6.0
116.24647	1.0
119.03480	1.4
119.04984	1.0
121.02962	36.8
125.02450	29.3
127.04022	2.0
131.03510	6.5
133.01436	1.0
135.04503	1.2
135.11905	1.0
143.03526	1.5
145.02983	3.6
147.04503	6.4
148.05324	78.3
149.04553	7.3
152.01198	6.8
153.01952	12.1
161.04529	1.5
163.04056	1.1
163.07660	28.1
169.84769	1.0
173.04539	3.7
179.03415	0.9
179.10797	13.3
191.05635	6.4
204.87138	1.0
207.48419	1.0
211.07594	1.0
218.59317	0.9
223.09811	6.2
233.06711	20.0
251.07164	1.8
293.08826	14.5
341.12476	11.4
403.42752	0.9
419.09848	11.5
421.10757	1.2
457.16995	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44352	0.3
54.03201	0.3
55.01876	0.5
57.03438	0.6
59.01386	21.0
61.98832	0.5
71.01384	13.4
72.99318	0.8
73.02944	30.7
75.00861	0.6
83.01401	1.3
85.02959	3.2
87.00867	2.5
89.02440	1.8
92.10063	0.7
93.03455	3.3
96.96014	0.6
99.00883	2.1
101.02432	2.2
103.04008	7.4
108.02174	0.5
109.02970	0.5
111.04527	0.5
111.08500	0.3
113.02470	0.7
115.01727	0.3
119.05031	0.7
121.02956	100.0
122.02492	0.8
122.03315	0.5
131.03505	31.5
135.04529	35.7
137.02475	0.6
160.01625	0.6
163.04031	3.9
168.48158	0.5
173.04564	3.3
179.10689	0.5
189.05579	0.5
191.05687	3.9
211.07655	0.4
251.07198	2.3
396.73441	0.4
397.11493	24.2
457.17429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44352	0.3
54.03201	0.3
55.01876	0.5
57.03438	0.6
59.01386	21.0
61.98832	0.5
71.01384	13.4
72.99318	0.8
73.02944	30.7
75.00861	0.6
83.01401	1.3
85.02959	3.2
87.00867	2.5
89.02440	1.8
92.10063	0.7
93.03455	3.3
96.96014	0.6
99.00883	2.1
101.02432	2.2
103.04008	7.4
108.02174	0.5
109.02970	0.5
111.04527	0.5
111.08500	0.3
113.02470	0.7
115.01727	0.3
119.05031	0.7
121.02956	100.0
122.02492	0.8
122.03315	0.5
131.03505	31.5
135.04529	35.7
137.02475	0.6
160.01625	0.6
163.04031	3.9
168.48158	0.5
173.04564	3.3
179.10689	0.5
189.05579	0.5
191.05687	3.9
211.07655	0.4
251.07198	2.3
396.73441	0.4
397.11493	24.2
457.17429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45704	0.7
55.27366	0.6
57.03456	1.0
58.02112	0.7
59.01387	16.3
60.99311	3.3
67.01898	11.0
69.03458	1.5
71.01388	13.6
73.02951	3.4
75.00860	1.3
78.82800	0.8
81.03455	1.5
83.01395	1.6
83.05030	0.9
85.02963	7.7
87.00872	8.4
88.98830	0.8
89.02445	3.3
93.03458	69.2
101.02433	3.3
108.02201	3.1
109.02959	3.9
111.00880	3.1
111.04514	9.5
113.02444	3.0
119.05021	1.6
121.02959	34.5
127.04063	1.2
129.01971	1.0
131.03520	1.0
133.02956	19.7
135.04530	40.5
137.02397	3.9
145.02980	0.9
147.04448	0.9
152.01132	3.1
153.01926	1.2
155.03519	1.5
161.02457	71.0
163.04031	3.2
173.04575	23.1
179.03473	7.3
191.05663	17.3
221.04495	1.1
251.05396	0.9
281.06662	3.7
285.46844	0.8
341.12372	3.5
383.09943	32.4
457.13614	100.0
458.13809	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18213	0.2
51.22652	0.2
52.64095	0.2
55.01884	0.3
57.03468	0.4
59.01390	18.1
61.98837	0.4
69.03473	0.4
71.01388	12.7
72.99328	1.0
73.02951	27.6
75.00896	0.6
83.01408	0.6
84.25654	0.2
85.02967	3.0
87.00890	2.4
87.04476	0.2
89.02446	1.7
93.03465	2.7
96.95994	0.3
99.00873	0.4
101.02443	2.0
103.04018	7.7
103.04639	0.4
106.96364	0.2
108.02207	0.5
109.02977	0.3
111.04567	0.4
113.02483	0.9
115.00402	0.4
119.05056	0.5
121.02964	100.0
122.02551	0.6
122.03310	1.2
125.02466	0.4
131.03514	31.7
135.04539	32.5
137.02484	0.3
143.03465	0.3
160.01714	0.3
163.04045	3.9
173.04610	4.1
175.04001	0.5
191.05652	3.8
193.05035	0.3
203.43008	0.3
226.92889	0.3
251.07198	3.1
265.07257	1.2
275.07681	0.5
397.11490	25.0
421.54840	0.3
457.16998	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90302	0.3
57.03461	0.6
59.01397	2.0
67.01902	2.6
71.01405	2.5
75.50429	0.3
77.34050	0.3
81.03461	0.5
83.05019	0.6
93.03463	22.4
109.02951	0.5
111.04537	5.3
121.02959	24.3
128.22578	0.3
133.02998	0.5
135.04607	0.4
137.02464	5.2
155.03543	3.7
161.02454	0.8
173.04561	100.0
295.08264	27.7
350.22897	0.3
367.39365	0.4
418.42419	0.4
463.85818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17362	0.3
57.29839	0.3
57.31564	0.3
59.01397	3.3
67.01901	3.5
71.01395	2.4
81.03485	0.5
83.05028	0.4
85.52757	0.4
92.10136	1.6
93.03460	21.8
109.02972	0.6
111.00888	0.8
111.04552	4.7
121.02957	22.8
135.04492	0.6
137.02467	4.8
138.36858	0.4
155.03505	3.9
161.02448	0.4
162.02728	0.4
173.04567	100.0
174.04886	0.5
295.08286	32.1
377.95956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12565	0.2
54.83564	0.3
59.01385	2.6
63.78787	0.2
71.01408	0.5
73.02956	0.4
79.36481	0.2
83.05028	0.5
87.60723	0.2
92.10712	0.4
93.03469	3.2
109.02996	0.3
111.04543	1.9
121.02959	100.0
122.03304	0.3
133.02959	1.3
135.04533	2.0
137.02444	1.3
147.04582	0.3
150.31860	0.3
155.03526	2.5
155.59615	0.2
161.02446	3.8
163.84323	0.2
173.04572	8.5
179.03497	0.4
184.65007	0.3
192.17812	0.2
234.82085	0.2
241.25288	0.3
243.06642	1.4
295.08279	21.6
335.07800	3.2
421.21768	0.3
459.51160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92020	0.1
59.01128	0.2
59.01381	1.3
60.31415	0.1
64.35557	0.1
67.01914	0.1
71.01392	0.5
75.77700	0.1
80.49149	0.1
81.03460	0.2
83.05049	0.6
85.02961	0.2
92.10107	0.2
93.03457	2.5
109.02984	0.1
111.04522	1.7
121.02959	100.0
122.03266	0.8
122.04167	0.1
123.04534	2.2
127.03998	0.1
129.01994	0.2
133.02954	0.9
135.04518	1.6
137.02472	1.1
153.05582	2.5
154.05951	0.1
155.03519	2.0
161.02464	2.5
173.04567	4.3
179.03511	0.6
295.08276	16.3
296.08521	0.1
335.07910	1.3
380.16391	0.1
419.13693	0.1
477.38727	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	455.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98071	0.3
52.78951	0.2
87.05543	0.3
100.07026	0.3
111.38145	0.3
118.52428	0.3
312.27115	0.4
343.56314	0.3
455.35382	100.0
456.35480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3538
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
61.02704	0.2
62.91529	0.2
63.36413	0.2
64.34734	0.3
76.57697	0.2
91.60873	0.3
138.16942	0.3
170.04994	0.3
266.55463	0.3
353.72766	0.3
407.33038	0.3
455.35410	100.0
456.35760	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45591	0.2
54.82760	0.3
58.43574	0.3
59.01405	0.5
81.38496	0.4
86.33961	0.3
127.79383	0.4
178.90685	0.3
227.20212	31.3
287.64529	0.4
364.33490	0.3
455.35403	100.0
456.35791	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	456.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	11.9
57.03467	8.0
58.00601	2.1
59.01390	100.0
59.26637	1.0
69.03469	1.5
71.01391	96.4
72.99320	2.7
73.02956	17.2
75.65924	1.2
78.95895	2.2
80.53734	1.2
83.01405	16.4
85.02966	62.6
85.03461	2.4
85.92982	1.3
87.00900	5.5
89.02456	52.0
89.03014	2.1
89.82921	1.2
93.03452	2.0
95.01425	6.3
96.96024	5.0
97.02983	8.9
99.00896	18.5
101.02452	54.4
102.14985	1.3
109.02969	1.6
113.02460	66.6
115.00390	1.4
119.02721	2.3
119.03502	22.0
119.05058	1.6
121.02959	21.3
122.02515	1.5
122.03319	6.5
125.02474	3.1
131.03671	9.9
135.04553	5.2
136.16924	1.2
137.02524	2.1
143.03525	10.8
159.03004	2.6
161.04573	62.9
173.04532	2.0
179.05632	9.8
188.05710	10.6
190.66154	1.3
193.78452	1.4
221.06723	5.2
226.99300	1.3
231.06635	2.5
238.04449	1.6
323.09921	57.6
390.85345	1.5
407.06226	1.3
456.15262	24.7
457.13800	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	455.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15903	2.5
59.29621	2.3
63.96248	5.4
79.95746	3.3
81.03455	5.5
91.05552	5.2
93.03477	3.5
95.01402	11.0
95.05017	10.2
107.05051	15.4
119.05049	13.5
121.06590	5.5
123.04475	4.4
125.02525	2.9
133.06638	16.6
135.04536	76.7
137.06107	30.1
147.04535	6.8
150.03395	3.0
156.37183	3.4
179.01811	6.4
180.02577	5.2
182.05864	6.8
212.01527	14.3
234.47899	3.1
238.15115	3.4
245.93164	3.0
293.15668	3.5
294.16605	12.7
326.15652	100.0
444.36890	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
62.65563	2.0
63.98196	2.1
72.23547	2.1
96.83788	2.5
111.47518	2.2
120.35562	2.6
128.95769	2.3
255.23277	16.6
303.58633	2.4
307.60651	2.8
432.24945	2.8
454.34271	27.4
455.35034	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	455.3177
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
57.17509	0.4
59.01389	2.1
62.78107	0.4
65.25963	0.4
86.14757	0.5
101.98434	0.6
102.56994	0.5
104.30779	0.5
108.40382	0.5
126.28886	0.5
377.06439	0.7
409.31360	0.7
417.88287	0.5
455.31790	100.0
456.32056	0.9
461.87103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.8
71.01379	1.9
81.03474	1.2
82.65284	0.2
85.02933	0.4
91.88428	0.2
93.03477	1.3
96.96003	3.8
101.64571	0.3
107.04970	0.3
108.02186	100.0
109.02970	17.0
109.06559	0.4
112.15700	0.3
115.00373	1.4
116.77084	0.3
120.40678	0.3
121.02969	6.6
123.00847	0.3
123.04535	1.3
133.02948	1.3
134.03802	0.4
135.00908	0.3
135.04500	1.8
135.11868	0.4
137.10443	0.3
141.34395	0.2
150.69327	0.3
151.03992	1.7
152.01172	58.8
153.01967	14.5
153.03276	0.4
163.04025	1.5
165.01949	0.3
175.03967	0.4
179.10780	2.4
185.05986	0.3
191.05530	0.4
211.07605	0.4
223.09802	2.1
284.03369	0.3
285.04211	0.4
339.10895	0.3
419.09943	65.7
420.10312	1.6
455.16083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1696
Annotation	Kushenol G
Peak:m/z	Relative Intensity
55.01894	0.9
57.02504	0.5
57.03471	0.9
59.01390	5.7
59.17417	0.5
71.01382	7.6
73.02956	4.8
78.95908	28.0
80.02693	3.1
81.03476	2.7
82.95441	3.8
83.01399	2.4
83.05033	8.0
84.02171	4.4
85.02980	5.0
87.00890	1.0
87.54308	0.6
89.02448	1.3
92.10820	1.5
93.03439	1.2
95.05006	1.5
96.96994	1.0
97.21785	0.6
99.00864	0.8
101.02457	7.5
108.02196	1.1
109.02977	1.2
109.06612	0.8
111.00932	0.9
113.02476	2.5
121.02962	9.3
133.02960	2.7
135.04555	3.1
135.08157	1.3
137.02441	1.1
139.12503	0.6
152.01224	1.4
152.99603	40.4
161.04602	2.5
161.18303	0.7
163.11290	9.4
165.04091	2.3
165.12839	3.9
171.00699	4.9
181.12378	0.9
191.05612	1.3
191.10835	1.1
202.10941	0.7
209.11867	100.0
227.03349	4.2
227.12973	7.6
231.10440	0.8
245.04439	2.9
260.14255	0.6
263.15054	6.7
363.12228	1.2
395.19244	21.0
408.21152	0.9
455.17020	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3381
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
50.28586	0.2
53.73614	0.2
56.07840	0.2
57.11859	0.2
61.45932	0.2
74.18346	0.2
114.36044	0.2
123.87740	0.2
195.97287	0.2
232.71869	0.2
237.97685	0.2
294.57980	0.2
337.25586	0.3
453.33838	100.0
454.34442	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	454.293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.0
61.98835	100.0
73.53394	0.4
74.45829	0.4
75.81413	0.4
79.68765	0.4
92.10808	0.4
121.02952	1.8
134.45630	0.4
354.99973	0.4
402.33441	0.5
453.13458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	4.1
61.98839	100.0
85.36453	0.9
93.03455	1.2
111.26157	1.0
112.74141	0.9
185.40112	1.0
268.07297	1.1
342.50894	1.1
375.85898	1.0
391.09991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	100.0
61.98850	99.9
62.51706	16.4
92.10185	57.7
117.93264	19.6
119.87299	16.6
121.02939	21.5
153.90239	15.9
173.04507	23.6
191.05672	18.6
276.38370	16.5
453.22601	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.338
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
59.01413	0.9
61.18136	0.8
92.09953	1.4
119.10999	0.9
135.04195	0.8
139.79776	0.9
152.41769	0.8
178.45609	0.9
286.86380	0.9
355.36145	0.9
377.43890	0.9
393.19821	1.3
453.33844	100.0
454.33829	1.2
460.11578	1.0
464.85413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.7
64.58006	0.6
65.01044	0.5
71.84396	0.5
96.89487	0.6
97.06579	0.5
116.92865	0.7
148.00232	0.7
173.11832	0.7
409.32986	1.2
453.33826	100.0
454.34262	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3379
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
51.56972	0.5
52.59915	0.5
54.22947	0.4
59.01389	5.0
63.51214	0.5
76.57867	0.7
82.02306	0.5
97.06542	0.8
103.62946	0.6
133.36569	0.6
146.01570	0.7
155.10754	0.6
164.60512	0.6
173.11842	4.2
197.25778	0.7
279.23331	9.0
297.24417	3.2
407.32797	0.7
453.20316	6.1
453.33813	100.0
454.34070	1.3
458.60596	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74442	0.5
53.43776	0.5
55.23113	0.5
57.03469	0.6
57.51590	0.6
59.01389	5.3
61.98849	0.8
70.71997	0.6
71.01383	2.3
75.00896	0.7
79.95742	2.1
81.95372	0.8
85.02966	1.2
88.98842	1.1
89.02468	2.5
92.10061	0.7
96.96014	87.8
97.95948	1.2
97.96517	0.7
98.95616	73.5
98.96449	11.8
99.92593	29.3
100.93362	7.2
101.02464	1.1
111.63853	0.5
115.92081	53.3
116.92869	9.1
125.30116	0.6
133.02989	0.7
134.03769	9.5
135.04538	13.7
139.83000	0.6
161.02568	1.9
163.67438	0.6
168.95984	0.6
178.02718	0.8
179.03529	8.2
181.23607	0.6
191.05608	14.9
191.07317	0.6
192.06017	5.0
193.06136	6.7
207.94849	0.8
210.97070	0.9
215.95174	2.6
216.95995	3.7
217.96796	21.8
218.97586	62.4
221.96255	4.3
231.94693	1.2
234.97108	0.7
238.96617	0.6
244.95555	3.2
261.95862	1.3
262.96561	100.0
263.96622	1.0
277.74268	0.7
278.96371	0.6
294.95535	0.7
307.08328	1.3
354.08786	0.6
355.09442	1.2
373.00208	7.6
391.01355	41.4
435.00241	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.2
59.40985	0.4
61.47164	0.5
61.98837	100.0
88.49728	0.6
121.02961	1.0
130.50890	0.6
135.04535	0.5
167.61971	0.5
171.21837	0.5
187.11440	0.5
211.02135	0.5
313.29916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03452	1.5
59.01385	100.0
60.01722	0.4
61.98841	2.0
67.01908	0.4
69.03463	0.5
69.76250	0.4
71.01382	13.4
73.02958	3.0
75.00885	0.7
81.03467	0.5
83.01394	2.0
83.05045	0.5
85.02951	15.1
85.17846	0.3
85.98117	0.3
86.03296	2.5
87.00877	2.9
89.02439	11.1
93.03456	5.2
94.03780	1.5
95.01372	0.5
96.96005	0.5
99.00888	0.8
99.04514	0.6
101.02445	9.1
108.02178	1.7
109.02959	2.1
111.04521	1.6
113.02445	6.0
119.03495	4.1
119.05005	2.1
121.02938	4.7
125.02482	0.5
127.04004	1.8
129.01830	0.6
132.13579	0.4
135.03011	0.4
135.04521	1.6
137.02464	1.6
143.03558	0.5
151.00378	0.6
152.01099	0.5
159.02942	0.4
161.04559	5.0
163.04155	0.5
166.54498	0.4
172.05316	0.8
173.04539	2.1
173.05824	0.4
174.04764	0.5
177.01910	0.8
179.05672	0.6
180.17537	0.4
181.16234	0.5
185.00636	0.4
187.07663	7.2
188.07994	5.1
189.01920	0.4
189.08267	3.4
191.05632	57.8
192.05975	33.9
193.06084	38.2
199.04112	0.6
200.04626	0.4
201.04546	0.4
202.05299	0.4
215.07211	1.3
216.07458	0.6
217.07741	0.5
227.03540	0.7
228.04047	2.2
229.04575	0.5
229.14479	0.5
229.18028	1.5
245.52951	0.4
257.08340	3.7
258.08438	3.3
259.08829	5.1
315.09955	0.4
333.16870	0.4
341.06674	0.7
374.87573	0.4
391.23456	44.5
451.15790	6.2
451.21255	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98835	0.9
65.36232	0.5
65.58981	0.6
71.15555	0.6
71.45422	0.6
81.03474	4.8
83.05042	18.8
86.30602	0.6
190.61172	0.6
194.80193	0.7
264.98251	0.8
307.23758	0.8
356.89502	0.8
391.29736	48.6
423.22449	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35140	5.3
56.06446	4.8
83.05041	62.3
92.10756	7.8
99.04528	5.3
102.46400	5.5
104.64233	6.2
111.08197	8.2
121.06617	52.1
125.02428	10.0
126.03162	8.4
127.04021	43.9
139.07671	100.0
223.41515	6.3
265.26215	5.7
318.95306	6.0
341.30682	33.9
345.35040	6.5
372.58069	6.6
407.35284	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.279
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
58.22927	0.7
61.70829	0.6
61.98837	0.6
78.95897	19.6
81.70001	0.7
92.10041	1.3
122.00114	1.1
140.01195	5.5
152.99635	0.9
196.03850	8.1
214.04720	1.3
255.23325	100.0
307.06293	0.7
452.27893	26.2
453.98102	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38546	1.4
55.56699	1.6
59.01409	7.5
60.47741	1.3
61.52191	1.3
61.98857	2.1
67.60374	1.5
93.03445	2.8
95.05040	10.9
95.65133	1.9
113.66556	1.7
121.10264	2.6
124.38982	1.9
135.59869	1.8
149.09813	2.4
152.99594	4.3
174.99323	3.8
205.12093	1.7
254.22255	1.9
269.07141	11.5
270.00906	1.9
279.05676	2.1
316.22656	1.8
320.18332	1.8
354.09814	3.2
391.18121	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	451.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90454	4.5
59.01391	57.9
61.98852	47.1
71.01403	6.7
72.48633	4.4
85.02976	6.9
87.00896	9.1
87.53588	5.1
93.03456	50.1
94.03809	10.5
98.74329	5.4
101.02435	5.0
108.02065	5.1
113.48570	5.2
117.03469	22.9
119.05041	9.5
121.02967	32.1
134.03755	8.2
135.04549	67.0
136.04863	28.3
137.02444	7.8
137.05026	12.5
145.02969	100.0
169.56122	4.9
171.44460	4.8
173.04538	29.7
179.03540	23.4
180.03903	6.5
191.05659	22.3
213.47911	6.2
309.09314	6.4
310.09351	7.7
353.08517	6.4
354.08423	7.1
413.21857	8.1
415.14221	44.4
451.20850	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	451.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28101	2.1
57.03462	5.0
59.01384	55.7
61.98829	5.0
71.01384	32.0
73.08662	3.1
77.47690	3.3
78.29636	2.6
85.02951	10.9
89.02441	62.7
92.10213	3.9
101.02438	22.4
102.70313	2.8
113.02460	14.6
119.03503	17.1
134.07329	3.2
137.09810	3.0
143.03520	3.3
149.09715	35.7
149.46855	3.0
153.09209	7.2
161.04573	15.4
167.10793	63.3
179.05595	12.5
225.14937	5.9
243.16039	12.8
405.21381	100.0
451.21991	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	5.7
57.03466	3.2
58.00598	1.0
59.01386	77.2
60.01735	0.8
61.98845	2.8
69.03472	0.7
71.01380	22.2
72.99314	1.3
73.02950	9.4
74.06197	0.6
75.00880	1.3
78.95878	0.8
83.01379	9.7
83.26768	0.6
85.02953	16.6
86.00121	2.6
87.00906	2.5
89.02450	4.8
92.10152	1.0
93.03464	0.7
95.01420	3.2
97.02960	0.7
99.00892	3.7
101.02446	27.5
111.00923	1.4
113.02451	7.9
121.03020	0.7
135.04518	0.6
156.99315	0.6
157.12358	3.6
161.04572	2.4
191.05588	2.5
192.10098	0.7
201.15179	0.6
203.12906	7.8
207.92751	0.7
347.17215	32.2
348.90283	0.6
365.18231	97.0
391.19852	3.1
407.19296	100.0
423.96555	0.7
451.17822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1256
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03467	4.4
57.78440	0.9
59.01382	20.4
59.01640	0.8
61.98841	7.8
69.03468	0.9
71.01379	7.0
75.00887	1.1
78.95941	1.6
80.75220	0.9
81.03484	4.1
83.01421	4.2
83.05039	1.1
85.02953	0.9
88.98788	1.3
89.02442	8.0
92.10146	1.3
93.03480	4.3
95.05042	4.7
96.96008	66.8
96.96993	2.7
97.02944	7.5
98.80463	1.1
99.92644	1.2
101.02451	1.5
103.82065	1.0
109.02963	28.2
113.02449	2.2
116.92873	20.2
117.03448	0.9
119.03525	1.2
121.03008	5.9
122.03725	1.2
123.04530	22.0
125.02425	19.6
125.03159	1.1
127.04059	3.5
135.04535	5.1
135.08157	1.2
137.02455	22.4
139.04034	5.8
145.02953	1.7
146.03732	1.3
149.02470	9.5
151.00433	2.0
151.04015	18.0
159.04584	1.7
160.05334	1.6
161.02434	9.7
161.06084	6.7
162.03223	2.0
163.04051	2.3
164.01204	6.7
165.01947	10.1
166.02686	5.4
167.03474	1.5
175.04008	1.2
175.07613	2.1
179.03537	10.6
181.05103	4.8
187.04015	6.3
188.04817	4.0
189.01926	1.3
191.04036	1.1
191.05653	10.5
197.41055	1.0
202.06404	2.1
203.07140	15.7
205.05125	11.5
206.05978	1.0
221.08264	4.6
225.46930	1.0
226.06383	5.7
227.07167	2.3
241.08723	6.5
245.08226	22.1
289.07233	100.0
353.08466	1.5
405.21295	1.6
407.14923	1.1
451.12589	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05506	1.7
53.36373	1.3
56.66610	1.4
59.01396	9.4
61.55526	1.5
61.98838	99.4
62.98538	2.1
71.01396	2.2
72.25070	1.5
83.43110	1.5
85.02963	2.4
89.02454	6.5
92.10145	6.3
121.02961	100.0
122.03352	1.8
129.73190	2.0
181.99648	2.1
210.43431	1.7
229.06126	1.8
271.88239	1.7
293.08881	10.7
329.06534	27.1
415.12622	1.8
451.10052	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	451.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.7
61.98841	0.6
66.54985	0.4
67.01899	0.6
74.01671	0.5
74.42532	0.4
75.37766	0.5
80.91708	0.7
83.01410	0.7
89.03953	0.5
93.03468	2.0
95.05059	1.7
103.05501	0.7
103.84472	0.4
108.02203	1.1
109.02969	33.9
117.03474	1.8
119.05002	2.4
121.02963	5.8
122.03715	0.6
123.04531	19.1
125.02436	2.5
133.02963	6.4
137.02451	0.6
139.46031	0.5
145.02960	3.2
147.04541	7.3
148.01668	0.7
150.03246	1.0
151.00331	0.5
151.04024	8.2
153.01971	1.0
159.04529	2.2
161.02481	8.2
162.03256	0.5
163.03941	0.8
173.02522	0.6
173.04553	4.1
176.01228	0.8
177.01945	32.2
177.03523	1.0
187.04021	2.3
189.01956	77.0
190.02736	15.7
191.03529	16.8
191.05354	0.9
194.01094	0.5
201.01917	0.5
203.03558	9.1
216.00699	10.6
217.01460	43.3
218.02148	2.5
219.03032	16.8
231.00830	0.9
231.03021	14.9
232.03783	0.7
233.04478	2.3
281.04565	0.8
289.07272	1.1
323.05576	2.1
341.06705	100.0
401.06488	0.7
413.66711	0.5
451.10410	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37782	0.2
59.01392	1.1
59.66546	0.2
60.72625	0.2
61.97557	0.2
67.01908	0.2
71.01388	0.7
72.99293	0.2
78.95913	2.0
85.02950	5.9
87.00864	1.4
92.10766	0.4
93.03450	2.5
96.96009	20.7
96.96913	2.1
102.05571	0.2
106.17738	0.2
109.02921	0.2
110.32461	0.2
111.00877	0.4
111.04547	1.3
115.00380	0.2
127.04003	1.6
133.01393	0.8
133.02969	0.9
135.04514	2.0
161.02431	1.8
171.03000	0.3
173.04565	1.3
175.69406	0.2
179.03450	1.8
191.05630	100.0
192.05904	0.3
278.34131	0.2
353.08826	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
59.01391	9.6
61.98845	2.1
63.93184	0.5
67.01897	0.7
68.99844	0.5
69.03471	3.3
71.01386	5.0
72.79813	0.5
75.09400	0.6
76.02242	0.5
77.67761	0.4
78.30094	0.5
80.85854	0.4
81.03494	0.8
83.01385	1.2
85.02956	4.1
87.00889	1.2
89.02462	0.7
89.91694	0.6
91.01909	1.2
93.03463	55.6
94.03794	0.7
95.01389	1.2
96.96072	0.5
97.02950	2.1
101.02447	1.1
103.55874	0.5
107.01399	2.0
107.04996	0.5
108.02214	1.8
109.02991	3.6
111.04537	1.0
113.02487	2.2
121.02969	18.3
123.00893	10.8
124.01670	26.1
125.02453	50.8
135.00029	0.5
135.00908	4.5
135.04544	13.4
135.96622	0.4
136.01607	1.7
137.02461	75.2
145.03059	0.6
149.99612	48.6
151.00375	4.2
151.63152	0.5
153.01962	2.3
161.02466	1.0
163.04051	2.1
165.02029	0.5
167.03484	1.2
168.00671	93.0
169.01454	9.4
172.38045	0.5
173.04558	4.0
179.03558	1.1
191.05658	22.8
192.06024	1.2
193.06064	2.1
211.02419	0.6
227.03625	5.3
313.05731	15.5
331.06769	39.1
405.11984	2.0
413.14551	7.7
451.08954	100.0
451.21619	2.3
452.09253	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
59.77293	0.2
71.01384	0.2
79.95742	1.1
85.02962	1.4
93.03455	0.3
96.96013	100.0
98.95614	0.3
99.92600	0.2
111.04560	0.3
112.38280	0.2
116.92870	0.2
127.04016	0.3
133.02945	0.7
134.03758	0.2
161.02333	0.3
178.02690	0.3
191.05635	20.8
192.06029	0.2
195.47678	0.2
229.22635	0.2
266.97009	0.2
325.79205	0.2
344.72424	0.2
353.08856	3.2
397.45108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82961	0.3
55.01909	0.3
55.15094	0.3
59.01395	10.5
60.01722	0.7
61.01819	0.4
61.98845	100.0
67.01910	0.6
71.01395	2.7
74.02528	0.3
75.00884	0.4
78.95891	0.4
85.02967	1.7
87.00900	1.3
89.02441	2.5
90.02769	0.5
92.32613	0.3
93.03459	4.7
94.03793	0.3
101.02473	2.5
108.02166	0.4
109.02973	0.4
113.02446	1.1
119.05001	0.5
121.02934	0.7
135.03023	0.4
135.04526	0.4
137.02467	0.4
141.06706	2.0
152.01190	0.3
155.10774	0.6
159.04222	0.3
163.04054	0.4
171.49556	0.3
171.66196	0.3
173.04576	1.8
174.04897	0.4
174.52908	0.3
179.03445	0.4
187.07613	0.5
188.08069	0.4
191.05647	9.3
192.05934	3.7
252.13283	0.4
287.85187	0.3
388.20294	0.6
389.20840	0.7
390.21268	5.6
414.94043	0.4
450.15366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72845	0.2
57.21587	0.2
59.01390	6.1
60.01721	1.0
60.99349	0.3
61.01819	0.4
61.98837	100.0
67.01885	0.3
71.01385	1.3
73.02954	0.5
75.73740	0.2
78.95918	0.4
85.02961	1.0
86.03328	0.2
87.00867	0.4
89.02452	1.3
93.03477	1.9
101.02433	1.1
102.02792	0.3
107.05019	0.2
108.72289	0.2
113.02460	0.4
119.03451	0.3
121.02975	0.3
128.98505	0.2
135.04474	0.4
137.02444	0.3
141.06721	1.4
148.01004	0.2
155.10834	0.5
163.04045	0.3
173.04555	0.9
191.05647	4.5
192.06036	2.1
221.32449	0.3
228.83887	0.2
388.20798	0.9
389.21219	1.1
390.20993	4.9
402.12711	0.3
450.15640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82411	0.1
55.13585	0.1
55.86996	0.1
59.01107	0.3
59.01397	7.7
60.01722	0.8
61.01827	0.8
61.98845	100.0
70.80363	0.2
71.01408	0.7
77.69080	0.2
83.40543	0.2
87.91894	0.2
89.02445	0.4
98.84449	0.2
99.96499	0.2
101.02451	0.3
113.19273	0.2
124.50420	0.2
134.13727	0.2
152.56721	0.2
172.39713	0.2
225.55424	0.2
244.15929	0.2
260.06461	0.2
391.20062	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05180	0.1
59.01389	5.3
60.01719	0.8
61.01810	0.3
61.98838	100.0
71.01402	0.3
85.02970	0.2
87.35589	0.2
95.46886	0.2
104.60049	0.2
113.41986	0.2
123.08096	0.2
156.19022	0.2
176.77493	0.2
179.51471	0.2
191.05624	0.3
276.14755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46725	0.5
53.34409	0.4
59.01390	100.0
61.98843	1.0
64.35239	0.5
70.08456	0.4
71.01398	6.2
85.02974	2.6
91.69444	0.4
92.66405	0.5
93.03469	2.0
101.02464	2.6
113.02506	3.5
113.06109	3.8
121.02969	37.9
121.26842	0.5
135.04541	28.4
137.02441	1.0
147.84377	0.5
148.61748	0.5
161.04585	5.4
163.04005	3.4
184.99336	0.5
188.05612	0.6
191.05644	1.8
191.18521	0.5
213.07678	0.4
223.06300	0.7
249.23602	0.5
348.81619	0.5
416.17792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13025	1.2
52.36287	1.1
54.14920	1.2
55.01884	1.2
59.01386	45.4
59.01655	2.4
60.01743	1.2
60.84939	1.1
61.61555	1.3
61.98833	100.0
63.63734	1.2
67.01901	2.1
71.01384	14.6
83.05035	1.6
85.02956	15.2
87.00912	3.3
89.02453	13.1
93.03454	12.3
94.03824	2.9
96.96019	1.8
101.02429	10.7
104.31768	1.5
109.02959	2.0
113.02464	6.5
119.03506	6.5
119.05010	2.5
121.02975	2.0
122.03257	1.3
127.03998	1.8
135.04526	2.4
135.15182	1.2
137.02451	6.3
172.05360	2.3
173.04546	16.8
173.05862	1.7
174.04886	8.0
175.03983	1.4
179.05626	1.7
183.10349	1.5
187.07649	17.3
188.07976	17.9
191.05632	47.2
192.05948	21.8
202.06331	1.8
209.11845	6.6
210.12206	7.6
213.09225	2.2
214.09581	5.2
225.14966	1.6
227.03571	9.3
227.12939	2.4
228.03786	12.1
228.13246	2.6
229.03996	7.2
230.04390	9.2
231.06645	2.4
231.10289	5.9
232.06985	8.4
232.10643	5.5
255.03004	6.3
256.03421	11.5
257.03638	6.8
258.03860	11.0
274.01929	1.4
275.09296	2.9
276.09531	9.7
284.03247	1.7
285.03674	10.0
286.03873	6.8
287.04208	11.3
331.03635	1.5
374.28430	1.7
385.18848	21.1
387.20300	53.9
387.25348	2.2
450.10278	28.7
450.19394	26.4
450.24640	4.0
451.16333	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	450.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50580	0.1
59.01389	1.6
61.98834	100.0
78.19994	0.1
80.66644	0.1
92.10373	0.7
92.10875	0.1
111.53565	0.1
112.38024	0.1
121.02928	0.7
122.03271	0.1
123.03397	0.1
148.47620	0.1
194.10512	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	449.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59572	0.6
54.82945	0.5
55.01895	0.5
55.67754	0.5
57.03467	2.2
58.00607	0.5
59.01387	100.0
61.98834	21.2
67.01897	0.7
69.03466	0.6
70.83504	0.5
71.01381	21.7
71.41962	0.5
72.99321	0.7
73.02946	4.3
83.01410	1.3
85.02955	10.7
87.00860	1.8
89.02440	19.5
93.03475	6.7
95.01396	1.3
99.00883	2.2
101.02442	20.0
113.02448	10.9
119.03510	7.6
121.02966	3.5
122.03264	0.6
124.63112	0.5
135.04489	0.9
139.00381	0.6
143.03618	0.7
145.02959	1.2
159.04501	0.6
161.04578	6.6
173.04555	3.0
179.05577	3.1
183.10338	1.0
187.07629	2.5
191.05652	18.4
202.06454	0.8
209.15440	1.2
213.09209	0.8
227.16519	3.7
231.10213	0.8
257.08307	2.3
389.21884	59.6
396.07343	0.7
411.16937	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.9
56.44794	0.3
57.03456	2.4
58.00596	0.5
59.01387	100.0
60.01721	3.1
60.99321	0.4
61.01810	2.7
61.98836	10.0
67.01883	3.0
67.97823	0.4
69.03452	1.1
71.01383	23.3
72.01731	0.9
72.81236	0.4
72.99311	1.7
73.02952	6.6
75.00869	0.9
78.95905	14.5
81.03442	0.5
83.01388	4.0
83.05038	0.8
85.02957	13.8
86.03273	0.5
87.00875	5.3
89.02448	14.5
91.02839	0.6
93.03459	21.0
95.01387	3.0
96.96021	0.6
96.96976	5.2
96.99316	0.4
97.02975	0.8
99.00892	2.7
99.04565	0.4
101.02443	17.6
102.02767	0.4
103.02879	0.6
108.02191	0.8
109.02982	5.2
111.00879	1.7
111.04548	3.4
113.02448	9.0
119.03497	5.8
121.02962	9.5
121.03771	0.8
122.03772	7.1
123.00890	3.1
123.04540	4.9
124.01694	0.8
125.02437	1.8
127.00357	0.5
127.04045	1.6
129.01927	0.7
135.04553	5.5
136.01779	0.5
136.98817	0.9
137.02477	11.2
138.03262	3.1
139.00414	4.6
143.03488	0.7
151.00377	0.9
152.01166	0.7
153.01924	2.5
153.05574	1.7
153.09218	0.5
155.10722	0.5
158.03719	0.5
159.03032	0.9
159.04501	2.0
161.02451	0.6
161.04588	6.2
163.03978	1.0
173.02556	0.4
173.03166	0.5
173.04594	6.9
173.06026	0.9
174.03207	0.5
175.07741	0.5
177.04051	0.6
178.99734	0.4
179.03473	0.7
179.05608	2.2
183.04530	0.5
187.07664	4.3
189.01979	0.5
190.02715	1.9
191.05641	48.3
198.06892	1.0
201.05724	0.5
203.10811	0.7
205.05084	1.0
213.09169	2.0
217.01454	1.0
217.09013	0.5
223.06145	0.6
225.14938	0.5
227.16708	1.4
228.04398	0.7
231.10220	0.7
233.04518	0.6
243.06580	1.9
257.08206	4.8
259.02295	0.7
269.04559	2.4
275.09222	2.3
281.06790	5.3
282.88681	0.5
283.08307	0.6
345.55847	0.4
371.07620	2.1
386.10065	2.1
387.20230	1.9
388.20456	3.3
389.21677	44.9
390.21136	0.7
401.12473	6.4
405.12009	10.0
405.17133	0.7
413.12317	1.9
419.13492	1.9
431.14099	3.4
449.10510	3.2
449.16129	7.3
449.21008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41681	0.7
55.01898	4.2
57.03471	4.9
58.00614	0.8
59.01395	67.1
61.98849	3.8
69.03466	0.9
71.01389	34.2
72.99316	1.8
73.02946	9.9
75.00879	8.3
83.01386	7.6
83.05050	0.8
85.02957	23.1
87.00870	5.7
88.98838	2.7
89.02451	16.0
92.65871	0.7
93.03458	1.2
94.98055	0.8
95.01405	3.0
96.96016	53.5
97.02973	1.5
99.00887	4.5
101.02445	25.2
103.89801	0.7
109.02969	3.9
109.06635	0.7
111.00890	10.5
113.02450	15.7
115.07678	0.8
115.16057	0.7
116.92849	0.8
119.03473	3.1
121.02950	7.3
121.06609	0.7
125.02419	3.7
129.01985	2.8
131.03482	3.0
133.03008	0.8
137.02452	40.1
138.03255	1.7
151.07663	1.3
152.04814	17.9
153.05612	2.9
159.03011	1.3
161.04562	4.2
167.07156	4.2
173.04550	3.2
177.02089	0.7
177.03986	6.2
178.02545	0.9
179.03508	4.2
184.03801	6.8
191.05659	5.7
193.04967	1.4
194.05862	4.4
195.05055	1.0
197.04565	4.5
198.06895	27.6
199.07687	5.8
209.08235	4.4
209.11801	0.8
212.06923	28.1
227.09290	54.8
237.06184	4.5
253.10825	1.7
261.70078	0.8
292.86899	0.8
334.64978	0.8
351.07129	0.8
383.13510	0.7
385.18469	0.8
389.14603	100.0
405.12146	9.1
440.00427	0.7
449.11398	0.9
449.16428	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	449.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87317	0.4
51.50819	0.3
58.77998	0.3
59.01388	100.0
59.08889	0.3
60.16983	0.3
70.07156	0.4
71.01403	0.6
71.52687	0.3
78.95858	0.4
79.95756	0.4
85.02970	0.4
87.00891	0.6
88.98801	0.4
89.02457	0.5
92.10188	0.4
93.03461	1.6
96.96012	37.0
114.42917	0.4
116.92876	0.6
122.02511	3.3
123.02903	0.6
133.01459	0.5
133.02954	2.9
147.04550	1.0
149.02477	4.8
163.47188	0.5
164.04799	14.9
164.07169	1.9
173.04535	0.6
177.02054	0.6
177.27454	0.4
178.02876	0.4
179.03557	0.4
179.07159	19.3
191.05614	2.6
215.05606	0.8
227.09309	9.5
351.07227	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65237	0.5
57.03462	2.0
59.01389	20.2
60.99311	0.7
61.98837	6.6
67.01896	6.5
69.03477	2.2
71.01386	8.4
71.41623	0.5
72.59112	0.5
72.99323	0.5
73.02960	2.6
75.00885	0.7
75.67418	0.4
78.91874	0.5
81.03458	1.2
83.01408	1.0
83.05035	1.0
85.02960	14.2
85.49592	0.5
87.00880	10.4
89.02450	4.1
93.02903	1.1
93.03458	33.2
96.95953	0.7
97.02954	0.7
99.00899	2.0
99.04518	0.8
101.02438	4.4
107.01405	2.0
109.02973	2.0
111.00922	3.7
111.04560	7.2
113.02457	2.9
117.03466	0.6
119.03555	0.8
121.02949	9.8
121.75418	0.4
122.68822	0.5
123.04530	25.6
124.07690	5.8
125.02460	1.1
127.04029	3.1
128.95068	0.5
129.01958	0.8
129.05568	0.6
131.36981	0.5
133.02979	2.9
134.03746	4.4
135.04541	15.5
135.08142	0.7
137.02452	2.6
137.09717	2.0
139.00388	11.7
140.09937	0.5
151.00388	9.2
153.01953	0.8
155.03520	2.0
155.09583	0.6
155.10823	12.4
161.04576	0.7
165.05598	0.7
172.05316	1.1
173.04576	16.5
178.99869	2.2
183.04964	0.7
183.06631	11.5
187.07668	8.3
191.05646	100.0
192.06006	0.5
197.00945	0.8
199.04085	1.1
199.09789	2.6
200.04819	1.0
202.06352	0.5
203.10794	2.5
213.09230	1.1
215.07155	1.9
227.03488	2.5
228.04271	0.6
231.10318	6.1
257.08243	12.3
275.09381	7.4
287.05862	3.8
287.14005	6.6
307.14948	0.5
320.63947	0.6
389.21683	3.6
405.08530	6.4
413.14581	4.7
449.07666	2.4
449.14639	16.7
449.20468	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07761	0.3
59.01389	8.2
59.41497	0.3
61.66349	0.2
61.98845	0.7
65.70908	0.3
67.01898	0.6
69.03474	0.3
71.01057	0.2
71.01377	2.3
83.05079	0.4
85.02953	13.4
85.25756	0.3
87.00870	3.4
89.02451	1.3
92.10201	0.3
93.03462	7.3
99.00906	0.3
99.04543	0.7
100.50468	0.3
101.02444	0.5
109.02953	1.4
111.04536	1.9
121.02931	0.5
127.04018	2.9
127.77945	0.3
135.04575	0.5
137.02505	0.3
139.00380	0.7
160.01701	0.3
171.03026	0.5
172.05284	0.6
173.04565	4.6
175.04022	1.3
179.41783	0.3
187.07675	9.7
191.05640	100.0
192.06046	0.6
199.04082	1.4
211.07901	0.3
213.09265	1.7
215.07179	2.0
228.04248	0.5
229.08943	0.4
231.10309	2.1
257.08237	7.6
260.89972	0.3
275.09259	0.5
311.16669	0.4
386.19479	0.4
389.21817	0.5
413.14664	0.6
449.14514	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	449.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08535	0.1
57.03456	0.4
59.01384	2.6
60.99311	0.1
61.98848	0.2
67.01914	0.7
69.03464	0.2
71.01389	1.3
73.02962	0.6
81.03475	0.2
83.05042	0.7
83.44392	0.1
85.02957	12.7
87.00873	2.7
92.65564	0.2
93.03461	5.4
93.24922	0.1
95.01402	0.2
97.03004	0.1
99.04520	0.6
101.02443	0.1
108.02230	0.1
109.02956	2.2
111.04528	1.7
113.02441	0.3
119.10844	0.1
121.03009	0.1
125.02475	0.1
127.04021	3.4
129.05617	0.1
134.03738	0.2
135.04518	0.8
137.02489	0.2
153.01982	0.7
155.03528	0.4
159.04543	0.1
161.02425	0.1
171.02998	0.9
172.05345	2.3
173.04596	2.4
173.06029	0.3
183.04553	0.9
187.04128	0.4
187.07666	14.4
191.05644	100.0
192.06015	0.8
197.06110	0.2
199.04056	1.7
200.04785	0.9
201.05563	0.2
202.06392	0.3
204.04364	0.4
211.04095	0.3
211.07686	0.1
211.98900	0.1
213.09259	1.6
214.06467	0.1
215.07187	3.3
227.03525	3.0
227.12976	0.2
228.04292	1.9
229.08746	0.6
231.10316	0.6
257.08246	10.9
258.08563	0.2
275.09436	0.9
389.22006	0.2
449.14764	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	449.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
57.03461	2.7
59.01385	31.3
60.01731	0.4
60.99308	0.6
61.01803	0.5
61.98836	14.6
65.00340	0.3
67.01889	3.3
69.03459	1.8
69.05228	0.3
69.74075	0.4
71.01384	8.5
71.27270	0.4
71.28371	0.3
73.02957	3.0
75.00873	0.8
78.95917	0.5
81.03458	0.8
83.01385	3.5
83.05048	1.6
85.02953	14.4
87.00874	9.1
89.02446	4.8
93.02863	0.8
93.03455	20.4
95.01418	0.6
97.02962	0.5
99.00900	0.9
99.04530	2.5
101.02437	6.8
108.02204	1.4
109.02954	3.1
111.00872	0.8
111.04545	4.9
113.02452	3.6
119.03515	0.9
119.05034	0.4
121.02974	5.6
125.02448	0.6
127.00395	1.6
127.04032	3.8
129.01974	0.7
135.02893	0.5
135.04517	4.7
137.02467	0.9
139.00383	3.1
142.94899	0.4
143.08630	0.5
145.02945	1.6
146.03725	0.9
149.06087	0.7
149.28171	0.4
152.01059	0.5
155.03543	2.9
155.10788	1.4
158.03743	0.8
159.04515	5.1
161.04561	2.4
163.03989	0.8
171.03151	1.2
172.05322	6.8
173.04546	10.6
173.06091	7.6
174.06824	0.9
175.07646	0.7
179.03490	0.5
182.03741	0.6
182.99283	1.6
183.04527	2.0
184.05278	0.5
185.06003	0.6
187.04118	3.8
187.07658	39.5
191.05635	100.0
192.05994	0.7
198.06749	0.5
199.04033	0.8
200.04773	2.7
200.27527	0.4
201.05658	5.0
201.09256	0.7
202.06395	13.2
203.10832	2.4
204.04210	0.7
209.11900	0.7
213.05692	0.6
213.09244	10.6
215.07173	9.9
216.07779	0.6
227.03516	2.2
227.16595	0.7
228.04300	1.9
229.08630	4.9
231.06854	2.9
231.10286	16.8
232.03758	0.5
257.08188	10.4
275.09299	23.9
371.17172	7.3
388.20505	0.4
389.21954	5.2
413.14642	0.9
422.11099	3.0
423.31268	0.4
449.14780	10.7
449.23959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1099
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
57.03453	0.5
57.51295	0.4
59.01386	28.9
59.10953	0.3
60.01720	0.5
61.98845	0.4
63.02401	0.5
65.00326	9.6
67.01904	1.0
68.99834	0.4
71.01380	6.3
73.02956	2.2
74.43237	0.4
75.00889	0.4
81.03446	0.9
83.01392	7.1
85.02962	8.9
87.00887	3.0
89.02443	3.7
92.10160	0.8
93.03448	11.4
95.01385	2.7
97.02938	0.5
99.00886	0.6
99.04536	0.5
101.02441	3.4
107.01401	22.1
107.02126	0.7
109.02969	4.5
111.00878	5.7
111.04534	2.3
113.02460	2.3
119.03509	0.8
121.02963	5.0
123.30281	0.5
125.02434	5.4
127.04026	2.1
131.01382	2.1
133.03008	0.5
134.03746	1.8
135.04530	97.9
137.02490	1.0
139.00380	26.8
145.02945	0.5
149.02492	0.5
151.00385	100.0
152.01204	0.4
153.01907	1.6
155.03560	0.5
155.10785	0.4
159.04559	1.0
161.02454	1.8
161.04608	0.7
163.04079	0.7
164.01190	0.4
164.98334	3.9
165.01947	1.6
167.03519	0.8
169.01361	0.6
171.03050	0.5
172.05292	0.7
173.04581	4.4
175.00356	7.1
177.01990	0.7
178.99744	0.6
179.05576	0.4
182.99304	5.8
187.07657	5.9
191.05630	67.0
193.01503	0.9
199.03998	0.5
200.04958	0.5
201.05597	0.6
202.06322	0.8
213.09262	1.8
215.07173	2.1
229.08801	0.5
231.10326	2.4
257.08279	2.7
258.51096	0.4
269.04736	0.7
275.09207	3.5
287.05646	74.2
311.05914	0.7
329.06973	0.6
363.24063	2.0
389.21829	7.6
405.25027	1.0
449.06598	4.6
449.14557	1.8
449.24167	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1097
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
57.03473	5.2
59.01389	41.6
60.01729	1.1
65.00343	4.3
71.01394	7.2
73.02962	1.3
75.00894	1.3
77.04016	0.9
81.03474	4.6
83.01379	8.3
85.02969	5.7
87.00904	1.9
89.01926	0.8
89.02466	4.8
93.03456	10.0
95.01368	1.2
97.02953	1.4
97.06586	0.9
101.02450	3.1
107.01404	9.4
107.41463	0.8
109.02995	3.6
113.02497	3.6
121.02966	66.3
122.03228	6.0
123.03558	1.4
123.04549	1.8
124.01672	1.9
124.68898	0.9
125.02454	55.1
129.01889	0.9
131.05096	1.2
133.02960	4.1
133.23697	0.8
135.03023	2.0
135.04570	3.5
137.02480	0.8
141.34521	0.8
149.02484	2.0
151.00398	23.2
152.01176	5.7
153.02003	7.1
159.04532	1.3
165.01941	25.2
167.03545	1.5
169.01414	0.9
172.05347	4.3
173.04688	1.6
173.06023	11.2
175.00398	2.1
175.03966	4.6
177.04155	1.0
177.05550	6.2
178.99905	15.0
181.01460	1.6
187.07703	1.5
191.05641	9.0
194.79970	0.9
200.04843	1.3
201.05620	3.1
215.07187	18.5
241.05023	1.4
243.06662	7.8
259.06152	100.0
260.06470	1.7
269.04547	1.4
283.06113	13.8
287.05664	48.2
301.07236	5.6
311.05783	1.6
313.02460	0.9
313.07037	1.6
327.11960	4.5
389.22202	2.0
421.11530	11.8
449.11081	11.3
449.16071	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	448.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39576	0.3
52.43736	0.3
54.45811	0.3
57.03468	0.4
59.01394	67.2
60.01730	5.6
61.98843	100.0
71.01400	4.0
72.01737	0.7
73.02946	0.6
83.01408	0.4
85.02972	2.0
89.02448	4.8
90.02737	0.4
101.02456	2.7
102.02765	0.4
106.72637	0.4
113.02483	1.7
119.03501	1.7
121.02950	4.9
122.03264	2.8
125.02419	2.2
132.57463	0.3
134.18871	0.3
135.04526	0.6
137.02483	0.4
161.04552	1.4
162.04826	0.4
179.03856	0.4
179.05669	1.5
189.12918	0.6
190.13254	0.6
259.06006	0.7
269.04480	0.6
287.05508	0.6
336.27133	0.4
339.74799	0.4
387.19934	0.4
388.20407	2.9
414.54114	0.4
450.38263	0.4
474.86993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	82.8
60.01732	6.9
61.98836	100.0
71.01381	28.7
72.00913	7.9
72.01723	2.0
72.99301	1.6
73.02962	6.6
75.00883	3.1
83.01415	1.9
85.02977	9.8
87.00878	1.9
89.02444	36.4
93.03468	2.8
101.02444	17.1
113.02489	9.1
119.03532	13.9
121.02948	45.4
121.03755	2.6
122.03325	6.8
125.69065	1.4
135.03047	1.9
135.04549	20.9
136.03410	1.4
143.03525	2.2
161.04543	7.7
163.04053	2.2
179.05623	12.0
180.06041	1.4
191.05650	11.7
205.12256	2.7
225.15245	1.6
345.26663	1.3
385.18787	47.2
388.20886	9.4
412.17087	2.3
448.12292	4.4
448.17575	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42455	0.2
55.01868	0.3
57.03459	0.2
57.83843	0.2
58.36516	0.2
59.01386	10.7
59.84515	0.2
60.01726	1.3
61.01821	1.0
61.98835	100.0
62.57341	0.2
62.81071	0.2
66.35430	0.2
71.01382	4.6
72.01712	0.5
73.02949	1.4
74.03294	0.3
85.02967	1.4
86.03319	0.4
89.02458	2.9
90.02798	0.3
91.02875	0.3
92.03212	0.3
93.03452	0.5
94.03765	0.3
97.02934	0.3
101.02425	2.7
102.02761	0.8
103.64056	0.3
113.02464	0.6
119.03513	0.4
121.02959	16.5
122.03293	8.7
135.04527	7.6
136.04846	4.3
137.02481	1.0
161.04549	0.4
163.04018	0.5
163.06128	1.1
164.04329	0.4
181.07326	2.2
182.07547	1.0
206.07315	0.3
223.06372	0.3
325.11371	1.2
326.11758	2.0
402.14621	0.5
448.15506	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43059	0.2
55.01890	0.6
57.03456	0.6
59.01393	21.3
63.57045	0.2
64.08549	0.2
67.51998	0.2
69.02616	0.2
69.03455	0.4
71.01390	12.5
72.99305	0.5
73.02953	3.9
75.98087	0.3
83.01405	0.6
85.02957	4.7
87.00896	0.4
89.02448	6.6
92.10140	0.3
95.01396	0.4
96.96062	0.4
97.02962	0.5
99.00902	0.5
101.02446	10.6
107.47761	0.2
113.02466	3.4
113.29202	0.2
119.03500	2.0
121.02960	100.0
122.03307	0.5
126.00706	0.2
126.78527	0.2
130.14297	0.2
131.03502	1.0
135.04533	47.1
136.04877	0.3
137.02521	0.3
143.03522	0.5
144.11720	0.3
145.05135	0.5
161.04510	1.7
163.04050	3.8
163.06129	5.1
179.05701	1.0
181.07182	8.4
181.85426	0.3
182.56027	0.2
185.64214	0.2
205.07227	2.0
217.07365	0.3
223.06131	1.1
325.11447	28.7
379.32233	0.3
387.20386	0.3
447.15100	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30654	1.1
57.94216	1.0
59.01394	6.5
60.54303	1.0
61.98848	1.9
62.26348	1.1
78.95932	3.0
100.21082	1.3
105.56875	1.2
110.98523	2.4
185.02119	1.8
221.08173	5.8
257.53632	1.2
279.23340	100.0
284.03186	1.9
410.85938	1.4
447.25793	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	447.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41500	0.8
59.01390	100.0
62.80646	0.7
63.83491	0.8
71.01396	6.0
85.02950	1.0
85.54916	0.9
89.02451	7.9
92.10172	2.2
95.64787	0.9
101.02451	3.3
102.03851	0.9
113.02468	4.3
119.03503	2.2
121.02967	1.1
148.55074	1.0
161.04590	1.9
179.05602	2.2
387.20074	5.6
447.22717	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.5
59.01389	100.0
64.66196	0.5
71.01383	13.9
71.05029	0.9
73.02960	3.3
75.00873	0.9
76.40825	0.7
83.01387	1.1
85.02972	7.3
89.02454	7.7
93.48016	0.6
95.01425	0.9
101.02454	8.4
113.02464	6.6
119.03528	2.6
138.06866	10.7
153.09222	26.5
159.02982	1.0
161.04576	10.5
207.13983	2.4
225.15012	34.7
225.79112	0.6
387.15646	1.2
387.20352	23.4
447.22311	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35498	0.3
54.28224	0.3
54.48951	0.3
55.01885	0.5
56.07808	0.4
57.03448	0.3
59.01388	100.0
60.08065	0.3
71.01386	7.1
72.99310	0.5
73.02962	0.6
75.00896	1.8
76.97766	0.4
85.02969	2.5
87.00877	0.8
88.98816	0.7
89.02438	6.8
90.49823	0.4
91.01923	0.5
96.96013	10.9
96.96969	0.5
97.41692	0.3
99.00904	0.4
99.63314	0.4
101.02464	4.2
113.02464	2.7
119.03519	2.1
121.02960	26.4
127.04050	0.3
133.70787	0.3
135.02992	0.7
135.04532	3.3
137.09801	0.4
140.99083	0.3
143.03539	0.6
153.01920	0.5
156.86467	0.4
161.04584	1.6
163.04028	0.4
163.11337	0.6
165.88744	0.4
171.39523	0.4
177.03999	0.4
179.00067	0.5
179.05617	3.0
181.12384	0.6
225.07632	0.5
265.09265	0.5
268.03943	0.6
325.11441	1.6
387.20660	0.6
431.09912	0.5
447.15591	0.7
447.22336	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24715	0.3
59.01387	100.0
71.01387	4.3
73.02943	0.6
83.29830	0.5
85.02956	1.6
89.02441	1.8
101.02450	2.2
103.31013	0.4
113.02461	1.6
121.02959	7.3
123.08172	2.0
140.57385	0.4
143.75594	0.5
161.04567	2.5
163.11292	2.2
179.05519	0.7
189.12871	3.6
207.13983	5.0
225.15038	1.5
324.07617	0.4
366.24634	0.4
387.20319	3.2
418.41907	0.4
447.22113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82836	0.3
59.01388	100.0
61.33582	0.3
61.98839	0.7
68.13387	0.3
70.56663	0.3
76.80353	0.3
78.40556	0.3
82.26083	0.3
92.10780	0.7
93.03491	0.4
105.66014	0.4
112.73919	0.3
121.02963	4.6
122.11141	0.4
135.04527	2.2
227.03522	0.8
255.03072	1.8
257.67017	0.3
284.03400	1.5
285.04065	0.4
364.92099	0.4
399.79993	0.4
447.09155	0.7
447.31384	1.7
456.90524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82904	0.5
55.01896	0.6
59.01387	12.9
59.01659	0.8
70.55754	0.5
71.01382	10.1
73.02966	2.7
83.01427	0.6
85.02953	5.4
87.88279	0.5
89.02451	4.9
92.10764	0.9
97.02962	0.8
101.02451	12.9
113.02457	3.9
115.04017	0.6
119.03514	1.0
120.77627	0.5
121.02961	100.0
131.03539	0.6
135.04535	48.2
143.03535	1.9
145.05067	1.9
161.04597	0.8
163.04068	3.5
163.06129	6.9
163.84077	0.5
179.05618	0.6
181.07161	7.3
205.07155	2.8
223.06248	0.6
325.07568	0.9
325.11447	28.1
447.15424	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81286	0.3
55.01883	0.5
59.01384	14.4
60.22347	0.4
61.70318	0.4
71.01383	11.4
73.02949	6.2
74.33883	0.4
83.01410	1.7
85.02940	4.9
87.00889	0.6
89.02439	5.5
92.80992	0.4
97.02908	0.6
101.02448	10.1
113.02433	3.2
119.03498	2.2
121.02956	100.0
127.90179	0.5
131.03540	0.6
135.04533	56.5
139.00146	0.5
147.04565	0.7
161.04552	1.8
163.04033	7.0
163.06128	2.7
181.07204	16.1
186.78641	0.5
205.07208	0.9
219.41347	0.5
223.06190	3.6
325.11456	8.9
377.40411	0.5
447.15213	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	447.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10835	0.6
59.01387	88.9
64.34931	0.7
71.01403	1.8
75.00893	3.1
75.79912	0.8
82.81158	0.7
85.02959	0.9
89.02452	1.1
96.96050	3.0
101.02462	1.3
101.73811	0.9
109.02950	1.5
119.05022	0.9
119.76942	0.7
121.02956	5.2
127.35355	0.7
135.02995	4.4
135.04527	0.8
136.03348	1.6
137.02457	4.4
150.02110	0.8
151.04056	0.7
153.05522	1.0
153.70029	0.8
165.01929	30.0
177.01913	3.1
180.04292	59.6
191.05606	1.2
192.04305	3.4
195.01405	1.0
195.03030	18.6
195.04762	1.8
195.06644	57.0
207.06665	1.8
210.05368	30.2
210.07199	0.9
225.07716	100.0
237.91246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34379	1.0
53.61124	1.1
55.21223	1.0
59.01395	99.2
71.01407	4.4
75.00893	2.7
76.57684	1.2
85.02969	4.3
89.02484	5.2
90.79765	1.3
96.96030	5.7
101.02469	1.9
103.86871	1.2
107.05038	1.4
109.02985	5.2
111.64408	1.3
121.02946	14.1
125.02534	1.3
135.03046	5.3
135.04494	1.9
136.74272	1.2
137.02467	2.7
137.03427	2.1
152.43433	1.2
153.02028	3.4
164.58340	1.1
165.01945	30.9
168.00780	1.5
177.02031	1.6
180.04309	63.2
191.05699	12.2
192.04320	2.3
195.03014	16.7
195.06654	53.6
204.70142	1.2
207.06586	4.0
207.55507	1.2
210.05414	25.6
222.82767	1.2
225.07722	100.0
309.41574	1.7
311.82236	1.3
447.11392	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	447.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62081	0.5
54.69191	0.5
54.97219	0.5
59.01389	19.1
71.01396	10.9
73.02967	2.7
85.02964	5.2
88.98817	1.0
89.02468	5.0
99.00895	0.9
101.02449	7.5
104.34253	0.7
113.02454	4.1
115.04041	1.0
119.03518	1.5
121.02962	100.0
131.03526	0.7
135.04536	64.8
160.56976	0.6
161.04576	2.6
163.04025	7.1
163.06122	4.4
181.07170	5.9
193.05075	0.7
205.07175	1.5
223.06113	2.6
283.08188	0.7
325.11505	9.1
447.15256	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	447.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62191	0.5
59.01394	5.6
61.98844	14.7
67.63473	0.5
78.95915	48.3
90.05243	0.6
96.96968	2.7
120.80241	0.7
121.02953	0.8
138.28336	0.6
149.00111	27.8
152.99612	5.8
153.71799	0.5
158.92522	2.0
177.91879	0.5
179.01186	3.3
205.16005	3.3
227.03496	1.0
255.03018	3.7
281.62497	0.6
284.03238	1.1
405.16089	0.7
417.12491	0.9
431.10419	2.6
447.13544	100.0
447.31058	6.1
448.13705	1.0
470.06223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52053	0.3
59.01387	11.7
59.01693	0.4
71.01379	7.2
72.00906	0.5
72.99313	8.0
73.02933	0.7
73.41273	0.3
75.00873	9.6
85.02971	3.0
87.00886	5.9
89.02440	8.7
99.89587	0.3
101.02453	3.2
102.37343	0.3
103.00375	3.2
103.04030	3.7
104.03542	2.7
105.01939	100.0
106.26334	0.3
113.02444	1.9
115.00381	8.3
119.03504	1.9
133.01430	13.4
135.03041	2.6
137.02524	0.5
149.04553	5.1
152.01006	0.3
163.06163	0.4
165.04022	0.8
171.77135	0.4
171.78520	0.3
179.05554	0.4
181.07179	1.3
188.01779	0.3
265.09326	14.9
267.07205	0.7
343.12091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1305
Annotation	Siebolside A
Peak:m/z	Relative Intensity
50.42926	0.3
59.01387	6.9
59.38245	0.4
64.56953	0.3
65.00333	0.5
71.01380	0.5
75.97488	0.3
80.02612	0.4
91.01895	21.9
92.10142	0.9
93.03442	0.5
95.01402	0.9
106.62241	0.4
107.05012	0.5
108.02186	29.8
109.02972	12.4
121.02967	2.0
123.00874	8.6
124.01707	0.7
133.47348	0.3
135.00893	18.9
137.02467	4.8
149.02469	0.8
152.01173	25.1
153.01955	9.5
167.03462	0.6
181.88139	0.4
195.02962	0.4
197.06154	2.0
207.22160	0.4
213.05634	2.0
215.07304	1.6
225.05614	0.7
227.03511	0.7
243.06657	100.0
244.06866	0.7
255.03041	0.8
279.05188	1.7
284.03125	0.5
297.06204	2.5
320.03198	0.5
339.07339	0.5
355.39313	0.4
447.13477	0.4
467.54395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47581	0.2
50.55149	0.2
55.71787	0.2
59.01390	1.4
61.98842	4.6
62.96431	1.4
66.96422	0.2
71.09517	0.3
71.17998	0.3
71.94917	0.3
78.95907	44.9
86.85793	0.2
96.96968	3.8
97.37045	0.3
121.02924	0.7
125.49859	0.3
149.00108	27.5
151.37888	0.3
152.99576	1.2
158.92542	2.6
169.25342	0.3
179.01138	4.1
205.15974	2.5
227.03464	1.4
246.62509	0.3
255.03032	1.3
284.03363	0.7
285.04092	0.4
347.08279	0.4
417.12466	1.3
431.10336	3.9
447.13535	100.0
448.13892	1.1
460.81955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18792	0.3
57.45580	0.3
57.45901	0.3
57.64590	0.3
59.01385	4.9
59.90843	0.3
61.98849	0.6
65.00332	0.6
71.01407	0.3
73.90256	0.4
78.92218	0.3
80.02692	0.8
91.01893	22.4
92.10165	0.8
93.03444	0.5
95.01389	0.8
107.05073	1.4
108.02184	27.5
109.02991	5.6
121.02936	2.6
123.00877	8.0
124.01639	0.7
135.00890	19.5
137.02452	5.1
138.18765	0.5
141.19589	0.4
152.01169	23.1
168.85310	0.4
172.31387	0.3
197.06117	1.6
199.07712	0.7
213.05635	2.3
215.07161	0.4
227.03511	1.4
243.06648	100.0
244.07005	0.8
255.02989	1.7
284.03345	1.6
308.71085	0.4
331.09985	0.5
447.13525	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	447.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58659	0.4
59.01394	0.7
63.02386	0.7
88.80147	0.5
92.65462	0.6
93.03489	0.6
107.01389	1.0
114.01569	0.5
119.05021	2.9
121.02950	0.9
133.53064	0.6
135.00851	0.9
151.00369	1.2
163.00406	0.7
171.04559	0.6
183.04547	0.9
185.05952	0.7
210.44374	0.6
211.04050	2.5
213.05516	0.9
227.03543	85.5
229.05075	3.0
255.03020	100.0
256.03830	8.4
257.04510	1.0
284.03311	67.3
285.04086	28.2
447.09415	80.6
469.35367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1305
Annotation	Siebolside A
Peak:m/z	Relative Intensity
59.01390	95.7
67.28222	0.9
71.01374	2.0
80.26136	0.8
83.16994	0.9
83.81525	0.9
92.91426	1.0
107.99847	1.0
113.02473	2.3
115.50576	0.9
121.02968	100.0
121.57848	1.0
135.00929	1.3
135.04550	23.0
163.04021	1.5
175.56349	1.0
211.13374	1.0
224.58014	1.4
227.03503	2.1
243.06677	4.3
249.82019	1.0
255.02917	4.4
284.03186	1.5
362.75595	1.1
447.09384	1.9
469.78683	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31525	0.4
57.03474	0.7
59.01390	33.1
60.20265	0.5
64.52403	0.5
65.00359	1.4
71.01421	3.2
72.99319	16.8
72.99687	1.0
73.03003	1.0
75.00881	5.1
81.03506	2.7
85.02974	1.8
89.02495	2.9
93.03465	26.5
96.96062	1.1
97.02990	2.5
101.02487	1.3
107.05065	4.4
113.02509	0.6
117.03445	0.8
119.05034	53.2
121.02975	6.4
134.03819	2.4
135.04539	36.3
137.02516	0.6
137.06171	0.7
151.00456	0.7
161.04579	0.7
163.04028	44.7
164.01154	0.6
165.01935	15.2
177.04324	0.9
179.03522	1.2
181.05093	100.0
191.05682	4.7
207.13960	0.6
223.07848	1.1
225.15016	1.2
227.03505	5.2
255.03012	4.5
269.04800	0.6
284.03503	3.7
285.04254	7.9
285.07895	17.2
387.20273	1.4
447.13358	40.4
448.13690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.1
59.01387	59.3
59.37502	0.1
69.20439	0.1
71.00993	0.3
71.01380	4.4
73.34594	0.1
75.00876	0.1
83.01404	0.7
83.52113	0.2
85.02966	1.1
89.02452	6.2
92.10819	0.3
93.03489	0.8
94.38554	0.2
95.01411	0.3
101.02448	2.0
107.01385	1.4
113.02463	2.0
119.03497	2.7
125.02432	0.3
131.03532	0.3
132.02196	0.4
135.00896	0.7
143.03545	0.7
143.05016	0.3
149.04559	0.2
151.00394	2.0
152.01044	0.2
153.01952	0.2
161.04538	0.9
163.00366	0.2
167.05145	0.2
169.06558	0.3
175.04010	0.3
178.99881	0.3
179.05634	2.9
183.04547	2.1
185.06067	0.9
187.03999	0.8
191.05629	3.1
193.01212	0.2
199.04140	0.2
200.04628	0.2
201.05630	0.3
211.04024	2.8
213.05652	0.3
214.02963	0.2
227.03540	87.2
228.04152	1.2
229.05101	2.6
239.03474	0.8
241.05214	0.3
255.03023	100.0
256.03778	7.9
257.04633	1.6
267.02972	0.2
283.02451	0.3
284.03299	73.8
285.04068	18.9
313.71945	0.2
327.05231	0.9
333.20529	0.2
387.20358	1.4
447.09393	70.3
448.09534	1.2
468.56485	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55850	0.8
59.01391	29.5
64.34451	1.0
64.51924	0.9
73.17411	1.0
76.57076	1.0
77.03237	1.1
85.02943	1.1
89.02445	4.5
92.10144	2.0
93.03477	1.7
96.65523	1.0
101.02431	1.3
102.40289	1.0
119.04969	0.9
121.02952	2.1
161.84158	1.0
173.04535	1.8
181.22261	1.0
183.04518	1.6
191.05626	6.8
199.74411	1.0
211.04053	1.9
227.03552	89.3
228.04018	1.3
255.03026	100.0
256.03726	7.3
284.03308	81.0
285.04117	17.6
369.57907	1.1
418.73215	1.4
447.09415	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48692	0.4
59.01381	2.1
61.98835	100.0
68.76482	0.4
78.95903	9.0
79.22533	0.4
92.10087	1.2
96.96961	0.7
119.38778	0.4
121.02943	0.7
146.11269	0.4
149.00116	5.4
152.99548	0.5
179.01077	0.6
194.05324	0.4
212.95265	0.5
313.46588	0.5
346.52747	0.5
431.10187	0.7
447.07553	0.6
447.13614	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	446.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.4
59.39891	0.4
61.98838	100.0
67.41196	0.5
80.17966	0.5
89.90049	0.5
92.10847	1.1
171.00404	0.5
255.02977	0.6
290.66013	0.5
300.91980	0.4
423.38214	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35327	1.7
69.51061	1.6
90.19039	1.6
107.20763	1.6
162.06927	9.5
162.52315	1.9
163.07654	74.7
177.09181	3.6
216.46420	1.8
269.11371	2.0
370.51172	1.9
446.37741	100.0
447.38556	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33131	0.6
57.03453	1.1
59.01389	100.0
61.17556	0.6
70.71655	0.6
71.01385	26.8
73.02953	5.0
75.00889	5.6
83.01411	0.9
85.02953	13.5
87.00893	1.3
89.02441	22.7
93.03486	1.5
95.01400	4.7
96.68982	0.7
101.02437	16.2
103.79551	0.6
105.53778	0.7
113.02466	18.0
119.03506	7.6
119.04999	11.3
121.02956	18.9
131.03477	5.1
135.03030	8.4
135.04550	7.8
138.06880	5.1
139.07684	1.7
143.03532	1.7
143.05092	3.0
151.07684	1.7
152.08505	5.4
153.09227	20.9
161.04550	9.6
163.04012	4.3
179.05641	7.5
205.12340	7.4
223.13408	7.3
237.09270	4.3
239.10849	0.8
265.08731	1.5
280.12622	0.8
283.09766	9.1
327.08807	34.5
385.18756	14.9
408.27527	0.8
445.11591	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	445.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32661	0.8
53.98528	0.8
58.84549	0.8
59.01390	3.8
62.77681	0.8
63.49397	0.8
66.10874	0.8
71.22365	0.8
75.00891	0.9
78.95918	5.2
110.98556	4.4
122.62622	1.0
145.50325	1.0
167.01134	1.9
174.16658	0.9
185.02167	2.0
257.60703	1.0
277.21744	100.0
383.54041	1.0
445.23764	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	445.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35707	0.8
59.01386	100.0
70.29693	0.9
103.33779	0.9
152.88434	0.9
164.72418	1.1
180.47871	1.0
193.38908	0.9
195.22739	0.9
197.83369	0.9
200.59563	0.9
267.03662	1.1
431.36237	1.0
449.75513	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33131	0.6
57.03453	1.1
59.01389	100.0
61.17556	0.6
70.71655	0.6
71.01385	26.8
73.02953	5.0
75.00889	5.6
83.01411	0.9
85.02953	13.5
87.00893	1.3
89.02441	22.7
93.03486	1.5
95.01400	4.7
96.68982	0.7
101.02437	16.2
103.79551	0.6
105.53778	0.7
113.02466	18.0
119.03506	7.6
119.04999	11.3
121.02956	18.9
131.03477	5.1
135.03030	8.4
135.04550	7.8
138.06880	5.1
139.07684	1.7
143.03532	1.7
143.05092	3.0
151.07684	1.7
152.08505	5.4
153.09227	20.9
161.04550	9.6
163.04012	4.3
179.05641	7.5
205.12340	7.4
223.13408	7.3
237.09270	4.3
239.10849	0.8
265.08731	1.5
280.12622	0.8
283.09766	9.1
327.08807	34.5
385.18756	14.9
408.27527	0.8
445.11591	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	445.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03395	0.2
58.00597	0.6
59.01386	100.0
71.01381	13.9
72.99294	1.0
75.00876	3.8
83.01371	0.4
83.05028	3.2
85.02946	2.3
89.02442	22.5
92.65933	0.3
95.01379	0.5
101.02441	6.1
103.15202	0.3
113.02451	4.7
119.03510	8.1
119.05025	1.2
121.02949	0.4
131.03523	0.3
135.02995	6.3
142.12129	0.2
143.03474	1.5
144.72090	0.3
146.97534	0.3
149.04556	0.7
161.04575	2.4
163.04086	0.4
172.06108	0.3
179.04079	0.7
179.05624	13.4
223.55763	0.3
327.08905	1.7
337.93161	0.3
445.20856	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91256	1.0
51.36377	0.9
52.28963	1.0
54.82705	1.1
54.86719	1.1
55.37875	1.1
59.01389	100.0
59.96988	1.0
61.98844	2.2
64.58472	1.2
71.01402	1.4
74.39001	1.1
78.95926	2.5
96.96003	1.7
112.99725	1.6
121.03017	1.5
135.03058	2.1
149.00072	9.8
154.78770	1.3
180.95288	1.3
205.15985	9.9
217.31102	1.4
355.16840	28.6
385.18027	16.2
445.29431	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	445.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09210	0.3
55.01895	0.5
59.01389	100.0
71.01385	9.9
72.99304	0.6
73.02960	1.9
75.00883	3.3
85.02958	3.2
87.00888	1.5
89.02445	8.2
92.10038	0.9
93.03454	2.2
95.01391	0.5
99.00842	0.6
101.02428	5.8
103.50038	0.4
111.00829	0.5
113.02500	4.2
117.03486	0.8
119.03568	4.8
119.05027	20.1
120.05398	0.8
121.02959	21.2
125.47298	0.4
131.05014	0.6
133.05946	0.4
135.03009	6.1
135.04576	1.5
143.03542	1.0
145.02959	3.0
149.04613	0.4
151.00381	1.8
159.04547	0.9
161.04556	1.5
163.04028	7.9
175.07449	0.6
178.99815	0.7
179.05621	3.1
187.11316	3.7
204.11615	0.6
205.12341	4.0
210.06976	0.4
211.07654	1.5
223.07741	1.4
227.03447	0.4
233.11897	2.3
243.02960	1.6
247.96747	0.5
255.03009	2.8
256.03510	0.6
259.13358	0.5
271.02527	7.5
272.02917	1.7
277.14438	0.9
299.01880	0.5
300.02783	10.4
301.03455	3.9
304.06000	2.5
304.55963	0.5
317.10379	0.5
337.71460	0.4
385.14526	0.7
385.18869	3.5
445.21249	0.5
463.08957	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01350	1.0
51.36105	1.2
55.69534	1.2
59.01388	100.0
75.00880	1.6
80.61700	1.3
81.81023	1.2
86.28659	1.2
92.10795	3.8
93.74129	1.1
96.98248	1.4
97.23119	1.5
119.05026	49.1
121.02951	2.7
124.79913	1.2
129.65744	1.1
135.02991	6.7
153.37308	1.2
254.59070	1.3
263.06940	1.4
291.66937	1.5
445.29584	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	445.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39075	1.7
57.92853	1.9
59.01393	45.4
59.48636	1.7
69.91642	2.2
71.01385	25.8
72.99326	8.6
73.02947	8.7
75.00876	69.2
85.02503	1.7
85.02973	10.3
87.00895	10.6
89.02451	34.3
92.10058	2.4
101.02446	7.6
103.00378	100.0
103.04021	4.4
104.03556	2.2
113.02444	4.5
115.00385	20.6
119.03494	3.2
129.01921	2.7
131.03477	2.3
133.01424	37.6
135.02968	8.5
135.04541	12.9
147.02994	9.8
147.06714	2.2
149.04564	71.6
165.04105	2.8
179.05624	3.6
191.05724	17.3
265.09344	16.7
283.67892	2.2
330.27740	2.2
341.11026	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	445.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00121	0.5
59.01385	13.7
59.30030	0.6
59.83583	0.5
61.98829	0.9
71.01385	5.1
73.02956	1.4
75.00878	6.1
78.95869	0.6
85.02969	3.2
87.00899	2.5
89.02441	6.1
91.69870	0.6
93.03462	3.1
96.96013	15.4
96.96967	0.9
99.00878	0.7
101.02491	4.9
103.90659	0.6
113.02457	3.5
117.01953	2.5
117.03418	0.8
119.03522	1.3
119.05019	13.1
120.05371	2.9
121.02947	10.7
121.05054	1.2
123.04523	0.8
129.10539	0.6
133.02963	34.1
134.03821	1.2
135.03018	9.9
135.04535	12.8
137.02460	1.4
143.05028	1.4
149.00720	6.5
149.02460	30.5
151.04074	0.8
152.01175	1.2
160.01770	0.7
161.02467	100.0
163.04025	8.6
164.04825	32.8
165.01901	1.1
165.04556	0.7
173.04602	0.7
179.03531	7.7
179.05675	0.9
179.07144	9.9
191.05658	1.2
192.99805	1.2
193.01515	2.4
196.07417	0.6
208.03845	9.8
211.09686	1.1
212.96397	0.5
223.06154	32.3
237.09230	4.1
239.10846	0.8
243.89949	0.6
258.23895	0.6
266.26929	0.7
283.09714	3.3
320.65628	0.6
325.05566	1.0
327.08795	10.5
385.11462	1.2
445.13589	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1149
Annotation	5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone 8-acetate
Peak:m/z	Relative Intensity
59.00924	0.4
59.01387	8.0
61.98832	3.8
66.34935	0.4
68.61807	0.5
69.03463	0.8
69.69710	0.5
70.53810	0.5
71.01384	3.0
71.35273	0.5
71.66408	0.5
75.00858	2.2
81.03467	2.2
85.02953	1.8
92.10812	1.2
93.03456	3.6
95.01397	0.6
97.02968	0.6
101.02445	1.0
107.05026	0.8
108.02187	100.0
109.02964	51.3
117.03429	0.8
119.04153	0.6
119.05007	1.1
121.02967	10.1
123.00879	0.6
123.04549	0.9
132.02200	0.8
133.02959	15.0
134.03745	2.7
135.02977	2.9
135.04536	45.8
137.02458	1.2
147.04524	3.1
150.57849	0.5
152.01175	59.6
153.01959	29.8
161.02458	35.9
163.04054	2.1
165.01894	0.7
173.04524	1.0
177.01994	1.0
179.03526	21.8
183.08127	1.1
188.76102	0.5
191.05623	1.2
193.05022	0.6
195.08112	0.7
197.05940	0.7
203.03491	0.8
211.07657	2.6
239.07204	5.6
411.98215	0.6
445.11517	64.9
446.12064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54663	0.3
54.54290	0.3
57.02576	0.3
57.75902	0.3
59.01382	2.3
71.01389	0.4
75.00875	0.4
80.03413	0.3
89.02477	0.3
93.03451	0.7
107.05037	1.5
107.18741	0.3
119.04986	0.4
121.02956	4.6
133.03020	0.4
134.03725	2.8
135.04535	100.0
136.04909	0.4
151.30116	0.3
163.04083	0.5
164.78743	0.3
173.04530	0.7
179.03513	64.6
180.03908	0.5
226.63364	0.3
323.07858	1.3
378.47549	0.3
406.61261	0.3
445.11505	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88673	0.2
59.01390	5.1
60.99313	1.1
61.98849	0.4
66.89716	0.3
71.01393	1.8
73.02959	1.5
74.09601	0.4
75.00883	1.9
84.95443	0.3
85.02966	1.1
87.00893	0.3
88.36983	0.3
88.98813	7.4
89.02468	1.1
93.03465	1.6
101.02435	0.4
107.05048	1.4
113.02433	0.4
119.05045	1.3
121.02977	6.1
129.01967	0.4
133.03004	0.4
134.03784	3.4
135.03104	2.7
135.04544	100.0
136.04866	0.4
137.02460	2.4
155.10780	2.6
159.04572	0.4
163.04018	0.3
173.04565	0.7
177.04066	2.0
178.02629	0.3
179.03523	71.7
191.05615	0.6
195.04996	0.4
199.09828	0.4
209.11943	0.4
258.61667	0.3
283.15601	1.2
285.04111	0.7
294.80817	0.3
295.02573	0.4
327.08847	0.5
405.80820	0.3
413.82211	0.3
445.11603	6.3
445.21692	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60020	0.2
55.11240	0.2
58.60093	0.2
59.01389	13.0
60.28911	0.2
60.81426	0.2
71.01388	4.0
72.99312	4.3
73.02947	0.3
75.00872	50.2
85.02962	1.1
87.00883	0.4
89.02444	11.2
89.08677	0.2
92.98908	0.2
93.03451	0.5
95.52291	0.2
99.00864	0.4
101.02444	0.9
109.26973	0.2
109.57275	0.2
113.02454	1.0
117.01950	3.1
119.05046	3.8
121.02964	2.2
135.03009	100.0
145.06516	0.2
161.04628	0.5
163.04076	1.8
163.11320	0.5
175.11195	0.2
175.39226	0.2
179.05672	0.4
187.11377	0.3
202.76550	0.2
205.12367	2.5
211.07675	1.5
221.06650	0.3
237.09167	0.2
282.34302	0.2
283.09760	0.9
290.84586	0.2
327.08832	2.2
406.48816	0.2
433.46970	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41617	0.4
59.01109	0.7
59.01387	12.1
61.56942	0.5
71.01386	3.2
72.99299	5.5
75.00873	43.6
77.90871	0.4
86.89804	0.4
89.02446	10.1
92.10081	0.9
93.03474	3.8
99.00922	0.4
113.27590	0.6
117.01956	3.7
117.45855	0.4
119.03596	0.6
119.05028	22.3
128.15048	0.4
135.03006	100.0
143.05077	0.8
145.06601	0.5
149.34706	0.4
163.04018	12.1
221.09903	0.6
235.07542	0.6
237.09247	2.9
239.10701	0.8
265.08768	2.1
279.99979	0.4
283.09641	4.7
309.07755	0.7
327.08786	19.4
358.83063	0.5
362.14807	0.5
372.91672	0.4
445.11462	0.7
457.99112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70434	0.4
57.87104	0.4
59.01393	6.2
61.59982	0.4
68.77885	0.4
71.01401	1.0
72.99317	4.3
75.00880	42.8
87.29998	0.5
89.02451	7.8
93.03457	3.9
106.82112	0.5
111.31681	0.5
117.01939	2.8
119.05031	19.8
120.05353	0.4
132.05754	0.5
133.03003	0.5
134.69662	0.5
135.03008	100.0
143.05070	3.5
145.06625	0.5
163.04025	13.0
211.07677	1.1
215.33940	0.5
223.07703	0.4
237.09265	2.4
239.10815	0.6
265.08841	3.6
283.09705	1.1
309.07632	1.8
327.08835	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	445.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54510	0.3
59.01379	7.0
59.01608	0.4
67.90916	0.4
71.01379	4.1
72.99303	5.1
73.02950	1.0
75.00870	47.8
76.02522	0.5
87.00891	0.6
89.02451	9.3
92.10084	1.0
93.03447	1.5
101.02448	2.4
113.02456	0.6
117.01963	3.4
119.05033	10.6
121.02147	0.7
121.02965	13.4
133.03024	0.4
135.03003	100.0
135.04462	5.6
138.68303	0.5
143.05051	1.9
163.04042	7.0
166.55692	0.4
211.07681	0.7
237.09113	0.7
265.08759	2.2
283.09778	0.6
327.08789	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	445.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49146	0.4
54.00037	0.4
54.69995	0.4
57.03467	0.5
57.43386	0.4
59.01387	33.8
65.90121	0.4
71.01385	8.8
71.55619	0.4
72.99310	5.2
73.02969	0.8
74.69524	0.5
75.00873	49.7
79.03938	0.5
84.12912	0.4
85.02952	1.1
87.00890	1.0
89.02446	14.0
92.10131	0.5
93.03465	7.0
101.02433	3.1
106.04266	0.7
108.02174	0.7
113.02468	2.1
117.01958	2.3
119.02753	0.6
119.03557	3.2
119.05026	26.0
121.02987	1.2
128.09457	0.6
131.05072	0.5
132.05881	0.6
132.39417	0.5
135.03012	100.0
137.09726	1.0
143.05063	2.8
145.06624	3.9
161.79393	0.5
163.04025	12.2
179.05621	0.7
205.12401	2.7
210.06847	0.9
211.07703	15.0
223.07683	2.2
235.07727	0.7
237.09177	7.3
239.10721	1.1
253.08846	1.1
265.08725	2.7
267.17841	0.7
274.46237	0.6
283.09824	7.0
327.08792	33.4
364.52002	0.6
385.18817	1.2
396.91525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99783	0.3
59.01397	3.4
61.98839	90.2
70.25748	0.3
71.01389	0.5
92.10795	0.8
106.04256	0.3
123.04552	0.6
131.04999	0.7
132.05850	0.8
133.06609	100.0
163.84471	0.3
337.13101	0.5
339.32803	0.4
340.30862	0.4
383.72318	0.4
462.02148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96328	4.0
59.01384	17.4
61.98849	28.4
65.91437	3.6
71.57619	4.1
90.81243	3.6
93.03436	6.0
121.02948	100.0
146.74226	4.1
156.46280	3.9
177.03032	9.5
295.84033	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	444.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30199	1.1
57.03802	1.0
59.01390	1.6
61.98838	100.0
82.67023	1.0
88.99911	1.1
101.07935	1.1
106.22117	1.4
175.18095	1.2
189.48877	1.2
295.65524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.4
59.01387	25.7
61.98838	4.4
65.32736	0.5
70.98498	0.4
71.01383	7.4
72.99309	0.8
73.42586	0.5
75.00868	6.5
83.01413	0.5
85.02963	2.9
86.49158	0.5
87.00898	0.9
89.02445	5.9
93.03446	4.5
95.01358	0.7
96.96012	0.8
101.02457	3.2
106.04263	6.2
107.05039	79.7
108.02132	0.6
111.00957	1.1
113.02458	2.9
119.03571	0.6
119.05034	4.1
121.02964	100.0
122.03329	0.8
123.04565	0.7
131.05045	0.7
131.45982	0.5
133.06621	0.8
135.03015	14.7
135.04572	3.4
137.02454	0.7
143.05063	1.0
149.06105	0.6
153.09229	3.0
161.04568	3.3
161.06058	1.0
163.04013	2.4
163.11400	0.5
177.04056	0.5
179.03494	0.9
179.05693	0.5
181.12309	0.7
182.24081	0.5
193.45169	0.5
202.23190	0.5
205.12340	6.2
209.11909	2.1
211.07693	7.5
223.13361	2.0
265.08835	0.6
271.02335	0.7
282.75766	0.5
327.08835	2.5
327.73157	0.6
329.12332	0.8
371.66946	0.6
385.18796	0.6
389.85431	0.5
445.11475	11.2
445.16855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36697	1.2
54.82908	1.4
57.88646	1.2
59.05269	1.2
61.98842	2.7
65.03942	1.3
80.03543	1.4
104.90948	1.4
111.66840	1.6
125.06084	6.7
129.05444	1.6
134.48880	1.8
138.22380	1.4
151.04027	9.4
166.02797	2.5
179.03653	1.8
180.04286	3.6
189.95757	1.4
207.06735	2.4
217.08690	2.2
221.08246	10.2
222.09013	2.6
235.09795	85.2
235.29526	1.5
236.10564	13.7
238.53171	1.8
247.09772	12.4
249.11372	7.6
261.11221	3.7
301.14709	2.8
357.20535	1.5
374.21210	1.7
376.60443	1.6
443.11288	1.7
443.28125	100.0
444.28229	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	443.3175
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
51.79939	1.4
53.28783	1.8
55.98157	1.5
57.23176	1.4
59.01387	4.4
59.46274	1.4
61.68181	1.7
61.98838	2.9
64.25307	1.7
75.28259	1.6
82.28082	1.8
101.16901	1.7
131.16010	1.8
218.48235	2.1
264.00021	2.0
399.32767	18.1
422.23895	2.4
443.25537	3.4
443.31778	100.0
443.37164	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	443.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
68.93011	0.3
72.14539	0.3
77.07189	0.4
77.73306	0.4
81.48963	0.3
91.03992	0.8
97.93893	0.4
106.35312	0.4
111.08156	0.5
123.16160	0.4
154.84119	0.4
159.86383	0.4
197.11861	4.0
225.15088	0.7
246.62659	0.4
257.41830	0.4
273.18768	0.5
277.68570	0.4
291.19754	3.3
305.05017	0.4
309.17566	0.5
309.20813	7.6
320.32980	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05321	0.4
58.81360	0.5
59.01394	100.0
61.98861	0.8
66.84888	0.4
71.50936	0.6
81.97289	0.5
89.02467	0.6
91.04041	2.0
111.08176	1.0
121.02980	0.9
152.38748	0.5
197.11865	5.7
291.19778	4.2
309.20718	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.4
60.10887	1.7
67.05460	1.7
68.86761	1.9
92.72538	1.7
123.04621	2.2
125.06133	10.0
137.87596	2.0
148.74722	2.2
151.04019	8.9
160.84299	3.4
180.04257	10.1
187.79091	2.3
214.16544	2.3
215.25095	2.4
217.08925	3.0
221.08209	9.3
235.09778	100.0
236.10521	16.2
249.11456	8.0
279.40189	2.2
338.86450	2.3
443.28146	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1929
Annotation	3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE
Peak:m/z	Relative Intensity
52.76011	0.6
55.01889	4.7
57.03465	1.3
58.00603	1.0
59.01387	58.5
60.99315	0.7
69.01856	0.6
71.01382	26.9
72.99328	1.2
73.02964	4.6
81.97324	0.7
83.01400	4.1
85.02952	13.4
85.03394	0.8
87.00884	0.8
88.98817	2.6
89.02449	17.1
92.10812	1.4
93.03444	0.9
95.01412	2.7
99.00905	1.2
101.02444	18.2
111.04515	1.1
113.02454	11.0
119.03526	5.6
119.05015	12.3
154.96725	0.6
163.04051	5.4
173.04575	1.4
189.12781	1.5
191.05740	0.9
233.53563	0.7
237.14992	1.1
275.95703	0.6
344.51169	0.7
353.08994	1.1
375.31836	0.8
400.52167	0.8
443.19339	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	443.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31262	0.6
54.63467	0.6
56.43423	0.7
60.40883	0.7
61.98845	0.8
64.34306	0.7
66.50326	0.9
74.92826	0.7
77.96685	0.9
83.88653	0.8
115.07369	0.7
148.20715	0.9
159.08464	5.0
161.06381	1.3
217.07327	1.5
275.06119	0.9
277.07532	4.5
297.80756	1.1
303.48761	1.0
345.13672	1.0
357.14008	1.8
359.15454	100.0
360.15610	1.9
412.65149	1.0
427.21652	47.2
443.24902	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	443.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96057	0.9
53.77946	1.0
57.03448	2.1
59.01387	100.0
71.01379	51.2
72.99328	5.2
73.02943	25.3
75.00877	5.0
76.35182	1.2
78.48314	1.2
78.95904	53.0
79.95766	1.3
83.01416	11.4
85.02944	13.3
87.00878	18.8
87.90261	1.6
88.98804	4.7
89.02444	53.4
93.03470	2.0
95.01423	3.0
96.96018	95.2
96.96973	95.7
97.02937	1.9
99.00890	2.9
101.02440	38.4
111.00919	2.0
112.98799	1.6
113.02457	28.7
115.00357	2.2
116.92853	5.3
117.01968	11.6
119.03510	19.9
119.05032	7.3
121.02973	2.2
129.01945	2.8
133.01414	7.2
135.04498	2.4
135.15665	1.4
137.63052	1.3
143.03528	6.6
147.03046	2.0
147.06503	1.4
149.04536	1.9
161.04565	6.7
163.04037	5.3
165.04044	5.3
166.47343	1.3
175.07664	1.3
177.04044	1.9
179.05658	11.7
191.05641	7.7
221.06699	1.6
237.22734	1.2
272.70007	1.2
323.10013	11.4
341.10965	35.9
383.12021	44.6
443.13989	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	443.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	8.0
70.47156	0.4
71.01382	1.5
75.00880	0.4
82.95422	0.4
85.02985	0.7
87.00919	0.4
89.02469	1.3
92.10130	1.2
93.03429	2.7
101.02447	0.6
105.03501	0.7
113.02478	0.6
119.05042	0.9
121.02959	6.2
123.04535	2.0
129.53366	0.4
133.02960	3.6
135.03008	0.4
137.02425	0.5
149.02449	2.7
163.03966	0.5
173.04587	0.6
177.01947	100.0
178.02351	0.4
191.05637	0.8
203.14563	0.5
209.85687	0.4
221.15485	0.6
327.22012	0.8
376.48929	0.5
447.80295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36312	0.2
56.86479	0.3
59.01381	0.5
61.18825	0.3
71.01398	0.7
74.54604	0.3
75.00877	2.2
76.73637	0.3
92.10234	0.5
116.15663	0.3
119.05034	100.0
135.03020	1.8
141.72684	0.3
146.63109	0.3
163.04034	68.8
164.04356	0.4
325.09344	5.1
343.25876	0.4
443.12015	8.6
443.17758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.3
71.01392	1.6
73.02973	0.4
75.00883	1.5
85.03000	0.3
88.98821	1.1
89.02478	0.4
92.10664	0.3
92.15551	0.2
93.03461	1.0
94.98171	0.3
96.96010	1.1
101.02472	0.3
109.02973	0.4
115.00385	0.3
116.54500	0.2
116.92903	0.4
119.05035	100.0
120.05382	0.3
131.03093	0.2
133.06561	0.3
135.02966	1.8
142.89601	0.3
149.00688	0.2
163.04030	69.0
191.05650	1.3
205.05028	0.4
260.47238	0.3
281.06650	0.6
297.08408	0.6
325.09290	4.0
325.12173	0.2
357.09848	0.3
433.00797	0.3
443.12119	7.5
443.17801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3382
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
58.01664	3.8
61.66666	3.3
66.74855	3.1
74.86735	3.2
95.96355	3.4
104.06734	4.2
119.99644	3.4
189.12900	14.5
191.14400	17.7
423.32590	17.7
439.32349	6.5
441.33832	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	441.3381
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
51.43182	1.0
52.18011	0.9
52.86434	1.0
58.34304	1.2
76.57372	1.0
98.10076	1.0
99.01275	0.9
99.90265	1.0
107.46437	1.1
109.11671	1.0
112.75335	1.1
114.54479	1.0
165.44366	1.0
337.32159	1.1
441.33829	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	443.084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78692	0.5
59.01397	2.7
60.99313	18.5
66.88337	0.6
68.64762	0.5
71.01398	0.9
85.02960	5.1
87.00898	1.3
88.98811	100.0
93.03474	1.0
96.96024	1.1
119.05030	3.3
127.03994	0.8
133.03009	0.7
135.04543	0.8
158.14323	0.5
159.35359	0.6
163.04022	2.9
173.04581	0.9
191.05649	79.6
273.02792	0.6
273.94244	0.7
293.68594	0.6
298.25003	0.6
353.08804	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	443.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44802	0.1
53.72862	0.1
57.03477	0.2
59.01392	2.4
61.98846	0.2
63.62550	0.2
71.01409	0.3
71.75449	0.1
73.24181	0.1
73.25318	0.2
76.46953	0.1
76.94017	0.2
81.03460	0.7
82.95438	0.2
83.33926	0.2
85.02982	0.2
89.03973	3.4
92.10063	0.2
93.03487	0.3
95.05027	0.3
96.96033	0.2
104.02693	0.3
105.03465	4.7
119.05084	0.3
121.02965	4.3
133.02962	13.3
148.01625	0.3
149.02510	1.2
176.01176	1.3
177.01949	100.0
178.02290	0.4
191.05531	0.3
443.09937	5.9
443.23132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	4.1
65.76662	0.8
80.28806	0.8
81.11774	0.8
83.63731	0.8
101.02461	3.3
101.38438	0.8
101.43118	0.8
163.06213	3.4
195.33673	0.8
277.21759	100.0
295.98428	1.2
372.18130	1.0
441.30414	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	441.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70982	2.1
56.47814	1.8
59.01399	100.0
67.97150	2.0
90.52979	2.5
97.06561	4.8
100.68245	2.2
102.39848	2.5
121.03017	2.0
125.09728	39.6
135.85378	2.1
137.62587	2.2
187.09727	12.6
254.45691	2.6
271.22882	10.9
355.00842	2.2
355.73706	2.2
441.32251	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	441.3378
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
51.21709	1.0
51.74780	1.0
51.78378	1.0
65.51099	1.1
110.98878	1.3
134.12564	1.2
149.09874	1.2
162.00969	1.3
440.52280	1.3
441.33841	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	441.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
71.01380	16.1
71.31376	1.2
73.02951	17.1
83.01408	1.3
85.02969	2.3
89.02473	6.4
93.03461	56.0
94.03831	2.4
101.02459	14.0
107.61088	1.0
113.02489	5.9
121.02974	5.3
137.02455	84.7
138.02846	2.7
143.01875	1.1
149.02429	1.4
151.03984	2.5
173.04617	2.6
179.03539	4.6
191.05673	1.3
194.95673	1.2
205.44963	1.3
255.35519	1.1
269.84125	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33194	0.6
59.01389	100.0
60.04370	0.8
61.01809	0.6
61.98833	6.7
64.08721	0.7
71.01386	27.9
73.02950	39.2
83.01401	9.4
85.02973	4.2
89.02456	7.4
93.03447	0.8
93.79720	0.7
95.01342	0.8
97.02970	1.3
97.83822	0.8
98.76471	0.8
101.02447	21.1
106.63939	0.7
113.02471	8.9
119.03481	1.4
121.02982	1.8
128.35970	0.7
131.03549	1.6
139.69762	0.8
161.04521	0.9
173.04568	1.4
207.86212	0.8
213.47733	0.8
233.02888	0.8
306.51776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1902
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
59.01397	21.8
60.99309	5.2
71.01384	15.0
74.93391	3.3
85.02968	6.5
88.98811	19.4
93.03463	8.1
96.96017	41.5
119.05011	65.4
133.02962	28.9
135.04539	6.0
163.04051	58.0
173.04578	8.0
177.02087	5.7
191.05688	26.9
199.70462	4.0
215.05643	7.2
216.02612	3.6
325.09442	4.8
351.07275	20.5
420.38873	3.8
441.19162	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	441.1902
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
61.22969	10.4
66.73969	9.5
73.81842	9.9
133.37404	11.5
212.00302	10.1
216.40262	10.8
223.20723	9.8
236.34444	12.5
340.42694	10.8
386.95529	12.7
426.43878	11.9
437.31525	11.9
441.19165	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	441.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91475	0.5
59.01387	100.0
59.64124	0.5
74.46862	0.7
79.64185	0.6
123.81886	0.6
126.82877	0.6
192.75266	0.7
226.06001	0.6
289.18045	2.6
307.19220	2.7
348.74344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1903
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
55.20127	7.0
59.01405	34.9
71.01387	18.4
88.98811	16.2
89.02479	8.6
93.03465	12.8
96.96011	10.0
98.36977	9.1
101.02431	18.4
116.92887	9.4
133.03006	12.9
134.89404	10.1
135.04533	9.2
191.05623	38.0
196.94716	8.8
223.06050	11.7
309.42114	9.9
351.07355	14.1
381.21616	13.8
441.19019	100.0
466.39606	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	441.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.77345	5.0
61.98835	52.6
68.01031	5.4
71.01398	9.6
71.18129	6.2
76.27348	5.8
86.42870	5.5
92.66019	6.0
93.03484	24.1
119.05038	7.0
121.02967	59.9
128.98836	5.6
134.72034	6.1
137.02449	9.8
173.04543	30.0
267.21585	6.9
295.13922	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
59.01387	13.0
60.42176	0.7
61.98835	3.0
71.01389	7.9
73.02946	3.2
74.62011	0.7
75.00874	0.8
79.17619	0.7
81.03447	1.2
85.02953	6.7
87.00903	1.1
89.02439	4.0
92.10741	1.4
93.03458	4.4
95.01386	1.3
96.95992	3.0
99.08224	1.2
101.02452	5.0
108.02187	100.0
109.02966	67.7
113.02449	3.0
113.06090	1.4
116.90218	0.7
117.03401	1.4
121.02950	7.2
123.00891	1.6
123.04533	0.9
125.06129	0.9
128.57285	0.8
132.02147	0.9
133.02975	1.0
134.03728	3.8
135.04520	4.2
137.02478	0.8
143.03339	0.7
143.07141	5.8
145.02966	4.6
147.04613	1.0
151.03993	1.2
152.01172	73.5
153.01965	29.5
160.01682	8.6
161.02351	1.0
161.04701	1.1
163.03981	1.8
173.04581	1.5
175.04001	6.3
179.03526	1.2
191.05609	5.0
191.07129	0.8
193.05026	1.6
235.06110	1.1
245.49538	0.9
265.07074	1.1
295.08194	1.4
315.07285	1.3
381.12033	1.0
431.24646	1.0
441.14001	77.5
453.12909	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.12
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09946	0.8
59.01389	2.1
61.63677	1.2
63.41151	0.9
65.03990	1.1
67.01913	1.6
70.14530	0.8
71.01405	1.8
77.20586	0.8
83.05014	1.1
90.91254	0.9
93.02859	2.2
93.03458	68.7
103.86568	1.0
111.00880	1.1
111.04524	6.6
117.03479	5.2
119.05031	17.8
121.02964	70.8
137.02449	46.6
145.02960	24.4
155.03560	8.1
163.04022	11.4
173.04570	100.0
215.90718	1.2
284.59790	1.2
295.08267	37.0
298.48865	1.1
319.08301	17.3
328.44003	1.1
393.17078	1.1
405.12103	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18812	0.5
53.40526	0.6
55.34203	0.6
59.01390	34.4
59.68790	0.7
61.98848	0.6
65.89735	0.9
67.01904	1.6
71.01386	5.9
72.06326	0.6
74.32977	0.6
76.15599	0.6
85.02982	1.2
87.00874	1.0
93.03469	26.3
101.02481	0.8
111.00953	0.8
111.04551	5.4
111.10899	0.6
119.05007	1.1
121.02959	26.0
137.02440	6.8
145.02962	2.8
155.03496	3.8
173.04567	100.0
191.05562	1.3
295.08282	33.0
319.08499	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82540	0.3
59.01390	1.9
79.30785	0.2
79.81062	0.2
83.05057	1.4
89.00897	0.2
93.03452	3.2
107.34975	0.3
111.04503	2.3
117.03453	1.4
118.91280	0.3
119.05037	4.3
121.02956	100.0
128.74559	0.2
134.47540	0.2
137.02437	0.3
145.02971	8.2
152.51448	0.2
155.03519	2.2
163.04034	2.9
173.04553	8.6
191.05551	0.3
232.72589	0.2
232.74963	0.3
295.04916	0.6
295.08264	18.8
319.08286	7.1
338.19763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04467	0.3
51.79330	0.3
52.38988	0.3
55.01885	0.4
59.01394	1.9
65.35735	0.3
68.99835	0.5
70.14623	0.3
71.01389	1.3
71.76889	0.3
72.36429	0.3
77.57435	0.3
83.01416	0.3
85.02946	2.3
87.00871	0.3
89.02457	0.5
93.03468	0.4
95.01394	0.7
95.25878	0.3
99.00903	2.1
101.02458	0.5
108.02207	0.3
109.02942	0.5
111.00922	0.4
113.02498	1.6
113.99598	3.1
115.00384	1.5
116.94537	0.3
121.02965	100.0
122.03303	0.5
129.01939	0.5
135.04503	0.6
137.33261	0.3
139.00389	0.4
157.01433	1.7
157.52074	0.3
191.05693	1.2
277.05609	1.8
301.06027	0.5
319.06821	0.6
320.21021	0.3
441.10461	30.1
442.10739	0.4
459.20490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83211	5.9
59.01386	100.0
61.34423	5.0
68.05241	5.7
71.01384	71.9
73.02966	15.6
81.04609	8.6
85.02968	14.3
89.02453	59.2
94.17912	6.3
95.01399	8.2
96.96018	34.5
101.02460	38.8
107.42612	5.5
113.02467	13.8
113.03544	6.0
116.92905	6.0
119.03525	24.3
120.54426	5.8
125.37502	7.5
133.02921	8.8
137.02495	8.0
149.02470	7.0
150.15935	6.9
161.04549	9.9
177.01929	67.7
179.05630	10.2
191.05667	14.2
192.04327	24.5
243.07884	7.2
281.29413	6.2
351.07074	8.4
381.17905	6.9
387.13031	37.7
441.16321	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	440.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28739	0.2
55.01886	0.5
59.01389	2.3
61.98843	1.5
71.01382	3.5
72.16716	0.2
73.02962	1.2
77.07174	0.2
83.01392	0.3
85.02947	2.1
92.10167	0.3
93.03453	0.7
99.00902	0.3
101.02449	1.8
107.38453	0.3
113.02487	1.3
117.03472	33.3
119.05029	9.0
121.02944	0.6
121.55946	0.3
131.03748	0.5
133.02937	0.5
134.03784	0.4
135.04567	0.7
136.04771	0.3
145.02969	100.0
146.03317	0.4
159.02937	0.4
161.02454	1.0
161.04570	1.5
162.02795	0.7
163.04034	7.3
241.13103	0.3
243.06654	1.0
259.30295	0.3
307.08289	5.5
323.79755	0.3
397.02795	0.3
440.13638	20.6
441.13629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42800	0.8
55.01900	1.5
58.50877	0.9
59.01394	1.5
61.86083	1.0
66.72734	0.8
68.99822	1.8
69.03457	1.2
71.01397	2.5
73.02942	1.2
76.57872	1.0
76.81147	1.1
77.45483	0.9
83.01378	1.0
85.02975	5.6
87.00879	1.8
92.10627	1.0
99.00889	1.6
101.02466	1.6
111.92077	1.0
113.02461	2.1
113.99599	18.7
115.00382	10.7
121.02958	50.8
127.00339	1.8
127.22990	1.1
174.01703	16.7
259.04852	2.1
381.08273	10.6
441.10492	100.0
458.71005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47947	4.7
70.54353	4.5
79.62821	6.0
82.81979	5.6
92.30530	5.0
95.05010	21.4
99.92581	44.0
115.92097	98.2
116.92868	100.0
125.21512	5.0
138.92635	5.8
139.04022	77.5
149.55818	6.0
154.72572	5.6
178.16644	5.7
409.20605	8.3
439.21609	35.3
459.53607	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	439.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30847	46.0
59.01393	100.0
61.98855	53.0
63.97270	41.7
67.58252	41.9
85.06219	45.2
120.60719	48.1
188.36603	58.0
305.25250	50.9
415.35867	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04393	0.4
60.81873	0.4
62.88057	0.4
63.96246	0.4
79.66869	0.4
79.97975	0.4
126.26035	0.4
145.10583	100.0
146.10854	0.7
164.03049	2.3
165.03725	0.9
196.02007	2.4
206.93228	0.5
271.21893	0.4
275.14658	0.4
277.16342	1.9
295.17328	1.0
310.16040	3.5
329.06238	0.4
343.88107	0.5
439.27228	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	440.076
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76863	0.4
59.01377	3.4
61.98838	3.4
66.19022	0.5
71.01364	0.5
87.86137	0.4
95.64175	0.4
102.09000	0.4
102.29054	0.5
108.02188	11.8
121.02958	0.8
138.01981	100.0
139.62126	0.4
148.73906	0.5
179.03586	0.5
254.09158	0.8
282.80707	0.4
315.57889	0.5
414.91913	0.5
440.08176	0.5
440.14566	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72740	1.0
54.82944	1.1
55.01899	1.2
57.23409	1.0
58.00608	1.2
58.50303	1.0
59.01389	96.6
62.38566	1.0
68.62609	0.9
71.01385	56.9
73.02946	20.4
81.89571	1.1
83.01404	4.9
85.02960	14.4
87.00912	1.8
88.98823	7.7
89.02445	95.1
95.01383	2.2
99.00871	21.6
101.02447	37.0
103.97954	1.2
113.02464	16.8
115.04066	1.2
115.90827	1.1
117.72855	1.3
119.03510	17.4
125.02456	2.2
131.03487	11.8
143.03534	1.1
149.04582	25.3
161.04544	5.5
179.05621	2.6
182.94756	1.1
191.05643	15.0
221.06645	1.6
247.11913	2.7
247.58192	1.3
251.07657	2.2
379.16196	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	439.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.6
55.05139	1.5
57.03453	2.1
58.78547	1.5
59.01388	100.0
61.46197	1.5
68.12756	1.7
71.01381	53.9
71.01729	3.1
72.99323	3.0
73.02956	9.1
76.57903	1.9
83.01382	3.2
85.02964	14.3
87.00876	4.1
89.02446	65.0
92.10168	2.8
101.02438	35.4
113.02463	19.0
119.03541	18.6
121.02957	3.2
131.03499	8.4
143.03511	6.9
149.04555	18.5
150.03328	6.6
161.04547	7.5
163.03790	2.3
165.01849	7.2
165.05591	3.3
179.05609	15.9
180.04295	3.2
189.01993	2.6
191.05630	11.0
195.06624	4.4
247.11865	33.3
379.16125	53.8
379.20746	2.1
398.47293	1.9
449.72699	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	439.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69107	0.2
50.89751	0.2
54.03430	0.2
54.24381	0.2
54.24632	0.2
56.92625	0.2
76.53503	0.2
78.95914	46.4
80.57948	0.3
96.96969	100.0
112.70886	0.2
178.66415	0.2
198.90536	0.3
288.27393	0.2
439.08801	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	439.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
72.18497	0.3
78.95905	39.4
79.95752	0.9
96.87408	0.4
96.96026	100.0
96.96976	78.8
166.88606	0.3
180.80479	0.4
439.08493	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45219	0.2
54.82499	0.3
59.01385	5.0
61.98845	1.2
65.03977	0.5
71.01416	0.4
78.95918	0.3
80.62675	0.3
81.03462	0.4
82.27808	0.3
83.05057	1.5
87.41249	0.3
89.02396	0.3
89.03929	0.4
93.03456	14.3
96.96031	1.7
106.04273	0.3
107.05046	1.5
108.02174	0.4
109.02966	0.6
111.04529	3.8
117.03457	1.2
119.05063	1.5
121.02953	3.0
133.02974	7.1
134.03748	6.7
135.04536	100.0
137.02457	5.5
147.04550	0.4
155.03549	3.1
161.02466	17.9
178.02791	0.6
179.03520	41.2
185.06149	0.6
185.40779	0.3
193.06613	1.2
209.06067	2.5
211.07709	9.6
228.06720	0.5
233.26775	0.3
255.06671	7.1
273.07648	0.7
317.06747	1.5
392.08963	0.4
439.14301	2.0
458.48578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69932	0.5
51.54614	0.5
55.47959	0.6
57.03461	1.3
59.01383	26.3
66.23025	0.5
71.01382	12.2
71.01720	0.6
72.99327	1.0
73.02966	1.6
83.01401	0.8
85.02974	4.2
89.02459	2.9
92.10786	1.0
93.03477	1.7
96.96044	4.2
99.00895	0.9
101.02447	4.8
101.78584	0.7
105.03477	0.7
107.05087	0.9
108.02209	0.8
109.03009	0.9
111.04546	0.9
113.02461	1.4
121.02955	100.0
127.07633	1.3
129.02010	1.1
135.04529	74.4
137.02510	0.8
155.07230	3.0
161.02490	1.0
163.04016	7.1
173.08183	7.3
177.01924	6.8
185.92361	0.7
187.07750	1.1
191.05682	1.6
315.07376	1.6
317.12680	3.0
379.23535	5.1
439.16385	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35013	1.9
57.06291	2.1
59.01386	45.1
61.98865	3.0
63.58638	2.2
65.73663	2.1
68.75237	2.1
71.01379	30.2
72.65476	2.3
72.96039	2.1
72.99355	2.3
73.02962	5.1
79.97174	2.0
85.02967	13.6
88.98821	10.2
89.02460	23.4
93.03448	4.8
96.96011	4.4
101.02451	20.9
109.02958	3.4
113.02460	14.8
113.35822	2.3
119.03476	4.6
121.02943	4.4
122.03748	10.4
132.09938	2.3
133.03006	2.5
134.22002	2.3
137.02429	4.3
149.02457	35.3
150.03252	82.5
159.10298	2.8
161.02432	5.5
161.04539	3.9
164.04825	12.5
165.01926	37.1
165.05583	65.9
173.04527	4.3
179.05669	3.9
180.04309	39.1
183.55135	2.2
187.47899	2.9
191.05586	30.6
195.06656	100.0
215.12033	2.4
217.14439	3.0
233.06689	4.1
243.08632	2.7
331.11896	9.3
379.19958	28.5
391.13980	17.4
439.08826	4.8
439.11801	2.4
439.17590	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69223	0.3
61.41176	0.2
78.95904	26.6
79.95752	0.6
83.46768	0.3
89.01271	0.3
92.10811	0.6
96.96021	100.0
96.96968	48.7
128.10339	0.4
134.29210	0.3
188.97484	0.3
228.10513	0.3
401.50427	0.4
404.03558	0.3
439.08865	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56615	0.2
59.01398	2.1
60.78679	0.2
61.79517	0.2
65.03970	0.4
69.28130	0.2
71.01408	0.2
84.80690	0.2
93.03461	66.5
104.54333	0.2
107.05018	0.5
115.56379	0.2
121.02962	3.9
135.04549	0.9
137.02452	100.0
138.02774	0.4
149.02313	0.2
151.04028	5.5
179.03508	4.6
184.44145	0.2
336.37012	0.2
403.10684	0.2
448.40472	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25603	0.1
57.90187	0.1
59.01387	11.9
61.98837	100.0
63.11625	0.1
65.54022	0.1
71.01374	1.5
73.02958	0.6
83.01389	0.1
85.02950	0.7
87.00864	0.2
88.98840	0.2
89.02446	0.2
93.03447	0.3
99.00848	0.2
100.33933	0.1
101.02455	1.4
107.05002	0.1
112.56213	0.2
113.02446	0.7
119.05032	0.2
133.06589	0.3
145.02910	0.2
158.86244	0.1
161.04533	0.2
167.45984	0.1
188.34140	0.1
243.10252	0.2
284.03186	0.2
289.16632	1.6
343.08563	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82497	0.2
57.87758	0.2
59.01386	10.2
61.98836	100.0
66.47580	0.1
71.01373	1.0
73.02944	0.4
75.60523	0.2
83.01390	0.2
85.02955	0.4
92.10853	0.2
98.71806	0.2
101.02453	1.1
113.02428	0.3
114.86825	0.2
119.04977	0.2
133.06601	0.6
147.46912	0.2
157.83624	0.2
161.04536	0.3
273.15427	0.2
284.03525	0.2
285.03772	0.2
289.16580	1.9
303.56815	0.3
384.34802	0.2
436.08783	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15946	0.4
57.03468	3.5
59.01391	8.0
61.98840	4.9
64.66101	0.5
71.01373	4.8
73.02951	0.5
75.00873	0.7
83.01407	0.5
84.04575	1.1
85.02961	1.9
87.00906	2.0
89.02466	0.8
92.10182	0.7
93.03410	0.6
94.03010	0.6
97.50154	0.5
99.04523	1.9
101.02460	1.1
110.02488	0.8
110.10741	0.4
112.04054	100.0
113.02460	0.9
114.38955	0.6
119.05050	0.9
121.02959	69.7
122.03300	0.7
124.19991	0.6
125.02461	2.2
129.34052	0.6
132.02165	0.9
132.34137	0.5
135.03020	1.0
135.03377	0.7
135.04532	27.3
136.04053	30.0
147.04503	0.6
154.05171	0.8
160.01674	2.5
161.04536	1.0
163.04013	3.3
175.04044	1.3
176.91704	0.5
191.05597	0.8
255.02773	0.6
344.96313	0.6
373.49106	0.5
411.12698	0.5
439.16705	0.6
442.80835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.6
57.01317	1.9
57.03456	76.6
59.01109	4.2
59.01389	92.6
71.01390	26.4
72.99334	2.3
73.02939	8.4
81.03484	3.0
83.01384	2.6
85.02955	13.1
89.02437	2.5
99.04519	67.2
101.02442	19.2
112.04057	48.3
113.02454	12.8
121.02962	100.0
125.02451	55.2
132.72244	2.0
135.04517	23.7
136.04048	9.6
143.03549	3.0
147.04543	34.5
158.06114	4.2
159.03035	3.5
161.04593	27.5
161.05779	3.4
163.04076	2.9
188.05597	3.1
189.05560	3.2
191.05583	2.7
276.08868	3.1
336.10980	2.5
411.13083	26.7
438.10260	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	437.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72090	0.4
55.01888	3.2
57.03455	2.4
58.00608	0.5
59.01391	26.4
59.01698	0.8
60.99303	0.5
67.01894	0.5
67.05454	0.4
69.03467	0.6
71.01395	15.3
71.05030	2.9
72.14232	0.4
72.99332	2.8
73.02955	5.9
75.00884	1.8
83.01420	4.0
85.02967	10.1
86.00127	0.7
87.00902	2.5
87.04559	0.9
88.98831	2.8
89.02466	2.8
93.03452	3.4
95.01429	0.7
97.02956	0.7
99.00904	2.1
99.04485	0.4
101.02447	12.4
101.06090	0.6
107.05024	0.4
109.03008	0.8
109.17901	0.4
111.00928	2.1
111.04531	0.7
113.02460	4.4
117.02005	0.4
119.03514	0.6
119.05023	0.8
121.02958	8.1
125.02464	0.7
125.09724	0.8
127.04206	0.4
127.11278	1.7
134.03758	0.5
135.03029	0.5
135.04535	5.4
137.02458	0.4
151.00465	0.5
155.10806	2.6
157.12364	5.2
160.01674	1.8
161.04578	0.8
173.04590	0.6
175.04027	3.3
176.04004	0.8
177.04103	0.5
179.03496	2.3
179.33856	0.4
191.05615	9.2
201.14920	0.4
229.18028	0.9
237.07803	0.4
257.17587	1.8
275.18729	6.3
348.11392	0.5
359.14148	0.6
377.21988	0.6
399.13150	2.4
401.14038	0.5
401.21927	0.5
419.22958	13.6
437.23984	100.0
438.24228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70718	5.4
59.01386	100.0
62.85282	5.1
65.84799	5.2
92.65346	6.0
101.06094	27.0
104.04665	7.1
121.02969	6.7
138.51785	6.6
166.05305	6.3
197.00130	6.7
211.07547	6.6
219.25153	7.7
450.80603	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72090	0.4
55.01888	3.2
57.03455	2.4
58.00608	0.5
59.01391	26.4
59.01698	0.8
60.99303	0.5
67.01894	0.5
67.05454	0.4
69.03467	0.6
71.01395	15.3
71.05030	2.9
72.14232	0.4
72.99332	2.8
73.02955	5.9
75.00884	1.8
83.01420	4.0
85.02967	10.1
86.00127	0.7
87.00902	2.5
87.04559	0.9
88.98831	2.8
89.02466	2.8
93.03452	3.4
95.01429	0.7
97.02956	0.7
99.00904	2.1
99.04485	0.4
101.02447	12.4
101.06090	0.6
107.05024	0.4
109.03008	0.8
109.17901	0.4
111.00928	2.1
111.04531	0.7
113.02460	4.4
117.02005	0.4
119.03514	0.6
119.05023	0.8
121.02958	8.1
125.02464	0.7
125.09724	0.8
127.04206	0.4
127.11278	1.7
134.03758	0.5
135.03029	0.5
135.04535	5.4
137.02458	0.4
151.00465	0.5
155.10806	2.6
157.12364	5.2
160.01674	1.8
161.04578	0.8
173.04590	0.6
175.04027	3.3
176.04004	0.8
177.04103	0.5
179.03496	2.3
179.33856	0.4
191.05615	9.2
201.14920	0.4
229.18028	0.9
237.07803	0.4
257.17587	1.8
275.18729	6.3
348.11392	0.5
359.14148	0.6
377.21988	0.6
399.13150	2.4
401.14038	0.5
401.21927	0.5
419.22958	13.6
437.23984	100.0
438.24228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57685	5.4
54.51964	5.4
57.72517	5.6
59.01389	100.0
60.00710	5.3
68.24591	5.2
72.37762	5.4
93.03456	6.0
101.06096	14.7
101.85736	6.3
113.64481	6.5
121.32966	5.5
140.93349	6.0
179.45615	6.4
195.80928	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	437.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01310	2.5
58.00613	3.8
59.01389	85.6
61.98840	5.0
63.08120	2.9
71.01400	15.0
73.02951	17.3
83.00275	3.7
83.01393	3.2
89.02464	6.5
101.02453	12.6
113.02504	3.5
114.39222	4.4
119.05029	5.5
121.02977	14.7
125.09676	13.2
149.60710	3.6
154.78815	3.0
155.10774	5.0
201.11349	100.0
203.11813	3.9
225.30876	3.2
227.03387	4.7
255.03043	4.4
284.03296	4.4
285.03867	3.5
381.23651	3.4
399.23886	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	437.2317
Annotation	Isovouacapenol C
Peak:m/z	Relative Intensity
52.65698	16.2
54.99136	17.0
55.64108	18.1
59.01390	100.0
61.18230	20.9
79.20409	18.4
82.76514	17.5
92.10138	21.0
107.36249	21.0
119.05029	41.6
121.03003	42.8
137.30962	19.4
160.01622	33.8
163.04080	30.4
186.58871	21.1
437.23233	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1226
Annotation	Thonningin C
Peak:m/z	Relative Intensity
58.06944	4.9
59.01393	36.1
62.74499	4.6
71.01402	14.1
87.39007	6.3
91.60935	5.5
101.02451	8.2
104.68970	5.7
121.02956	100.0
135.04523	24.7
136.07693	12.7
137.06180	8.9
239.24294	5.5
248.80646	6.7
401.14807	24.5
437.12173	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48421	1.6
55.01888	2.6
57.79457	1.8
59.01391	29.6
64.34370	1.9
66.90873	2.2
71.01386	14.7
73.02967	3.6
80.70992	1.9
83.01418	2.3
85.02964	7.6
89.02425	4.3
90.24274	2.1
90.75759	2.1
92.10763	3.0
94.09444	1.9
101.02457	10.7
101.06063	2.5
109.02947	2.4
113.02477	2.1
121.02958	100.0
135.04507	18.4
157.12267	2.4
162.76044	2.0
191.05692	4.1
248.00070	2.3
275.18604	3.3
325.09259	5.2
401.14407	16.4
437.11127	10.8
437.24069	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12646	1.6
57.03463	2.7
58.02985	8.2
59.01387	51.7
59.01656	3.5
61.98842	9.2
71.01378	17.6
73.02974	3.7
73.04769	2.2
74.02493	9.5
75.00889	2.7
75.83313	1.8
82.95403	3.3
84.95105	2.6
85.02975	9.9
87.00873	3.3
88.98818	12.5
89.02439	14.7
89.12769	1.8
95.01392	2.8
96.96007	11.0
98.02510	2.0
98.95608	15.5
99.92593	15.9
100.93376	15.3
101.02457	12.7
104.62185	2.0
108.01358	2.1
109.02966	8.4
111.08158	4.3
113.02437	8.2
115.92081	100.0
116.92082	3.1
116.92873	57.1
119.03556	4.0
119.05027	33.1
121.02921	2.9
125.02473	2.6
127.07654	14.3
130.06645	2.5
133.00688	2.3
134.03767	2.6
138.03189	3.2
142.06621	12.0
142.94431	3.0
144.08197	10.7
145.02962	14.3
154.06676	2.3
157.07710	2.4
163.04013	22.2
167.69473	2.1
170.06238	2.9
172.07632	2.6
173.08147	3.6
177.04062	2.4
181.07785	2.3
182.06110	5.0
191.05649	19.1
198.05652	13.6
199.08817	10.5
200.07222	3.4
210.97038	10.3
213.10497	6.6
228.98131	19.7
234.97134	2.7
275.05551	2.3
291.08670	3.0
303.09894	41.1
316.46268	2.2
328.28122	2.1
375.01706	3.4
377.18411	15.0
399.86884	2.3
401.18747	3.0
407.00983	14.8
437.10385	4.2
437.16031	57.5
440.60745	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	436.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	5.2
61.98833	4.4
64.88381	0.4
66.88779	0.4
71.01391	2.4
73.02977	0.5
78.62509	0.4
85.02946	0.8
87.09563	0.5
92.10755	1.0
93.03453	0.7
113.02398	1.5
121.02969	3.3
125.02510	0.5
135.04573	0.5
145.03056	0.8
149.99663	0.5
161.04599	0.8
168.00624	0.7
173.04576	2.3
183.13873	4.8
211.13434	100.0
238.14523	2.4
253.14316	0.7
258.94589	0.5
373.18692	9.3
397.36545	0.5
422.45535	0.5
436.09900	0.8
436.17642	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	437.1226
Annotation	Thonningin C
Peak:m/z	Relative Intensity
51.42778	4.0
59.01391	11.4
71.01392	21.1
86.79429	4.5
87.49614	4.3
101.02447	25.6
113.02509	6.6
114.97188	4.7
119.08392	5.6
119.45459	5.1
134.84137	5.0
161.04532	8.6
177.25259	5.5
177.48494	5.5
179.32018	5.2
262.32855	5.3
267.94308	6.5
401.14621	100.0
437.12201	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1226
Annotation	Thonningin C
Peak:m/z	Relative Intensity
50.25827	35.3
64.34547	42.5
69.23673	43.9
95.01411	50.6
114.23891	46.4
121.31565	51.6
124.74342	43.9
128.00352	48.5
131.56816	55.2
133.23262	49.6
181.85892	58.7
188.57634	50.1
239.17563	59.4
245.09363	86.2
282.45010	59.8
324.85898	61.6
430.50491	59.2
437.12210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96020	0.2
59.01387	55.6
59.08651	0.3
59.67344	0.3
62.67453	0.3
66.17010	0.3
71.01382	2.8
73.02940	0.5
78.08303	0.3
80.42721	0.2
83.01401	0.3
85.02938	1.4
86.02569	0.3
88.98832	0.6
89.02451	0.7
93.03477	1.2
93.80503	0.3
95.01382	0.5
97.02987	0.4
98.26221	0.3
98.71976	0.3
101.02450	1.1
107.12449	0.3
113.02454	2.1
119.03491	0.4
123.00999	0.4
124.01660	1.3
125.02451	3.0
137.02451	1.4
138.02803	0.3
149.99620	1.7
161.02446	0.7
161.04605	0.5
168.00670	1.8
173.04588	1.1
183.13924	13.5
195.13928	10.6
213.15012	100.0
227.16565	0.6
237.14940	0.5
249.14957	0.4
255.16055	0.7
267.16064	0.3
268.27356	0.3
368.65921	0.4
435.09354	1.7
435.25967	1.1
435.85971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82943	0.5
59.01383	1.1
61.98836	8.6
69.03461	4.8
71.01404	1.0
81.03465	1.0
83.01406	2.9
85.02952	1.0
87.12414	0.6
92.10781	0.7
95.01396	3.1
97.02940	4.9
107.01364	4.6
108.02213	1.1
113.02427	0.7
121.02980	0.8
122.02490	18.6
123.00890	12.1
124.01662	36.5
125.02446	82.9
136.01666	1.0
137.02490	7.2
149.99599	55.4
151.00365	3.7
168.00653	84.2
169.01474	6.2
191.05608	3.0
225.56859	0.6
313.05801	5.0
355.48251	0.6
372.79562	0.7
418.07840	4.2
436.08926	100.0
437.09470	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35829	20.3
59.01102	21.6
59.01394	100.0
59.82719	18.1
70.95007	23.6
92.10825	43.9
114.70872	25.4
125.02399	26.1
161.81058	30.1
162.83914	45.8
217.84236	30.6
238.89758	29.3
399.11575	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62161	0.8
52.49997	1.1
55.01905	1.1
58.00601	1.8
59.01388	100.0
62.22157	1.1
62.98033	0.9
71.01385	38.6
72.99321	2.3
73.02943	4.4
78.95921	2.3
83.01399	1.7
85.02498	1.2
85.02943	8.5
87.00881	6.6
89.02446	45.9
92.10787	1.1
95.01384	1.9
96.95998	11.8
96.96979	2.0
101.02445	19.9
108.02172	5.4
109.02930	1.3
113.02471	12.4
117.03462	7.2
119.03500	18.3
119.05069	1.3
122.03773	1.7
126.97897	1.2
131.03485	1.3
133.02960	2.4
134.03821	1.1
135.04552	4.8
143.03560	2.4
145.02972	32.9
146.03790	8.4
147.04536	10.9
149.02455	4.4
149.04527	1.4
150.03226	5.6
152.01151	2.0
154.78616	1.1
161.02466	34.6
161.04575	5.2
162.01913	1.9
162.03244	43.0
163.04050	1.9
165.01900	1.2
165.05577	13.7
177.05554	16.3
179.05638	20.3
180.04315	11.9
189.01773	1.2
191.05746	1.5
195.05281	1.2
195.06662	18.6
213.07727	1.9
244.86914	1.2
315.07202	2.3
327.10849	1.4
357.12036	19.9
375.06662	1.3
375.13165	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	435.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86398	0.4
55.01898	0.6
57.88012	0.4
59.01389	100.0
59.91537	0.3
66.36197	0.4
69.03471	0.6
71.01384	3.3
73.02951	1.6
83.01410	0.7
85.02963	2.4
93.03477	2.2
95.01377	0.5
97.02966	0.7
101.02443	3.6
108.02216	0.6
109.02945	1.8
113.02487	1.4
121.02983	2.0
123.00887	2.2
123.04505	0.8
124.01653	4.1
125.02451	12.1
137.02461	2.5
149.99600	6.1
152.01138	1.5
153.01945	1.9
161.04601	0.6
164.27075	0.4
168.00661	11.5
169.01465	0.5
170.76741	0.4
296.03659	0.4
313.05734	0.5
315.07526	0.5
327.34500	0.5
363.59174	0.5
375.20306	16.6
435.09381	14.8
435.22589	0.9
443.98633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38074	2.6
55.58562	3.1
58.28542	3.1
59.01389	84.1
61.98862	5.6
67.45953	3.0
71.01399	16.1
73.02970	3.4
75.00886	4.4
75.19044	3.1
77.45166	3.1
85.02957	32.8
85.27688	3.2
87.00902	4.9
89.02483	4.7
92.10049	5.9
93.03483	7.0
101.02438	6.2
108.02191	4.5
108.51854	3.7
109.02965	3.6
115.03989	6.9
119.49677	3.4
121.02957	100.0
124.01672	8.0
135.03027	5.8
135.04530	46.0
137.02399	4.4
155.10814	17.8
163.04016	7.4
168.00661	8.8
171.10204	4.9
179.07021	4.9
191.05640	35.3
195.06648	6.2
195.08224	6.5
213.09309	28.4
217.10841	7.5
259.12024	4.1
261.07529	3.9
273.11539	4.4
300.48087	3.7
318.16055	3.6
375.14511	6.0
399.13101	34.4
435.10175	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	435.0937
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
51.19586	0.5
67.75150	0.6
69.03450	4.6
79.01913	0.9
81.03478	0.8
83.01405	2.8
88.42587	0.7
95.01428	1.1
97.02943	5.5
107.01421	2.7
108.02172	0.7
117.94070	0.7
121.02968	8.7
123.00896	8.6
124.01665	34.9
125.02449	81.1
137.02452	3.6
137.51642	0.7
149.99602	54.2
151.00357	3.8
168.00652	74.5
169.01439	5.7
169.08066	0.6
188.26772	0.7
220.88799	0.6
313.05743	2.8
417.08316	2.9
435.09409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0941
Annotation	Taxifolin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
57.03460	10.0
59.01375	1.0
65.00340	12.6
76.59167	0.9
81.03477	4.5
83.01395	24.1
93.03474	1.7
97.02971	1.9
107.01404	23.7
109.02977	0.9
121.02946	5.5
124.01672	5.0
125.02454	66.3
131.01410	1.7
137.02507	1.8
139.04012	1.1
149.00206	1.0
149.02507	1.5
151.00388	100.0
167.03479	1.6
168.00626	4.9
169.01437	26.1
175.00368	5.9
178.20927	0.9
193.01416	4.5
295.04953	1.0
394.79453	1.0
435.09396	86.9
436.09427	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	3.1
57.54249	2.2
59.01389	49.1
61.98845	21.0
66.60379	2.0
69.03492	2.4
71.01395	23.5
73.02962	4.3
75.00888	4.6
78.95908	2.5
85.02967	22.3
87.00872	3.5
88.98827	15.3
89.02457	5.0
92.10137	2.5
93.03459	24.2
101.02461	13.7
105.51365	2.4
108.02194	38.4
109.02962	100.0
109.03685	3.7
113.02457	3.2
117.42769	2.5
119.03478	2.3
119.05029	5.3
121.02974	34.6
123.00881	2.6
125.02486	3.8
132.02205	3.7
134.03751	3.5
135.03008	3.7
135.04538	16.4
137.02469	28.7
138.03233	3.2
139.04086	2.8
145.03008	3.8
147.04611	2.6
151.00398	20.6
152.01157	45.7
153.01959	68.9
155.10887	2.9
160.01660	24.2
161.02489	3.6
161.04578	2.4
163.04028	5.5
166.02708	35.8
173.02637	2.8
173.04565	2.8
174.03229	3.0
175.04002	36.3
181.05054	26.5
188.04752	2.6
190.06403	4.0
191.05621	15.8
193.04977	4.2
205.08759	2.9
213.09198	4.2
237.07788	4.7
253.05017	2.8
269.04648	5.3
281.06729	3.0
284.07050	2.7
297.04114	12.1
299.09537	2.5
303.09604	2.6
312.06326	18.3
315.07199	12.8
327.08780	36.4
342.11081	38.2
357.13531	63.2
375.14508	15.9
399.12976	25.5
405.15863	3.1
435.09482	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10192	0.8
59.01402	1.0
61.98843	100.0
94.46235	0.8
97.38159	1.0
109.96384	0.9
148.98125	1.0
184.77258	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	73.9
59.18515	16.6
61.98841	100.0
70.32378	15.8
76.57668	21.4
80.50815	17.4
93.70782	16.5
94.74160	19.9
100.96069	18.0
121.02996	22.3
153.48265	20.7
167.96005	18.4
214.10867	23.0
294.51804	24.4
376.77213	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	434.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50886	0.3
58.34279	0.3
58.51523	0.3
59.01384	9.8
60.01714	1.2
61.98837	100.0
62.06826	0.3
71.01398	0.6
101.02374	0.3
107.01472	0.4
119.04993	0.3
121.02949	1.6
122.03748	9.8
123.04078	5.2
124.62775	0.3
135.04517	0.5
151.00383	1.1
164.13725	0.3
165.05566	0.4
201.74049	0.3
240.41136	0.3
241.35876	0.3
260.27094	0.3
260.29764	0.3
271.05817	0.4
272.06503	1.4
390.12939	1.1
426.37134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03654	0.2
54.82909	0.2
59.01389	100.0
61.98844	0.6
63.44425	0.3
64.79520	0.2
71.01387	3.6
71.97230	0.3
85.02962	0.6
85.78177	0.3
86.59605	0.3
89.02459	3.2
92.10236	1.6
92.10869	0.5
93.03448	0.3
93.55211	0.3
101.02444	1.9
113.02435	0.6
119.03493	0.5
121.02964	0.3
148.81030	0.3
154.37856	0.3
161.04478	0.3
179.05638	0.6
191.05553	0.4
227.07004	0.4
246.48685	0.3
253.07690	0.3
255.03052	0.4
271.02527	2.0
271.05933	0.5
300.02832	2.3
301.46472	0.3
304.63333	0.3
373.22476	1.4
385.01215	0.3
433.07687	1.2
433.24194	0.7
457.58267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2367
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
50.89028	0.6
51.62979	0.7
59.01380	1.2
61.98831	1.4
63.54779	0.6
73.98735	0.8
76.51466	0.7
78.95905	80.6
90.00884	0.8
96.50698	0.6
96.96964	8.2
112.19954	0.7
113.02789	0.7
147.01427	0.7
150.98016	2.8
152.99606	100.0
171.00609	1.0
176.35022	0.8
279.23294	1.4
280.86319	0.7
301.84366	0.7
398.53906	0.7
433.23691	15.6
433.29114	1.4
445.40997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02137	0.2
55.01895	0.5
57.03466	0.3
59.01392	100.0
59.35434	0.2
60.01733	0.5
61.01816	0.3
61.98835	1.9
68.15940	0.2
68.93355	0.2
71.01389	4.8
71.01728	0.3
73.02962	1.6
83.01398	0.5
85.02969	2.7
87.00912	0.4
89.02452	1.7
93.03453	0.2
95.01386	0.3
96.88410	0.2
99.00906	0.9
101.02454	3.1
107.01448	0.3
113.02473	2.2
119.03497	0.3
121.02945	1.9
122.03333	0.2
123.03541	0.3
143.03513	0.4
151.00374	0.9
161.04544	2.8
163.00275	0.3
173.09789	0.2
176.99554	0.2
178.99998	0.2
191.05579	0.8
211.17033	0.3
222.65459	0.2
227.03490	0.2
243.02939	1.5
255.03061	2.4
271.02527	6.3
300.02795	7.4
301.03555	2.8
313.05789	0.4
373.22357	4.7
432.70111	0.2
433.07635	2.6
433.24774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	86.6
61.98818	15.0
71.01388	8.8
93.03459	44.9
95.26699	8.2
103.28396	7.9
105.56907	8.8
110.37287	8.3
113.06103	17.0
119.05000	18.1
137.02452	36.5
145.03009	31.5
152.01158	9.8
167.03510	59.5
173.04527	100.0
191.05602	38.5
224.87642	8.1
226.39708	8.0
287.11334	43.0
309.72614	9.2
318.90384	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	433.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45321	1.9
59.01396	24.6
63.80225	1.8
65.03526	1.8
71.01398	5.4
73.02952	4.1
73.85147	1.9
85.02974	3.7
89.02451	6.0
92.10090	4.9
93.03457	63.3
101.02461	9.0
105.10950	2.3
121.02954	9.1
137.02457	100.0
184.67255	2.4
185.73624	2.5
191.39801	2.8
193.58910	2.8
257.38461	2.6
329.08002	2.6
386.85861	2.5
433.20905	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	433.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76088	1.0
55.01904	2.8
57.03467	1.3
57.18576	1.2
59.01388	70.5
59.83062	1.1
61.98833	13.4
67.92104	1.2
69.03456	1.5
71.01384	100.0
72.99322	2.4
73.02944	28.2
73.03300	1.5
73.57419	1.3
74.58563	1.1
75.00893	5.7
75.14217	1.1
83.01379	10.1
85.02957	39.7
85.03445	1.5
86.71218	1.3
87.00883	9.7
88.98834	3.2
89.02448	31.7
92.10747	2.5
93.03455	2.9
95.01420	8.0
96.96039	2.7
97.02993	2.2
99.00887	11.3
101.02444	42.4
105.01987	3.0
107.02377	2.0
108.02264	1.6
109.02959	2.0
109.19379	1.4
111.08173	18.2
113.02452	41.5
115.00365	1.3
119.03517	9.9
121.02990	22.5
121.03789	2.4
122.03293	12.0
123.00888	20.5
123.03439	2.1
125.02409	1.6
129.01967	1.7
135.04535	19.0
136.04889	8.2
137.02451	2.0
137.05089	3.1
137.06125	5.4
138.03233	17.3
139.07663	46.3
143.03548	5.9
149.09756	7.6
153.05621	9.7
159.03033	7.1
161.04576	88.5
163.04033	2.5
166.99892	21.2
167.10753	3.1
179.05618	11.0
181.01498	1.7
182.02243	52.9
191.05644	5.1
197.04596	55.9
211.09811	1.7
233.06685	18.6
295.10538	1.9
324.11313	1.7
365.14474	1.6
373.15094	54.4
397.17050	1.8
433.12854	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98848	3.0
75.41167	1.8
101.02420	1.9
107.05032	21.5
121.02966	3.1
158.06424	2.0
161.04677	2.3
161.09787	2.5
205.08734	9.8
237.27992	1.9
240.86415	2.0
342.16714	2.1
346.19952	2.2
441.36423	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	433.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08382	1.0
55.01897	2.7
55.86922	0.9
57.03465	2.7
58.00618	6.8
58.02998	2.0
59.01396	65.4
61.98853	1.6
67.01930	1.6
69.03468	1.4
71.01390	64.2
72.99334	1.2
73.02957	14.0
75.00899	2.1
82.95433	8.7
83.01412	7.2
85.02966	28.9
87.00887	2.5
88.98817	7.7
89.02453	11.4
93.03468	10.3
95.01403	4.7
96.96014	8.7
97.02982	2.6
98.03757	5.1
99.00892	7.1
101.02451	32.5
105.01958	1.8
107.05035	2.3
111.08176	5.7
113.02475	20.8
119.03484	1.7
120.33628	1.2
121.02951	2.6
121.04635	1.1
121.06609	1.5
125.06065	1.5
125.93567	1.2
130.08759	8.3
131.08618	1.1
134.07333	1.3
135.03064	1.5
135.04503	2.6
137.06099	1.4
137.09723	2.7
139.07666	30.0
139.11296	23.1
142.06618	1.3
143.03497	1.6
148.19635	1.5
149.09723	20.9
153.05588	2.0
153.09210	1.7
159.03000	1.3
161.04579	30.2
165.09129	1.3
167.10789	100.0
172.09842	2.8
173.04535	6.8
185.07175	1.5
191.05655	35.5
211.09811	72.0
233.06673	2.2
373.15106	69.3
433.17288	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52195	0.2
54.20427	0.2
59.01393	2.0
60.11245	0.2
61.50780	0.2
61.91090	0.2
63.59358	0.2
63.73896	0.2
71.01391	0.9
71.75925	0.2
87.00893	0.3
89.02471	0.9
93.03458	61.2
101.02444	0.3
121.02933	0.5
133.01413	0.2
135.04599	0.4
137.02451	100.0
151.06110	0.9
191.05548	0.4
370.66830	0.3
416.66324	0.3
433.13367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1508
Annotation	Jamaicolide B
Peak:m/z	Relative Intensity
59.01388	100.0
92.10644	0.6
93.03444	0.4
121.02963	7.4
123.16563	0.3
138.02248	0.4
149.38931	0.4
173.04593	0.8
395.86539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87462	0.8
56.83635	0.9
57.03439	1.0
59.01389	24.3
61.98829	1.1
66.25843	0.9
70.98024	1.1
71.01391	13.1
73.02939	1.5
78.95947	1.4
80.10908	1.0
85.02966	5.7
85.39391	0.9
87.00914	1.3
89.02452	11.2
92.77378	0.9
93.03468	53.8
96.96012	16.3
100.72064	1.0
101.02419	7.7
107.05042	2.1
113.02425	1.5
119.03510	2.2
123.00889	1.9
133.02971	13.7
135.04541	9.4
136.01645	5.8
137.02451	100.0
138.03300	1.8
151.04041	4.1
151.06107	6.7
161.02458	5.3
161.04398	1.0
173.04524	2.2
177.02008	3.5
177.03690	1.0
179.03520	25.0
181.08737	1.7
182.02222	5.6
191.05624	9.3
197.04565	4.5
211.09846	1.1
215.00238	4.1
215.05655	2.4
229.72127	1.0
238.34091	1.1
239.05623	12.3
244.10846	1.0
258.99213	1.8
260.54456	1.1
281.06552	1.6
338.93927	1.2
351.07333	8.4
373.14969	3.9
385.82877	1.0
433.04312	6.2
433.13568	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05065	0.3
59.01111	0.5
59.01387	11.9
61.98828	0.4
64.34859	0.3
65.03967	0.4
71.01379	1.3
85.02930	0.7
89.02429	0.4
93.03458	76.2
101.02412	0.4
103.95789	0.3
126.10741	0.4
137.02455	100.0
203.16472	0.3
320.13898	0.3
373.22601	0.7
389.12680	0.6
433.11768	1.9
433.24692	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1146
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
51.43115	0.2
59.01380	1.9
61.98815	0.3
63.02402	3.4
65.00327	7.3
65.00677	0.2
72.48529	0.2
83.01393	5.5
83.52509	0.3
84.77423	0.2
89.52757	0.2
92.10728	0.4
93.02868	0.3
93.03457	10.6
107.01400	19.1
108.02219	0.5
119.05030	62.3
121.02959	2.0
122.03742	4.8
125.02435	1.8
136.01703	0.6
137.02534	0.3
143.04974	0.4
145.02960	1.1
149.02441	0.3
151.00388	55.1
161.06123	0.5
164.01166	1.1
165.01926	1.9
169.01395	1.7
175.00359	1.4
177.01965	7.8
187.04015	1.1
193.01395	1.0
227.07147	0.6
253.05090	0.5
271.06161	100.0
272.06433	1.9
295.06055	0.4
313.07379	2.2
382.48724	0.2
433.11786	1.0
450.80829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1148
Annotation	Chalconaringenin 4-glucoside
Peak:m/z	Relative Intensity
53.89813	0.7
55.01880	0.9
59.01391	25.1
61.98843	3.9
62.18616	0.6
63.14296	0.6
63.28450	0.6
65.00336	1.6
71.01385	7.3
73.02943	1.4
81.03442	1.3
82.54079	0.7
83.01386	3.5
83.91668	0.8
85.02959	6.9
91.05508	1.3
93.03421	1.5
95.01371	2.9
101.02427	5.9
107.01382	6.1
108.02180	100.0
109.02960	59.9
110.82622	0.7
113.02433	1.6
117.03471	13.1
119.05033	13.4
121.02924	1.2
123.00911	1.0
123.04552	0.9
125.02416	1.4
135.04564	1.4
151.00403	17.0
151.04073	0.8
152.01163	83.6
153.01941	25.5
165.01958	1.7
177.01962	1.2
185.06013	0.9
193.08670	1.3
271.06110	18.1
315.07330	26.8
373.22351	1.3
433.11472	61.0
434.11798	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.8
56.86127	0.7
57.03465	1.5
58.03317	0.8
59.01389	100.0
61.98834	6.5
63.72318	0.7
71.01381	17.4
72.99327	1.6
73.02960	7.8
75.00883	4.2
78.21227	0.7
83.01417	4.6
85.02956	12.4
87.00880	4.1
89.02459	4.6
93.03463	39.6
95.01398	3.3
96.96011	1.2
99.00904	1.0
101.02442	13.7
105.01939	20.4
108.02200	0.8
109.02940	1.0
110.02512	0.9
113.02484	7.6
119.03486	0.9
121.02968	18.9
122.03307	4.7
123.03480	1.1
135.02997	1.5
135.04530	1.7
137.02463	54.4
155.10811	5.6
161.04590	1.3
167.31219	0.8
179.72266	0.9
181.12395	1.5
191.05617	6.3
197.09747	4.6
199.09795	1.5
225.98692	0.9
281.06631	1.1
282.98361	0.9
301.11038	2.0
388.00809	0.8
389.12512	51.0
389.17639	1.8
433.11411	3.2
433.20047	1.3
433.24841	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.8
56.86127	0.7
57.03465	1.5
58.03317	0.8
59.01389	100.0
61.98834	6.5
63.72318	0.7
71.01381	17.4
72.99327	1.6
73.02960	7.8
75.00883	4.2
78.21227	0.7
83.01417	4.6
85.02956	12.4
87.00880	4.1
89.02459	4.6
93.03463	39.6
95.01398	3.3
96.96011	1.2
99.00904	1.0
101.02442	13.7
105.01939	20.4
108.02200	0.8
109.02940	1.0
110.02512	0.9
113.02484	7.6
119.03486	0.9
121.02968	18.9
122.03307	4.7
123.03480	1.1
135.02997	1.5
135.04530	1.7
137.02463	54.4
155.10811	5.6
161.04590	1.3
167.31219	0.8
179.72266	0.9
181.12395	1.5
191.05617	6.3
197.09747	4.6
199.09795	1.5
225.98692	0.9
281.06631	1.1
282.98361	0.9
301.11038	2.0
388.00809	0.8
389.12512	51.0
389.17639	1.8
433.11411	3.2
433.20047	1.3
433.24841	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89915	0.5
53.80555	0.5
53.85154	0.7
55.01887	1.5
57.03455	1.4
58.81718	0.5
59.01389	100.0
61.98834	6.7
71.01385	17.5
72.99321	1.5
73.02957	7.3
75.00874	3.0
83.01414	3.9
84.95136	0.8
85.02960	9.2
85.89326	0.6
87.00881	1.5
89.02453	4.1
90.37713	0.7
93.03457	39.8
95.01396	1.6
96.96014	1.5
99.00903	1.1
101.02448	14.9
105.01943	19.3
108.02242	1.4
113.02467	6.9
115.00354	0.9
119.05060	1.0
121.02976	13.1
122.03284	1.7
123.03440	1.0
129.80870	0.7
135.03017	1.6
135.04503	1.7
136.01669	3.3
137.02457	60.3
149.06062	1.0
155.10812	6.8
161.04512	1.6
179.03537	0.9
182.07294	1.3
191.03773	0.8
191.05482	5.1
197.09721	4.7
199.09781	3.4
218.68475	0.9
221.04459	1.3
301.10788	3.5
304.11533	0.9
317.12350	0.9
341.79846	0.8
345.99796	0.8
389.12500	55.4
433.06235	0.8
433.11414	5.5
433.24960	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82967	0.2
59.01387	10.1
60.01727	1.0
61.98836	100.0
71.01397	1.4
74.53850	0.2
75.08103	0.2
75.41506	0.2
85.02957	0.6
85.60226	0.2
89.02458	0.4
96.09929	0.2
101.02449	0.5
107.61950	0.2
121.02971	1.9
130.59569	0.3
135.04523	0.6
171.73445	0.3
189.36220	0.3
240.30893	0.3
300.18018	0.3
372.21359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.26
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82899	1.3
59.01385	12.8
61.98838	100.0
71.21480	1.3
78.95900	13.3
87.37019	1.8
106.52061	1.5
106.87993	1.6
152.99596	14.5
153.99957	2.3
193.46530	2.0
279.42770	1.6
314.24365	2.2
381.20810	1.7
435.28006	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	431.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.01388	4.3
83.01422	0.4
85.02959	1.1
89.02451	4.9
92.10759	0.4
95.01407	0.3
101.02444	1.6
113.02443	1.6
119.03503	1.4
121.02959	20.8
135.04495	0.7
149.42393	0.3
179.05597	1.7
191.05608	0.7
241.01370	1.2
242.02113	0.5
249.51335	0.3
270.01703	1.3
355.16592	0.3
358.07892	0.3
371.13556	1.4
431.06235	1.2
453.03687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.0
59.01387	100.0
61.30666	0.4
61.98835	1.9
66.97086	0.4
71.01381	9.2
73.02936	2.3
83.01382	0.8
85.02948	4.2
89.02453	3.2
92.10831	0.7
99.00861	1.0
101.02441	7.6
113.02425	4.1
119.03489	0.6
161.04556	5.5
209.15552	1.9
258.84650	0.5
308.76248	0.5
371.20776	15.9
374.36292	0.5
404.15311	0.5
431.22922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59154	0.2
56.03749	0.3
58.04564	0.3
59.01389	55.7
60.55388	0.2
61.98834	3.1
78.95906	57.9
80.30357	0.3
96.96957	6.9
150.98033	2.3
152.99606	100.0
154.00000	0.5
171.00694	3.5
190.34795	0.3
277.21750	1.1
297.24460	1.3
364.83994	0.3
431.22092	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	432.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75163	0.2
59.01387	3.0
60.01728	0.3
61.01818	0.4
61.06782	0.2
61.78494	0.1
61.98838	100.0
96.48797	0.2
146.69707	0.2
174.45702	0.2
271.78043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18152	0.2
55.01880	0.3
57.03452	0.4
58.98223	0.2
59.01389	100.0
61.98841	1.1
67.43285	0.2
70.21010	0.2
71.01381	4.3
73.02963	1.2
75.00920	0.3
76.78250	0.2
81.03471	0.2
83.01408	0.9
85.02966	2.4
86.91779	0.2
87.00864	0.4
89.02437	1.8
93.03448	0.3
95.01387	0.4
99.00867	1.0
101.02444	3.1
109.02984	0.3
113.02464	1.8
119.03491	0.3
121.02951	13.9
121.06579	0.3
133.02983	0.6
134.03719	0.9
135.04521	12.7
135.05504	0.5
147.03036	1.2
161.02519	2.4
161.04576	2.4
165.34439	0.2
173.04646	0.5
179.03496	5.1
191.05576	0.4
200.80411	0.3
209.08234	1.0
211.04036	4.3
239.03549	3.2
240.04213	0.6
251.16652	0.5
268.03818	2.4
269.06757	1.9
293.97839	0.2
309.06122	1.4
345.22858	0.3
371.20853	5.0
431.09848	3.0
431.23178	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.01388	4.3
83.01422	0.4
85.02959	1.1
89.02451	4.9
92.10759	0.4
95.01407	0.3
101.02444	1.6
113.02443	1.6
119.03503	1.4
121.02959	20.8
135.04495	0.7
149.42393	0.3
179.05597	1.7
191.05608	0.7
241.01370	1.2
242.02113	0.5
249.51335	0.3
270.01703	1.3
355.16592	0.3
358.07892	0.3
371.13556	1.4
431.06235	1.2
453.03687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35649	0.3
56.62277	0.3
57.03462	0.4
59.01395	100.0
61.98836	0.6
63.90055	0.3
71.01385	6.0
73.02957	1.5
75.00883	0.3
75.06371	0.2
83.01408	0.3
84.87305	0.3
85.02956	2.8
87.00918	0.3
89.02443	4.0
99.00877	0.4
101.02446	3.3
113.02443	2.1
115.04015	0.3
119.03491	1.7
121.02963	3.2
135.04495	1.1
137.02469	0.3
161.02454	1.3
161.04607	2.2
179.05591	1.8
202.41995	0.3
211.04144	0.5
239.03535	0.4
265.07104	0.3
285.04022	0.4
371.20670	3.4
394.90393	0.3
431.23148	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	431.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72679	6.0
59.01386	100.0
63.51566	6.7
71.01382	61.7
75.00896	36.8
75.47913	6.3
77.05374	5.7
81.13847	6.1
83.62397	6.1
85.02968	10.6
89.02451	69.0
93.03481	44.5
101.02447	15.9
113.02440	10.9
119.03528	16.9
121.02988	48.6
135.04565	32.9
137.02475	43.8
168.00610	13.7
179.05646	57.3
431.12100	50.2
431.19281	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2208
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
50.53131	0.3
58.11275	0.3
59.01395	0.4
61.64055	0.2
61.98832	0.8
62.80897	0.3
72.46481	0.3
73.34068	0.4
78.95908	67.1
91.52940	0.3
96.96966	7.3
121.46062	0.3
124.74905	0.3
150.98035	2.3
152.99609	100.0
171.00653	3.3
225.84109	0.3
277.21786	0.8
337.83737	0.4
431.22104	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	431.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.4
57.55366	0.3
59.01389	100.0
63.32590	0.2
71.01385	3.9
75.18555	0.3
85.03013	0.8
89.02458	4.5
93.03429	1.0
93.60293	0.3
101.02457	1.8
105.05579	0.4
109.08467	0.2
113.02465	1.8
119.03512	1.6
121.02968	45.2
135.04515	1.9
155.10791	0.6
161.04341	0.3
179.05588	1.4
190.76202	0.3
191.05603	1.8
199.09784	0.6
211.62587	0.3
213.09123	0.3
241.01476	1.0
242.02141	0.5
245.00909	0.6
270.01813	0.6
291.10437	0.3
298.01349	0.4
299.01837	0.3
303.99225	0.3
371.13489	3.2
431.06149	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11352	0.5
59.01390	23.6
61.98844	0.8
71.01383	6.1
73.02968	1.0
75.00883	2.4
83.01464	0.6
84.52610	0.5
85.02962	3.2
87.00887	0.7
87.58295	0.5
89.02462	1.4
91.01910	5.8
93.03460	25.0
93.04016	1.0
96.95995	1.0
97.17847	0.6
101.02435	2.3
109.02984	2.1
113.02457	1.2
119.03490	0.8
121.02961	100.0
122.03297	1.2
135.00883	3.0
135.03018	1.0
135.04532	4.9
137.01439	1.2
137.02461	27.6
153.01950	4.9
161.04572	0.9
163.03926	0.7
173.04523	0.8
178.99873	3.8
184.45399	0.8
191.05676	5.0
192.05969	2.0
197.06027	0.9
202.44078	0.7
209.04578	3.6
235.55780	0.6
270.50552	0.6
273.26459	0.6
373.37457	0.6
431.11761	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	431.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09354	0.3
57.03439	0.6
59.01388	19.5
60.29108	0.3
68.69031	0.3
71.01393	5.7
73.02944	2.1
75.00901	0.8
82.63797	0.3
82.95433	1.5
83.01409	0.5
83.05031	0.6
85.02953	2.5
87.00881	0.8
88.21765	0.4
88.98819	0.4
89.02448	4.2
93.03473	5.9
101.02474	3.3
111.00846	0.4
113.02448	1.6
119.03522	0.7
121.02961	100.0
121.22688	0.4
122.03311	0.6
125.02520	0.5
135.02991	0.9
135.04533	10.6
136.04913	0.5
137.02452	7.6
149.04517	0.4
151.03995	0.5
153.09235	0.9
161.04576	0.5
163.04025	1.6
165.07707	2.1
191.05624	1.5
197.08160	0.5
210.03018	0.4
229.18748	0.4
248.06264	0.4
309.11969	1.8
315.10800	0.7
370.05969	0.4
371.13382	2.1
385.19031	0.4
396.52737	0.5
431.11154	1.1
431.16055	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	431.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53847	0.4
59.01391	8.1
67.85907	0.5
71.01395	2.7
74.88155	0.4
78.47522	0.5
85.02958	0.5
106.72621	0.5
115.00410	0.7
115.93288	0.5
119.05013	0.7
121.02962	100.0
135.04520	3.5
145.16029	0.5
155.10779	4.8
189.58708	0.5
191.05629	0.6
199.09740	2.9
248.77475	0.5
266.57605	0.7
371.13608	3.6
390.62854	0.6
418.74161	0.6
453.45956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66469	0.2
57.03469	0.3
59.01389	39.5
68.69976	0.3
71.01395	2.6
76.03779	0.3
79.08131	0.2
83.01418	0.4
85.02960	1.2
87.04554	0.3
89.02457	1.9
92.10087	0.3
93.03477	0.4
101.02467	1.2
105.05583	1.5
119.03525	0.4
121.02959	100.0
122.03303	0.5
135.04544	3.3
162.84737	0.3
191.05586	1.6
216.66364	0.3
241.01447	0.5
270.01724	0.4
307.26224	0.4
371.13461	7.8
456.51151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	0.2
57.03477	0.2
59.01390	15.2
60.99323	0.9
61.98841	0.3
65.46978	0.1
71.01384	2.1
71.01663	0.1
71.28140	0.1
72.99265	0.1
73.02955	0.6
75.00898	0.3
78.11136	0.1
78.95872	0.2
83.64651	0.1
85.02966	1.0
87.00890	0.2
88.98804	4.1
89.02462	0.8
90.82132	0.1
92.10757	0.2
93.03482	1.3
101.02460	0.7
105.05582	0.9
108.02158	0.2
109.02979	1.3
112.14717	0.1
113.02473	0.3
115.00365	0.3
119.03489	0.2
119.05032	0.2
119.48338	0.2
121.02965	100.0
122.03283	0.3
127.69814	0.2
135.03003	0.3
135.04536	3.5
137.02470	1.4
143.05061	0.6
147.04543	0.3
153.09158	0.2
155.10811	1.3
155.77756	0.2
163.04012	0.3
173.04446	0.2
177.70351	0.2
179.03436	0.2
191.05643	0.9
197.08176	0.3
199.09824	0.8
205.05055	0.2
208.93750	0.1
251.07178	0.2
253.08833	1.9
297.07761	0.6
315.10883	0.3
324.81415	0.2
353.56403	0.2
371.13474	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50461	0.4
55.01883	0.5
58.03714	0.4
59.01391	12.4
59.42423	0.4
61.19584	0.5
61.98838	0.7
66.45311	0.4
71.01385	6.0
72.99310	1.9
77.12123	0.4
83.01393	0.5
85.02960	0.6
89.02451	0.9
93.03458	0.6
101.02491	0.8
105.28580	0.4
111.00903	0.5
119.05024	6.0
120.05373	0.8
121.02962	100.0
123.04518	0.7
135.04541	44.7
142.82748	0.4
147.04544	67.2
161.06096	0.6
163.04002	4.6
163.11314	0.5
165.04308	0.8
165.05597	12.2
189.05589	0.6
204.83492	0.4
223.06125	0.8
345.22922	0.5
401.68872	0.5
414.25986	0.5
431.13565	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14629	1.4
53.88765	1.2
55.01871	9.8
59.01380	21.2
71.01389	14.4
72.99293	2.6
75.00874	96.0
85.02931	3.3
87.00876	2.5
89.02422	2.8
90.86512	1.5
101.02411	1.8
114.26932	1.8
117.01916	1.7
121.02961	84.2
122.65852	1.6
127.71387	1.7
129.01915	7.2
135.02985	2.5
135.04544	79.6
145.02965	3.7
146.03352	2.3
147.02905	2.5
158.59291	1.5
163.03955	10.8
195.06558	8.9
202.52136	1.7
211.71413	1.7
317.24667	1.9
359.46255	1.9
374.00085	2.0
431.11823	100.0
432.05850	1.9
432.11887	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	431.12
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25186	0.8
51.61330	0.9
51.77128	0.9
59.01382	18.0
70.47806	1.1
71.01386	18.0
73.02953	6.5
81.03460	1.5
82.46060	0.9
85.02948	6.4
87.00883	1.6
89.01932	1.7
89.02443	42.0
89.66457	0.9
93.03464	4.4
95.01401	3.8
96.96039	1.3
99.00872	7.6
101.02420	8.8
104.98398	1.0
108.02188	90.0
109.02966	78.6
113.02428	5.5
119.03443	1.9
119.04996	5.2
121.02958	12.7
123.00819	1.6
123.04462	1.6
125.02419	1.3
131.03409	1.8
133.05095	7.8
135.04474	2.2
137.02437	2.4
139.42276	1.0
149.04556	1.8
152.01176	100.0
153.01950	39.1
163.03973	1.9
165.01839	1.9
199.36462	1.2
200.87854	1.0
269.10193	1.2
297.06039	6.8
315.07312	20.1
387.09113	6.9
431.11752	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22023	0.4
59.01377	1.9
60.99314	16.4
63.36135	0.4
71.01387	2.5
73.02950	2.2
81.23849	0.4
83.01388	0.4
85.02935	0.7
85.51109	0.4
87.00872	0.7
88.98804	100.0
89.02425	1.0
97.14466	0.4
101.02446	1.0
108.02124	0.7
109.02932	1.0
115.00363	2.6
116.92813	0.7
117.01913	0.8
129.01923	0.5
133.01445	3.4
135.02962	0.7
136.04245	0.5
139.41287	0.4
152.01125	0.7
153.01933	1.9
163.43042	0.4
181.07518	0.6
261.14429	0.4
313.09161	0.8
315.07159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62376	0.9
59.01394	20.2
71.01393	13.9
71.99860	1.0
72.99343	1.0
73.02964	18.0
85.02976	1.3
87.00890	68.3
89.02462	2.6
99.00903	2.7
101.02464	2.6
105.01948	7.9
113.02447	1.3
119.03613	1.0
121.02963	94.9
135.04539	100.0
142.97232	1.1
149.56604	1.1
163.03961	7.5
169.28008	1.0
206.54626	1.2
248.11069	1.1
273.30219	1.2
320.56992	1.3
371.09750	2.4
402.15540	1.1
431.11996	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	52.7
60.01719	0.7
61.80557	0.7
61.98822	1.5
68.49916	0.7
71.01391	7.7
73.02962	1.7
75.00871	1.4
85.02966	3.3
87.00894	1.2
89.02450	3.9
93.03472	1.9
95.01399	0.8
101.02433	4.2
113.02464	2.0
119.03468	0.8
121.02966	7.4
133.02940	1.0
135.02957	0.9
135.04518	3.6
137.02396	1.3
151.00369	1.1
156.02370	1.0
161.02513	1.2
161.04591	1.3
167.05368	0.8
172.05194	1.4
179.03484	1.4
181.08727	3.8
183.04665	1.2
187.06076	1.3
187.07652	14.3
189.64163	0.9
191.05612	1.1
211.03970	1.1
213.09357	1.0
227.03545	90.7
231.06718	8.2
231.10258	3.7
255.03026	100.0
256.03790	10.3
257.08099	1.9
275.09073	1.1
284.03314	71.8
285.04099	12.3
285.38583	0.9
387.10919	5.0
431.09860	70.1
431.22659	4.7
432.10590	1.2
440.38351	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64922	0.7
58.57810	0.8
59.01388	52.6
61.76002	0.6
61.98837	1.8
71.01389	8.6
75.47935	0.8
85.34634	0.8
87.00880	1.1
87.04518	1.3
89.02462	6.0
90.58862	0.8
93.03455	1.8
96.35711	0.9
99.00890	6.8
101.02447	4.6
107.05074	1.3
113.02441	1.7
117.03500	0.9
119.03484	1.2
121.02960	95.3
133.02951	4.5
134.03760	8.0
135.04536	100.0
137.09723	1.2
145.58119	0.9
147.02995	9.8
153.09218	1.0
161.02457	17.2
161.04544	1.6
179.03517	51.1
181.08762	6.1
224.26300	1.0
269.06723	18.0
269.17480	1.7
309.06174	14.8
325.77100	0.9
345.22873	1.0
347.57480	1.1
430.35461	0.9
431.22766	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	430.245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48481	0.9
59.01396	1.8
61.98835	100.0
64.48021	0.9
83.51463	1.1
108.37710	1.0
126.45865	1.0
204.46014	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67978	0.6
59.01392	1.2
61.98835	100.0
130.32549	0.7
145.07129	0.8
180.74921	0.8
190.67841	0.8
222.24918	0.8
229.27962	0.8
236.25316	0.8
295.64514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	2.5
60.63797	0.5
61.98837	100.0
69.23167	0.5
71.52646	0.5
72.20467	0.5
80.25980	0.5
212.29208	0.7
223.33490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0988
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
52.58877	0.7
53.97449	0.7
56.98085	0.6
57.03461	0.9
59.01387	75.4
60.89428	0.8
61.98840	5.3
71.01393	7.2
73.02970	0.8
85.02964	1.7
89.02454	5.0
93.03457	1.4
101.02435	5.6
107.01408	1.9
113.02443	3.6
117.46570	0.7
119.03457	1.4
121.02974	5.8
135.00880	1.3
135.04562	1.2
143.00784	0.8
143.05011	0.9
157.06572	1.0
159.04512	1.1
160.91570	0.7
161.02388	1.0
161.04594	1.0
163.00403	3.6
165.46802	0.8
165.78348	0.7
171.04547	1.0
179.05595	1.3
181.07060	1.1
183.04550	0.9
185.06110	2.9
187.04012	3.6
197.06189	0.8
211.04100	4.4
213.05580	1.1
227.03545	58.0
229.05074	15.1
239.03484	1.8
241.05028	1.5
255.03033	85.8
256.03781	6.6
257.04553	6.7
284.03320	61.1
285.04086	100.0
286.04312	1.4
293.30942	1.1
326.17163	0.8
334.37433	0.8
371.20874	4.7
431.09937	43.6
431.23093	1.6
439.52252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60521	0.7
59.01389	7.4
59.80212	0.5
89.02463	0.9
92.10146	0.8
116.80106	0.6
118.38126	0.5
121.03004	0.6
146.02507	1.0
169.06609	7.8
195.88664	0.6
196.05270	0.6
197.06107	40.0
223.06421	88.4
224.07182	14.3
239.07353	0.7
241.05171	1.4
267.05402	50.2
268.06018	1.4
430.11490	100.0
431.11884	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34327	0.2
59.01380	1.9
61.98840	100.0
62.71422	0.2
65.80096	0.2
68.47050	0.2
71.01381	2.0
85.02979	1.0
88.98816	0.3
89.02458	0.9
101.02455	1.0
108.02192	0.4
109.02990	0.5
113.02464	0.8
119.03499	0.3
121.02966	1.7
122.02479	0.8
136.04094	0.3
152.01193	0.8
157.05513	0.2
191.05745	0.3
237.12308	0.3
238.12703	0.2
279.85785	0.2
306.58182	0.2
315.22095	0.2
358.75485	0.2
358.84515	0.2
369.16473	0.8
370.16852	1.6
402.53677	0.2
431.12085	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91636	4.2
59.01387	100.0
61.98824	38.9
117.75236	5.1
121.02979	31.5
142.50444	4.8
159.42224	5.6
207.07646	5.3
209.90433	5.6
210.66963	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	430.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64231	0.6
55.55453	0.8
56.72487	0.6
56.73133	0.6
57.03452	0.8
59.01393	22.9
60.01741	0.8
61.98852	1.7
71.01391	8.3
73.02967	3.4
76.55957	0.8
85.02945	1.8
87.00877	0.9
89.02488	1.6
92.10141	0.9
93.03465	16.9
101.02469	1.4
108.02186	97.2
113.02459	1.7
113.41248	0.8
116.05067	84.6
118.02985	6.3
119.04974	2.7
121.02957	1.5
161.04552	3.4
173.04549	0.8
186.42381	0.8
191.05664	1.9
196.65016	0.8
197.06110	100.0
223.06433	1.4
224.07199	4.5
248.53362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14888	1.2
59.01389	100.0
61.98837	1.8
71.57953	1.4
78.95924	1.6
128.09798	1.6
164.90804	1.4
295.22781	9.9
378.00308	1.9
445.03561	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14888	1.2
59.01389	100.0
61.98837	1.8
71.57953	1.4
78.95924	1.6
128.09798	1.6
164.90804	1.4
295.22781	9.9
378.00308	1.9
445.03561	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2649
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
59.01402	0.3
79.01911	0.6
85.06625	0.6
92.10795	0.4
99.92599	1.6
100.93362	3.8
111.04527	6.1
111.08201	0.4
115.92081	27.4
116.92876	1.6
123.04531	2.0
144.77368	0.3
151.04012	10.2
152.04776	0.6
165.01901	0.5
165.05559	0.5
165.12744	0.3
166.02702	0.8
172.95505	0.4
177.01938	1.8
177.09268	1.3
179.03551	1.8
180.04286	5.2
191.10716	0.5
192.04279	0.4
193.08713	3.3
203.07150	4.5
207.06648	6.4
208.07416	2.5
219.06703	0.7
221.08215	100.0
222.08998	24.4
233.08188	4.2
235.09749	7.0
235.16962	0.7
247.09685	0.6
289.14539	0.4
303.16092	0.5
343.19229	0.6
345.17020	0.6
359.18851	0.7
360.19489	1.3
385.27734	1.4
429.26501	83.6
430.26865	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38688	1.3
59.01385	2.2
74.93928	1.5
85.11579	1.4
97.49465	1.5
99.15771	1.2
111.04533	7.4
126.83140	1.6
151.04010	8.3
203.07115	3.1
207.06627	7.8
208.07433	3.3
219.06717	2.7
221.08229	86.7
222.08995	16.4
233.08183	13.9
235.09789	12.4
289.14447	1.6
314.02716	1.5
357.72699	1.6
359.18765	2.4
360.19403	3.0
429.26544	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	429.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.6
59.01395	100.0
71.01385	7.0
73.02961	2.0
83.01390	0.5
84.74099	0.3
85.02967	3.3
89.02454	4.2
92.10844	1.4
93.03467	0.8
95.01343	0.4
101.02439	3.8
111.45855	0.4
113.02473	3.7
119.03475	2.3
119.04999	0.4
121.02962	0.6
135.04524	0.4
137.02403	0.7
137.40300	0.3
143.03539	0.5
159.03101	0.4
161.04590	3.2
179.05598	0.6
181.11572	0.4
207.38748	0.4
208.91222	0.5
218.54077	0.4
223.13371	1.5
267.12497	0.6
369.19431	1.4
429.21460	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71586	0.4
57.03461	0.5
58.43863	0.4
58.88147	0.4
59.01396	100.0
61.98877	0.6
65.76997	0.4
71.01394	8.5
73.02966	1.0
75.00906	0.8
75.53854	0.4
82.55061	0.4
83.01409	0.6
85.02964	2.3
87.00935	0.5
87.27161	0.5
89.02452	7.3
92.10703	0.7
93.03457	1.8
95.01391	0.5
101.02468	4.4
113.02457	2.1
119.03491	2.6
119.05025	0.5
121.02962	2.2
125.02424	0.9
127.72763	0.4
133.02937	1.9
135.02974	0.7
135.04489	0.4
163.04086	0.9
179.05582	1.0
180.66510	0.5
191.05630	0.5
194.25737	0.6
197.11873	0.6
207.10358	1.1
211.07642	0.5
212.21463	0.5
222.85950	0.4
223.13377	0.5
238.07579	0.4
249.14903	0.7
311.09314	1.8
343.21121	0.9
369.18958	0.5
429.21243	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10009	0.3
57.32341	0.3
59.01387	100.0
63.88092	0.3
64.99700	0.3
68.32877	0.3
71.01376	5.1
79.30702	0.3
82.10140	0.3
83.19959	0.3
85.02938	0.6
86.06977	0.3
89.02448	7.6
101.02456	2.1
113.02458	2.7
114.14323	0.4
119.03497	2.5
143.03549	0.6
161.04614	0.5
179.05652	1.7
190.40475	0.3
194.29010	0.3
329.13229	0.4
361.60593	0.3
429.21634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82987	0.2
57.03442	0.3
59.01388	100.0
65.23088	0.3
71.01389	5.6
71.30786	0.3
73.02961	1.3
85.02944	2.0
87.00895	0.4
89.02446	4.4
90.44732	0.3
93.03455	1.1
95.01388	0.4
96.96026	1.3
101.02451	2.6
108.02222	2.3
109.02956	2.1
113.02451	1.9
119.03500	1.6
119.05031	0.4
121.02959	3.7
121.26633	0.3
128.58345	0.3
131.07161	0.4
134.03687	0.4
135.02948	0.3
135.04512	1.6
143.03514	0.3
145.02969	0.3
152.01189	2.4
153.01894	0.6
153.09183	1.1
161.04555	0.6
163.03967	0.5
166.64377	0.4
173.04575	0.3
179.03499	0.4
179.05592	2.3
191.05606	2.4
197.08136	0.6
221.50241	0.3
327.08673	1.2
410.82135	0.3
429.14084	3.0
429.21417	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00614	0.5
59.01388	100.0
64.12678	0.2
67.01931	0.2
69.62607	0.2
71.01384	18.0
72.99322	0.9
73.02952	1.0
75.00863	0.5
83.01391	1.1
85.02951	3.4
87.00880	0.6
89.02446	21.4
90.04653	0.2
92.10064	0.3
93.03439	0.3
95.01386	1.2
95.77750	0.2
96.96003	1.0
99.00871	1.0
101.02451	7.3
107.04990	0.3
109.02936	0.4
113.02460	6.9
119.03513	8.2
121.02969	5.9
131.03464	1.0
134.03799	0.3
135.04532	3.4
140.75995	0.2
143.03535	0.9
143.04936	0.3
149.04543	0.6
151.03989	0.3
161.04567	1.4
163.04016	0.4
179.05621	6.1
189.12930	0.3
191.05623	0.5
198.94400	0.3
223.13460	0.9
249.11320	0.3
253.08646	0.5
267.09503	0.3
267.12366	0.5
355.09433	0.3
410.48834	0.3
429.13278	0.3
429.21445	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21313	0.4
52.22229	0.3
52.93159	0.3
57.03488	0.7
59.01386	8.9
71.01390	6.3
73.02966	1.0
75.00894	0.5
83.01408	0.6
85.02985	1.8
85.90930	0.4
89.02451	4.0
93.03468	0.5
101.02451	3.2
113.02470	1.1
117.02640	1.0
117.03477	28.3
119.03579	0.7
119.05027	17.4
121.02966	7.0
121.05090	2.0
134.03751	1.0
135.04556	1.8
145.02972	100.0
146.03279	0.8
149.06085	0.4
156.41475	0.5
161.02495	0.6
161.06027	0.8
163.04021	17.3
163.07603	0.5
191.05679	0.5
195.05058	0.7
205.05075	1.8
206.09459	0.6
276.26489	0.5
369.30573	0.5
395.01529	0.5
429.13803	38.8
430.13562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12054	3.3
51.64990	3.3
51.80094	3.4
57.03473	7.3
59.01388	62.0
71.01376	47.1
73.02959	17.5
75.00870	37.4
77.65061	3.8
81.03451	4.2
83.01382	4.6
85.02977	24.7
87.00871	6.6
89.02446	10.0
93.03455	6.4
97.02952	4.6
99.00908	7.0
101.02457	18.0
108.02193	95.0
109.02968	55.8
113.02467	24.0
119.05067	3.8
121.02988	20.3
129.01964	17.2
135.04558	8.9
147.04568	18.3
149.06107	5.1
152.01178	100.0
153.02002	33.1
153.09222	4.4
159.03015	6.4
161.02464	19.1
161.04604	7.4
165.05594	5.7
165.49991	3.9
167.40851	3.7
176.88515	4.4
177.04080	6.8
191.05669	8.3
193.78177	4.2
195.05128	72.2
197.08257	6.0
261.13339	5.9
278.09967	4.0
315.07306	97.0
350.28516	3.9
393.17853	41.5
429.10007	18.2
429.15576	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34795	0.7
59.01392	3.0
72.85235	0.6
87.00887	2.9
99.00891	1.5
99.92590	4.2
100.93365	9.8
106.15895	0.7
115.92078	100.0
116.92834	6.2
155.09601	0.8
172.95467	3.8
181.56267	0.7
221.08224	10.2
222.09016	2.9
229.05869	0.7
255.23299	1.1
354.06369	0.7
381.17648	0.8
429.19574	7.5
429.26471	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	429.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
67.54364	0.7
71.01395	9.6
85.02951	3.2
89.02451	14.7
101.02459	4.8
113.02452	1.3
119.03537	4.1
137.09756	3.5
143.03487	0.8
161.04539	1.4
161.49388	0.7
168.12587	0.8
179.05621	4.1
286.43967	0.8
386.73135	0.9
430.11310	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11696	0.2
58.26502	0.1
59.01390	11.4
63.35837	0.2
66.30991	0.2
68.60075	0.2
71.01393	1.3
82.66576	0.2
84.61690	0.2
89.02446	0.8
91.37866	0.2
101.02458	0.2
110.56248	0.2
117.03471	33.8
119.05025	5.7
121.02957	5.6
130.04280	0.2
131.05008	0.2
132.05800	0.3
133.06613	0.4
135.03487	0.3
135.04524	6.9
145.02972	100.0
146.03304	0.3
158.03780	0.3
159.04500	0.9
161.06105	0.8
163.04030	6.8
187.04030	2.8
195.18719	0.2
205.05276	0.2
216.17403	0.2
362.38223	0.2
429.11856	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69759	0.1
52.34276	0.1
54.82638	0.1
57.73721	0.1
58.45988	0.1
59.01381	1.6
59.53561	0.1
60.20635	0.1
61.59602	0.1
71.01390	0.3
93.03442	0.4
112.42346	0.1
113.17773	0.2
117.03481	0.2
119.05032	100.0
120.05375	0.4
121.02966	0.9
129.18983	0.1
140.32730	0.2
145.02942	0.2
161.06107	0.2
163.04025	42.1
164.04411	0.1
177.05588	0.3
429.21469	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	80.8
61.98853	6.3
71.01382	5.3
91.03994	5.6
112.91521	4.7
118.99783	4.6
133.98238	4.8
134.14198	5.0
141.02983	5.2
156.68961	5.1
161.10796	5.2
183.31079	5.2
220.14711	10.9
221.15488	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	428.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81972	0.2
59.01382	2.3
60.01710	0.3
61.01821	0.4
61.98838	100.0
65.24809	0.3
103.67838	0.3
126.04742	0.3
128.46600	0.3
191.95636	0.3
373.13684	0.3
384.50430	0.3
385.97818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51831	0.5
51.70454	0.5
55.91352	0.5
59.01384	0.7
60.41586	0.5
61.98834	100.0
88.71808	0.5
119.03630	0.6
127.95826	0.6
155.23686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96341	0.8
58.75217	0.9
59.01390	100.0
61.68176	1.0
61.98833	1.2
66.92795	0.8
69.56410	0.9
163.23256	0.9
230.18333	1.0
245.98485	1.1
275.20178	3.5
293.21204	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	427.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45818	0.7
57.69899	0.7
59.01386	100.0
61.98825	0.9
62.14722	0.7
75.11584	0.8
85.54974	0.9
87.19855	0.9
89.94955	0.8
91.03970	1.0
104.75159	0.9
133.59250	0.8
150.00381	0.9
150.60364	0.9
235.16965	3.9
253.86427	0.9
275.20190	7.2
283.91977	0.8
293.21210	4.5
430.39716	0.8
438.52856	0.9
444.31546	0.9
449.74072	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51441	15.0
54.12510	16.5
56.28865	17.2
59.01386	100.0
60.43372	16.7
64.66640	14.9
65.24332	15.5
69.94794	14.8
77.39418	14.8
85.70561	18.4
95.37206	17.9
192.61259	19.3
375.53317	21.1
410.41821	18.6
427.27426	40.8
452.32184	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60486	1.4
57.48971	1.3
58.38257	1.6
59.01389	100.0
61.98866	1.7
65.15593	1.4
65.60431	1.6
88.70336	1.8
99.53410	1.7
104.20895	1.5
110.90955	1.6
116.92900	1.5
117.60610	1.6
141.67087	1.7
235.32578	1.8
249.00266	1.6
291.16010	1.7
330.05618	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68670	0.2
59.01389	100.0
61.98857	0.4
65.64828	0.3
91.04006	1.9
116.92853	0.6
117.92818	0.3
171.10237	0.4
177.67410	0.3
183.35129	0.3
205.45036	0.3
212.57233	0.3
255.23112	0.3
271.41891	0.3
275.20178	1.6
293.18338	0.5
293.21317	10.6
432.31812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20443	0.9
59.01384	100.0
61.98842	1.3
66.45422	0.9
66.96555	1.0
72.69117	0.9
105.03404	1.0
116.92860	3.9
127.34831	1.1
130.18007	1.1
151.32706	1.2
181.55856	0.9
211.86855	0.9
257.17398	1.2
274.49634	1.1
277.22235	1.0
293.21118	1.9
296.70691	1.1
425.02151	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64687	0.6
55.04055	0.7
59.01387	100.0
61.39166	0.6
61.42286	0.8
71.01384	5.9
85.02940	0.9
89.02451	1.3
100.50144	0.7
101.02446	2.7
112.44279	0.7
119.03501	1.0
121.02960	91.2
125.02428	1.7
125.06100	0.8
135.04530	82.6
143.07141	4.6
143.59706	0.9
163.04019	9.6
168.00583	1.0
183.14023	0.7
193.05051	1.0
208.16626	0.7
223.06084	2.9
318.88467	0.8
361.22946	0.8
427.16238	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1616
Annotation	Rosavin
Peak:m/z	Relative Intensity
55.01887	1.9
57.26542	1.7
59.01387	95.4
69.03463	5.0
71.01386	91.5
72.99310	2.5
73.02947	16.4
74.26411	2.0
81.03488	2.5
83.01410	10.8
85.02948	15.5
89.02444	92.1
95.01383	2.7
97.02939	15.8
99.00877	19.3
99.04499	2.6
101.02477	18.9
104.73434	1.9
108.11145	1.8
113.02457	8.5
115.04013	11.3
121.02965	3.7
121.59337	2.4
125.02448	41.5
125.03298	2.7
126.32920	2.2
127.04118	2.4
131.03528	4.0
132.02202	14.4
133.06602	100.0
134.03734	12.1
143.03470	2.6
149.04573	7.4
160.01677	66.2
175.04031	55.8
179.10773	3.8
191.05579	7.8
193.05132	4.0
233.06754	33.5
293.08868	29.8
311.11172	2.3
427.11414	3.0
427.16241	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28541	0.3
57.70686	0.3
59.01386	100.0
59.84864	0.3
64.82634	0.3
67.89230	0.3
71.01380	1.4
79.96147	0.3
85.02941	0.6
92.10073	0.8
113.02468	0.4
121.02963	13.3
132.02200	1.5
133.02997	0.5
134.03760	1.9
135.04514	0.4
137.28380	0.4
160.01678	9.7
175.04031	10.6
192.89560	0.4
193.05045	0.6
211.07523	0.5
279.64560	0.4
280.71216	0.3
292.60693	0.4
301.75488	0.4
426.88998	0.4
427.16229	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	425.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83225	0.5
55.09959	0.4
59.01387	100.0
61.15154	0.4
61.98863	0.5
66.24781	0.6
92.10126	1.2
121.02990	4.3
153.88953	0.5
192.27676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83020	16.1
59.01398	86.9
61.98850	100.0
62.65157	18.9
69.77903	19.1
85.73750	20.0
96.96034	26.0
128.76569	22.3
145.02867	21.9
180.18817	20.0
198.27974	22.3
236.54932	21.6
245.06058	22.0
249.83304	19.6
251.41594	21.0
251.74438	22.1
277.72574	22.3
294.20377	22.0
306.07394	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01152	2.3
51.36722	2.3
52.48590	3.1
59.01387	100.0
63.13247	3.1
74.16830	2.9
75.45992	2.8
92.10830	5.7
121.02866	3.8
149.01215	2.8
193.93672	3.8
315.50586	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	425.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44308	2.1
53.57639	2.3
59.01393	100.0
60.14923	2.1
61.39400	2.5
61.98838	16.4
71.01390	47.4
72.99329	10.4
73.02962	3.9
75.00874	2.9
78.95888	2.4
85.02970	14.9
87.00900	3.6
89.02439	42.1
95.01385	3.7
96.96004	27.5
97.06599	2.3
98.95585	3.5
101.02447	29.0
105.05625	2.6
111.00842	2.8
113.02451	19.0
116.92893	9.4
119.03497	17.4
159.18216	2.4
161.04602	4.8
179.05605	20.8
184.20180	2.5
191.05602	4.3
203.12924	6.0
236.02055	2.9
318.40942	2.9
365.14218	3.0
365.18259	50.6
425.12137	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	425.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64828	0.7
55.01870	0.8
59.01391	12.1
61.98846	9.7
68.99838	3.5
71.01382	5.9
71.16744	0.8
73.02954	1.0
75.00893	3.9
83.01432	1.4
84.95225	0.7
85.02983	3.8
87.00880	1.5
88.98833	2.0
89.02460	1.4
93.03488	1.6
96.96040	1.4
97.02951	100.0
99.00867	1.3
101.02464	1.9
101.06084	7.0
108.02211	1.2
113.02473	0.9
119.05029	1.4
121.02969	9.0
129.05626	1.3
135.03012	6.7
135.04539	5.9
136.04874	1.2
141.01953	34.1
141.02994	1.3
145.02962	1.1
148.49893	1.1
155.10866	0.9
161.46449	0.7
163.04214	1.0
187.07687	1.4
191.05627	7.0
224.06960	1.3
306.31857	0.9
365.21881	1.5
370.57172	0.8
407.95279	0.9
425.18701	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
57.03452	1.5
59.01393	18.5
60.99328	0.9
61.98834	1.7
62.05233	0.8
63.37982	1.0
67.01897	1.9
67.29103	0.7
69.03449	7.4
71.01389	4.9
73.02953	1.4
75.00880	1.4
81.03468	4.1
83.01408	3.3
85.02980	3.8
88.98815	3.9
92.10113	1.6
93.03419	1.8
95.01392	1.4
96.96022	1.8
97.02964	9.2
99.00892	0.8
99.04503	1.0
101.02470	2.0
103.74306	0.8
107.01412	1.6
108.02187	2.0
108.50756	0.8
109.02981	3.7
110.60744	0.8
111.00893	11.0
113.02464	1.8
119.05032	14.7
121.02955	4.6
122.78365	0.9
123.00904	11.7
123.04510	1.3
124.01670	37.5
124.06571	0.8
125.02451	85.4
133.02948	9.2
135.03021	3.4
135.04518	3.9
137.02461	5.7
149.99603	57.6
151.00375	4.4
161.02469	24.1
161.04556	1.9
163.04028	8.4
168.00656	92.0
169.01428	7.2
191.05643	5.5
195.53612	0.7
313.05667	4.8
365.21878	8.2
406.61691	0.9
407.06415	6.6
425.07361	100.0
425.14316	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	425.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49656	0.6
55.01888	0.6
57.03459	1.3
59.01395	15.1
61.98817	0.6
63.74436	0.6
68.99838	5.3
69.03468	1.1
71.01392	4.2
72.99316	1.2
73.02932	0.9
75.00882	0.9
83.01395	1.1
84.21678	0.6
85.02970	6.6
87.00873	3.0
95.01385	2.6
96.96009	1.1
97.02950	17.4
97.26427	0.8
99.00865	3.8
101.02438	1.1
101.06097	0.9
101.34572	0.6
107.05022	0.8
109.02911	0.9
111.00915	2.5
112.98804	0.9
113.02467	5.8
113.98926	0.8
113.99606	12.9
115.00393	7.0
121.02962	84.1
127.00369	2.9
129.01894	1.3
133.02930	1.7
134.03752	5.7
135.02968	1.6
135.04543	12.7
137.02437	5.6
138.01257	0.6
139.03995	1.4
141.01952	5.7
149.06117	1.1
157.01396	1.6
158.02223	36.4
159.02928	4.7
160.26340	0.8
163.04013	0.8
179.03539	6.4
191.05627	1.4
193.32019	0.7
303.07336	1.2
381.08286	7.9
425.10785	100.0
426.11008	1.7
431.82507	0.8
437.85260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33653	2.7
55.01901	6.7
57.03454	12.5
59.01387	100.0
71.01381	60.1
72.99330	3.4
73.02950	28.2
75.00861	3.0
83.01412	20.4
84.97100	3.1
85.02948	36.7
89.02468	13.9
93.03465	4.0
94.54256	2.7
99.00880	13.3
101.02440	71.7
103.68615	3.1
108.02151	3.5
113.02475	20.7
115.89535	3.5
121.02998	7.0
137.02531	4.0
161.04582	13.0
173.04666	5.3
191.05615	4.0
223.03293	3.3
291.18234	58.1
423.22424	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3273
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
54.27846	0.3
54.28173	0.3
67.32818	0.3
75.14386	0.3
79.00909	0.3
94.30060	0.4
101.01963	0.4
111.08145	2.4
154.75702	0.3
202.23854	0.3
205.16000	100.0
206.16309	0.8
207.19173	0.4
291.88699	0.4
347.44095	0.4
423.32761	50.1
424.32639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45171	2.7
55.00616	2.7
56.03084	3.0
59.01394	5.0
61.98841	49.6
76.57911	3.5
82.95438	14.8
84.00913	100.0
84.84927	3.3
99.92591	29.3
125.98109	13.4
141.93625	5.5
144.40576	3.6
184.02322	4.3
193.76245	3.8
215.75856	3.7
222.88396	4.2
339.29111	4.5
399.25073	3.8
424.26904	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	423.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	100.0
59.60714	19.4
61.98866	25.8
89.00301	20.5
92.65678	18.4
96.42319	21.0
96.46124	20.8
108.22525	21.0
127.53091	18.4
149.43915	18.2
153.62370	21.7
155.82072	20.2
164.51953	21.2
170.24324	21.2
173.04607	23.4
298.75528	21.6
407.89337	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	423.1799
Annotation	DIHYDROMUNDULETONE
Peak:m/z	Relative Intensity
52.72143	5.2
54.73288	4.6
59.01400	40.0
59.10062	5.1
59.67781	5.1
60.63734	5.3
71.01401	5.5
81.88036	5.6
90.82790	5.6
122.72977	5.7
202.47023	7.1
245.21902	6.1
363.20352	8.6
423.17957	100.0
445.18854	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	423.1799
Annotation	DIHYDROMUNDULETONE
Peak:m/z	Relative Intensity
59.01405	42.8
60.55518	6.7
61.34406	6.2
65.78987	7.8
75.89933	7.3
85.17790	8.0
87.43502	6.7
93.03457	10.5
95.01375	10.8
117.53708	7.6
120.53265	6.9
121.02982	8.0
128.41667	6.9
137.02458	13.6
166.24770	6.9
187.07558	8.0
191.05692	10.5
202.31361	7.9
207.27144	7.2
423.18045	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	423.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
66.15456	4.6
69.53962	4.7
71.01385	93.3
71.01740	7.1
73.02929	6.5
83.01412	6.0
83.95837	4.4
84.82385	3.9
85.02967	26.0
87.00871	6.1
89.02460	53.1
91.86679	4.4
96.31436	5.1
99.00936	4.9
101.02446	45.8
108.39016	4.6
113.02479	28.6
119.03457	17.9
122.98779	4.7
143.03557	7.2
152.93289	3.9
161.04576	17.5
163.04111	4.4
170.94977	4.6
176.27652	4.9
179.05585	32.9
191.05685	8.5
423.18423	20.7
440.08554	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	421.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82634	12.9
56.91000	14.5
59.01389	100.0
61.98837	22.2
81.01468	14.8
177.52882	16.9
199.88252	15.9
209.91212	19.9
249.35088	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	421.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88742	46.2
56.35763	53.4
56.48563	56.2
72.45178	55.4
78.68555	56.0
143.56213	69.3
194.45976	60.3
214.04846	64.3
221.98476	56.1
223.36755	60.8
255.23332	100.0
260.64496	61.9
339.19839	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
77.85251	0.2
80.11136	0.2
80.91701	1.1
103.54510	0.2
115.66690	0.2
138.86562	0.2
163.11313	100.0
164.11636	0.8
339.23370	46.5
340.23764	0.3
396.43423	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83322	2.7
59.01388	3.9
61.98832	6.5
63.63005	2.8
77.99153	2.7
78.95900	43.2
106.70872	3.4
110.98534	77.9
131.20085	3.2
152.99631	5.0
185.02213	100.0
192.81876	3.2
223.21364	3.0
253.21701	20.9
421.23398	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	421.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01908	0.7
57.03453	7.8
59.01385	46.5
60.99306	0.7
69.03467	4.0
71.01380	17.3
71.42782	0.7
71.62033	0.7
72.99316	3.2
73.02950	1.8
75.00872	19.2
83.01384	1.5
84.02177	1.2
85.02946	16.3
87.00878	9.7
88.98785	1.7
89.02442	5.2
91.40510	0.7
92.46935	0.7
93.03462	3.0
97.02957	3.7
97.23077	0.7
99.00889	7.0
101.02478	1.4
109.03089	0.9
111.00886	1.0
113.02478	0.9
116.27326	0.7
129.01941	12.5
135.04521	4.5
137.30504	0.7
139.11310	24.0
141.01978	1.8
155.10764	3.4
159.02953	1.2
160.33658	0.7
165.09277	1.0
171.10381	1.1
173.04593	3.1
176.04080	1.2
177.02495	1.8
177.04060	54.9
179.03488	1.7
181.12344	12.5
183.10286	24.9
191.05690	1.7
195.05156	1.0
199.13412	5.9
217.10785	1.2
225.11377	9.4
243.12389	25.5
285.13403	3.9
345.15717	1.4
361.15179	1.2
403.16165	14.0
421.17230	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	90.6
64.78793	5.8
71.01378	9.5
71.05005	7.6
89.02478	23.5
114.87871	5.5
146.08244	77.4
163.46921	5.3
217.11873	9.2
277.09686	8.0
277.12225	57.3
288.73022	5.9
421.16437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13120	5.6
59.01391	65.2
70.85267	5.6
71.01411	33.0
71.51424	5.2
75.21248	6.6
81.19764	6.7
89.02460	14.9
101.02451	7.8
126.83183	6.3
258.62848	6.7
291.42813	7.8
361.18945	9.1
379.19022	6.5
421.16376	100.0
441.39777	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	421.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65018	4.3
54.83454	4.4
59.01389	100.0
61.98834	6.6
71.01389	20.7
75.00890	33.1
79.20278	4.3
79.51768	4.2
84.70838	4.4
85.02964	11.1
85.62525	4.7
87.00919	8.5
88.98799	8.7
89.02463	7.4
93.03474	9.9
105.65363	5.4
115.14491	5.0
121.02988	21.0
129.01945	6.8
135.04533	5.4
137.02400	6.2
177.04065	38.0
181.12364	9.7
186.78418	5.1
187.82541	5.4
191.05563	35.0
199.13441	27.9
236.44196	5.0
243.12378	23.4
403.16068	11.4
421.17026	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81868	4.8
59.01393	34.8
71.01399	7.2
75.00903	4.9
87.17359	4.9
93.24350	5.4
105.14380	6.1
108.02171	100.0
109.01852	5.4
109.02411	22.6
109.02979	37.9
110.03273	24.2
117.48999	5.4
122.02441	8.2
126.46416	4.9
152.01147	54.1
153.01782	33.3
154.02309	9.3
184.73868	5.4
256.43472	5.1
335.53653	5.6
421.09720	79.0
421.16364	88.1
442.17374	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	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55008	3.2
57.03466	7.1
59.01389	100.0
61.98847	8.3
70.67812	3.4
71.01389	24.4
74.93254	3.4
75.00886	17.9
83.54862	3.9
85.02969	20.7
87.00906	7.3
88.98828	9.4
89.02448	4.5
93.03507	6.3
99.00913	6.3
101.02426	4.7
116.92887	3.6
121.02977	17.0
129.01970	6.2
129.30527	3.9
135.04482	4.4
137.02449	4.5
139.11322	6.3
177.04060	51.5
181.12341	17.5
183.10313	6.5
190.00778	4.7
191.05669	40.9
192.06149	4.9
227.07079	5.9
243.12416	24.8
250.60223	4.4
288.85889	4.5
304.49741	5.4
338.91681	5.0
403.16183	7.5
421.16870	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.9638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.2
59.83581	0.2
61.87662	0.2
76.58246	0.2
77.98438	0.2
78.95921	0.4
80.38218	0.2
96.96020	0.5
98.46642	0.2
107.64983	0.2
121.18941	0.2
131.80780	0.2
134.96107	2.3
134.97070	1.3
136.36147	0.2
136.94020	78.2
136.96808	1.3
137.94090	1.6
151.92711	0.6
154.95146	0.3
165.63173	0.2
178.95088	47.9
179.95232	0.5
190.97279	2.1
192.95135	4.0
194.93106	7.7
196.96089	1.0
198.90640	0.3
203.52884	0.3
218.93146	1.3
234.96213	12.9
236.94150	55.0
237.94176	1.2
240.91539	0.4
247.87152	3.7
248.37209	4.0
248.87102	5.5
249.37109	2.5
276.98209	0.3
278.95212	100.0
279.95346	2.6
319.37866	0.5
319.87784	1.3
320.37576	0.4
334.87335	0.3
336.94510	0.3
378.81326	1.5
378.95432	0.5
391.30670	0.3
391.38641	0.2
420.82269	0.6
420.96426	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	421.1149
Annotation	Amburoside A
Peak:m/z	Relative Intensity
53.91085	0.3
57.03467	0.5
59.01395	15.3
59.01693	0.6
67.01907	0.6
71.01387	3.7
71.05355	0.4
73.02951	1.3
75.00874	1.4
79.21426	0.4
85.02973	2.4
87.00891	0.7
88.98814	2.5
89.02457	1.6
89.31071	0.3
91.01888	2.7
92.10860	0.3
93.03461	33.9
99.00854	0.4
101.02460	2.1
104.92883	0.3
108.02173	0.7
109.03003	0.5
112.05339	0.4
113.02485	0.8
117.43056	0.4
119.03500	0.3
121.02958	100.0
122.03291	0.5
135.00877	0.8
135.04514	2.1
145.03015	0.4
153.01967	0.5
157.53709	0.4
161.04587	0.7
161.23410	0.4
165.01932	2.0
169.06642	3.2
177.04042	1.5
179.03603	0.4
181.12289	0.5
182.53262	0.4
184.05333	2.7
191.05629	1.6
195.04944	0.7
197.06151	2.3
199.07664	0.6
211.04004	5.5
212.04863	1.5
213.05606	3.5
215.07143	5.9
225.60486	0.4
227.03548	0.6
239.03557	0.7
240.04253	1.8
241.05109	12.0
243.12413	0.6
257.04736	0.6
258.05392	6.5
259.06104	2.6
263.03531	0.5
279.15393	0.3
304.71799	0.4
311.63257	0.4
311.98663	0.4
343.08450	0.9
361.18594	1.6
364.59839	0.4
403.10480	5.9
403.15973	0.5
421.11520	67.1
422.11597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	11.7
60.01727	0.5
61.98832	0.9
67.21746	0.4
71.01373	0.6
81.03456	0.5
88.98811	2.1
91.01887	0.4
93.03440	0.5
101.02467	0.5
108.02188	26.7
109.02963	100.0
116.45331	0.4
122.02492	24.3
123.00902	2.1
151.04071	0.5
152.01173	21.5
153.01961	61.0
155.10789	0.5
179.26596	0.4
191.05672	0.8
201.79482	0.4
237.85283	0.4
292.10355	0.4
297.06177	1.7
420.09479	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	14.2
60.01722	3.3
61.01812	2.6
61.98836	100.0
65.64989	0.4
68.38857	0.4
73.41743	0.4
78.47205	0.4
136.05276	0.6
168.29262	0.4
230.37413	0.5
324.43805	0.5
391.10901	0.5
420.35788	1.7
426.33713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.66901	18.8
61.98826	26.0
63.89332	19.7
66.18160	18.4
71.17830	18.4
87.00909	24.6
93.03484	27.6
100.71409	20.7
104.66338	20.4
108.02201	24.9
118.94753	18.1
121.02888	24.5
152.01186	34.8
160.90210	20.1
188.90154	21.7
196.82716	26.1
255.74203	24.3
398.74310	20.2
409.71426	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	419.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88643	18.3
58.32915	19.4
59.01396	100.0
61.98859	35.0
79.53970	26.3
105.04013	22.0
108.02192	34.4
109.37968	23.7
158.82254	23.9
367.13498	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95413	1.2
74.35672	1.3
121.02929	7.6
122.03732	3.4
127.13898	1.4
135.04483	1.5
136.05305	48.3
151.07658	100.0
186.16841	1.4
236.12962	1.5
373.28070	1.5
419.35352	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
57.03448	0.7
59.01388	100.0
60.22042	0.5
61.36479	0.5
61.98843	0.7
71.01389	12.1
73.02965	3.4
75.00922	0.8
75.64608	0.5
83.01414	0.9
85.02977	4.3
87.00897	1.2
89.02454	2.4
93.03475	2.3
99.00886	0.7
101.02460	6.0
103.60041	0.7
108.02158	0.8
109.02946	5.0
113.02440	2.4
115.00389	1.1
115.31734	0.6
118.69669	0.6
119.03499	0.8
121.02962	3.3
125.09716	0.5
129.01939	0.6
138.12967	0.6
143.03505	0.6
147.17760	0.7
153.01944	2.5
155.10791	10.0
159.03136	0.8
161.04581	3.0
171.10265	2.4
191.05591	2.5
195.05093	0.9
197.11859	1.1
199.09758	2.4
217.10872	8.6
225.29814	0.7
240.90924	0.6
259.11920	6.4
282.40515	0.6
301.48184	0.7
359.13171	1.3
419.15491	2.5
420.09219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54125	1.3
56.16970	1.5
56.54205	1.4
57.03463	1.9
58.46977	1.9
59.01388	30.8
60.59355	1.3
60.85647	1.3
71.01385	7.0
74.20212	1.4
75.00890	7.6
80.70931	1.5
85.02976	5.9
87.00891	6.6
89.02460	2.0
93.03446	6.4
102.79118	1.4
102.97514	1.4
103.00385	1.9
109.02959	3.5
113.02476	1.9
119.05013	2.0
121.02977	8.5
124.01670	6.0
129.01999	2.6
135.04504	2.1
137.02451	3.2
137.09770	2.0
138.03273	1.6
139.04007	11.0
147.39561	1.4
155.10811	9.1
159.02768	1.5
173.04543	2.0
174.03172	1.6
175.04004	3.1
177.04080	8.2
189.05615	1.8
191.05669	7.6
197.11743	2.2
199.09798	2.2
205.05150	2.2
217.10880	3.4
221.08258	7.3
243.12440	2.0
259.11966	2.8
267.06726	1.9
271.02420	1.9
280.03787	2.1
281.04538	7.0
297.04117	3.4
298.04919	9.0
300.06583	1.9
301.07242	8.0
311.05606	3.1
312.06461	6.5
313.07242	26.8
326.08057	3.8
327.08871	19.4
328.06012	2.1
329.06738	17.4
329.10294	4.0
343.08267	14.8
344.08984	26.8
358.10645	55.4
358.14749	3.0
359.11441	94.1
373.13004	82.0
389.12595	18.7
404.14798	62.0
404.20245	2.0
419.17154	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	419.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43138	0.7
57.03470	1.5
59.01390	100.0
60.99280	0.9
61.98841	1.6
71.01394	39.8
73.02965	1.3
83.01418	1.4
85.02962	9.7
87.00894	1.4
88.53314	1.0
88.98830	5.0
89.02457	52.8
95.01398	3.8
96.96016	16.4
96.96988	1.0
101.02454	21.9
106.60690	1.0
113.02453	16.8
114.40750	1.1
119.03497	23.4
121.02974	1.5
122.02530	1.3
123.02717	1.0
130.01518	0.9
131.03537	1.6
133.58510	1.0
134.03738	1.1
135.04533	1.7
143.03520	5.3
149.02457	4.9
149.04530	1.3
155.43654	1.0
161.04646	1.7
164.04810	30.6
179.05609	9.9
179.07159	28.4
182.05836	4.2
191.05682	1.8
197.08223	1.6
225.49139	0.9
305.15582	1.0
359.13559	5.1
434.36765	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15572	0.8
59.01387	100.0
71.01392	6.9
73.02962	1.2
78.95922	4.6
85.02946	1.4
87.00881	1.1
88.98862	1.6
89.02467	4.4
93.03516	1.4
96.95373	1.5
96.96010	45.3
96.96928	6.3
101.02425	2.1
106.04782	0.9
113.02489	1.4
116.92863	4.8
119.03513	1.2
119.15073	0.8
121.02956	21.3
123.02785	1.0
137.02454	5.0
153.01961	5.8
158.81117	0.9
164.04800	65.9
168.04326	3.4
179.07143	35.1
191.05672	1.2
195.02676	0.9
197.08218	23.2
331.10373	1.5
359.13861	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
59.45659	0.2
60.74855	0.2
61.98843	0.1
67.07234	0.1
71.01405	0.2
81.03471	0.2
85.02966	0.2
93.03469	0.7
95.05035	1.2
101.02473	0.2
108.02187	2.0
109.02977	1.3
121.02960	7.7
122.03300	1.5
122.03865	0.5
123.04531	100.0
124.04850	0.7
125.19920	0.1
133.06650	0.3
135.03033	0.2
140.40454	0.2
152.01180	0.9
153.05595	83.5
154.05957	0.3
157.70135	0.2
159.14737	0.2
175.20660	0.2
178.99837	0.7
197.01007	0.3
307.60913	0.2
350.77414	0.2
419.09378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0991
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
50.09215	0.4
57.27659	0.4
71.17429	0.4
81.03455	0.6
108.02183	100.0
109.02966	14.8
121.02946	4.5
123.04526	0.6
138.18266	0.5
139.19601	0.5
151.04001	0.6
152.01170	46.4
153.01958	10.0
161.33144	0.5
231.60858	0.5
419.09937	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	419.099
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
59.01379	2.2
69.03461	0.3
71.01369	0.5
73.02943	0.2
75.00861	0.2
78.96329	0.2
81.03472	0.5
85.02974	1.5
87.00890	0.3
89.02428	0.3
92.10777	0.4
93.03446	1.4
95.01370	0.3
95.63897	0.2
97.02925	0.2
107.05053	0.3
108.02183	100.0
109.02967	11.3
109.04108	0.3
113.02386	0.3
121.02955	19.2
123.00821	0.3
135.04512	1.0
137.02435	1.4
151.00334	0.2
151.04117	0.4
152.01170	51.1
153.01959	5.9
155.10756	0.4
163.04025	0.5
177.01834	0.2
191.05621	1.4
195.02863	0.3
199.47995	0.4
211.81627	0.2
228.34962	0.2
257.13992	0.5
271.94501	0.3
297.06219	20.6
366.40637	0.2
419.09940	37.2
419.19205	1.8
420.09930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51252	0.2
54.54600	0.2
59.01394	3.3
61.98830	0.3
65.03968	9.1
67.01900	3.9
71.01395	0.3
91.01926	0.4
92.10107	0.2
93.03470	0.5
108.02192	2.9
109.02963	100.0
119.05090	0.3
121.02959	5.8
135.00897	6.1
152.01176	1.3
153.01956	44.7
160.43857	0.2
197.11905	0.8
257.14923	0.2
376.52313	0.2
419.09940	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	419.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73405	0.4
56.01332	0.3
59.01395	100.0
59.14359	0.3
85.02982	0.4
93.03457	24.5
108.02209	1.8
109.02991	0.7
119.21253	0.4
121.02977	4.6
152.01212	0.6
154.01456	0.8
173.24908	0.4
191.05725	0.5
199.40381	0.4
238.00452	0.4
404.92258	0.4
406.20007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68352	0.9
59.01388	79.7
66.48096	1.0
71.01395	2.0
72.99323	2.0
75.00875	31.9
89.02471	5.9
93.03458	12.1
108.02205	6.7
109.02975	4.6
110.53584	1.3
117.01951	1.4
121.02958	2.1
135.03008	100.0
137.02451	13.1
137.49048	1.3
148.64902	1.1
149.06096	2.4
152.01216	1.7
153.02007	1.8
153.49225	1.0
169.06630	1.4
175.18677	1.3
182.07414	11.7
195.08150	2.0
196.08919	1.7
197.09752	87.1
211.11307	8.9
213.12695	1.2
227.10838	2.3
245.11899	2.1
257.11972	2.4
279.56039	1.0
301.10880	63.8
345.63864	1.2
419.13806	17.7
431.55420	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	6.6
57.08746	5.5
59.01385	100.0
61.98832	10.1
68.99583	7.0
71.01392	39.0
73.02979	10.2
75.26082	6.3
78.91872	8.8
85.02955	14.9
87.00843	7.2
89.02451	32.6
93.03458	38.0
96.96015	99.4
99.00919	9.3
101.02470	8.1
108.95734	7.8
112.98766	31.3
113.02450	13.2
119.03421	8.3
119.05046	40.7
125.02467	15.0
134.15303	7.6
137.02440	47.9
159.86836	7.3
163.04016	27.3
164.04776	13.3
173.00838	7.1
179.07169	30.6
185.02168	13.2
191.05641	30.5
201.13850	9.2
202.43127	7.5
351.96838	7.4
359.07605	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36945	2.8
54.82402	2.9
59.01391	48.4
61.98866	4.4
68.37246	3.0
68.99580	3.3
71.01393	16.6
71.13268	3.0
73.02952	6.0
74.43082	2.7
80.64021	2.6
83.01408	2.9
85.02969	5.1
86.33594	2.7
87.00883	4.8
89.02451	4.6
92.10189	4.7
93.03480	16.0
96.96016	100.0
96.96976	7.2
101.02472	6.9
104.48588	2.9
107.82385	3.0
109.02987	4.0
109.64636	3.4
111.43642	2.9
112.98790	17.5
119.05044	4.9
121.02911	4.2
121.06679	3.6
129.05621	3.5
131.54831	3.4
137.02441	22.1
149.06110	49.3
150.06856	7.0
163.04022	31.6
164.04793	37.0
173.00940	13.2
178.06381	12.7
179.07138	36.1
187.47461	3.6
191.05698	3.4
196.07486	3.5
197.08228	15.4
213.05815	4.1
254.02991	3.4
278.53125	3.1
341.12567	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	417.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14766	17.4
55.36183	17.6
59.01392	100.0
60.21246	23.0
69.32637	24.7
75.87092	20.6
75.90764	19.6
106.04331	23.5
121.02982	50.3
154.85323	20.7
431.92615	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	417.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61857	12.0
52.97794	10.9
52.99226	12.3
59.01397	100.0
61.98869	14.4
62.76973	11.3
80.45969	13.7
80.51051	16.7
84.33785	13.3
89.45786	12.3
92.10147	28.2
117.60818	12.4
121.02964	27.0
145.88669	13.8
170.54108	14.0
273.72739	15.3
388.77197	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	417.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98827	1.8
76.58436	1.8
106.50673	1.6
158.36739	1.6
162.83910	2.7
181.16508	1.5
294.85516	1.7
332.99780	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	417.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14878	0.4
55.65887	0.4
56.37150	0.3
59.01387	100.0
59.32484	0.4
59.64333	0.4
83.77311	0.4
146.47337	0.6
180.00124	0.5
205.51982	0.5
209.21558	0.5
241.39052	0.5
392.04938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50103	0.2
59.01392	3.6
62.60289	0.3
63.41826	0.2
71.01400	1.3
75.50282	0.2
78.03510	0.4
78.80360	0.2
85.02960	0.4
93.03469	0.3
101.02450	0.3
101.84674	0.3
107.02069	0.2
119.04983	0.3
121.02967	7.8
122.02489	100.0
123.02815	0.3
136.04051	0.6
173.04680	0.4
191.05571	0.6
199.78157	0.3
212.04790	0.5
279.61755	0.3
280.16397	0.3
418.11676	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	418.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04442	0.6
54.16300	0.6
59.01404	4.3
61.98839	100.0
65.56275	0.7
99.61633	0.7
162.83942	1.0
203.53917	0.9
244.97751	1.1
311.33664	0.8
317.55417	1.0
321.68161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
56.87992	0.4
59.01394	6.8
61.98854	0.4
62.92079	0.4
64.23560	0.4
66.41465	0.4
71.01396	7.7
73.02974	0.8
85.02973	0.8
89.02473	2.9
98.98699	0.5
101.02461	3.0
113.02502	0.7
119.03534	0.7
121.02965	100.0
133.05049	1.0
135.04536	43.1
151.06140	4.0
161.04506	0.9
163.04016	4.7
163.91660	0.5
207.03973	0.5
223.06175	0.9
271.51135	0.5
283.08319	0.5
295.10382	7.2
417.14081	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17977	0.5
59.01385	9.4
71.01381	9.9
73.02985	1.4
77.29054	0.6
85.02960	1.4
87.00899	0.8
89.02438	5.0
89.31274	0.7
93.03471	1.0
99.00916	0.9
101.02474	2.6
113.02448	1.1
116.92874	0.9
121.02957	100.0
135.04535	31.7
137.02512	1.1
148.25061	0.7
151.06129	17.5
163.03996	3.0
192.97926	0.6
295.10440	3.5
417.13876	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	417.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82677	0.6
55.82989	0.5
59.01388	48.2
61.98841	2.3
71.01382	1.1
72.99323	0.5
82.89511	0.5
85.02976	0.5
87.00880	0.6
89.02492	0.8
93.03467	3.5
96.96014	4.1
108.02209	2.2
116.92879	6.6
121.03043	0.6
122.03720	1.3
123.04544	1.1
125.02446	0.8
128.78725	0.5
134.59476	0.6
137.02429	6.3
150.03242	76.2
152.01158	2.0
165.05573	67.3
180.04300	20.1
191.05594	1.2
195.06647	100.0
264.09036	0.5
299.07718	0.6
311.71094	0.5
326.51343	0.6
417.10095	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35662	0.6
51.63538	0.5
51.86694	0.5
53.83820	0.6
55.01887	0.7
57.03463	0.9
58.00598	1.0
59.01389	100.0
71.01385	26.7
72.73389	0.6
73.02947	4.3
75.25700	0.6
83.01392	1.3
85.02953	9.2
87.00885	1.0
89.02446	25.0
95.01389	1.3
99.00915	1.0
101.02455	15.8
105.98316	0.7
113.02472	11.3
119.03528	9.8
121.02959	3.7
143.03432	1.5
159.02988	1.0
161.04588	13.8
176.40697	0.6
177.09270	3.1
179.05647	4.6
191.05595	1.2
195.10294	1.1
199.07938	0.6
305.13492	0.7
357.15640	25.0
417.17783	1.1
424.21545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97515	0.1
58.95527	0.1
59.01390	1.2
71.01379	0.4
72.99295	0.3
85.02966	0.3
92.10153	0.2
93.03481	0.3
121.02957	100.0
122.03289	1.0
135.04538	0.8
145.02946	0.7
151.04051	1.8
163.04065	0.2
165.05492	0.2
167.63853	0.2
205.04979	0.3
244.42761	0.2
417.11954	2.1
427.37402	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45432	0.3
92.10870	0.9
98.05377	0.4
121.02965	100.0
135.42194	0.4
136.13098	0.4
157.16914	0.4
193.95158	0.4
217.62021	0.5
272.06537	0.5
308.60541	0.5
417.12061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43843	0.2
51.65392	0.2
53.77257	0.2
59.01394	3.3
63.02414	2.7
63.05504	0.2
65.00338	13.8
65.00683	0.5
67.01909	0.3
71.01392	0.4
77.60870	0.3
83.01400	6.6
83.01882	0.3
85.02982	0.5
93.03444	0.4
96.82445	0.3
101.02454	0.2
107.01402	23.9
108.99332	0.4
109.03009	0.5
121.02959	7.3
125.02483	0.5
133.02956	1.4
136.01630	0.3
137.02489	0.4
141.07108	1.2
141.49239	0.3
143.05064	0.3
145.06607	3.3
149.02448	0.6
149.99588	1.3
151.00385	54.0
164.01112	0.5
169.01419	0.3
169.06613	2.3
171.04521	3.2
172.05231	0.3
177.01952	11.4
178.21190	0.3
183.08142	1.4
185.06096	1.6
187.07613	1.2
209.26207	0.3
211.07721	3.6
213.05632	10.2
227.07158	1.5
237.05431	0.3
240.04312	0.6
253.05136	0.6
254.05693	0.9
255.06659	100.0
256.06967	1.6
269.08102	0.4
279.06619	0.4
297.07736	2.4
417.11981	51.9
418.12344	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20368	0.2
57.03462	0.4
59.01389	4.4
60.46367	0.2
66.74014	0.2
71.01397	1.4
73.02924	0.3
75.82825	0.2
83.01402	0.3
85.02959	2.1
89.02473	0.5
92.10054	0.9
93.03468	0.5
103.13985	0.2
104.47699	0.3
113.02455	0.5
121.02962	100.0
122.03297	1.1
135.04546	0.4
140.03561	1.1
191.05568	0.5
227.03574	5.1
255.03067	6.8
284.03308	5.0
285.04031	1.6
350.87585	0.3
392.60858	0.3
417.07999	4.0
417.13190	0.4
417.21301	1.3
417.25394	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0835
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
59.01396	3.4
59.22775	0.4
72.17715	0.5
73.02950	0.5
85.02974	0.5
94.94417	0.5
97.78736	0.5
107.01353	0.6
117.03477	0.8
132.02237	0.5
135.00926	0.6
145.02953	2.0
151.00336	0.9
183.04553	1.8
211.04007	2.1
213.46661	0.5
227.03545	79.9
229.05070	1.9
255.03026	100.0
256.03729	8.5
260.07437	0.5
284.03311	78.7
285.04089	19.1
327.05084	0.6
339.21021	0.5
417.08365	70.7
418.08499	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96984	0.6
53.19736	0.6
53.36959	0.6
54.05273	0.6
55.01885	5.6
57.03456	17.9
59.01388	15.6
60.76920	0.7
64.35285	0.7
65.00326	0.8
71.01388	7.3
72.99335	3.9
73.02953	1.5
75.97156	0.8
76.58829	0.7
79.62106	0.8
83.01393	6.9
84.02190	1.3
85.02956	68.8
89.02436	1.0
93.03448	1.2
101.02445	1.5
105.61506	0.7
107.01429	2.9
108.02221	0.9
109.03007	1.1
109.28271	0.8
111.00908	9.7
119.05060	1.1
121.02965	100.0
124.20451	1.0
129.01959	14.8
131.05032	1.1
133.06606	6.8
135.04539	4.0
151.00417	6.9
152.01216	1.0
161.06067	6.3
165.12764	0.8
173.00946	4.0
173.04591	3.1
183.13901	4.1
189.05573	8.0
251.05669	7.7
255.06645	12.4
264.74734	1.0
295.04602	1.9
313.10867	0.8
417.12003	7.8
417.25195	1.9
425.21078	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63261	0.5
56.64059	0.6
57.03449	0.8
59.01388	7.0
59.06047	0.5
59.43151	0.5
60.99329	0.9
61.98839	17.5
67.01896	5.8
68.99586	1.3
69.03475	0.9
71.01373	5.6
71.15090	0.5
81.03487	0.8
83.62483	0.5
85.02960	12.0
87.00890	2.5
88.98828	0.9
89.02463	0.6
93.03458	31.0
101.02466	0.7
102.62811	0.7
107.05035	0.8
109.02970	1.4
111.00893	1.0
111.04509	8.4
112.98566	1.2
115.70002	0.6
121.02961	0.8
127.04008	3.8
127.59321	0.6
133.02983	0.9
134.03740	2.7
135.04535	90.6
137.02483	7.1
155.03488	4.6
161.02470	6.6
171.02904	0.8
173.04565	100.0
176.90405	0.6
179.03513	69.1
191.05640	75.9
192.05830	0.8
347.52200	0.6
353.08847	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	27.2
60.01722	3.0
61.01816	5.8
61.98836	100.0
96.58030	1.3
135.04510	2.5
149.70024	1.3
163.11302	9.8
164.08476	1.9
164.11595	6.4
165.08873	2.6
172.14957	1.4
177.09236	13.7
178.09656	10.6
179.10774	9.8
180.11096	8.3
298.15891	2.1
299.16037	8.4
337.21530	2.2
338.22141	16.8
340.20529	5.6
341.20877	27.6
355.22864	4.4
356.23221	29.8
416.32675	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.56411	0.5
81.66344	0.6
81.68304	0.5
85.59142	0.6
101.02480	0.7
122.76162	0.6
142.02907	0.6
142.56277	0.5
175.12584	0.6
187.84470	0.5
201.17039	0.6
280.18787	0.6
293.82120	0.6
385.43250	0.7
395.41248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30577	2.4
65.98215	2.6
72.99316	16.8
73.02963	12.6
75.00877	94.9
85.66138	2.5
101.79640	2.4
108.72782	2.5
176.33664	2.7
202.60442	2.6
228.36208	2.8
232.57623	2.5
269.86584	2.9
284.58417	2.5
342.18353	2.7
362.96823	3.0
415.34366	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	415.2343
Annotation	Atractyloside G
Peak:m/z	Relative Intensity
54.30985	0.8
55.01902	2.2
57.03472	2.0
59.01385	26.4
59.01662	1.6
61.98864	0.8
63.91107	0.8
64.00606	0.9
64.95435	0.7
71.01379	16.0
72.99345	1.0
73.02952	3.8
83.01408	4.5
83.95101	1.1
85.02970	6.2
86.86967	1.1
89.02460	4.7
92.91710	0.9
99.00898	1.2
101.02443	9.2
113.02464	4.9
121.02979	4.3
152.07048	1.0
211.07776	1.1
253.18095	9.8
270.16284	0.9
280.90955	0.9
415.23450	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	415.307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37904	0.4
59.01395	100.0
61.81578	0.3
66.28033	0.4
92.10109	0.8
106.43611	0.4
190.26044	0.4
226.28003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22270	5.8
59.01390	100.0
62.62858	5.0
71.01405	29.1
74.78017	5.2
85.02972	11.3
89.02454	31.9
101.02467	7.8
113.02507	12.4
119.04977	5.7
121.02962	27.1
123.90108	5.1
135.04500	8.7
137.09715	6.6
173.17497	4.9
191.05644	8.9
200.84052	5.0
242.56795	5.9
415.19623	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	415.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96405	0.4
55.48079	0.4
59.01386	1.0
65.95399	0.4
67.42027	0.5
69.57027	0.5
74.99106	5.8
76.58485	0.4
77.00666	65.8
82.68809	0.4
147.08189	2.3
149.09726	1.8
155.44739	0.5
161.09767	0.9
163.11288	3.2
187.11404	3.5
189.87050	0.5
192.07852	0.5
202.51422	0.5
279.13910	0.8
279.23370	0.9
307.17126	0.7
309.22333	2.3
337.21811	100.0
338.22186	1.1
415.23260	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	415.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03444	0.6
59.01386	100.0
60.26642	0.3
62.75365	0.3
69.71554	0.3
71.01385	6.0
73.02934	2.3
82.39277	0.3
83.01392	0.8
85.02950	3.9
87.00864	0.5
88.66032	0.3
89.02453	1.8
92.10844	0.6
97.02908	0.3
99.00876	0.5
101.02442	4.8
113.02440	2.2
119.03500	0.5
121.02957	57.5
161.04553	0.7
175.68201	0.4
188.29678	0.3
201.11121	0.3
253.31392	0.3
288.04239	0.3
348.01309	0.3
355.14053	1.8
415.18539	0.4
415.23505	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	415.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22272	0.7
53.30965	0.8
54.05564	0.7
59.01387	13.9
60.45065	0.6
69.03465	5.1
71.01391	1.1
73.83376	0.7
74.31300	0.7
81.03455	1.4
83.01409	3.2
89.02447	2.0
92.10824	1.6
95.01378	1.5
97.02967	5.1
101.06114	4.4
107.01421	3.8
119.03455	0.9
121.03021	3.2
123.00886	9.4
124.01666	34.3
125.02451	82.5
130.21649	0.8
137.02473	3.9
149.99600	58.5
151.00375	2.0
168.00652	83.9
169.01413	5.0
200.68782	0.8
397.11453	7.1
415.12488	100.0
416.12436	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82508	0.2
55.01889	0.5
56.60105	0.2
57.03458	0.4
59.01389	100.0
71.01382	4.9
73.02952	1.6
83.01398	1.3
85.02948	3.3
89.02460	1.8
93.03493	0.3
95.01386	0.4
99.00890	0.5
101.02453	3.5
113.02461	1.5
113.16376	0.2
119.03492	1.0
120.72757	0.2
121.02962	59.2
122.03311	0.3
135.04510	0.8
137.02490	0.2
143.03542	0.3
148.55429	0.2
161.04646	0.4
171.10333	0.3
201.11317	0.3
238.51129	0.2
293.00488	0.2
309.54187	0.3
315.84927	0.3
355.14185	1.6
415.23386	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51674	0.3
58.65878	0.3
59.01387	4.7
59.01639	0.5
61.98840	1.5
63.73710	0.3
64.54281	0.3
71.01404	0.6
84.72481	0.4
85.02963	0.7
87.47601	0.4
93.03474	1.9
93.69973	0.4
110.35773	0.4
111.04509	0.5
115.00368	0.4
119.64384	0.4
121.02985	0.5
133.02959	0.6
133.32857	0.4
134.03751	100.0
137.02458	8.2
139.04117	0.7
147.63344	0.4
149.06094	29.5
165.00133	2.1
173.04480	0.9
178.02727	23.7
179.03477	0.5
191.05637	11.3
193.05080	81.1
225.01776	0.4
252.98181	0.8
277.02133	0.4
294.44696	0.4
335.57230	0.4
353.09052	1.6
355.10391	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	1.5
56.19250	1.0
57.03468	1.8
59.01394	21.1
63.22356	1.1
69.03440	1.4
71.01382	20.5
73.02954	9.7
75.00904	1.3
83.01389	1.6
85.02951	8.6
87.00916	1.7
87.23116	1.2
89.02442	20.9
93.03484	5.5
97.02940	1.1
99.00921	1.4
101.02428	8.3
105.01952	7.5
113.02473	2.6
113.53683	1.1
114.97408	1.2
117.76549	1.2
119.05035	5.1
121.02956	100.0
123.04550	1.6
125.09710	1.5
131.03468	1.8
135.04530	68.8
137.02454	1.6
143.04996	1.6
153.05539	1.3
161.04614	1.5
163.03992	8.3
173.04485	1.6
191.05612	8.0
193.05074	9.9
265.08542	1.4
272.52512	1.2
283.11914	2.4
291.06061	1.2
307.35239	1.3
327.08789	10.0
344.06934	1.3
415.12421	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06099	0.7
53.55729	0.7
59.01386	25.0
69.03476	5.2
71.01389	13.7
73.02963	4.7
76.86666	0.7
81.71487	0.8
83.01423	0.9
85.02961	3.1
89.02450	12.9
99.00885	3.0
101.02460	4.7
113.02536	1.4
118.27383	0.7
119.03591	0.8
121.02956	94.6
131.03514	1.3
135.04536	100.0
149.04573	1.4
155.60406	0.8
163.04036	9.4
184.16672	0.9
223.06252	1.6
308.95786	0.8
325.68146	0.8
345.82996	0.9
376.89008	1.0
415.12497	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	415.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82682	1.1
59.01399	13.8
71.01393	12.9
72.99325	1.1
73.02947	7.5
74.23995	0.9
75.00852	1.3
75.05399	0.9
78.95892	1.0
82.33898	0.8
83.01366	1.0
85.02963	4.4
87.00892	1.5
89.02501	1.4
93.03510	1.1
101.02444	12.4
105.01993	1.3
108.02177	6.1
108.29938	0.9
109.02967	15.8
113.02466	5.0
117.05582	3.8
119.05018	2.0
121.02960	100.0
131.03506	5.0
135.04536	65.1
137.32579	1.2
152.01143	6.6
152.99632	1.4
153.01938	6.6
163.04062	7.3
187.05505	1.0
191.05724	1.3
223.06087	1.6
400.16602	1.0
415.12585	33.7
415.17981	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99230	0.3
59.01389	5.2
71.01376	4.6
73.02958	1.1
79.40431	0.3
89.02438	6.1
97.02975	0.4
99.00883	0.4
99.79140	0.3
99.86289	0.3
101.02460	1.4
108.02187	0.6
109.02956	0.6
113.02436	0.4
121.02956	100.0
122.03328	0.5
125.02439	2.1
131.03505	1.7
136.17766	0.4
142.85397	0.3
149.04523	2.1
175.04007	0.6
191.05634	1.2
233.06717	0.4
293.08887	2.6
339.46085	0.3
415.12286	1.2
421.19934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02962	0.2
55.01906	0.4
57.03459	0.3
59.01391	6.4
60.11821	0.2
62.82875	0.2
63.02642	0.3
71.01400	5.1
72.99309	0.4
73.02969	4.5
75.00909	0.3
83.01397	0.4
85.02974	2.9
87.00913	0.2
87.04540	0.6
89.02470	1.7
94.02439	0.3
95.01395	0.3
99.00854	0.3
101.02455	4.6
102.12802	0.2
103.04036	0.5
105.01945	0.3
108.02200	7.5
109.02974	6.0
113.02474	2.4
117.05531	0.3
119.03448	0.3
119.05010	0.5
121.02968	100.0
122.03312	0.5
131.03516	5.8
135.04546	6.4
137.02490	0.4
152.01187	4.9
153.02013	1.8
161.04578	1.7
163.04024	1.5
293.08847	7.6
397.11322	0.6
415.12500	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	413.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27890	1.0
56.80650	1.3
59.01387	100.0
61.98841	5.4
66.98483	1.1
102.17883	1.3
121.02962	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79653	1.0
54.18905	0.9
59.01393	100.0
59.47139	1.0
65.02582	0.9
66.72878	0.9
66.95162	0.8
72.17721	0.9
75.50573	1.0
90.33280	1.2
91.56168	1.1
110.20952	1.2
119.64674	1.0
141.65775	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00376	0.7
53.67046	0.8
54.18876	0.8
59.01395	100.0
61.98852	1.9
72.83222	0.9
79.43789	0.9
82.91223	0.9
83.09447	0.9
106.80363	0.9
122.77097	1.0
161.70630	0.9
193.19833	1.0
301.35550	1.0
416.33795	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38814	0.5
59.01387	24.0
60.01723	5.6
61.01806	5.8
61.83552	0.5
61.98835	100.0
63.50220	0.4
69.05994	0.5
71.98699	0.5
84.32198	0.6
95.25262	0.5
113.16977	0.5
226.15123	0.6
362.90015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73186	1.6
59.01388	23.6
60.01727	3.2
61.01804	3.5
61.98835	100.0
64.34653	1.7
69.02073	1.6
72.15058	1.5
92.10190	5.9
95.46814	1.5
97.20111	1.4
100.76092	1.7
114.63463	1.7
178.70453	1.8
304.65594	2.1
414.31445	2.4
420.19766	2.3
434.43054	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	413.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38881	0.3
52.04550	0.3
59.01394	16.1
71.01396	8.6
71.05044	0.7
72.99339	1.8
73.02953	1.5
76.57768	0.4
83.01400	0.5
83.05045	1.4
85.02984	1.8
87.00897	1.8
88.84476	0.3
89.02467	1.7
92.10812	0.8
93.03453	0.6
101.02448	3.8
101.06068	3.1
107.05017	0.5
111.04554	2.8
113.02449	0.6
121.02963	100.0
122.03294	0.6
129.05589	10.4
135.04536	54.8
147.06668	7.2
148.18538	0.4
163.04042	4.1
181.13841	0.4
193.05031	0.5
221.08466	0.3
262.76492	0.4
291.10864	2.8
379.98611	0.5
413.14630	58.2
414.15121	0.6
429.21146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.3
59.01385	15.2
61.97373	0.3
71.01384	9.0
71.05029	0.7
72.99330	0.5
73.02910	0.4
83.01383	0.7
85.02962	0.5
89.02454	1.5
92.10739	0.7
101.02451	1.9
102.98592	0.7
113.02431	0.7
121.02957	100.0
122.03278	0.5
134.86894	0.4
135.04533	84.6
147.04521	0.5
147.06662	2.9
163.04034	8.9
193.05089	0.4
223.06241	2.4
395.38327	0.3
413.14615	42.1
414.15125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07289	0.4
51.36314	0.5
53.82309	0.5
53.94173	0.4
55.01894	0.6
57.23598	0.5
59.01389	18.3
62.05520	0.5
71.01382	9.0
71.99669	0.5
72.99321	2.7
73.02955	1.0
74.02490	1.3
83.01382	0.6
83.05028	1.0
85.02972	1.0
85.06593	0.5
87.05670	0.7
89.02454	1.2
93.03483	1.2
99.00860	1.0
99.05679	1.2
101.02453	2.2
106.44144	0.6
111.04565	1.0
113.02458	0.6
113.03577	0.8
119.05064	0.5
121.02960	100.0
129.05582	10.9
131.94980	0.5
135.04533	81.1
147.06642	2.1
163.04050	8.3
173.04634	0.7
189.05617	0.6
223.06140	1.1
291.10944	0.7
308.16177	0.9
342.14966	3.8
380.58902	0.6
386.13867	0.6
413.14627	52.4
414.14868	1.0
415.61572	0.6
429.76917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10876	0.7
55.68483	0.7
57.03453	1.9
59.01391	17.0
70.06685	0.9
71.01379	10.4
71.05035	3.6
72.99335	1.1
73.02972	1.1
73.06586	0.7
75.00900	1.2
78.95923	3.9
79.48357	0.7
83.01436	1.1
85.02973	4.8
87.00858	0.9
92.10812	1.7
96.95972	0.8
99.04527	4.3
101.02480	4.8
101.06076	10.5
113.02457	4.4
121.02956	100.0
122.03309	1.4
124.60928	0.9
129.01993	1.4
129.05609	14.0
132.02182	12.3
133.02974	5.4
134.03751	11.5
135.04527	32.3
137.02498	1.0
147.06650	18.9
149.06104	1.4
151.68837	0.8
152.99623	2.1
160.01677	69.4
161.02419	0.9
163.04022	2.1
175.04027	65.1
177.04091	1.1
191.05637	1.2
193.05064	8.8
235.06235	1.6
248.10300	0.9
413.14673	94.3
414.14838	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.5
61.98820	1.9
63.83867	0.3
70.67749	0.3
71.01386	3.0
73.02946	1.9
78.95904	5.2
79.95756	1.6
83.01396	0.4
85.02952	2.2
87.04527	1.3
88.98803	1.2
89.02438	2.1
92.10748	0.5
93.03446	0.3
96.96011	100.0
96.96915	8.4
98.95562	0.3
99.00898	0.4
101.02449	3.1
101.06075	1.7
108.04578	0.3
109.02959	0.6
113.00803	0.3
113.02456	1.7
118.02988	0.5
119.03524	0.3
119.05028	1.7
123.04515	1.1
135.04517	0.6
144.04482	0.6
149.06065	0.5
153.05548	1.8
161.04517	0.3
162.05621	0.7
163.04013	1.3
188.03441	0.6
196.95164	0.2
207.06638	0.4
221.10316	3.0
235.02486	0.6
250.04691	0.4
315.10931	0.4
325.11401	0.3
329.69653	0.3
351.71240	0.3
353.14420	1.1
353.18277	1.7
356.67368	0.3
413.11505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
64.48188	0.3
71.01363	2.5
72.99312	0.5
73.02947	58.6
75.00906	0.5
76.57646	0.3
77.28960	0.3
78.95901	0.6
85.02973	0.5
87.00888	0.4
88.98779	0.4
89.02478	0.7
96.96009	14.3
96.96966	0.6
98.95590	1.3
99.00882	7.6
99.92596	1.5
101.02426	0.4
107.90047	0.3
108.02195	2.8
109.02941	2.7
111.02015	0.4
113.02428	0.4
115.00372	1.8
115.92092	0.6
116.92850	6.9
117.01943	100.0
118.02313	0.4
130.08720	0.7
131.03482	0.4
133.01460	3.3
133.04218	0.3
133.05037	2.5
150.04230	0.6
152.01149	2.0
153.01968	2.8
189.26122	0.3
191.05609	2.0
231.63258	0.3
285.55963	0.3
300.00497	0.3
315.07169	3.6
351.95639	0.3
353.07190	0.4
413.12662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82264	0.2
53.32181	0.3
55.01858	0.2
55.44608	0.3
59.01385	0.5
71.01389	1.2
76.23365	0.2
78.95905	0.4
79.95736	1.3
80.64991	0.2
85.02963	0.4
85.19553	0.3
88.80924	0.2
89.02431	0.4
96.96011	100.0
101.02444	0.3
105.05545	0.3
108.02183	26.9
109.02965	8.7
114.93366	0.3
121.02904	0.3
140.86577	0.3
152.01164	24.5
153.01942	9.0
163.03981	0.6
165.01970	0.4
178.91296	0.3
315.07269	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04559	0.2
59.01388	1.1
69.89809	0.2
71.01386	1.3
73.02965	0.4
74.87431	0.3
78.95906	1.2
79.46687	0.3
79.95747	1.4
85.02968	1.2
89.02485	0.4
93.03448	0.3
96.96011	100.0
101.02433	0.4
105.56159	0.3
108.02186	24.7
108.89991	0.3
109.02964	9.0
113.02496	0.3
114.93424	0.3
123.04415	0.3
147.56850	0.3
152.01172	21.4
153.01964	7.0
163.03952	0.4
165.01915	0.3
166.79175	0.3
315.07294	28.4
345.00967	0.3
353.72314	0.3
361.47470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07832	0.2
55.51217	0.2
59.01390	2.5
61.83057	0.2
61.98837	100.0
62.53260	0.2
71.01386	0.6
93.03453	0.4
99.49880	0.3
101.02425	0.4
119.05034	1.6
121.02962	1.1
135.04521	0.3
137.02454	0.5
142.06618	0.5
145.02960	1.0
164.97682	0.3
172.95441	0.3
173.04500	0.3
179.03600	0.4
225.16087	0.3
229.06268	0.5
262.59125	0.3
318.70636	0.3
376.20547	1.2
412.20868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36029	12.7
59.01398	100.0
64.35784	13.1
68.48497	12.1
71.01391	29.8
89.02447	16.1
93.03478	20.6
99.04527	13.8
101.02454	27.9
108.02200	61.9
109.02946	31.0
117.48584	15.4
121.02969	25.8
134.03749	16.2
134.58351	15.3
137.02498	16.3
145.02922	30.0
152.01178	22.8
173.04501	16.3
191.05641	30.9
209.81877	17.5
281.40567	14.9
287.48434	16.5
399.85413	15.6
411.12793	16.8
411.17621	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
67.77420	0.3
73.24422	0.3
76.31599	0.4
76.50713	0.3
92.65616	0.3
93.52823	0.3
111.23344	0.3
155.30917	0.4
275.18930	0.4
350.30954	0.4
365.36755	0.5
401.91229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85648	0.4
54.51540	0.4
55.01895	1.2
55.57222	0.6
57.03463	1.1
59.01391	100.0
61.98849	2.1
71.01384	13.4
71.01733	0.9
73.02950	5.2
83.01399	3.7
85.02963	10.1
89.02453	0.9
92.65868	0.7
95.01404	1.1
99.00925	2.5
101.02437	13.4
113.02443	6.3
113.46140	0.4
114.61057	0.5
119.03496	0.8
121.02949	2.9
123.04526	2.0
133.02956	1.3
134.03725	3.5
135.04532	10.6
137.02432	1.2
140.25510	0.5
148.05257	1.0
153.05585	0.9
159.02934	0.7
161.02432	2.2
161.04565	3.5
163.07611	0.6
178.02654	0.8
179.03542	5.1
179.04880	0.5
195.13766	0.7
196.19052	0.5
213.14980	4.0
242.47443	0.6
289.07260	3.5
289.16608	18.7
325.64621	0.6
331.17651	3.1
375.20282	2.6
409.40421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82650	1.7
57.03469	4.3
59.01389	25.9
64.86637	1.6
68.85356	1.5
71.01382	100.0
71.05054	2.1
72.99303	33.1
78.53924	1.7
78.91882	1.6
78.95898	3.7
85.02987	7.9
87.00879	52.4
87.01382	3.0
88.55190	1.7
89.02470	6.7
96.96011	22.7
96.96970	9.8
101.02419	3.3
101.06083	4.2
113.02465	2.8
115.00385	21.1
126.47529	2.1
129.01968	9.3
133.01447	2.6
133.93369	1.8
147.03014	64.1
147.06631	29.7
161.04530	2.6
168.09666	2.0
179.05714	3.0
193.58119	2.0
195.06694	2.2
213.50809	1.9
263.31052	2.0
275.01953	2.0
279.39221	1.9
357.11865	2.6
403.00775	2.1
411.10687	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	411.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89816	0.5
59.01395	9.1
71.01376	1.2
74.93934	0.5
89.02447	1.4
93.03447	1.1
96.40293	0.6
101.02447	1.2
107.05038	1.3
109.02962	2.9
111.00852	2.3
113.79879	0.6
116.32230	0.7
121.02959	25.9
133.02032	1.0
133.02968	15.7
134.02713	0.9
134.03749	27.1
135.04533	100.0
137.02448	17.6
138.70755	0.7
139.04059	4.6
148.05232	0.7
149.02370	0.6
150.03255	1.3
159.04578	1.1
161.02458	20.1
175.07599	1.1
177.01907	0.7
177.05569	3.6
178.02728	11.5
179.03511	55.0
184.30820	0.7
201.05656	2.3
205.04929	0.8
227.07185	1.0
245.08194	3.4
271.06152	1.2
271.52066	0.6
289.07214	32.2
411.11243	1.1
411.20285	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	3.4
57.03470	4.3
57.45692	1.5
59.01388	27.6
64.55787	2.0
68.99580	6.0
71.01386	49.4
72.99329	9.8
73.02951	72.3
75.00878	2.7
78.95902	3.4
83.01405	9.3
85.02946	12.7
87.00916	7.3
87.04538	2.9
89.02467	9.2
95.01422	1.9
96.96017	39.6
96.96965	8.0
99.00875	40.3
101.02426	12.1
111.00903	10.3
112.98819	79.2
113.02467	3.3
115.00401	18.6
116.92873	68.7
117.01096	3.5
117.01943	100.0
119.03490	1.6
124.98822	2.2
126.97716	2.0
129.01964	11.6
130.08742	40.3
131.09119	3.9
133.01381	2.4
133.05072	2.6
142.99875	31.2
145.01474	8.0
145.04100	3.0
173.00914	45.8
205.03645	3.9
229.68802	1.8
269.10165	1.9
313.09363	9.0
337.04593	1.9
411.09723	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	411.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70407	0.2
59.01383	7.8
71.01392	5.9
72.99325	0.4
73.02944	0.4
80.16473	0.3
83.01384	0.3
83.05046	1.9
85.02958	0.6
89.02448	1.5
89.62404	0.4
92.10769	0.7
93.03471	0.6
99.00875	0.5
101.02460	1.6
113.02458	0.6
119.05055	0.8
121.02959	100.0
122.03321	0.5
127.04003	2.0
134.03725	0.8
135.04533	50.3
145.02963	0.7
160.01662	0.7
163.04062	5.5
175.04028	0.4
191.05605	1.9
193.05040	0.4
218.92513	0.3
223.06107	0.6
411.13019	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	411.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51160	0.7
51.96980	0.8
55.01889	1.5
57.03466	5.1
57.69329	0.8
59.01385	26.1
65.54428	0.8
69.03461	2.1
71.01380	28.5
71.05012	1.4
72.99325	5.1
73.02956	11.9
75.00891	1.1
78.95908	10.1
79.95740	1.8
81.48101	1.0
83.01405	6.3
85.02945	13.8
87.00877	6.6
88.98838	1.3
89.02464	6.2
96.96011	100.0
96.96926	13.3
97.06603	4.2
99.00903	3.8
99.04529	1.0
101.02443	15.5
113.02463	7.7
115.00375	5.8
116.92854	2.2
117.01940	10.0
119.03517	1.2
120.91533	0.8
121.02984	1.4
122.03786	1.3
133.01466	1.9
133.05075	1.1
145.02974	1.6
147.03023	10.3
147.04167	1.0
147.06602	1.4
157.01347	1.4
159.03008	4.3
159.06615	1.4
161.02467	1.4
161.04591	7.5
162.03268	1.6
179.05574	2.3
191.05568	2.3
192.07216	1.0
269.10257	1.1
306.85934	1.3
313.09393	8.3
351.12964	5.6
351.16705	1.4
357.11908	1.4
363.08554	1.0
375.12933	1.6
411.10541	3.9
411.15463	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	13.3
58.77546	2.5
59.01389	43.5
71.01385	100.0
71.05036	5.3
72.99308	41.0
72.99660	3.6
73.02930	2.7
78.95927	12.1
85.02966	6.2
87.00880	45.2
89.02448	13.1
94.98107	4.0
96.96007	66.7
96.96960	17.5
101.02425	11.6
101.06099	16.7
113.02489	4.3
115.00383	26.3
119.03551	3.9
127.20929	2.7
129.01939	6.8
133.01355	4.3
139.66289	2.9
145.02965	4.5
147.03021	57.8
147.06656	46.8
161.04536	3.0
190.27448	3.1
222.47389	3.3
275.25659	3.5
292.62079	2.9
357.11938	4.2
411.10947	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	411.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18649	0.2
52.00922	0.2
53.68127	0.2
55.01889	0.3
59.01385	2.0
68.11723	0.2
71.01382	2.5
73.02942	1.2
78.95897	1.5
79.95750	1.3
83.01382	0.5
85.02953	1.4
89.02405	0.3
96.96011	100.0
97.93125	0.2
99.00919	0.3
101.02438	2.8
113.02450	0.9
115.77600	0.2
159.03059	0.3
161.04561	0.5
225.85931	0.2
247.60809	0.2
253.33221	0.2
269.10266	0.8
289.80902	0.2
313.09308	4.6
341.68274	0.3
384.66611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01657	0.4
55.01889	3.9
57.03476	2.9
59.01385	19.0
71.01379	25.3
72.99329	0.8
73.02943	10.6
75.00922	0.7
78.95907	25.2
79.95756	1.1
83.01389	6.8
85.02946	18.5
87.00892	2.4
89.02461	1.0
95.01401	1.3
96.96028	100.0
96.96978	38.3
99.00854	5.2
101.02439	20.9
101.83270	0.6
103.00412	0.6
111.00917	0.8
111.92502	0.5
113.02440	8.6
115.00373	1.3
125.02502	0.9
129.01964	1.0
133.01404	0.7
133.05077	1.3
135.04521	0.6
148.40657	0.6
155.98320	0.6
159.03014	2.5
161.04558	12.5
191.05652	1.0
219.05199	0.8
269.10336	7.1
313.09366	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2362
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
57.70601	0.6
59.01387	1.9
61.26453	0.8
62.74181	0.7
78.95911	74.8
85.41854	0.8
92.10121	2.3
96.96964	5.5
111.33717	0.7
150.98041	1.8
152.99603	100.0
155.38306	0.8
160.73227	0.8
171.00644	1.5
185.68108	0.8
186.45789	0.7
255.23302	2.0
271.10519	0.9
275.64395	0.9
409.23767	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	409.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	30.1
61.98839	4.5
67.01907	4.8
71.01383	7.0
75.00891	4.7
83.01418	3.5
85.02952	6.6
87.00904	15.9
93.03472	36.8
108.02193	4.8
109.02966	18.6
118.22018	2.5
121.02951	5.4
129.01959	4.0
135.04597	4.8
137.02425	4.2
146.03795	3.9
150.63313	2.7
159.04498	11.0
159.56595	3.3
161.02440	2.7
172.05397	5.1
173.04623	5.8
173.06081	12.4
179.03394	3.0
187.07645	40.7
191.05638	63.4
195.05124	4.6
201.05624	13.0
202.06415	12.6
209.54909	4.0
224.04842	3.6
224.06955	100.0
224.57129	15.1
231.06639	5.4
231.10335	15.1
246.85335	3.6
266.80951	2.9
267.06552	3.7
409.19647	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77283	0.5
55.01885	1.2
57.03472	1.4
58.00583	0.8
58.24199	0.6
59.01389	100.0
60.01717	0.7
61.01810	0.6
61.98835	2.7
67.36622	0.6
71.01383	28.9
72.99339	1.2
73.02967	4.0
75.00897	0.8
79.41274	0.7
83.01403	1.2
84.55745	0.8
85.02961	9.1
86.02639	0.7
87.00887	1.4
89.02443	25.0
93.03450	2.9
95.01397	1.5
96.96004	8.3
99.00867	1.0
101.02456	15.9
113.02460	11.5
119.03504	10.2
131.03506	1.0
135.04521	0.7
137.02470	1.0
143.03528	1.0
148.04089	0.8
159.02966	1.0
161.04567	6.9
179.05679	6.5
187.09709	0.7
187.13419	2.9
191.05608	7.3
243.69695	0.7
307.21698	0.8
349.18726	50.6
409.12671	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01067	17.9
58.85180	19.2
59.01385	100.0
59.41797	19.1
61.98840	36.3
134.51183	22.4
163.64063	18.7
202.18877	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	407.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	3.3
63.44746	2.6
65.75746	2.2
76.32334	2.5
82.43826	2.4
85.82243	2.5
93.32098	2.3
95.05027	22.6
124.01676	4.2
127.72197	2.8
129.64734	3.0
139.03020	5.5
139.04027	100.0
252.53441	2.7
285.04507	3.0
294.82626	2.7
330.42215	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32933	8.5
59.01387	100.0
72.69125	11.0
81.33937	9.3
82.95454	42.2
92.10288	63.5
109.02943	8.1
127.49270	8.0
152.78934	8.9
173.04478	15.0
180.11279	9.0
183.89421	8.9
200.82460	11.1
288.16733	10.8
298.34274	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	409.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18578	12.6
59.01390	100.0
67.43671	16.2
76.95345	16.6
77.75751	17.6
92.10172	47.2
115.78164	15.4
118.79265	16.7
162.63690	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	409.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65845	1.3
59.01392	18.0
60.73529	1.4
71.01394	6.3
73.02953	1.9
75.00880	1.6
80.99628	1.6
85.02975	8.0
87.00880	3.0
89.02447	2.5
93.03471	7.1
101.02442	3.1
101.06121	1.5
111.04577	1.5
113.02448	2.7
117.03464	27.6
119.05032	3.3
121.02994	6.4
124.76367	1.6
135.04501	3.3
145.02968	100.0
145.04124	3.3
163.04018	6.3
173.04565	2.9
191.05573	25.4
191.07141	1.9
201.25166	1.5
267.17429	1.5
268.80420	1.5
349.18552	6.4
384.13904	1.6
400.11163	2.9
409.15204	28.5
409.20364	2.7
428.91687	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	407.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.7
57.03467	0.6
59.01392	100.0
67.23940	0.3
71.01397	5.7
73.02960	1.7
83.01405	1.9
84.84003	0.3
85.02966	3.8
89.02475	1.5
99.00910	0.6
100.43964	0.3
101.02454	5.4
102.66180	0.3
113.02465	1.8
119.03496	0.4
161.04555	2.0
185.11765	0.5
191.05714	0.5
196.37144	0.4
203.13022	0.3
208.66988	0.4
225.10648	0.3
347.17175	20.3
365.18192	7.2
407.14404	0.5
407.19284	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	407.2209
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
58.90599	1.4
59.01393	3.7
61.98838	13.4
68.99592	3.5
78.95902	100.0
80.52379	1.5
96.96042	2.5
96.96975	7.9
109.07241	1.7
112.98509	1.5
152.99594	63.4
171.00668	40.6
199.13298	1.7
306.70120	1.8
325.18622	6.3
329.22266	1.9
416.54190	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	407.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09007	9.1
52.05918	11.3
54.59186	11.8
59.01399	54.6
61.98845	13.9
68.99573	100.0
72.00433	11.4
73.35608	12.5
112.98584	56.9
245.74915	13.7
270.12970	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	407.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	20.8
61.98861	4.7
67.01905	36.9
69.21217	0.8
71.01402	3.9
73.02980	1.4
75.00901	1.0
78.00753	1.0
85.02963	4.4
88.26106	0.9
92.97134	0.9
93.03493	1.1
97.02976	0.9
101.02460	2.1
109.02954	1.6
111.00888	100.0
112.01247	1.1
113.02489	1.4
121.02975	1.3
125.50572	1.0
135.04454	1.1
137.02458	1.3
139.11322	1.5
173.04597	1.4
177.04059	1.1
185.11848	5.5
191.05708	3.9
243.12369	1.4
267.94556	1.2
283.24893	1.0
317.10300	1.1
344.92032	1.0
354.11282	1.3
407.18994	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	407.1848
Annotation	Mulberrofuran Y
Peak:m/z	Relative Intensity
51.26439	8.0
58.51084	8.6
59.01397	100.0
61.98839	23.3
62.88062	8.2
68.57768	9.1
71.01411	10.0
74.42529	8.5
76.59776	9.4
93.03461	19.0
94.03281	9.8
116.39335	10.8
136.99655	10.2
137.02429	13.2
173.04623	11.3
178.74104	10.0
191.05673	46.3
245.81685	12.3
407.18341	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1931
Annotation	Daumone 4
Peak:m/z	Relative Intensity
55.01883	0.9
57.03468	1.4
59.01388	100.0
61.98851	2.9
63.78534	0.6
69.68472	0.7
71.01388	18.1
71.05044	0.8
73.02943	6.3
83.01416	1.8
85.02959	8.8
87.00892	4.6
89.02443	6.5
95.01389	0.8
97.06618	5.3
99.00913	0.8
100.77345	0.7
101.02451	12.1
113.02450	7.6
115.00370	6.7
115.07667	11.7
119.03532	1.5
119.05027	1.5
142.96841	0.8
143.03543	1.0
152.90211	0.7
159.03001	0.9
161.04572	10.3
165.05560	1.1
175.02486	9.3
179.05562	1.1
185.02251	1.7
185.08160	1.0
185.11801	7.6
197.75179	0.9
245.05550	0.9
259.11938	1.3
315.66693	0.9
347.17148	10.4
389.18372	3.5
407.19659	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	407.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20474	5.2
59.01389	100.0
71.01396	12.1
73.87325	7.9
75.25057	7.2
85.02975	8.0
89.02448	7.3
93.03461	10.7
121.02955	10.5
132.74115	6.4
139.11285	47.7
181.12262	11.2
183.10329	37.6
184.29488	7.3
191.05545	11.0
225.11310	7.1
227.13075	10.1
243.12291	49.5
245.13893	37.7
269.28430	8.1
407.19565	63.3
407.26926	7.8
407.78857	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	407.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84100	5.5
54.37603	5.7
59.01395	100.0
71.01399	11.9
73.02931	8.4
80.17751	5.7
85.02942	9.4
87.29369	6.8
89.02452	7.1
101.02467	11.0
114.71977	6.2
121.02972	28.4
129.02696	7.0
134.25705	7.5
137.06082	10.5
137.09700	7.4
139.11342	29.9
146.34119	7.1
183.10280	30.0
191.05620	41.2
227.12885	25.9
243.12401	28.7
245.13939	41.6
407.19193	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42699	0.7
50.89204	1.1
50.89460	0.7
59.01387	18.2
61.98830	1.4
67.01897	35.8
67.02225	1.6
71.01386	3.9
75.00893	0.8
85.02950	1.7
89.02500	1.3
92.65599	1.1
93.03458	1.2
96.57710	1.0
99.00886	1.1
101.02496	2.0
111.00892	100.0
121.02970	1.9
135.04535	1.4
139.11324	4.1
177.08871	1.0
183.10321	4.7
191.05704	5.4
225.11299	1.5
243.12457	5.7
407.09851	1.2
407.19409	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	407.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42180	1.1
54.83082	1.2
56.24329	1.2
57.03465	1.4
59.01388	28.1
61.98850	7.9
67.01899	39.6
71.01406	8.7
73.02972	2.0
76.83670	1.2
79.27786	1.3
84.82651	1.5
85.02971	2.2
88.63019	1.2
92.10136	7.1
93.03458	1.6
100.81475	1.4
101.02460	2.6
109.02946	2.7
111.00894	100.0
112.65131	1.8
121.03003	2.0
135.04530	1.5
139.11345	1.7
146.03848	1.3
173.04614	2.3
173.06100	1.5
179.03596	1.4
185.11882	7.1
191.05640	6.0
276.29642	1.6
407.18695	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25193	17.7
55.25737	19.1
59.01396	96.0
61.98844	100.0
64.97932	19.8
75.90886	19.5
114.39959	20.0
211.52792	20.4
405.24847	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	405.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25193	17.7
55.25737	19.1
59.01396	96.0
61.98844	100.0
64.97932	19.8
75.90886	19.5
114.39959	20.0
211.52792	20.4
405.24847	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	405.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46098	17.9
52.31184	18.0
55.05424	21.6
59.01381	51.4
61.98840	100.0
64.34413	21.9
71.39128	22.6
72.40439	20.6
85.10782	22.4
85.25631	20.4
103.44145	21.7
104.64326	22.7
106.78342	23.8
114.79674	21.0
121.02985	41.6
159.72984	20.2
168.10439	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	405.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66981	0.8
55.01891	1.5
57.03452	8.4
58.00611	2.1
59.01391	93.7
61.98848	4.1
63.16154	0.8
67.60646	0.9
69.03459	1.6
71.01385	50.7
71.05031	1.4
72.99338	4.2
73.02972	4.0
74.05608	1.0
75.00877	1.5
79.95760	1.9
80.96514	1.3
81.03467	0.8
83.01409	4.8
83.05041	1.9
85.02969	13.0
87.00900	5.6
89.02450	42.1
92.10762	1.3
95.01413	2.2
96.96022	20.4
100.76018	0.9
101.02448	26.8
101.03094	1.2
111.08202	1.9
113.02463	15.5
115.00369	1.0
119.03630	18.0
119.05035	100.0
120.05411	1.4
125.06100	1.0
131.03516	2.0
134.07407	4.7
137.09802	1.4
138.97139	1.2
139.07600	1.7
143.03519	1.9
147.08206	1.0
149.04422	1.2
149.09743	21.9
153.09277	1.6
161.04588	6.6
163.04034	41.9
167.10791	22.2
167.13214	1.1
173.08269	1.4
179.05614	6.9
181.12370	1.7
183.10356	1.5
207.13942	10.6
225.14984	6.0
241.00272	34.8
243.16029	5.7
261.43652	0.9
269.92404	1.0
367.16205	2.0
387.20291	8.2
393.79141	1.1
405.05154	5.6
405.13751	3.3
405.21582	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	405.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83436	0.9
59.01388	1.0
63.32679	1.0
86.67307	0.9
90.76978	1.0
109.99226	1.0
139.84630	1.0
179.98038	1.2
188.90302	1.1
257.38058	1.1
375.17737	4.3
390.19943	33.4
405.22287	100.0
406.22437	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	405.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73649	0.7
57.03464	12.3
58.00618	1.1
59.01390	100.0
69.72597	0.8
71.01387	49.4
72.99322	2.3
73.02967	5.6
75.00859	1.4
83.01406	1.6
83.05051	1.3
85.02965	15.8
89.02455	50.8
92.10117	3.6
95.01423	3.9
101.02457	20.6
106.21467	1.0
106.26014	1.1
109.06596	1.4
112.05315	1.4
113.02464	16.5
119.03505	13.6
129.01917	1.3
134.07404	6.1
135.08191	2.2
137.09749	2.3
139.07690	6.9
143.03540	1.6
149.08528	1.6
149.09735	47.6
153.09232	27.2
159.02988	1.6
161.04585	5.8
167.10794	50.9
177.04013	1.1
179.05620	6.1
195.05093	1.7
198.06897	4.6
201.77818	1.0
209.11938	2.0
218.48373	1.1
225.14952	5.3
229.10878	1.0
243.16089	8.1
405.13733	1.5
405.21619	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99848	0.6
57.03450	4.5
58.00612	1.2
59.01388	92.8
61.98846	1.1
66.24350	0.6
71.01385	53.9
72.99318	4.3
73.02950	3.9
75.00884	1.7
83.01397	3.6
85.02951	13.4
87.00880	27.5
89.02449	36.4
95.01402	3.6
96.96014	3.2
97.06607	1.0
99.00907	1.7
99.92556	1.0
101.02444	18.3
109.02948	1.4
112.98836	1.0
113.02460	15.1
114.93365	0.8
115.00379	52.0
116.92850	9.2
117.32438	0.7
119.03517	11.9
119.05045	4.7
123.08243	0.7
127.00417	0.8
135.03030	1.0
137.06032	0.8
141.54965	0.6
143.03548	0.7
154.04381	0.8
161.04568	6.5
163.04015	0.9
165.09375	0.9
173.08170	1.0
175.02496	100.0
176.02762	1.0
179.05617	4.8
183.10275	4.6
193.05067	1.5
240.42709	0.8
241.00305	1.6
305.53253	0.8
336.91602	0.8
342.16061	0.7
345.15637	0.7
405.05984	1.6
405.21765	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	405.2135
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
51.39524	1.1
54.82715	1.1
55.01891	3.3
55.75267	1.2
57.03456	2.1
58.00606	1.2
59.01386	68.5
61.98835	1.3
64.93098	1.1
65.88951	1.2
71.01385	25.0
72.99294	1.3
73.00351	1.0
73.02951	2.8
80.36404	1.3
83.01397	2.8
85.02950	13.2
85.06593	2.8
87.00383	1.3
87.00867	3.2
89.02453	13.4
93.03471	3.2
95.01386	2.1
99.00892	5.3
101.02435	14.6
113.02463	7.8
119.03523	5.0
121.02966	12.5
122.03297	5.0
135.04594	2.1
137.02443	5.3
155.14439	8.8
173.04550	3.0
180.06667	1.8
181.06868	1.7
181.16003	2.3
191.05801	1.3
199.13451	17.7
202.33052	1.3
225.14926	4.6
246.05617	1.3
308.58405	1.3
335.08038	1.4
345.19452	1.8
393.08853	1.4
405.21429	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	405.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83149	2.7
56.72518	2.3
59.01393	24.6
61.11405	2.2
71.01402	6.3
74.46484	2.3
85.02952	2.9
90.51912	2.5
93.03460	100.0
121.02996	14.2
131.25284	2.8
137.02475	6.1
153.09039	2.8
175.82899	2.7
191.05589	6.5
199.07722	25.0
243.06651	11.3
405.11975	44.9
405.17130	13.6
427.54718	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	65.2
61.98837	100.0
69.03467	8.2
71.01380	9.1
71.69070	5.6
91.01908	8.4
93.03480	15.4
108.02168	33.0
121.02963	27.9
125.02380	8.3
137.02441	31.4
151.00426	11.6
173.04512	10.5
189.29120	6.8
204.61511	6.7
242.05931	13.1
243.06619	44.7
313.62543	6.2
367.68936	7.0
405.12137	11.3
405.16827	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	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	10.3
59.01386	23.1
59.01659	1.4
61.31458	0.8
69.03458	4.0
71.01385	19.5
72.99320	4.4
73.02958	1.6
75.00874	46.0
83.01414	1.3
84.02160	1.5
85.02957	18.9
87.00883	11.9
89.02457	3.3
92.10793	4.5
97.02956	4.9
97.52147	0.8
99.00874	8.6
101.02453	3.7
111.00891	1.0
111.08157	1.0
117.01946	1.1
129.01955	14.3
141.01938	3.4
151.32579	0.7
159.03008	3.3
165.12883	18.6
173.52344	0.7
177.04070	54.0
183.13927	67.9
195.05185	8.0
195.89520	0.7
197.15508	4.6
198.85815	0.7
209.11832	3.3
225.14996	3.2
227.12941	24.3
263.82520	0.9
269.13980	1.2
387.16699	13.4
405.17737	100.0
406.17624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82722	0.9
57.03471	1.6
59.01395	79.8
60.99286	0.9
61.98861	1.2
63.81564	1.0
69.03469	1.3
70.29414	0.9
71.01400	5.4
73.02972	5.0
83.01409	1.3
83.95285	0.8
84.17514	1.0
85.02969	1.7
89.02451	1.7
93.03479	5.7
99.45045	1.0
101.02460	2.4
113.02509	1.4
119.76260	1.1
121.02959	13.8
125.02477	1.9
135.04550	2.3
137.02472	2.3
139.11298	35.9
148.06085	1.3
155.10782	1.2
161.02486	1.3
165.01903	5.1
165.09116	1.1
173.04529	4.9
179.03513	4.6
180.04291	4.8
181.12367	21.6
183.10291	41.6
191.05624	8.8
195.06647	2.2
199.13394	10.6
225.05479	1.2
225.11356	18.9
243.12398	100.0
257.14114	1.6
272.78000	1.0
285.13477	25.5
311.10333	1.1
315.14529	2.0
345.15594	23.2
405.17651	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	405.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67989	0.6
57.03453	7.0
57.42477	0.7
59.01389	17.3
61.98822	3.7
62.94743	0.7
69.03446	0.8
71.01392	11.6
72.99316	4.6
73.02956	0.9
75.00877	21.8
75.38181	0.7
83.01398	0.9
85.02957	18.5
86.43165	0.7
87.00877	3.9
88.79648	0.6
89.02448	4.2
90.23817	0.7
91.01913	0.9
93.03461	3.6
98.18745	0.8
99.00900	7.1
109.02976	1.4
111.00870	1.3
111.08212	1.1
113.02470	1.0
114.35514	0.8
121.02953	3.2
129.01953	13.2
135.00868	1.4
137.02527	1.1
141.01965	1.2
145.34576	0.9
159.02948	4.0
165.12860	21.9
173.04507	1.8
177.04076	10.6
183.13922	100.0
189.48380	0.7
191.05637	1.5
195.03453	1.4
195.05128	27.4
209.11887	1.7
217.46004	0.8
227.12946	51.0
243.56717	0.8
387.16647	1.6
405.17688	46.0
406.17822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97843	0.7
55.71907	0.6
57.03468	1.1
58.00610	2.0
59.01390	100.0
69.03481	0.8
71.01387	42.7
72.58529	0.7
72.99317	1.9
73.02968	1.4
75.96792	0.7
79.92208	0.8
83.01398	1.4
85.02947	12.4
87.00887	3.3
89.02448	54.5
93.03462	1.1
95.01400	3.2
95.95345	0.9
96.96009	10.1
98.95634	1.1
99.92564	0.9
101.02442	19.5
111.00896	1.0
111.08159	1.2
113.02453	19.4
115.92085	1.1
116.92873	0.8
118.43522	0.8
119.03501	17.7
119.05010	19.4
122.06215	1.0
125.02453	1.1
131.03555	1.1
133.02959	1.2
143.03574	1.7
161.04564	4.6
163.04045	5.7
165.09254	1.4
172.75620	0.8
179.05630	20.4
191.05646	3.2
194.78369	0.8
222.23970	0.8
241.00284	5.5
345.15570	4.6
405.13855	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.169
Annotation	151135-83-0
Peak:m/z	Relative Intensity
52.89851	10.6
59.01391	19.1
65.91138	9.8
68.02454	11.5
106.04252	17.8
139.00377	65.4
161.09718	52.5
205.08736	100.0
251.90796	15.5
319.21469	14.0
405.17078	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15889	1.0
59.01388	100.0
60.99318	17.7
61.17477	0.9
61.98845	1.3
65.81348	1.0
67.67271	0.9
71.01398	5.1
78.95910	1.2
79.23259	1.1
85.02982	2.3
88.98810	90.7
89.02469	4.1
94.39901	1.1
96.96010	33.4
96.96968	3.5
97.03023	1.2
101.02468	2.5
111.00890	1.2
113.02480	1.3
116.92889	6.4
119.03493	1.9
119.05040	4.0
121.02963	9.7
123.04497	2.1
127.04047	1.1
132.98232	1.0
153.01984	1.9
153.05637	5.5
163.04019	1.8
168.04340	4.4
183.06631	15.2
221.01425	1.8
236.87453	1.1
237.00876	5.4
352.18250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04761	0.7
55.01894	0.9
58.00614	1.4
59.01387	66.8
71.01380	31.9
71.99559	0.9
72.99319	1.4
83.01411	1.9
85.02953	8.9
87.00900	3.9
88.98824	2.3
89.02444	38.6
95.01420	1.6
96.96029	3.8
101.02454	13.4
104.22577	1.0
106.68780	1.0
113.02449	12.3
119.03509	13.5
121.02998	4.9
137.02467	1.4
143.03568	1.3
149.02466	19.9
160.01773	1.3
161.04573	1.6
177.01945	100.0
179.05621	4.8
192.04300	27.6
192.05930	1.5
195.03024	8.0
197.00078	1.1
207.06642	5.8
210.05359	6.2
225.07758	11.8
387.12939	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	405.1199
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
50.52892	0.9
51.96881	1.0
59.01401	5.7
63.55238	1.2
69.03461	72.1
71.01389	2.1
73.05736	1.0
75.74426	1.0
75.99229	1.1
77.90755	1.3
79.01892	9.4
80.34859	1.1
81.03483	6.2
91.01908	18.1
91.55951	1.1
92.10777	4.1
93.03454	3.0
95.01400	6.3
97.02956	39.2
97.03584	2.0
107.01405	60.8
108.02195	33.8
109.02998	13.1
121.02982	6.4
123.00903	17.5
125.02458	88.9
133.02943	1.5
135.00899	34.6
135.04503	1.3
136.01674	2.8
137.02434	9.3
149.02484	1.4
151.00392	78.1
152.01166	34.2
153.01990	17.4
163.04030	2.9
171.28700	1.2
177.01955	2.7
183.08084	1.4
189.19519	1.3
197.06116	1.9
197.18036	1.1
242.04106	2.0
242.05891	69.7
243.06656	100.0
252.72163	1.3
297.06174	1.4
298.05649	1.5
319.99475	1.4
357.97867	1.3
405.12003	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55775	1.1
59.01385	12.5
69.03460	76.0
69.53867	1.3
71.01382	5.1
73.02952	1.1
75.00875	1.5
79.01885	10.0
81.03472	3.2
85.02944	9.0
86.35864	1.2
93.03449	13.5
95.01392	2.7
97.02953	45.6
101.02434	1.5
103.04034	1.9
107.01395	57.5
108.02176	14.3
108.84618	1.3
109.02972	8.5
120.22771	1.4
121.02964	37.3
123.00883	11.2
125.02448	100.0
129.01923	1.6
135.00864	1.5
135.04547	16.0
136.01704	3.3
137.02440	11.1
139.04015	58.6
148.98090	1.4
149.02469	3.2
150.99168	2.8
151.00388	80.9
152.01120	1.5
153.01935	13.4
163.04057	6.7
165.12862	3.0
171.97523	1.3
173.04526	2.5
177.01959	7.5
183.13885	8.7
191.05620	5.8
195.05101	1.8
197.06032	5.9
227.12936	6.8
241.81770	1.5
242.05898	83.5
243.06647	36.1
285.07681	3.1
297.06232	17.8
369.11874	6.0
405.11813	16.6
405.16937	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1196
Annotation	Poliothyrsoside
Peak:m/z	Relative Intensity
56.88834	0.2
57.17234	0.2
59.01395	3.9
65.77477	0.2
71.01405	1.1
85.02966	0.3
89.02468	1.0
92.10800	0.2
93.03475	0.5
94.70419	0.2
101.02422	0.4
102.10870	0.2
121.02963	100.0
122.03318	0.4
171.28258	0.2
183.10353	0.2
262.96124	0.2
363.70053	0.2
405.21576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1196
Annotation	Astringin
Peak:m/z	Relative Intensity
59.01391	1.3
67.03782	0.3
72.27725	0.3
72.92964	0.3
80.02712	0.7
91.01899	24.5
92.10057	0.6
95.01395	0.7
107.05045	0.7
108.02189	32.2
109.02968	6.4
111.14686	0.3
121.02978	1.2
123.00892	8.5
124.01645	0.6
135.00897	20.3
137.02452	5.6
152.01176	24.2
153.01938	0.5
164.63298	0.3
169.06581	0.3
197.06120	1.8
199.07623	0.5
213.05623	1.9
215.07179	1.7
225.05525	0.3
243.06665	100.0
244.07008	0.6
374.52191	0.3
405.11993	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	405.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21879	0.3
55.01892	0.4
58.73466	0.3
59.01396	12.2
59.01691	0.5
65.03976	3.5
67.01906	1.6
71.01400	2.0
75.27142	0.3
85.02964	0.8
88.17281	0.3
89.02473	0.5
91.01901	49.2
93.03479	0.5
107.05034	3.1
108.02183	4.6
109.02966	29.7
113.02486	0.5
119.04993	0.4
121.02982	2.4
121.06596	0.7
123.00864	0.7
123.04521	0.4
133.02957	0.7
135.00894	100.0
137.02454	4.1
138.03259	0.3
147.04527	0.4
149.02473	1.7
151.04089	0.5
153.01956	53.6
161.02443	0.6
175.04019	4.2
177.01935	1.6
183.13901	0.6
189.01993	0.4
191.05554	0.8
197.06084	0.7
199.07706	0.5
225.05582	1.2
243.06633	10.0
297.06213	9.9
405.11993	8.3
405.21133	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94800	0.4
55.01888	1.0
57.03457	2.2
58.00594	1.2
59.01390	49.7
60.94636	0.5
61.98845	1.0
68.84114	0.4
69.61293	0.5
71.01388	37.0
72.99306	3.3
73.02943	3.8
73.17220	0.6
75.00867	2.1
83.01406	1.3
85.02952	7.2
87.00340	0.8
87.00881	24.0
89.02442	16.0
95.01395	0.7
96.96013	3.3
99.00893	0.8
99.92606	1.2
101.02449	10.3
113.02454	7.5
114.93452	0.8
115.00382	56.5
115.04002	0.7
116.92867	9.8
119.03497	6.1
119.05043	5.0
131.03531	0.6
133.53870	0.6
135.02986	0.8
143.03542	1.0
147.03004	0.6
149.04587	0.6
159.02959	0.5
161.04539	3.4
163.03972	1.0
163.26616	0.5
175.02496	100.0
179.03490	0.5
179.05603	3.4
184.08839	0.5
191.05591	0.6
193.05096	3.6
200.78365	0.6
207.06686	0.9
233.04488	1.1
241.00177	1.2
271.08453	4.6
300.56961	0.5
309.06210	0.6
345.15454	1.2
367.15839	0.5
375.85696	0.5
402.85120	0.5
405.06125	1.8
405.21719	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	405.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23185	0.7
55.01900	0.8
57.03455	1.4
59.01386	100.0
61.98832	0.9
71.01385	22.3
72.99288	1.0
73.02945	36.1
73.03362	1.4
73.38251	0.7
75.00888	1.6
83.01392	8.5
83.05050	1.3
85.02963	5.0
86.14149	0.7
87.00857	0.8
87.04479	0.8
89.02456	8.3
92.10175	2.0
93.03455	7.4
96.95969	0.9
101.02448	23.5
109.06605	5.8
113.02448	7.5
119.03504	1.7
121.02985	10.1
122.58200	0.9
125.09728	2.1
129.09250	3.0
131.03484	1.3
135.04584	1.0
137.02481	3.4
139.00389	1.5
141.09247	1.3
143.03497	1.5
149.04555	5.1
155.03511	1.2
161.04590	8.1
164.68506	0.8
173.04546	3.7
176.56802	1.0
191.05606	6.2
197.11676	1.0
209.15503	1.2
221.06587	1.0
225.11343	0.9
225.18639	1.5
243.12248	1.2
301.20273	3.8
319.21323	30.6
347.60403	1.3
361.22360	12.1
362.32977	0.9
405.17474	4.1
426.59476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23180	0.2
59.01397	0.5
60.70513	0.3
61.21423	0.3
61.98845	100.0
85.59005	0.3
119.18137	0.3
127.86497	0.3
191.05576	0.4
252.23918	0.4
377.39072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56210	0.4
53.83485	0.4
55.99603	0.4
59.01395	2.1
60.26617	0.4
61.98846	3.2
64.01933	0.7
64.34696	0.4
66.03513	0.7
71.01378	3.6
72.00912	6.1
74.02481	4.4
80.05067	60.8
81.05418	0.5
83.02524	2.0
84.00925	2.0
86.99317	0.5
93.03469	10.3
94.49342	0.5
97.00424	1.9
98.01242	6.4
98.06120	0.8
99.02014	1.0
100.00421	0.5
100.07704	0.8
106.04266	1.0
107.05060	2.6
108.02200	0.6
110.01208	0.9
111.02027	12.3
112.02794	7.5
113.03577	0.5
115.08788	15.7
116.07155	3.5
117.03478	1.0
119.05029	32.7
121.02938	2.4
122.93224	0.5
125.07216	3.5
126.05618	2.3
133.03017	0.5
133.05359	6.7
134.06134	14.2
135.04494	0.8
136.06419	3.0
136.07535	0.9
137.07213	0.6
141.06721	100.0
141.10361	3.0
142.05133	0.9
152.05876	1.1
152.59985	0.5
153.06673	0.8
154.07484	3.1
155.08296	10.6
157.05365	0.6
161.10864	3.0
162.03244	7.2
162.05620	2.2
162.11647	0.5
163.04021	23.8
173.04633	1.9
173.09367	1.2
174.05667	1.1
175.34521	0.5
179.03418	0.6
179.11917	10.0
180.06680	67.4
199.05260	0.8
199.07138	1.5
200.05965	4.7
211.14577	3.6
212.12999	0.7
216.10190	0.5
217.13544	1.8
218.06998	3.3
218.11842	1.9
223.10924	17.6
233.13002	2.0
235.14473	2.7
237.16156	3.5
243.07083	0.6
243.11382	5.1
261.12494	6.0
267.13513	2.8
279.13547	12.5
298.14072	0.8
305.11517	7.6
360.19000	0.5
373.17944	0.6
374.18518	9.8
404.18335	99.7
405.18665	2.2
406.17468	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	404.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	1.3
61.98846	4.1
63.66330	0.5
69.98077	0.5
69.99771	0.5
71.01395	3.1
72.00922	4.6
74.02482	2.6
80.05064	46.6
83.02527	1.1
84.00925	1.1
85.02959	0.8
93.03471	6.6
97.00476	0.7
98.01202	4.1
98.93690	0.6
99.02029	0.7
100.00429	0.6
106.04271	1.1
107.05056	0.8
107.20788	0.5
111.02013	10.4
112.02810	5.1
115.08790	12.6
116.07185	3.3
117.03467	0.6
119.05032	26.6
121.02934	3.4
122.03381	0.6
123.04549	1.1
125.07210	2.4
126.05530	0.5
133.05336	4.0
134.06125	8.7
136.06416	2.8
141.06718	87.7
141.10399	1.4
142.05144	0.7
153.06743	1.0
154.07471	3.7
155.08279	8.9
160.91556	0.5
161.10831	2.2
162.03210	5.3
162.05629	1.1
163.04024	18.8
164.68312	0.6
166.32076	0.6
173.09407	1.2
179.11913	7.3
180.06686	58.0
189.41087	0.6
191.05667	0.7
192.25572	0.7
199.07257	1.1
200.05968	3.1
202.08768	0.6
206.10619	0.7
211.14540	2.6
217.13441	0.8
218.06960	3.0
218.11842	0.6
223.10948	15.8
225.27147	0.7
233.12965	0.8
235.14615	1.5
237.16107	2.5
243.11449	3.8
261.12454	4.5
267.13486	1.0
279.13535	10.2
305.11478	4.2
360.19751	1.0
374.18509	9.8
404.18359	100.0
405.18301	1.1
406.17484	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	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66754	33.6
51.67003	41.5
54.72202	42.6
57.74167	43.0
59.01384	100.0
61.98828	81.5
104.65920	43.6
123.98767	48.1
126.13545	43.6
129.03459	48.2
243.27435	45.6
270.28940	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.13766	46.5
61.98832	56.9
63.22147	39.6
82.56538	41.8
92.66947	42.9
99.12044	45.0
104.69251	46.9
105.94248	56.2
212.33508	51.8
338.66888	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88354	11.6
59.01139	11.6
59.01408	100.0
59.87267	11.5
100.43672	13.8
234.07463	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	403.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39063	66.5
75.02560	83.1
75.03233	67.2
84.67814	78.4
111.79156	83.6
150.23630	91.7
169.87361	82.7
172.66006	77.4
195.48096	100.0
214.51424	89.5
250.29353	91.1
272.46054	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1252
Annotation	Forsythide 8-methyl ester
Peak:m/z	Relative Intensity
57.03440	1.4
59.01388	50.6
61.43184	1.2
61.98586	1.4
61.98834	13.3
67.33035	1.4
70.16749	1.6
71.01385	23.7
73.02946	1.5
77.05962	1.6
78.95930	2.5
79.88097	1.7
83.01424	6.4
85.02967	9.5
87.00916	2.2
89.02457	22.8
90.30096	1.7
93.02920	2.9
93.03462	32.5
95.01404	4.0
96.96017	77.3
96.96996	2.4
97.02956	2.2
101.02451	14.4
108.02187	3.0
109.02957	2.3
113.02467	9.9
114.38335	1.7
114.39220	1.9
116.92855	2.7
119.03512	6.4
121.05103	2.8
123.00903	27.2
127.00383	1.9
136.01675	3.0
136.98866	1.9
137.02461	67.2
138.03249	16.1
139.00386	14.4
148.64915	1.5
152.01114	2.9
152.04832	2.2
153.01773	1.8
153.05605	7.1
161.02419	6.0
165.01988	17.2
177.01938	2.7
178.02345	6.6
179.03522	8.1
180.04239	7.8
191.05687	2.1
193.01456	42.6
195.06654	2.3
208.03830	60.5
223.06172	100.0
285.54581	1.5
340.07217	2.0
403.12506	47.8
403.17233	2.7
416.58075	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	403.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.99868	0.9
57.03450	1.1
59.01390	24.6
61.98840	6.0
71.01385	14.5
72.99332	0.8
73.02943	1.4
75.07416	0.9
78.95913	3.8
83.01384	1.4
85.02957	6.4
87.00891	1.0
89.02451	10.0
93.03460	45.2
95.01381	1.6
96.96009	53.2
99.58797	0.8
101.02454	11.8
108.02177	1.2
109.02964	2.0
113.02422	4.0
118.98289	0.9
119.03533	3.6
121.05055	8.0
131.03673	0.9
135.04454	1.2
135.81888	0.9
136.01627	4.6
137.02444	100.0
151.04077	1.0
153.01955	1.4
161.02481	1.8
161.85027	1.0
168.00542	1.0
177.01971	3.0
178.02225	4.5
179.03513	12.1
191.05666	5.5
203.16899	0.9
211.65047	0.9
221.04713	1.4
228.98123	1.1
239.05666	4.6
281.06650	1.3
403.12494	71.8
404.12231	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70795	1.1
57.21441	1.0
59.01391	9.0
60.30258	1.0
61.98832	8.4
63.13008	1.0
69.80175	1.1
71.01411	1.8
73.02971	1.5
87.00881	2.3
93.72748	1.0
109.03001	1.6
113.03386	1.3
121.02962	100.0
133.02950	2.4
134.03769	2.8
135.04507	2.9
136.00674	1.0
137.02469	1.9
161.68654	1.2
178.02774	2.9
179.77866	1.1
189.05461	3.5
306.07593	6.7
306.61414	1.2
327.90530	1.3
384.46808	1.5
386.62842	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86197	0.3
59.33499	0.4
59.83661	0.3
61.98836	100.0
62.52752	0.3
63.74052	0.3
64.53297	0.3
64.93092	0.3
74.58926	0.3
89.08369	0.3
99.39276	0.4
99.92587	0.9
120.89649	0.8
131.06444	0.4
143.27194	0.3
154.52518	0.4
157.27579	0.4
165.32265	0.4
277.90256	0.4
298.98392	0.4
327.26956	0.4
402.14557	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	403.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27559	0.2
54.12060	0.2
59.01386	0.4
65.03967	0.2
73.31925	0.2
93.03459	89.7
94.03790	0.3
107.05032	1.7
114.78529	0.2
121.02955	8.0
123.04559	0.3
133.02959	0.4
135.04524	2.0
137.02457	100.0
138.02789	0.4
149.02455	1.0
151.04033	12.7
151.05257	0.5
179.03526	6.9
179.05078	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	0.2
63.19258	0.2
72.21226	0.2
77.50581	0.2
81.61059	0.3
93.03459	100.0
94.03782	0.3
121.02969	3.6
137.02455	98.0
138.02812	0.5
147.46370	0.3
156.17346	0.3
174.29323	0.2
190.67117	0.2
197.15451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
59.38159	0.2
61.60448	0.2
64.25400	0.2
66.87842	0.2
71.01376	0.4
76.68761	0.2
77.51567	0.2
85.72176	0.2
92.10181	0.5
93.03458	100.0
105.01920	0.3
121.02970	3.6
123.81738	0.2
124.68787	0.2
137.02452	76.7
138.02798	0.3
147.03954	0.3
168.05711	0.2
169.06635	0.6
170.32121	0.2
191.05615	0.4
197.06128	4.1
211.12692	0.2
225.11502	0.3
250.71700	0.2
277.97894	0.3
403.10629	1.1
403.23590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07224	0.1
53.02393	0.1
55.31678	0.1
59.01399	1.4
59.32647	0.1
61.98838	0.2
62.93639	0.1
65.03967	0.1
68.95074	0.1
71.01406	0.3
72.18940	0.1
81.03471	0.5
81.42284	0.1
85.02954	0.1
93.03475	0.8
108.02187	0.8
109.02969	1.5
113.02473	0.1
118.13896	0.1
119.01333	0.2
121.02952	5.8
133.02994	1.2
134.03760	0.3
135.00883	0.2
135.04509	1.5
136.01662	2.2
137.02449	100.0
138.02808	0.5
144.65117	0.1
149.09688	0.1
150.03259	0.3
173.04523	0.2
178.02705	0.3
179.03462	0.2
191.05528	0.2
281.06506	0.2
306.07526	0.5
323.18777	2.5
329.22192	0.2
403.10291	4.7
403.14450	0.4
407.03406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32602	8.5
54.48655	6.9
55.95881	8.1
55.96663	8.2
57.90152	6.2
59.01388	100.0
61.98838	31.8
62.93215	6.8
71.01405	12.2
72.99291	7.5
78.90765	7.9
89.02457	36.7
95.72980	8.3
101.45116	8.5
111.01251	9.9
113.02452	13.0
113.12273	7.7
121.02961	53.4
152.23785	8.3
161.84528	7.6
171.99052	8.4
313.07153	9.7
341.10825	17.3
410.18951	10.8
415.83160	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	401.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.43648	0.5
61.98845	2.4
62.77481	0.4
69.23272	0.5
71.01408	1.2
71.59921	0.4
72.99284	0.5
77.86039	0.5
89.02452	2.5
92.10078	0.8
101.02465	0.9
121.02945	5.1
157.19308	0.5
179.05579	0.6
204.62689	0.7
224.88628	0.5
226.62572	0.5
341.10965	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	402.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62230	7.4
59.01409	10.9
61.98835	100.0
85.93574	6.6
97.99205	7.5
104.36362	6.6
129.73360	6.8
200.91855	6.7
233.96974	6.5
383.35867	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	401.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	5.6
65.50984	0.3
68.50844	0.2
71.01391	3.6
74.12198	0.3
76.87952	0.3
85.02955	1.9
87.00899	0.3
89.02492	0.5
93.03462	0.6
99.00927	0.5
101.02459	1.3
113.02451	0.3
115.84093	0.3
119.03531	0.3
120.03329	0.3
121.02961	100.0
122.03282	0.5
123.49789	0.3
135.04535	30.6
135.06625	3.7
144.04417	0.3
147.04443	0.3
160.59277	0.3
163.04015	2.9
164.04822	2.1
179.07195	1.3
191.05608	0.5
223.06082	0.4
232.57021	0.3
263.82996	0.3
279.10843	1.1
351.10110	0.3
401.14484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94292	10.6
58.40570	11.1
59.01375	100.0
59.72270	11.6
61.98843	25.5
67.95823	9.6
71.01410	21.2
85.02961	10.8
87.43404	10.4
89.02484	45.2
101.02451	13.6
121.02989	62.8
139.72559	11.7
146.81757	11.1
341.11041	50.2
386.11606	12.5
422.06876	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	401.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25897	12.0
57.34515	11.5
59.01403	100.0
59.11740	11.2
61.98850	56.2
63.48111	11.2
71.01384	27.9
71.09238	10.1
72.04762	13.0
88.98840	12.4
89.02454	25.7
105.54202	12.3
113.02490	12.3
121.02966	93.4
167.98521	11.6
307.82855	12.5
341.10968	17.2
401.08740	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	401.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	6.1
57.03454	5.4
59.01385	56.9
61.37561	1.4
71.01383	69.6
72.99293	2.4
73.02946	29.9
75.00870	31.4
83.01389	13.7
85.02951	27.8
87.00874	1.8
89.02460	15.0
95.01391	5.6
97.02970	2.1
99.00893	16.2
101.02439	47.1
107.05031	1.6
113.02464	21.2
115.04046	1.7
117.01976	1.6
121.02957	100.0
122.03373	1.7
125.02485	2.1
131.03584	1.5
135.04533	84.6
159.03020	5.8
161.04587	23.4
163.04048	10.7
223.06163	1.5
233.06815	1.8
269.10358	47.5
401.10794	45.5
401.14679	44.5
408.24902	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1457
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
54.83319	1.3
55.01891	10.5
57.03461	6.2
59.01386	44.4
71.01384	68.9
72.99338	1.8
73.02944	25.4
83.01386	15.7
85.02953	39.6
85.03448	1.4
87.00877	1.6
89.02463	8.5
95.01413	2.2
99.00880	13.2
101.02448	51.3
113.02458	29.7
121.02960	7.6
125.02435	2.1
135.04515	7.6
143.03535	3.1
159.03024	2.6
161.04579	37.9
191.05702	1.4
200.41838	1.6
263.94843	1.3
264.41699	1.4
269.10342	100.0
341.10843	1.8
401.14911	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	401.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34261	0.7
59.01389	100.0
59.47201	0.7
61.98846	1.3
64.18147	0.8
70.30933	0.7
71.01389	1.7
73.02951	1.0
86.71420	0.9
89.02462	1.3
91.01906	1.1
96.80972	0.8
101.02458	1.1
108.02198	9.2
109.02980	7.7
113.02494	0.9
116.12012	0.7
121.02996	3.1
129.02043	0.9
135.04506	1.2
146.03766	30.1
149.00713	3.7
151.02231	15.3
152.01212	4.6
153.01955	3.3
161.06117	11.3
163.04021	1.2
164.04811	22.5
168.43713	0.9
173.04501	1.3
179.07153	48.6
191.05634	4.8
192.99620	1.6
195.01273	5.3
239.00212	8.9
248.14430	1.0
311.67560	0.9
341.10825	1.0
357.08185	1.1
358.81815	0.7
401.10959	3.7
414.51572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05914	0.4
57.03449	0.7
57.14157	0.4
57.23990	0.5
59.01389	100.0
71.01397	2.3
75.00880	2.2
85.02979	1.3
87.00887	0.8
88.98827	0.7
89.02493	0.6
89.28990	0.5
90.09855	0.5
91.04137	0.6
92.00833	0.5
93.03449	1.1
97.06610	0.6
105.65846	0.5
121.02962	61.1
123.83910	0.5
129.01984	1.0
133.02953	0.6
134.03737	2.0
135.04539	8.0
177.04115	4.6
179.10843	1.3
191.05646	10.4
195.05203	0.5
213.27649	0.6
302.51938	0.6
317.60193	0.6
357.15549	0.6
401.14584	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	401.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03475	0.6
59.01400	12.1
71.01389	7.4
72.99358	0.9
73.02975	2.3
75.00877	3.3
83.43152	0.6
85.02975	1.5
87.00899	2.5
87.04552	0.7
89.02462	3.0
92.10719	0.9
93.03481	4.0
101.02451	2.6
111.00910	2.2
113.02504	1.3
117.05551	1.2
121.02962	100.0
135.02975	0.7
135.04535	16.9
135.06648	2.8
136.28156	0.7
160.00453	0.7
163.04034	0.7
173.04581	0.8
191.05611	4.5
225.90036	0.6
279.10849	0.8
283.10406	0.8
285.04095	0.8
341.10995	2.6
401.10681	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	401.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85538	0.3
56.21265	0.3
57.44602	0.3
59.01394	6.0
61.98850	0.4
63.80164	0.3
71.01411	3.3
72.99335	0.4
73.02969	1.9
76.58527	0.3
85.02978	0.8
87.04539	0.5
89.02474	0.7
92.10876	0.6
94.55804	0.3
94.88067	0.3
99.00867	0.4
101.02460	0.6
117.05584	0.7
121.02966	100.0
122.03313	0.6
135.04541	17.9
135.06654	6.9
163.04041	1.5
191.05704	0.5
193.64194	0.3
194.74463	0.3
197.71481	0.3
223.06223	0.4
279.10846	1.8
401.14606	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	401.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03028	0.5
55.01898	0.7
58.00596	0.8
59.01387	24.7
71.01382	14.4
72.04760	0.5
72.99294	2.3
73.02956	2.9
73.51315	0.5
75.00874	32.2
80.04032	0.6
83.01379	0.9
85.02953	4.6
89.02451	6.8
92.10798	2.1
99.00884	3.7
101.02449	5.7
109.99671	0.6
113.02459	2.6
116.92834	1.5
117.01927	2.3
119.03488	1.0
121.02959	100.0
131.03534	0.7
135.04533	87.8
161.04515	0.7
163.03992	8.7
173.04485	0.8
191.05586	8.4
223.06105	1.3
230.48712	0.7
230.51154	0.8
249.98215	0.6
269.10300	1.2
401.10852	64.9
402.10831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50824	0.9
55.01887	1.3
57.03466	1.3
59.01390	97.5
66.04507	1.0
71.01389	58.0
71.01783	2.0
73.02977	1.3
83.01423	2.0
85.02966	10.0
87.00882	2.7
89.02449	82.3
89.10458	1.2
92.10049	1.1
95.01371	2.0
101.02441	35.0
108.02141	1.6
109.02938	2.4
112.96761	1.1
113.02457	24.3
119.03497	23.9
131.03510	2.5
139.29628	1.2
143.03508	2.5
161.04581	5.8
179.05603	23.1
191.05374	1.3
209.06711	2.2
341.10938	100.0
374.84143	1.3
401.10873	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	5.4
59.92820	0.3
63.37638	0.3
67.01902	0.6
69.32635	0.4
71.01393	4.4
73.02950	1.9
74.05437	0.4
85.02989	3.6
85.56355	0.4
87.00898	0.4
89.02492	0.8
92.10774	0.7
93.03466	2.8
99.00940	0.4
101.02451	1.9
113.02469	0.7
121.02969	100.0
125.02444	0.5
133.04962	0.4
135.04544	20.0
135.06660	3.8
137.02480	0.5
147.04445	0.4
151.50307	0.4
158.25668	0.4
162.67690	0.4
163.04071	2.8
173.04530	1.8
191.05675	7.2
223.06236	0.6
225.49995	0.4
279.10788	2.1
295.09903	0.5
401.14349	0.8
401.18713	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73754	1.8
59.01409	8.2
60.27113	1.8
62.10846	2.0
62.64075	1.7
68.99843	2.9
71.01402	9.0
72.99322	2.4
73.02961	1.9
85.02985	4.8
87.00883	65.4
87.01370	3.1
89.02461	3.2
101.02490	3.9
113.02452	3.8
123.00897	4.5
138.03244	4.5
149.02501	7.9
151.00432	3.1
153.05507	2.3
161.02467	12.9
163.04025	26.8
163.40266	2.0
164.04776	19.5
165.02032	2.0
165.05563	8.1
166.02756	9.5
174.50072	1.9
175.03929	2.3
176.04877	16.1
177.01962	3.3
177.05544	2.5
178.06387	25.8
179.03564	18.5
179.07146	44.9
181.05067	8.9
187.04024	4.1
191.03546	32.5
191.07214	9.6
193.05089	14.0
193.08696	3.1
194.05896	14.0
197.20938	2.1
203.03560	11.4
204.04251	2.9
205.05128	11.2
206.05870	10.3
207.06699	3.3
209.08249	13.8
218.05911	3.1
219.03041	4.9
220.03757	2.3
221.04581	3.6
221.08238	9.4
234.05515	2.7
235.02515	2.7
235.06216	3.3
236.06966	3.2
237.07729	2.3
247.02599	8.4
247.06233	2.5
249.07599	4.1
250.04977	2.1
261.07687	2.2
262.04834	13.3
265.07214	68.3
277.07202	39.0
295.08276	69.0
317.36960	2.5
341.11078	4.9
355.10434	12.4
383.09805	4.0
401.11008	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	401.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43435	1.0
59.01385	13.7
61.76928	1.2
68.99802	1.5
71.01376	16.5
72.99306	2.3
73.02951	7.4
85.02966	8.2
87.00878	71.8
87.73991	1.4
89.02438	11.5
89.66727	1.7
96.96011	1.7
97.02971	2.1
99.00900	2.1
101.02426	6.0
108.02232	2.7
109.02982	3.0
111.00916	2.2
113.02455	7.4
121.02950	2.2
131.03474	1.9
137.02425	2.0
149.02437	5.8
149.03487	1.5
151.00412	2.1
152.01141	1.7
161.02431	6.4
164.04793	32.9
165.05537	11.0
166.02745	13.5
176.04750	2.0
176.50322	1.3
177.01938	3.5
177.05598	1.6
177.81465	1.6
178.02739	1.9
179.03551	32.2
179.07147	67.9
181.05112	12.7
187.03966	2.5
191.03499	3.2
192.04358	2.1
193.05054	15.9
194.05861	25.2
201.01939	1.5
203.03481	2.1
205.04971	1.9
206.05878	1.8
207.03040	1.9
207.06680	2.4
209.08250	30.5
217.18098	1.5
222.05284	2.9
231.02985	2.7
233.04665	1.5
237.07579	3.1
246.05252	1.7
249.07721	2.2
250.04865	2.9
261.07861	2.7
265.07214	100.0
280.89615	1.6
325.09402	20.4
341.10977	7.2
357.08334	1.8
383.10251	2.0
401.10980	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03492	0.5
59.01387	9.8
61.98851	1.2
71.01385	6.6
71.01712	0.5
72.99328	0.6
73.02964	0.9
81.03496	0.9
85.02949	4.0
87.00906	0.6
89.02442	5.3
93.03476	2.7
95.01424	2.5
96.96037	2.8
101.02458	2.5
106.37786	0.5
107.05071	0.8
108.02184	100.0
109.02964	61.4
113.02509	1.2
119.03550	1.3
121.02966	2.3
123.00890	1.2
123.04460	0.5
133.02971	2.3
151.02301	0.5
151.04013	1.1
152.01167	57.8
153.01959	32.6
177.01903	2.4
179.03587	0.6
179.05643	0.8
182.89731	0.6
183.29846	0.7
191.05595	5.2
192.63873	0.6
272.79291	0.7
315.07285	5.3
341.11087	3.0
357.08319	60.8
401.15091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38970	0.6
55.01883	4.3
59.01391	10.7
61.98846	6.6
61.99115	0.8
62.31715	0.7
65.51907	0.6
66.64675	0.6
70.46097	0.6
71.01377	19.6
73.02943	4.4
74.62414	0.7
75.00871	21.5
85.02958	3.7
87.00870	11.9
89.02427	8.6
91.04045	0.8
92.10126	1.2
93.03461	2.6
99.00903	5.3
101.02449	7.1
108.02203	9.3
109.01793	0.7
109.02944	11.7
115.00372	21.4
117.01936	9.5
119.03527	1.0
119.05090	0.7
121.02955	100.0
122.03290	0.9
126.43007	0.7
135.02971	2.7
135.03540	0.7
135.04524	15.5
136.13893	0.7
137.02481	1.4
141.94266	0.7
149.00679	1.3
152.01187	6.0
153.01947	7.1
153.03012	1.0
163.03995	1.4
173.04503	1.6
174.04846	1.3
181.07198	29.4
191.05600	6.8
192.05934	1.6
192.99603	1.3
193.05043	0.9
229.10236	0.7
279.07230	3.6
338.09769	1.1
341.08664	7.3
350.29657	0.7
401.10947	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61105	13.2
59.01395	100.0
61.98841	57.9
91.15064	12.4
114.20088	13.8
153.37869	13.2
195.65530	17.4
234.97665	17.1
273.54770	15.7
399.34897	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	399.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27779	0.5
53.60530	0.5
54.82832	0.7
61.98836	100.0
68.44212	0.5
71.14474	0.5
82.02470	0.6
87.40911	0.7
109.15470	0.5
123.46015	0.6
417.97336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39609	2.2
53.96383	2.1
54.10255	2.0
59.01393	100.0
64.34798	2.1
68.12518	2.1
80.79439	2.0
82.59686	1.9
94.33441	2.2
99.92583	3.5
142.00436	2.2
153.34671	2.1
181.87424	2.6
225.05913	2.4
320.87436	2.3
396.52051	2.8
401.68198	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	400.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	86.9
74.66533	99.6
76.14153	71.4
86.08112	81.0
98.31179	94.4
101.09090	72.7
116.17490	76.4
116.77349	100.0
140.45386	81.3
146.48947	83.3
149.40964	74.8
201.85114	80.6
271.01202	86.4
290.25308	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
57.03471	0.7
57.42644	0.4
58.99607	4.3
59.01108	0.9
59.01389	17.9
59.23472	0.4
61.98576	0.5
61.98831	4.2
63.02422	0.4
69.03472	0.5
71.01381	10.2
73.02971	2.0
75.00892	3.0
78.95912	0.7
82.53958	0.5
83.01395	0.5
85.02974	3.0
87.00889	1.1
89.02452	7.6
91.01889	11.6
91.05524	0.6
93.03468	3.2
94.98146	0.5
96.20664	0.5
96.96003	6.7
97.72595	0.5
99.00865	0.6
100.43078	0.5
101.02427	5.3
107.05070	0.8
108.02187	14.1
109.02953	10.3
113.02477	3.0
115.00388	5.0
119.03535	2.7
119.05049	1.2
121.02953	12.4
124.66047	0.5
131.03574	0.6
134.03793	0.7
135.04524	12.1
137.02412	0.9
144.16270	0.5
147.04567	0.6
149.00670	6.7
149.02473	1.1
150.01448	1.1
151.02251	100.0
152.01180	8.5
152.02464	0.7
153.01930	4.8
163.02452	1.7
163.04025	4.7
164.04756	0.7
173.04517	0.8
175.04034	0.6
177.01959	1.0
179.03633	0.7
179.05711	0.7
179.07207	2.2
181.07198	6.5
189.07074	0.6
191.05664	8.7
192.99669	7.4
193.05096	0.9
195.01245	39.1
209.02832	3.2
223.06187	0.8
227.07146	1.0
239.00247	46.2
239.09222	1.9
279.07352	0.7
281.01318	3.9
315.07239	0.8
316.46130	0.6
341.03647	1.1
341.11139	4.3
357.08273	8.0
392.99933	0.5
401.10742	10.4
401.14539	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92796	2.3
59.01391	17.6
62.01312	2.1
132.92406	2.8
163.11304	22.6
283.17032	4.4
339.23364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84496	0.2
55.01902	0.4
57.03462	0.2
58.00626	0.3
58.90871	0.2
59.01397	100.0
61.38861	0.2
63.71791	0.2
67.78715	0.2
68.99593	0.2
69.63744	0.2
71.01398	4.5
72.99313	0.3
73.02961	1.4
83.01414	1.1
85.02970	2.6
88.74040	0.2
89.02443	0.5
89.14604	0.2
92.10754	0.3
93.03468	0.9
95.01376	0.2
99.00891	0.3
101.02454	2.8
113.02445	1.1
119.03510	0.3
121.02966	13.5
137.02493	0.3
143.98563	0.2
161.04562	1.4
209.03311	0.2
214.36775	0.2
284.35559	0.2
399.23984	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82856	0.5
57.03440	0.5
59.01389	100.0
61.98837	14.9
69.27383	0.4
69.37983	0.4
70.85075	0.4
71.01390	3.9
73.02974	0.7
83.01405	0.6
85.02967	1.2
89.02411	0.7
90.12056	0.5
92.10761	1.1
93.03452	2.2
101.02497	0.8
111.34124	0.6
113.02486	0.5
115.00378	0.7
121.02964	25.6
122.03306	0.7
135.04535	25.7
138.70073	0.5
149.24515	0.5
163.04021	3.0
173.04582	0.9
191.05640	4.3
223.13501	0.7
299.32880	0.7
338.60519	0.5
399.12891	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	399.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82494	0.3
58.06262	0.3
59.01395	4.2
71.01402	3.5
73.02946	2.9
85.02951	2.3
86.00114	0.5
87.00871	2.2
89.02457	0.5
89.27220	0.3
101.02444	0.5
113.02464	1.2
115.04014	1.9
121.02963	100.0
122.03294	0.4
131.03510	0.7
135.04536	24.2
163.04047	2.7
193.05067	0.4
325.09369	1.8
362.37570	0.3
396.18082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41673	1.2
57.03457	4.9
59.01386	20.7
63.16053	1.1
71.01382	100.0
71.34121	1.1
72.99307	45.6
72.99689	2.1
73.02976	1.4
73.82805	1.1
75.00838	1.2
82.98552	1.2
85.02969	4.9
87.00340	1.7
87.00875	51.1
89.02448	1.6
90.38794	1.0
92.10733	2.4
96.96046	4.7
101.02449	4.4
101.06093	5.2
115.00366	26.9
129.01974	7.8
133.01422	2.3
133.07520	1.3
136.63899	1.2
137.70723	1.1
147.03009	68.9
147.06635	14.3
151.65082	1.4
161.04570	1.4
163.36501	1.2
170.34871	1.2
207.08734	5.5
213.66463	1.2
339.13055	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	397.333
Annotation	Lauroyl peroxide
Peak:m/z	Relative Intensity
50.02332	2.8
50.34188	2.6
52.98455	2.5
58.58213	2.4
59.56777	2.6
60.69841	2.8
61.87384	2.8
71.29931	3.2
73.75455	2.8
74.03659	3.0
74.36269	2.7
76.56429	2.7
92.10107	6.7
95.24468	3.0
335.33261	92.2
379.32248	20.8
397.33270	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	398.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94713	2.6
59.01399	11.7
61.98849	2.4
72.12421	2.5
74.02487	12.8
92.10104	8.3
96.03321	4.9
97.04088	13.3
122.74899	2.5
126.37962	2.7
149.29738	2.3
157.08868	2.8
168.12207	2.6
191.29398	2.9
218.15521	3.6
233.16689	3.4
236.16537	3.6
239.12067	2.9
249.19823	6.3
264.16046	3.3
275.17639	15.3
293.18768	100.0
320.19650	3.3
337.17801	74.8
346.17346	3.2
364.18857	4.3
371.16547	75.2
374.34329	2.9
398.17426	18.1
409.86560	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	399.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	24.8
67.01919	0.4
81.42000	0.3
83.05080	0.4
83.62250	0.3
87.08007	0.3
93.03462	2.7
100.41006	0.3
109.02955	1.8
121.02964	100.0
122.03342	0.4
137.02489	1.3
155.03529	1.3
192.18317	0.3
197.06227	0.5
241.04961	1.3
259.06076	0.5
277.07214	10.4
399.10892	5.5
399.15735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51205	0.2
52.47309	0.2
53.78933	0.2
59.01395	1.5
60.52145	0.2
65.03973	0.9
67.66219	0.2
93.03463	35.4
101.34502	0.2
109.02971	0.5
116.00748	0.2
121.02959	100.0
122.03312	0.5
137.02454	35.1
155.03511	4.0
169.31601	0.2
172.81834	0.2
186.47020	0.3
220.01057	0.2
277.07227	0.6
399.11014	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	397.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81592	1.1
59.01395	100.0
60.84354	1.0
61.89647	0.9
62.56797	1.0
67.74423	1.2
76.59915	1.0
95.39154	1.2
96.96018	5.2
97.45952	1.1
100.39481	0.9
102.30970	1.3
190.80411	1.1
397.22681	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	397.26
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82779	55.1
55.34576	38.9
59.01398	100.0
61.13050	50.2
62.57492	40.5
74.72690	45.5
94.47304	47.4
96.61228	53.1
126.72015	57.1
155.18958	60.7
328.80597	60.9
332.95486	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76121	5.6
54.82898	5.6
59.01389	100.0
59.50341	5.6
72.26932	5.9
78.95945	11.1
92.10767	8.9
95.11147	6.8
96.96952	6.9
141.01746	7.8
152.99535	8.4
232.97586	16.2
245.12245	7.7
268.25906	8.1
299.20224	11.4
308.29669	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	397.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87369	1.0
55.97593	0.9
58.38296	1.4
59.01386	100.0
62.64542	0.9
66.03090	0.9
79.95721	1.2
88.91743	1.1
96.96008	15.6
110.00135	1.0
130.02518	1.0
130.59544	1.2
136.55188	1.1
145.52335	1.0
152.99606	1.1
177.67593	1.1
181.93524	1.0
197.11789	1.2
397.22946	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	397.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	15.4
57.03460	5.0
59.01387	100.0
61.98835	3.0
65.81573	2.9
71.01385	65.7
71.01735	4.3
72.99316	3.5
73.02943	26.0
75.00880	2.4
76.43925	2.7
78.95898	4.7
83.01396	20.8
85.02955	35.8
88.98821	4.7
89.02446	21.4
93.03457	2.8
95.01401	3.6
96.96018	93.6
96.96930	20.9
99.00907	11.3
101.02442	83.2
113.02444	33.0
116.92867	10.3
119.03477	3.8
119.05031	14.6
135.04512	6.0
161.04562	22.5
163.03957	5.5
171.42529	2.8
177.01848	4.0
181.73146	2.7
191.03929	2.4
191.05637	16.0
194.08466	3.3
204.57797	3.1
224.45564	2.8
230.50998	2.5
235.11900	46.9
287.73190	2.7
397.17218	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03454	0.6
57.62644	0.6
59.01387	100.0
61.87500	0.5
61.98837	2.5
71.01386	11.6
72.99296	0.7
73.02954	8.1
75.00883	0.6
78.95964	0.7
83.01411	1.1
85.02953	5.7
87.00883	0.8
89.02464	5.9
96.02158	0.5
96.96016	17.1
96.96970	1.2
99.00880	0.6
100.63655	0.6
101.02454	11.0
113.02444	5.2
119.03499	2.7
119.04997	0.7
121.02937	4.1
127.05594	0.8
135.02986	0.9
137.75542	0.6
141.41333	0.6
153.05589	1.0
159.02919	0.6
161.04576	3.7
163.04056	1.3
181.07184	1.2
189.05539	0.8
191.05591	1.0
191.07205	0.6
197.04582	6.1
233.04478	0.7
279.71622	0.6
337.18777	34.5
356.60428	0.7
360.83011	0.6
367.19785	0.6
387.53619	0.6
397.11920	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07245	0.3
59.01388	18.7
66.82556	0.3
71.01369	1.6
73.02927	0.7
80.82703	0.3
85.02990	0.7
85.22520	0.3
92.10118	0.6
93.03432	0.5
101.02430	1.3
101.06055	2.3
107.05090	0.3
121.02949	2.1
133.06558	2.5
135.04530	18.0
137.02435	0.5
153.17870	0.3
156.51575	0.3
163.04024	100.0
164.04373	0.6
173.04584	0.5
178.06374	71.7
191.05702	0.4
193.08728	50.9
202.66460	0.3
224.87997	0.3
275.15134	0.6
422.35910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35174	0.3
59.01386	8.6
60.77636	0.4
71.01382	4.4
73.02905	0.5
73.90308	0.4
83.01443	0.5
85.06596	9.3
87.00875	0.7
89.02490	0.6
93.03453	0.9
96.26934	0.4
98.22320	0.4
101.02456	0.7
113.02477	0.7
113.06067	0.6
115.07657	1.0
121.02955	100.0
127.07689	0.7
131.06259	0.6
131.07140	20.0
135.04530	28.7
139.52463	0.5
144.65173	0.5
149.10699	0.4
163.04031	2.5
163.62650	0.4
173.04544	0.4
174.98633	0.4
212.45757	0.4
275.11255	0.5
397.15091	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38737	0.5
55.01888	0.5
57.03474	0.9
59.01388	15.0
61.98855	0.8
71.01385	21.0
71.05022	1.0
72.99306	8.5
73.02946	58.4
73.78572	0.6
75.00890	0.7
75.14449	0.5
77.93001	0.6
78.95903	0.9
85.02962	1.4
87.00873	9.3
88.98808	0.9
89.02448	4.7
92.65636	0.6
96.96014	7.5
96.96991	1.2
99.00880	7.2
99.04530	0.8
99.82763	0.5
101.02459	3.9
101.06064	0.9
106.91460	0.6
109.02919	0.6
110.19738	0.6
113.02476	2.3
115.00397	3.8
116.92872	7.8
117.01945	100.0
117.05618	3.4
119.02436	0.7
119.03455	0.8
119.05087	0.8
121.02972	2.2
122.17815	0.6
128.95255	0.6
129.01971	2.6
133.01442	0.7
133.05051	2.3
135.04535	0.7
138.03352	0.7
147.03015	12.2
147.04190	1.0
147.06682	3.8
151.04082	0.8
153.01825	0.8
165.57317	0.7
173.04692	0.7
177.07607	0.6
179.05682	0.9
181.05084	0.9
191.05672	1.2
197.04637	0.7
199.06146	0.8
217.07198	0.7
241.55710	0.7
261.04184	0.6
279.10825	5.7
315.07144	0.8
337.15115	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	396.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58956	0.5
59.01385	100.0
64.38135	0.6
64.96027	0.7
85.06017	0.7
86.02507	0.7
103.21406	0.7
106.08696	0.6
141.08931	0.7
207.35205	0.7
253.81789	0.7
378.43137	0.8
384.94516	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	18.4
61.98832	1.6
62.48296	0.6
71.01395	7.4
72.99339	0.9
73.02979	4.3
75.00903	0.9
77.29555	0.6
80.60146	0.7
83.01406	5.9
85.02979	3.5
87.00906	6.5
87.01359	0.8
89.02494	2.7
92.10751	1.1
93.03470	0.9
93.82564	0.6
95.25516	0.6
96.96040	1.6
99.00880	7.7
101.02423	2.8
101.06105	4.1
109.02974	14.0
113.02495	1.6
115.00379	17.9
115.01126	0.9
115.07655	7.4
119.03575	1.0
119.05029	1.1
121.02969	1.2
121.06612	3.1
123.00872	0.7
127.00379	1.1
131.04996	0.8
133.02991	6.5
135.03036	3.5
135.04526	5.0
143.07016	0.8
145.02936	3.3
146.03746	1.0
147.04552	9.2
148.05322	3.7
149.06100	100.0
150.03217	0.8
153.01949	0.8
159.04587	1.1
161.02472	24.0
161.06064	2.6
163.04001	4.5
165.05565	3.6
174.03265	1.3
175.02493	8.6
175.04028	13.4
177.01953	14.9
177.05655	1.0
179.03499	0.8
185.76025	0.7
187.04095	1.4
189.05588	4.0
191.03520	1.4
191.07188	1.4
193.05121	12.1
205.05096	3.3
206.02177	3.2
209.04668	0.8
217.05090	2.6
219.03046	25.7
227.02028	0.9
231.06718	1.2
233.04572	12.4
235.06084	1.0
237.04071	34.3
249.07747	3.0
255.05165	1.0
275.05582	1.2
277.03534	10.1
293.06744	9.4
319.04672	1.6
337.05725	40.0
337.18790	3.2
355.06769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68140	0.8
59.01386	100.0
61.98838	1.5
67.81074	0.8
69.27058	1.0
73.33118	0.8
114.39845	1.0
121.49091	0.8
125.62133	1.1
271.64279	1.0
291.97620	0.9
312.40921	1.1
358.95969	1.0
359.81390	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91057	0.5
59.01386	7.3
60.07383	0.6
61.98836	100.0
68.99574	0.9
70.69429	0.6
71.01415	0.8
82.95436	1.3
85.03006	0.8
88.98786	0.6
89.02460	0.7
96.96016	5.7
112.98537	0.8
119.05033	0.9
121.46414	0.6
156.23491	0.7
288.12613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1512
Annotation	R-L3
Peak:m/z	Relative Intensity
57.03465	7.6
59.01391	19.6
59.45431	1.2
61.98841	5.2
62.59034	0.9
64.34911	1.5
66.69476	1.1
71.01394	33.2
71.05024	12.8
72.99326	8.3
75.00883	25.2
85.02967	18.5
87.00888	10.5
88.04055	93.6
88.98794	1.2
89.02475	7.0
93.03500	1.3
96.96021	14.4
99.00894	7.5
101.02464	2.1
111.00902	1.5
116.07211	1.8
125.78471	1.2
129.01915	12.3
135.16258	1.2
137.02425	1.4
146.08263	53.5
159.03000	5.2
177.04073	52.9
195.05112	5.9
208.91628	1.3
218.10390	50.7
264.31085	1.2
336.13782	2.4
396.15192	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	396.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
59.92117	4.4
68.96213	4.6
92.10235	7.2
109.26516	5.0
120.43418	4.8
141.01747	9.3
157.87096	6.4
183.16104	5.0
232.97536	35.1
243.46658	5.0
299.09738	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	395.1562
Annotation	Mirabegron
Peak:m/z	Relative Intensity
52.27494	0.6
57.03461	6.9
58.00613	0.6
59.01393	15.9
69.03483	5.5
69.47570	0.6
71.01382	14.4
72.86308	0.6
72.99320	3.3
73.02973	1.2
75.00880	23.5
78.95919	0.6
83.01419	1.7
84.02197	0.7
85.02952	14.4
87.00883	10.4
89.02458	4.0
93.03444	0.8
97.02951	6.2
98.95603	2.7
99.00867	5.3
101.02447	2.5
109.06612	0.7
111.00900	0.8
113.02490	1.4
116.92064	0.9
121.02998	0.7
125.09711	0.8
127.11275	2.5
129.01949	13.3
131.67984	0.8
137.09724	4.7
141.01956	4.2
142.63509	0.6
153.09219	2.9
155.10796	54.2
159.02975	1.1
165.02037	0.8
167.10750	0.8
171.10289	50.3
177.04073	41.1
185.11864	1.6
191.05661	0.7
195.05139	2.8
199.09790	13.1
217.10847	88.1
231.12378	1.7
234.45248	0.7
241.10873	1.5
259.11932	11.3
319.13998	2.7
377.14590	26.8
395.15631	100.0
396.16074	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	395.2597
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
53.17006	1.8
57.03452	25.1
58.91011	1.7
59.01394	3.3
61.98838	2.3
68.16225	1.7
81.13219	1.7
90.65650	1.9
111.86515	2.2
133.19591	2.0
163.11299	100.0
219.13985	31.7
337.22229	2.6
395.26022	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78547	17.2
61.98843	100.0
86.53860	13.2
88.23998	17.0
152.16783	15.5
276.37372	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	395.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82864	1.1
58.10553	0.9
59.01389	32.7
59.01658	1.9
61.98847	3.0
71.01382	13.5
72.99310	1.5
73.02971	3.0
75.00867	2.0
78.91882	2.7
83.01393	1.7
85.02964	8.4
87.00875	2.2
88.98798	1.3
89.02445	7.2
92.10904	1.2
95.01397	1.6
95.88699	1.0
96.96008	14.4
101.02434	9.1
106.04245	5.3
107.05064	2.0
113.02452	6.3
116.92814	8.6
119.03506	1.3
123.00887	33.0
129.05568	1.6
135.03107	1.9
135.04527	1.4
138.03227	63.9
151.04080	1.7
153.05591	24.3
161.04597	5.1
166.99861	20.0
173.02188	10.6
173.08253	1.6
181.01736	1.5
182.02231	67.8
191.05640	1.5
197.04575	100.0
197.21568	1.4
303.76599	1.4
317.12491	1.3
335.07397	1.5
335.13519	4.7
335.17255	4.2
351.89978	1.4
357.98364	1.4
359.09888	21.8
360.10873	1.3
395.15347	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	393.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	77.4
61.74905	65.5
63.21685	69.5
77.57687	89.6
92.10136	92.2
120.64205	85.5
173.71019	73.9
337.81418	100.0
354.97733	93.3
400.29706	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95233	18.5
59.01393	19.7
77.00059	19.7
79.87534	17.8
94.06578	19.7
110.33344	18.8
149.96593	23.6
153.90591	20.1
217.30049	21.8
238.40202	26.2
333.24518	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	394.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01617	20.0
55.99625	20.1
56.94101	19.9
59.01394	100.0
61.98846	98.4
62.57272	21.8
62.92369	20.1
89.25947	22.2
89.34872	26.4
121.66879	23.6
142.81174	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	393.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	7.6
55.89528	0.8
57.03470	2.5
59.01393	100.0
59.49832	1.0
61.98845	19.6
67.69276	0.9
69.03490	1.3
69.42276	0.8
71.01393	43.6
73.02953	24.6
75.00865	2.0
83.01402	9.0
85.02969	23.6
87.00893	1.8
89.02464	14.2
93.03472	4.1
95.01414	1.7
97.02950	2.2
99.00878	9.2
101.02451	50.4
101.03105	2.3
101.18757	1.1
109.02969	1.5
113.02465	16.4
115.04017	1.1
119.03516	3.8
121.02896	1.0
123.04475	1.0
129.01913	1.0
134.03740	1.3
147.04524	7.9
159.03008	1.5
159.04538	1.2
161.04587	12.8
163.04024	1.5
169.08708	1.0
173.04587	1.9
177.89857	1.2
191.05606	8.9
193.05043	1.8
246.70448	1.2
261.13461	44.2
269.08090	3.8
333.15643	20.5
358.24680	1.0
366.14056	1.0
393.17725	81.9
410.71576	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2137
Annotation	JBIR-56
Peak:m/z	Relative Intensity
54.82913	0.8
55.01886	4.5
57.03443	2.4
58.00600	0.7
59.01389	36.5
69.90638	0.6
71.01392	17.3
72.99315	1.6
73.02954	9.2
75.00881	10.4
83.01395	5.9
85.02968	10.2
85.52407	0.6
86.00133	1.2
87.00888	1.3
89.02460	3.2
93.03502	1.3
99.00883	3.0
101.02457	15.1
111.00850	1.0
112.69754	0.6
113.02436	4.8
123.44975	0.6
129.01869	0.7
135.03008	20.7
161.04604	0.8
173.04607	1.4
183.13919	1.3
185.15485	3.2
187.07687	6.1
191.05615	1.4
200.04665	0.8
213.15042	5.3
227.03476	0.8
231.16147	6.7
257.08197	3.8
333.19418	0.9
356.72720	0.7
375.20316	15.2
393.21384	100.0
394.21671	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	393.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.8
57.58283	0.8
58.00597	1.0
59.01385	59.4
61.98848	2.0
71.01382	25.0
72.99324	4.4
73.02950	19.1
73.03304	1.1
74.43700	1.1
75.00871	10.2
83.01396	1.4
85.02959	14.7
87.00874	9.0
89.02444	21.9
97.02997	1.6
97.06586	21.8
99.00893	4.8
101.02444	13.3
105.98333	1.1
113.02468	7.5
114.38843	1.0
115.96883	0.9
119.03496	8.4
120.43891	1.0
123.04580	1.3
129.01938	8.5
131.03624	1.1
134.03786	1.6
140.58337	1.0
141.05579	15.8
153.09232	4.5
159.03061	1.3
162.03242	69.3
163.03928	2.2
171.10309	5.4
177.04071	27.8
177.05595	100.0
178.05963	1.6
179.05667	4.9
192.16324	1.0
197.08244	1.5
200.76869	1.2
215.09354	10.7
257.10349	1.4
319.10172	2.0
347.17090	1.1
357.12018	9.5
375.13062	6.9
389.38358	1.3
393.13992	43.5
394.62381	1.2
413.23587	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03482	0.5
58.00626	0.9
59.01386	100.0
61.98840	4.8
68.99587	1.1
71.01382	12.8
72.99331	2.6
73.02983	1.3
75.00871	0.7
78.95947	0.7
82.95433	0.7
83.05018	0.9
85.02961	4.3
87.00903	0.9
89.02446	15.3
96.95982	4.9
98.95603	0.8
101.02444	7.5
111.02032	0.6
112.98595	1.0
113.02455	5.9
113.31400	0.6
116.92865	0.7
119.03525	6.8
129.02014	0.5
131.03517	0.7
143.05060	1.0
149.43228	0.6
150.03273	2.6
150.42299	0.7
151.04027	2.5
161.04581	3.8
163.57832	0.7
165.05659	0.8
179.05658	5.5
183.13240	0.5
191.05696	1.0
195.06680	3.1
215.53700	0.7
333.11966	1.3
333.15576	9.2
393.17801	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	393.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16006	2.1
59.01154	2.4
59.01390	23.0
61.98843	4.4
71.01418	3.3
75.00876	3.1
81.03414	2.4
87.00867	3.3
93.03460	24.7
119.05022	21.0
121.03014	3.1
131.05070	5.3
133.02936	3.9
134.03729	6.5
135.02968	5.3
135.04541	12.0
145.02985	5.0
145.06595	4.3
146.03748	6.5
156.05771	3.8
157.06476	3.1
158.03735	4.5
159.04524	34.0
172.05321	3.7
173.04697	7.1
173.06099	12.1
174.03169	3.0
174.06871	23.8
175.07736	4.0
185.06139	4.0
187.04079	11.2
187.07634	5.4
191.05591	25.7
199.07642	10.5
201.05548	6.2
209.06096	4.7
213.05597	4.0
213.09309	5.0
216.07890	3.6
226.06528	2.6
243.10310	3.8
275.09274	11.7
291.10220	3.5
301.08749	25.1
302.09506	49.6
305.11942	29.7
313.12350	5.0
315.10269	5.3
331.13492	100.0
349.14536	94.7
388.36386	2.7
393.13440	6.0
411.20398	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	392.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05034	0.1
59.01391	0.4
61.98836	100.0
65.91403	0.1
85.93526	0.2
92.10776	0.6
138.30901	0.2
141.22147	0.2
168.47791	0.2
191.05632	0.2
221.51540	0.1
329.23694	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49379	0.8
59.01388	100.0
61.98848	4.1
74.28787	0.8
101.20968	1.0
119.62804	0.9
147.89944	0.9
160.97737	0.9
182.67052	1.1
195.24162	1.1
217.00282	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82838	2.7
57.03439	2.6
59.01388	100.0
61.98833	33.4
69.03503	3.2
69.03959	2.7
71.01385	20.4
73.02953	4.4
74.97147	2.8
75.00867	2.6
80.49957	2.5
85.02945	6.6
89.02429	13.6
96.96008	21.9
98.95581	11.6
101.02464	19.0
113.02469	4.8
115.92100	4.1
116.92861	5.8
119.03514	10.1
150.03253	36.5
153.05617	2.7
161.04507	6.3
165.05576	27.4
173.74304	2.8
173.86259	3.0
179.05576	4.4
180.04280	11.6
182.70059	3.3
183.07843	2.6
191.05627	2.7
195.05022	4.7
195.06647	71.8
333.15506	13.6
378.48227	3.0
393.17859	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	391.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
57.03450	0.5
59.01390	100.0
61.98850	4.1
71.01386	14.6
73.02958	4.0
83.01404	1.8
85.02957	5.9
89.02443	12.1
93.03484	0.7
95.01400	1.0
99.00918	0.6
101.02444	12.1
113.02468	6.4
119.03515	4.9
119.05010	0.5
121.02969	0.6
135.02986	0.4
137.02493	0.4
142.12141	0.4
143.03549	0.8
152.83006	0.4
159.03011	0.8
161.04573	8.1
162.67537	0.4
166.92851	0.4
169.12338	0.5
173.04594	0.4
179.05594	2.1
251.07031	0.5
312.24545	0.5
331.17709	42.5
332.18008	0.6
391.19928	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	71.9
69.03453	9.6
74.23189	9.7
76.65370	9.4
80.91695	19.6
92.10828	21.3
92.66453	10.2
102.99689	9.7
119.08641	12.0
137.09723	20.6
138.39944	9.3
156.63966	12.3
158.94612	10.8
171.10266	56.4
183.95021	11.0
185.12000	11.7
207.10097	70.7
212.91991	10.1
262.95477	9.9
291.19604	15.2
309.20853	100.0
313.17911	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98344	3.9
59.01387	85.7
61.98848	5.8
62.71121	4.2
63.37619	4.1
69.03466	6.7
79.66892	4.7
80.91701	7.6
82.06948	4.0
84.66723	4.2
89.66445	4.3
119.08667	20.2
119.96361	5.2
137.09758	34.6
139.11296	10.3
155.10806	4.6
171.10265	100.0
175.31511	4.5
177.88457	5.5
179.10583	5.1
185.11801	21.2
193.08473	11.9
207.10092	96.2
245.19122	5.3
273.19070	7.0
291.19702	32.8
309.20795	82.8
313.17871	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01392	8.4
71.01392	2.8
73.02953	0.7
85.02974	0.8
89.02464	2.6
89.03186	0.3
93.03461	0.4
96.95980	0.4
97.18479	0.3
101.02448	3.6
108.18890	0.3
111.08168	1.4
113.02489	0.5
119.03445	0.3
121.02936	0.5
125.02398	0.4
163.06154	0.7
165.10733	0.3
165.12851	21.3
181.07208	10.5
183.13914	100.0
184.14235	1.4
185.14604	0.6
191.10860	0.3
209.11894	1.8
221.21222	0.4
227.12932	46.4
228.13275	1.4
229.13469	1.5
375.80725	0.3
391.19827	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
59.63494	0.6
60.99320	4.6
61.98846	3.9
64.91840	0.9
88.98806	37.3
110.80652	0.8
117.85281	0.7
118.05469	0.8
121.02953	4.3
121.14386	0.7
135.04530	1.1
161.02541	1.5
280.55658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.3
56.68638	0.3
57.42102	0.3
59.01387	100.0
71.01394	4.6
73.02966	0.5
75.00885	0.4
78.68468	0.4
83.01392	0.4
85.02965	2.4
87.00857	0.4
89.02442	2.7
93.03478	1.7
95.01382	0.4
95.50615	0.3
96.41965	0.5
101.02457	2.6
108.85944	0.4
113.02454	0.9
119.03522	1.6
119.05050	0.4
135.04530	0.6
173.04576	0.6
179.05536	0.8
191.05621	5.9
198.81297	0.4
202.79842	0.4
212.00905	0.4
213.15247	0.4
237.09268	0.5
243.12344	0.5
287.53589	0.5
331.17706	2.6
382.60812	0.4
391.20120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83289	0.4
58.89569	0.5
59.01389	100.0
71.01394	3.5
72.87503	0.5
74.94735	0.6
83.69700	0.5
85.02972	0.9
89.02452	5.5
92.29263	0.5
100.53156	0.6
101.02462	2.2
109.61912	0.5
113.02455	1.0
119.03510	2.5
123.09917	0.6
125.78619	0.5
161.04605	0.7
179.05635	0.8
198.52306	0.5
202.08733	0.6
261.93356	0.6
331.17563	1.0
336.44577	0.6
391.20367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81699	0.5
56.25530	0.5
57.03464	0.8
59.01388	24.5
60.99315	0.6
61.98832	0.8
71.01380	5.8
72.65750	0.5
73.02962	2.1
75.00897	1.3
78.95924	1.1
81.03461	0.5
82.95447	0.7
85.02959	8.2
87.00864	1.7
89.02473	3.2
92.10094	1.1
93.03475	3.7
96.96017	8.3
96.96973	1.1
98.95615	1.1
101.02467	2.3
110.00144	3.5
113.02480	3.5
115.33521	0.5
119.03517	0.6
120.26461	0.5
121.03018	1.0
124.01684	0.8
125.02419	4.3
127.04033	2.3
135.04536	2.5
137.02477	2.3
137.99600	5.6
139.00386	5.2
141.01744	0.5
151.00346	0.9
152.01170	2.7
153.01958	100.0
154.02754	7.5
155.03549	0.8
161.02455	1.0
161.04608	4.4
165.05624	0.8
167.03503	6.9
168.04292	48.3
169.01422	1.1
169.05084	13.5
173.04570	2.8
179.03479	1.4
191.05635	78.0
192.06020	2.9
193.06172	4.3
239.20844	0.5
311.02280	0.6
316.59216	0.6
316.62622	0.6
326.26080	0.6
331.10428	24.1
353.08813	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	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21936	0.3
54.36917	0.3
55.01890	0.6
57.03458	1.0
59.01392	100.0
61.98851	2.2
68.97140	0.4
69.03481	0.6
71.01387	8.0
73.02958	2.7
75.00881	1.1
77.07172	0.4
78.95921	3.8
83.01411	1.1
85.02969	5.8
87.00887	0.8
88.98801	0.6
89.02445	2.3
93.03478	3.2
96.96005	2.2
96.96957	1.7
99.00879	0.8
101.02449	7.0
111.00880	0.5
111.40873	0.6
113.02455	3.3
119.03468	0.9
119.05017	0.6
130.06584	0.5
135.04539	5.4
161.04561	3.0
173.04553	6.0
177.04045	0.9
179.03468	3.4
191.05650	10.1
212.08350	0.5
255.08824	3.0
331.13992	1.6
331.17621	10.4
353.08792	2.7
364.10391	2.2
391.11795	0.7
391.16202	3.7
391.20361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19910	0.3
57.12846	0.3
59.01389	5.9
60.18546	0.3
61.98834	3.2
62.32907	0.3
63.99291	0.7
71.01403	1.7
73.02972	0.5
78.95903	0.4
84.95123	0.4
85.02956	4.5
87.00897	0.7
89.02457	0.4
93.03466	1.3
96.96016	1.6
99.00887	0.5
101.02440	0.6
109.02969	0.4
109.15701	0.3
110.00103	4.5
111.00893	0.3
111.04511	0.4
113.02448	0.8
116.92876	0.3
124.01631	0.7
125.02438	5.1
127.04034	0.6
135.04495	0.5
137.99577	6.5
139.00340	2.3
151.00330	0.5
151.04019	0.7
152.01169	4.1
153.01949	100.0
154.02769	3.6
155.03508	1.4
161.02477	0.4
161.04549	2.2
164.01096	0.4
167.03514	7.4
168.04297	39.6
169.05067	6.6
176.48247	0.3
179.03496	0.6
181.01392	0.4
191.05629	33.3
192.05978	0.6
193.06110	1.6
196.03812	0.6
331.10410	16.9
353.08829	2.3
370.44949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	5.1
59.01390	100.0
61.98843	5.1
64.28506	5.2
64.28867	4.2
70.69053	5.0
70.86697	4.7
71.01392	26.6
75.00881	6.3
75.35447	4.4
81.30837	5.3
83.05801	4.7
85.02956	12.2
89.02463	6.0
93.03468	33.8
100.11990	5.2
101.02460	9.9
113.02480	7.1
121.02943	6.3
133.87250	5.4
137.02454	51.6
161.04555	5.5
165.12839	7.5
175.32777	5.0
181.07153	11.4
183.13921	66.8
215.32806	6.8
227.12988	41.5
331.17682	36.4
391.19965	7.7
391.27100	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2043
Annotation	Leu-Pro-Tyr
Peak:m/z	Relative Intensity
51.38622	0.5
51.92091	0.5
54.38454	0.6
59.01390	12.3
60.51851	0.4
61.54004	0.6
71.01397	3.9
72.00934	0.8
79.53954	0.5
84.68504	0.6
85.02959	0.8
89.02460	2.1
92.10770	0.6
93.03464	14.0
97.00471	0.7
97.34319	0.5
98.01235	3.5
101.02449	4.4
102.02798	0.8
106.04304	0.9
107.05034	7.9
111.00907	1.0
111.02034	0.9
112.02815	0.7
112.71436	0.5
113.02467	0.6
115.08788	12.3
115.09547	0.6
119.05024	12.7
121.02972	0.6
125.02456	1.3
125.07195	1.0
128.07262	0.7
133.07722	8.7
134.06133	19.3
135.04541	0.9
136.07715	6.0
141.06723	100.0
151.05171	1.0
153.00786	0.5
155.08337	1.3
163.04053	7.5
166.07475	4.7
180.06734	3.6
181.13501	0.7
191.05681	2.9
209.13034	3.0
209.83083	0.6
218.06970	3.2
218.11908	2.0
233.38300	0.6
235.14574	8.3
256.01477	0.6
261.12534	2.7
266.98651	0.6
289.04248	0.6
289.19199	0.7
327.08902	3.4
346.21506	2.3
367.38074	0.6
390.20483	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	7.7
61.98835	100.0
68.18817	0.6
70.87042	0.6
83.83937	0.6
87.38361	0.6
90.51936	0.7
301.84970	0.8
328.97906	0.7
400.08261	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
57.00533	0.4
57.03447	0.4
57.26598	0.4
59.01392	20.7
71.01390	6.4
73.02936	0.7
73.90614	0.5
75.00906	0.7
85.02976	2.0
87.00903	0.7
89.02438	4.2
93.03474	0.7
95.01421	0.4
101.02422	3.2
110.01588	0.6
111.02025	6.9
113.02447	2.0
119.03513	0.8
121.02950	0.9
124.50256	0.6
125.09828	0.5
132.02180	8.6
134.03740	11.1
149.06093	1.0
149.43427	0.5
160.01678	75.9
161.04524	0.4
169.08688	0.8
174.03201	0.6
175.04021	100.0
176.04727	0.8
177.04063	1.1
189.49429	0.5
191.05692	1.1
191.07181	2.6
193.05080	14.8
202.02815	0.6
214.88358	0.5
217.05124	6.1
235.06129	2.2
243.12350	0.7
264.98886	0.5
295.08270	1.0
340.83771	0.5
347.17090	0.6
355.10397	30.5
359.89102	0.6
381.42590	0.5
391.16153	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	389.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44461	10.4
59.01398	100.0
70.67184	9.9
72.22598	10.7
74.70184	11.2
83.26162	13.1
85.55479	11.4
87.73866	11.0
104.43446	11.6
111.55338	10.7
324.41165	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	389.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32883	0.7
59.01390	100.0
70.92546	0.8
71.28909	0.9
74.16375	1.0
75.67921	0.8
105.79540	0.9
116.67365	0.9
198.30664	0.9
246.52708	1.0
338.98199	1.0
391.24527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48519	0.4
59.01394	100.0
63.81128	0.4
84.86051	0.5
87.91083	0.5
94.07552	0.5
109.10423	0.5
143.07903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15734	4.6
52.23271	4.8
59.01392	78.1
59.05501	5.2
60.27636	5.4
61.98844	12.2
80.34784	5.4
80.91702	30.3
81.03491	10.3
83.01406	6.3
85.06593	5.6
95.05038	6.0
96.96973	6.5
97.06588	8.9
121.03040	8.0
123.04611	7.5
125.09730	26.5
137.09756	7.9
163.11295	34.1
165.09535	5.3
165.12912	13.5
182.27809	6.2
185.11955	11.5
191.14523	10.1
207.10175	8.2
209.11884	64.6
225.11331	9.8
231.10066	46.3
245.19186	27.0
289.18115	100.0
291.19836	47.5
307.19141	55.2
329.17535	6.8
389.19360	9.8
404.37485	6.5
413.85287	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	389.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	100.0
59.55205	32.8
61.98857	80.7
72.82639	43.3
94.03320	41.7
112.18507	36.7
120.17729	35.1
124.44384	36.0
167.32236	40.8
191.05722	49.9
213.85336	39.0
333.68268	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82941	0.6
58.00606	0.5
59.01388	100.0
59.30279	0.5
60.01716	0.5
61.51085	0.5
63.73959	0.6
71.01383	12.0
76.72749	0.6
85.02960	4.3
89.02447	14.3
95.75278	0.7
101.02458	5.1
113.02477	4.9
119.03481	6.4
121.54312	0.6
131.03514	0.7
136.02994	0.6
161.04576	1.0
179.05577	5.6
180.67482	0.7
191.05696	1.0
227.48833	0.7
258.38202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
57.03443	0.7
59.01388	100.0
71.01385	11.2
73.02938	3.9
83.01411	2.5
85.02953	8.1
89.02441	0.9
91.62261	0.4
92.10163	0.8
95.01400	0.7
98.95608	0.6
99.00864	2.1
99.92565	1.8
101.02444	8.0
113.02461	6.1
115.92090	2.4
116.92867	7.7
131.60010	0.4
159.02985	0.9
161.04570	10.5
185.74365	0.5
329.16104	19.0
389.18121	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	389.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45327	0.3
55.01883	0.5
59.01389	100.0
59.23646	0.3
60.01727	0.7
61.01808	0.4
61.98838	2.3
64.02026	0.3
70.34353	0.3
71.01387	5.0
73.02942	0.5
85.02966	3.2
95.01414	0.5
99.00927	0.5
101.02431	3.8
113.02442	2.4
116.92882	0.5
117.64425	0.3
121.02945	2.7
122.03271	0.4
146.26643	0.4
155.57451	0.4
159.03018	0.5
161.04552	4.8
167.10834	0.5
171.80087	0.3
183.75685	0.4
191.05716	0.4
329.16132	8.9
345.46594	0.4
365.10416	0.5
389.17999	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	389.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80059	1.9
51.54112	1.8
52.56912	1.7
54.18515	1.6
57.03452	2.1
58.00595	2.2
59.01388	100.0
61.98840	31.5
71.01396	38.6
72.99313	2.6
73.02964	3.1
75.97926	1.7
76.39231	1.9
82.95441	3.3
85.02979	14.4
87.00900	2.8
88.98846	3.4
89.02449	42.4
92.65359	2.3
93.03461	2.8
95.01403	2.9
96.96007	15.5
96.96970	3.3
99.04526	2.0
101.02455	18.8
101.86061	2.0
105.49395	2.1
113.02473	14.6
119.03506	14.7
130.90437	2.1
133.02983	2.9
137.16072	3.0
141.01794	2.8
149.06081	5.4
161.04628	2.8
166.02716	8.4
167.03502	4.4
167.07155	12.3
176.08347	2.5
178.99925	2.9
179.03487	3.7
179.05632	10.0
191.05608	25.2
230.68105	2.5
302.51666	2.3
329.12564	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	389.1823
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
51.50466	0.2
53.71276	0.2
57.03457	0.4
59.01106	0.4
59.01389	7.7
63.96689	0.2
71.01392	3.4
71.04991	0.2
72.99301	0.2
75.73093	0.3
83.05045	0.3
85.02963	1.4
86.66443	0.2
89.02442	2.0
91.13340	0.2
95.01373	0.5
97.06590	0.5
101.02456	1.3
102.03691	0.2
111.08149	1.6
113.02459	2.3
119.03519	0.4
165.12862	24.3
167.14388	0.2
181.12358	0.4
183.13922	100.0
184.14212	0.9
195.13898	0.5
197.15549	2.3
206.67784	0.3
207.13940	1.5
209.11884	3.2
221.56250	0.2
225.15044	2.0
227.12944	75.4
228.13268	1.3
251.12971	2.0
269.14014	1.4
298.59229	0.3
389.18036	2.8
389.25668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
56.10849	0.4
59.01389	100.0
60.99318	2.7
61.74618	0.4
69.03468	3.0
71.01392	11.5
72.99327	0.8
73.02935	0.8
79.01899	0.8
85.02951	6.4
87.00880	0.8
88.98809	12.5
89.02449	14.9
92.10785	0.8
93.03467	3.0
95.01369	0.8
96.04146	0.5
97.02944	2.2
99.00910	0.7
101.02444	6.7
107.01401	6.4
108.02225	0.5
112.13091	0.5
113.02475	6.5
119.03513	6.3
121.02986	0.4
125.02439	6.6
129.01906	0.5
135.00931	4.8
135.04518	2.2
143.03459	0.5
151.00398	8.1
158.23970	0.5
161.04604	4.8
163.04028	0.6
166.02739	49.8
166.08803	0.5
167.03473	5.8
173.04584	3.5
179.03448	0.6
179.05609	3.7
191.03807	0.8
191.05634	7.8
209.04552	0.9
224.79938	0.5
329.08887	18.4
329.16092	16.9
330.09335	0.6
353.08841	2.2
389.18381	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	389.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90811	0.2
56.09026	0.2
59.01387	2.3
60.46202	0.2
67.01901	0.2
71.01414	0.8
81.18017	0.2
85.02975	6.6
87.00887	1.5
92.10676	0.3
93.03460	2.7
99.04533	0.3
101.02446	0.2
109.02984	0.9
111.04538	0.8
127.03990	2.1
133.02977	1.1
134.23024	0.2
135.04543	0.8
136.73886	0.2
161.02477	1.6
171.03017	0.4
173.04594	1.1
179.03548	0.5
185.32407	0.2
191.05650	100.0
192.05931	0.4
263.61221	0.2
351.07440	0.3
353.08868	8.1
361.20892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33347	0.3
59.01380	2.4
61.98836	100.0
71.01379	0.6
71.70666	0.3
72.91080	0.2
76.35366	0.3
77.59646	0.3
84.94170	0.3
88.98805	1.2
89.02454	1.4
92.10017	0.3
96.96000	0.5
101.02420	0.5
149.05994	0.4
164.03555	0.4
191.05618	0.3
215.76649	0.4
359.23779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.146
Annotation	Reptoside
Peak:m/z	Relative Intensity
55.01889	7.3
57.03455	6.5
59.01388	62.2
61.98836	2.8
71.01385	56.0
72.99310	2.3
73.02947	17.0
75.86932	1.5
79.86933	1.6
83.01403	9.7
85.02967	28.3
87.00877	7.0
88.98817	5.8
89.02441	16.3
91.01920	3.2
93.03450	12.3
95.01389	2.8
96.96013	12.3
99.00887	3.2
101.02453	34.4
109.02946	10.1
111.04559	1.7
113.02444	14.6
119.03549	3.7
121.03003	5.9
135.04506	18.3
137.02451	81.4
138.03284	2.5
146.04889	1.7
148.36072	1.5
152.04802	31.5
153.01878	2.0
153.05614	2.8
154.84801	1.5
161.02489	2.0
161.04576	6.5
167.07147	2.8
173.04575	21.1
178.99854	3.0
179.03522	21.5
180.07944	2.6
184.03773	8.9
191.05646	100.0
193.05064	2.0
194.05807	7.7
197.00911	2.2
197.04564	2.1
209.08192	12.6
212.06946	41.4
227.09293	89.9
274.11072	1.6
351.70972	2.0
353.08917	15.1
358.71365	1.6
389.07095	2.4
389.14600	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	387.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59066	1.9
56.49781	2.1
59.01385	100.0
98.15884	2.8
102.65991	2.2
113.58244	2.4
122.13253	2.4
124.62724	2.1
173.41821	2.5
181.02449	2.4
216.26442	2.3
236.34669	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	388.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83042	0.7
57.86718	0.5
59.01383	1.0
61.98836	100.0
63.03743	0.5
63.25612	0.5
67.39110	0.5
79.67574	0.6
80.42441	0.6
90.02959	0.5
92.10159	0.8
92.10674	1.4
96.02231	0.7
99.81997	0.7
121.02962	0.7
123.04511	4.3
131.50677	0.6
165.64760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82589	1.0
55.01897	2.6
57.03469	5.6
58.00611	2.1
59.01394	95.2
71.01389	45.5
72.99327	1.9
73.02957	6.6
73.84862	1.2
74.02490	2.1
83.01418	9.7
83.01839	1.1
85.02953	17.4
87.00898	2.0
89.02453	32.8
93.03461	2.9
95.01409	5.0
96.95383	1.9
96.96016	55.9
97.02969	1.5
98.98731	1.1
99.00892	1.1
99.90974	1.2
101.02449	36.8
113.02454	17.9
119.03514	13.1
119.66274	1.2
137.02507	1.3
137.09711	1.5
154.58043	1.4
161.04526	4.6
163.00897	1.2
165.09151	2.2
191.05666	1.9
203.08414	1.9
206.22282	1.2
207.13979	2.2
210.18811	1.4
225.15015	19.5
245.09300	2.7
387.20303	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	387.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06259	37.4
51.10524	38.2
51.30552	32.4
54.95718	44.5
56.98206	39.2
59.01399	72.4
69.81332	41.1
70.21537	49.5
71.39927	43.2
109.02956	92.7
151.03981	83.8
165.30203	45.4
175.03972	100.0
232.80275	50.3
250.07251	53.0
348.95175	51.3
387.21066	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66813	21.2
54.83125	18.9
59.01402	100.0
68.31609	18.8
104.68420	23.9
159.59187	20.9
167.71806	22.2
175.85693	19.3
200.35139	26.4
350.45212	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50144	0.5
56.37653	0.5
56.71770	0.5
56.81269	0.6
59.01390	100.0
59.64849	0.4
61.98838	10.6
86.67940	0.5
87.79906	0.5
89.00130	0.6
114.65254	0.5
115.94240	0.5
119.60211	0.5
126.17345	0.5
127.19329	0.5
149.13608	0.6
155.31306	0.6
157.99646	0.5
158.75438	0.5
172.70717	0.5
209.61475	0.5
235.20660	1.1
238.48654	0.5
253.21742	7.8
374.80167	0.6
379.87045	0.6
382.04379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10263	2.0
59.01391	67.4
70.18143	2.4
72.99316	15.9
73.02944	5.1
74.21487	2.3
75.00881	82.7
76.82339	2.5
94.70461	2.6
161.77051	2.4
189.81662	3.2
203.29681	2.4
241.82161	2.7
332.00287	3.2
387.31216	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	387.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10933	0.6
55.01897	5.3
57.03459	4.8
58.00620	1.0
59.01388	80.7
60.67320	0.7
71.01387	44.5
72.99319	4.8
73.02956	6.6
73.03305	0.6
75.58112	0.7
83.01398	5.9
84.02210	0.8
85.02965	15.5
86.27428	0.7
87.00874	1.8
89.02451	30.5
89.03014	1.1
93.03432	0.7
94.47919	0.7
95.01398	3.5
96.96028	4.9
99.00893	1.7
101.02454	26.2
113.02466	18.1
119.03512	12.5
121.02969	1.3
129.01852	1.0
137.02390	0.8
137.09732	1.2
143.03477	1.2
151.07784	0.8
161.04558	4.8
170.17915	1.0
195.14009	1.1
197.15463	1.2
207.13873	2.8
225.15009	15.8
293.25272	0.8
306.43503	0.8
387.20322	100.0
400.84177	0.8
408.15582	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77428	1.5
55.01913	1.8
59.01387	100.0
59.02641	1.4
61.98841	2.4
63.31941	1.4
66.36517	1.5
71.01376	19.8
73.02953	8.6
73.82127	1.5
83.01401	2.8
85.02973	11.9
87.00894	1.9
87.55748	1.5
89.02426	2.0
101.02464	14.6
108.32283	1.5
113.02483	8.3
121.02956	3.9
161.04561	6.7
173.04536	2.6
183.04642	2.0
183.13884	3.2
210.62300	1.6
219.08809	2.3
235.04184	1.6
271.19183	3.4
301.20361	6.7
345.19452	3.6
387.24332	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83214	0.4
59.01387	100.0
62.25539	0.4
64.54361	0.4
79.94614	0.5
98.13573	0.4
108.41660	0.3
121.02957	67.6
262.95847	0.4
264.55713	0.5
288.30185	0.4
327.10690	0.6
384.20856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1669
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01882	0.8
56.99967	0.4
59.01387	100.0
65.81760	0.4
71.01384	8.9
72.99329	0.7
73.02964	2.7
85.02956	4.1
88.40035	0.5
89.02439	4.9
95.01336	0.7
95.13091	0.6
101.02449	5.1
103.00401	3.4
113.02468	2.5
119.03458	1.1
121.02952	3.0
126.00847	0.5
135.04532	0.6
137.02400	0.8
148.05367	1.1
151.11263	0.6
161.04581	3.2
163.04190	0.6
163.11290	13.9
192.04289	0.7
207.06586	1.3
225.07851	0.8
239.09384	1.4
327.14758	4.1
387.12949	1.8
387.16763	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	387.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35232	0.6
51.74923	0.6
54.00657	0.8
58.00602	0.9
59.01390	62.7
60.47646	0.6
65.00903	0.7
70.72841	0.8
71.01385	23.8
72.99319	1.1
80.98857	0.8
83.01404	2.7
85.02950	6.3
85.82001	0.9
87.00935	1.1
89.02454	25.2
92.10096	2.2
93.03458	0.9
95.01395	1.9
95.05036	1.7
101.02448	15.0
112.50724	0.8
113.02468	9.5
119.03518	9.2
121.02946	3.4
133.02972	1.5
136.98878	0.8
149.02496	7.7
154.29759	0.7
173.16483	0.8
177.01952	64.2
177.14513	0.8
178.02747	1.1
192.04324	71.0
193.05022	4.1
200.12987	0.7
205.95319	0.8
207.06668	100.0
239.05550	1.2
278.19519	0.8
295.02768	0.8
342.04639	0.9
387.17056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31678	0.4
59.01398	3.4
61.98850	4.4
72.49349	0.4
74.05171	0.5
77.34267	0.5
85.67560	0.4
92.69329	0.6
93.03501	0.6
104.98385	0.5
114.80104	0.5
121.02963	100.0
122.03349	0.6
135.04535	2.8
175.93091	0.5
215.23047	0.6
275.24509	0.5
326.82266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60699	0.4
52.05423	0.4
59.01390	4.1
71.01391	3.6
89.02451	1.2
101.02435	0.7
108.76250	0.5
121.02960	100.0
121.04977	2.1
135.04527	9.0
137.57416	0.5
165.05540	0.9
167.00868	0.5
204.48500	0.5
326.54086	0.5
355.67505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.2
61.98843	3.8
69.78241	0.2
71.01372	0.6
72.00920	14.1
85.02970	1.2
86.03263	0.3
87.00883	0.5
91.05553	1.0
96.95978	1.0
101.02457	0.5
110.06139	0.6
110.80613	0.3
111.00874	0.5
118.03072	0.3
119.05019	3.8
120.05334	2.7
133.03015	0.4
133.67574	0.2
135.04517	0.3
143.03528	0.3
147.04536	51.9
163.04024	2.4
164.03403	3.1
164.07190	100.0
187.62219	0.3
191.05630	1.3
323.13654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60070	0.2
59.01390	100.0
59.80034	0.2
60.59044	0.2
66.32123	0.2
71.01391	0.4
71.16850	0.2
73.02954	0.4
92.10868	0.5
101.02445	0.3
101.50287	0.2
102.05091	0.2
109.29669	0.2
114.39804	0.3
121.02928	1.8
135.67348	0.2
135.94638	0.2
161.04739	0.2
163.29073	0.3
241.16722	0.2
241.19508	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33773	0.4
53.65896	0.5
57.83976	0.5
58.65574	0.6
59.01389	100.0
71.01399	2.3
74.99583	0.6
83.01395	0.6
85.03000	1.0
113.02441	0.6
120.78152	0.6
137.02486	0.6
148.05325	31.3
161.04616	2.2
163.07677	23.0
305.35382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3327
Annotation	CHEBI:79299
Peak:m/z	Relative Intensity
51.14660	2.0
51.92896	2.0
57.89322	2.0
58.03623	1.7
59.59792	1.6
60.81377	1.9
72.99313	40.8
75.00874	13.5
90.51940	2.3
97.92101	2.1
114.07006	2.2
300.72308	2.6
345.53906	2.4
385.33319	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	386.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13374	0.2
59.01387	2.6
60.42189	0.2
61.98848	0.5
62.30359	0.2
62.99950	0.2
63.80652	0.2
63.84638	0.2
92.05061	4.8
105.37070	0.2
109.31409	0.2
110.06129	16.9
120.03685	0.3
120.04556	7.4
120.05330	0.3
136.04092	0.4
164.03558	100.0
165.03905	0.4
196.55620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.11
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74772	0.2
53.62794	0.2
54.83141	0.2
55.57203	0.2
59.01387	2.7
61.98836	0.9
80.08309	0.2
83.88876	0.2
87.08408	0.2
92.05057	4.2
92.10775	0.3
105.87394	0.3
110.06127	16.2
120.04552	9.1
136.04045	0.9
164.03551	100.0
165.03857	0.5
191.05617	0.3
264.56812	0.2
272.46475	0.2
289.60150	0.3
324.81375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86345	0.2
55.50821	0.2
57.03480	0.3
59.01400	7.2
71.01395	4.0
75.00908	0.4
85.02961	2.3
89.02461	2.9
90.75230	0.3
93.03477	2.0
99.06112	0.3
101.02456	0.7
113.02473	1.2
115.00389	1.3
117.03485	18.5
119.03522	0.6
119.05024	5.9
121.02972	3.1
134.03754	1.4
136.00534	0.3
137.02464	1.3
145.02977	100.0
146.03323	0.6
149.02458	5.4
161.06064	1.5
163.04033	8.3
164.04832	2.8
165.04044	1.8
179.07227	0.5
187.04016	2.5
191.05641	0.5
193.01425	1.6
205.05075	0.5
208.03848	3.5
223.06122	4.5
265.07220	1.4
325.09332	15.1
368.93915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37757	0.2
52.27256	0.2
54.44231	0.2
55.36541	0.2
57.03453	1.8
59.01384	5.3
61.98837	1.1
71.01409	0.3
73.02963	0.2
84.95109	0.5
85.02953	8.3
87.00910	0.4
89.02450	0.3
93.03478	0.5
111.00925	0.3
119.05029	100.0
120.05352	0.5
121.02940	0.4
145.71306	0.3
147.03024	0.4
149.02469	3.0
157.33563	0.3
163.04022	61.4
164.04802	2.7
179.07166	0.4
191.02057	1.5
191.05681	0.6
203.19394	0.3
205.05118	0.3
206.11395	0.3
208.03804	0.6
217.92003	0.3
223.06169	2.0
325.09235	0.5
349.15292	0.4
385.11838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82600	1.1
57.05464	1.3
58.58301	1.1
71.05039	2.1
115.03996	5.8
149.37845	1.7
242.88734	1.6
321.31696	83.7
338.49908	1.5
339.32477	2.1
365.30545	23.9
383.31754	100.0
383.36728	3.3
384.32349	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	384.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44911	1.4
54.51546	1.6
56.65797	1.5
57.97093	1.5
59.01384	100.0
61.12324	1.7
63.14949	1.5
70.47388	1.5
78.66492	1.8
85.40729	1.8
114.39870	1.8
123.93674	2.0
179.00206	1.9
349.91318	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1145
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
57.60679	0.7
59.01395	3.9
63.23387	0.7
65.87596	0.8
71.01401	3.2
83.02406	0.7
85.02956	1.9
87.46497	0.8
93.03474	3.5
97.39586	0.8
101.02506	0.9
115.00379	1.4
116.65324	0.9
121.02959	16.6
133.01491	1.0
133.02983	4.3
134.03743	1.5
135.04547	6.5
137.02461	1.1
147.03061	0.8
149.02467	82.0
151.42302	0.8
152.01151	10.6
161.02492	11.9
163.04056	12.0
164.04811	64.4
165.01944	5.2
167.03502	0.8
169.05112	3.5
179.07140	15.7
193.01436	33.9
205.05208	0.9
208.03819	63.3
223.06171	100.0
349.35434	0.8
385.11423	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	385.1148
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
55.01890	4.6
57.03472	15.9
59.01385	43.1
59.01600	2.4
64.47543	2.4
65.61604	2.3
67.08655	2.5
68.14250	2.6
69.23981	2.3
71.01389	37.3
72.99326	11.9
73.02969	5.4
75.00883	21.3
82.95441	14.7
83.01427	4.8
84.95187	4.5
85.02959	90.5
87.00895	12.6
89.02475	17.4
93.02339	2.8
93.03467	47.0
96.96007	23.1
101.02475	5.6
105.01941	5.0
107.58130	3.1
111.00891	4.6
113.02464	5.4
115.00381	24.4
119.05035	43.8
121.02959	84.5
121.33573	3.3
129.01973	5.1
133.06618	6.7
134.03754	5.6
135.04543	7.0
137.02454	14.5
147.03081	5.0
148.07668	2.9
149.02463	100.0
163.04027	59.1
164.04810	85.5
165.04089	35.3
174.01677	32.6
175.97934	2.7
179.07129	26.3
191.01994	22.2
191.05682	7.1
193.01422	11.1
193.05157	3.8
203.72142	2.7
205.97528	3.2
206.47940	2.8
208.03828	20.2
209.03024	26.4
223.06134	82.8
225.09250	12.9
240.10349	5.3
242.11853	15.5
251.07100	3.7
259.98270	3.3
286.10880	28.0
340.08426	6.7
349.15085	13.7
358.09348	36.9
385.11493	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16817	0.7
57.03460	1.4
59.01389	100.0
60.99324	0.7
61.98826	6.7
66.42148	0.8
66.85027	0.9
67.76920	1.0
71.01389	18.9
72.99316	1.5
73.02941	7.0
75.00869	1.3
82.95449	0.8
83.01415	1.6
85.02958	9.6
86.81103	0.8
87.00877	9.8
87.04549	1.2
88.98835	3.5
89.02449	13.5
92.10113	1.5
95.01404	1.7
96.96030	5.1
101.02449	14.2
101.06095	1.5
111.00937	1.1
113.02455	9.1
119.03511	5.2
119.05046	1.8
129.01935	1.5
133.02931	1.6
137.02409	2.0
142.43379	0.8
159.03020	1.2
161.04602	6.8
163.03996	1.2
179.05687	1.0
243.83888	0.9
257.29837	0.9
279.98788	1.0
288.55759	0.9
323.17197	51.3
324.28287	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82893	1.1
59.01387	12.4
59.23592	1.2
61.19183	1.2
63.38053	1.1
115.10684	1.3
120.19935	1.4
133.99124	1.3
135.78397	1.4
136.45195	1.5
137.24715	1.2
155.92244	1.4
168.19994	1.2
337.34735	2.1
338.60498	1.3
383.35382	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	383.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01389	27.8
69.55000	0.7
71.01389	21.1
71.05038	0.9
72.99311	1.4
76.62543	0.7
83.01402	0.8
85.02998	1.6
86.82241	0.8
89.02483	2.9
93.03485	1.0
101.02466	2.9
101.58264	0.8
113.02476	1.6
115.00372	11.2
117.05586	0.9
119.05081	0.8
121.02962	100.0
133.01436	12.3
135.04538	95.9
137.02448	1.1
163.04030	9.3
173.04558	1.1
191.05743	1.0
223.06116	2.9
223.13420	15.6
224.76996	0.8
267.12653	1.0
330.44806	0.8
334.43011	0.9
383.13486	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	383.1356
Annotation	Hymenoside T
Peak:m/z	Relative Intensity
55.17213	0.2
55.41695	0.2
56.77555	0.2
58.71297	0.3
59.01390	5.9
61.93852	0.3
61.98814	0.3
65.38238	0.2
67.12611	0.3
71.01382	1.5
83.04983	0.4
88.41992	0.3
89.02435	0.4
89.63449	0.3
93.03456	78.3
101.02461	0.3
102.32343	0.3
121.02949	1.9
132.93427	0.2
135.04527	1.1
137.02451	100.0
138.02763	0.6
234.23497	0.3
234.25781	0.3
260.75189	0.3
267.16141	1.9
268.74890	0.3
273.61139	0.3
292.78412	0.4
345.22897	0.7
383.13486	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1354
Annotation	Spicatolide G
Peak:m/z	Relative Intensity
54.48458	0.4
54.83046	0.5
55.01894	1.0
57.03471	0.7
57.62357	0.4
58.00603	0.8
59.01386	54.9
62.01250	0.4
65.05322	0.4
67.91462	0.5
68.16040	0.4
71.01385	17.9
71.21923	0.5
72.99325	0.7
73.02964	1.1
79.05550	0.5
83.01411	2.3
83.29867	0.4
85.02963	5.9
86.81227	0.5
89.02443	14.0
89.02934	0.7
95.01406	2.1
96.96031	2.1
101.02431	9.0
105.15553	0.5
105.51138	0.6
106.04250	2.2
113.02441	5.1
119.03506	3.2
121.02949	0.6
130.22925	0.4
138.32777	0.6
138.85727	0.5
143.05040	6.8
159.08167	23.3
161.09743	2.3
164.20757	0.5
177.09203	4.2
203.07185	4.8
205.08746	4.6
221.08167	0.7
365.31097	0.5
383.13568	100.0
384.13968	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	4.4
59.01394	100.0
71.01392	34.4
71.05033	1.1
72.99329	3.8
76.07104	0.6
76.10201	0.7
77.40805	0.6
80.91729	0.6
83.05014	0.7
85.02964	0.8
87.00902	2.8
88.38134	0.6
89.02448	3.1
89.70081	0.7
93.03462	1.0
99.08271	0.7
115.00379	41.0
120.29002	0.7
133.01440	59.3
145.02942	1.1
161.13351	2.8
163.04015	0.8
191.05624	1.1
207.10265	3.0
223.13425	70.1
224.19711	0.6
231.41063	0.7
267.12454	19.4
310.38361	0.7
314.74448	0.6
327.92731	0.6
365.57529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.3
59.01390	100.0
63.53485	0.8
64.35009	1.0
64.61221	0.9
65.94640	0.9
71.01391	40.9
71.05059	1.4
72.99316	1.4
74.03838	1.0
87.00912	2.0
89.02491	1.3
108.53672	0.9
113.77711	0.9
115.00381	49.0
115.01135	2.1
118.37498	1.1
119.05135	1.4
133.00443	2.1
133.01445	62.6
145.02888	1.1
161.13399	1.5
185.13962	1.0
191.05821	1.2
199.41545	1.0
207.10315	1.8
223.13441	76.2
267.12442	15.1
328.33301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82306	0.3
52.67882	0.3
59.01114	0.5
59.01389	13.5
65.29214	0.4
71.01382	9.8
73.02943	0.6
83.01390	0.6
85.02950	1.8
87.43988	0.4
89.02442	2.1
95.01471	0.4
99.00901	0.5
101.02440	2.0
113.02449	0.8
121.02957	100.0
123.92000	0.5
135.04533	91.1
163.04022	10.2
217.05003	0.5
223.06200	2.6
246.56561	0.4
383.13538	4.2
392.26193	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
59.01387	67.5
61.98843	5.0
63.33988	0.9
70.24335	0.9
71.01382	16.2
71.01727	1.1
72.99297	4.1
73.02950	11.1
75.00900	1.1
78.95908	7.7
78.99732	1.1
79.95738	1.5
82.95428	9.4
83.01396	2.5
84.95126	2.9
85.02967	5.6
87.00888	17.9
88.98822	1.7
89.02436	9.7
93.03514	1.3
96.96012	100.0
96.96929	15.3
97.84584	1.1
99.00869	8.9
101.02439	7.7
107.05057	4.7
111.00894	5.4
112.98818	32.9
113.02463	1.8
115.00405	1.6
117.05573	8.3
119.03574	1.3
121.02947	1.6
123.00938	1.3
123.04500	1.4
133.02972	6.9
135.04503	2.4
137.02431	1.5
138.03334	1.5
149.02431	2.2
151.04016	2.1
161.02464	14.6
161.04550	4.0
163.04008	19.1
164.04745	8.3
165.05545	2.1
173.00958	1.7
173.02446	1.7
174.01649	1.4
175.03995	2.6
175.46252	1.0
176.04790	5.9
177.01929	1.7
178.06364	11.2
179.03534	5.6
179.07178	11.3
191.03503	9.4
191.05635	7.3
191.07179	2.1
193.05128	4.5
193.08733	2.4
203.03542	2.2
205.05077	1.4
206.05881	2.5
219.02911	1.4
221.04623	1.5
221.08197	1.4
231.02751	1.2
234.05437	1.1
236.07123	1.5
247.02551	4.5
258.71426	1.2
262.04929	1.9
265.07227	17.7
266.49515	1.2
277.07251	8.9
277.67007	1.2
295.08282	11.7
323.17154	17.3
369.24384	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03217	1.6
55.01892	4.0
57.03468	9.2
58.58331	2.0
59.01389	88.2
59.57861	1.6
61.98857	2.0
67.01907	1.9
67.71240	1.9
68.99834	3.3
71.01382	42.3
72.99335	8.3
73.02947	23.0
74.51243	1.7
75.00896	2.4
82.95431	40.9
83.01404	8.4
85.02985	13.9
87.00882	23.4
87.04540	3.8
89.02458	14.0
96.96018	8.2
99.00893	28.1
101.02457	12.7
103.04031	2.7
107.05045	4.1
111.00906	9.8
112.98825	100.0
113.02464	4.6
115.00350	3.1
119.03532	2.6
119.05004	2.7
121.02965	4.2
123.00927	4.5
123.04530	2.3
129.01926	3.7
131.06494	2.0
133.02980	13.7
135.04526	16.3
137.02376	2.6
138.03273	2.9
142.99944	7.4
149.02492	10.0
151.04039	8.3
153.05566	3.8
159.04552	2.5
160.04106	4.3
161.02530	15.6
161.04520	10.3
163.04018	59.8
164.04837	28.2
165.05583	4.8
173.00937	13.2
173.02454	7.7
174.01726	4.7
175.04036	8.5
176.04813	12.9
177.01942	4.0
177.05603	3.6
178.06393	28.6
179.03610	15.0
179.05829	3.3
179.07162	34.3
188.04802	3.2
189.01852	3.3
190.02892	2.1
191.03532	37.5
191.05569	8.1
191.07187	3.2
193.05098	9.8
193.08737	9.3
194.05885	4.1
201.01906	3.2
203.03531	12.2
204.04344	4.1
205.05132	12.9
206.05864	10.6
209.08247	8.1
218.05959	3.4
219.03021	4.9
219.06679	3.4
221.04605	8.2
221.08232	4.1
223.06129	2.1
235.02444	2.7
243.69466	2.3
247.02538	10.5
247.06163	2.7
250.23227	2.2
262.04907	12.0
265.07211	51.9
277.07227	37.1
295.08191	35.0
323.17130	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	383.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99820	0.2
57.03466	0.2
59.01398	2.8
67.01913	0.2
69.73796	0.2
71.01398	1.6
72.99319	0.4
73.02966	1.3
81.03468	0.4
83.05019	0.3
85.02959	12.4
87.00882	3.2
93.03456	3.5
99.00896	0.4
99.04530	0.4
101.02446	0.3
107.36388	0.3
109.02985	1.0
111.00861	0.2
111.04546	1.5
112.98856	0.8
113.02572	0.2
117.01962	1.3
127.03999	3.0
129.01949	0.5
135.04552	0.4
137.15004	0.2
142.99870	0.3
154.41440	0.2
155.03574	0.4
166.30850	0.3
171.03003	1.1
171.85361	0.2
173.00940	0.4
173.04567	1.5
191.05644	100.0
192.05951	0.4
215.74391	0.2
404.40598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53247	1.0
59.01390	100.0
59.99280	1.0
61.98850	1.2
69.97512	1.0
71.03553	1.0
76.44298	1.0
79.27026	1.2
79.97642	1.0
87.83171	1.1
92.66431	1.2
93.03474	7.8
97.24488	1.0
121.02951	1.3
137.02449	11.8
165.06329	1.1
288.46033	1.1
301.60309	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03000	9.0
59.01397	22.4
60.45922	1.7
61.98800	2.0
64.34845	1.7
65.25222	1.6
77.67274	2.1
86.11804	2.0
114.95299	1.9
121.11752	2.1
133.71086	1.9
150.38336	2.4
153.12866	7.2
165.12782	3.8
170.05901	4.0
179.10727	13.8
181.12379	36.1
187.84543	2.3
199.13429	100.0
215.12856	2.8
217.00316	8.6
307.08029	2.4
363.25391	4.2
381.26450	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	381.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60738	1.2
59.01402	4.9
65.52742	1.1
73.18788	1.1
87.83647	1.2
93.13425	1.2
170.05870	5.6
267.89496	1.5
277.18097	100.0
279.19647	19.2
295.19171	95.6
342.63815	1.7
363.25470	15.0
381.26599	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	382.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45008	0.4
59.01387	100.0
64.03046	0.3
73.04424	0.4
92.10775	1.6
120.13586	0.4
138.87508	0.4
148.30350	0.4
152.09927	0.4
194.19460	0.4
199.80551	0.4
322.27563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.3
57.09704	0.2
57.19654	0.2
59.01384	2.9
59.87277	0.2
60.99310	0.3
63.69016	0.2
67.01901	0.3
71.01381	1.8
71.10494	0.2
72.77763	0.2
72.99307	0.3
73.02577	0.3
73.02941	1.9
83.05052	0.4
85.02959	12.1
85.03461	0.5
87.00884	3.0
89.02448	0.4
91.40199	0.2
93.03455	3.4
99.00876	0.4
99.04567	0.5
101.02467	0.4
109.02974	0.3
111.04516	1.9
112.98840	1.1
117.01952	1.8
127.04016	3.3
135.04596	0.3
142.99893	0.4
167.48285	0.3
171.03012	0.9
173.00917	0.5
173.04555	1.6
191.05644	100.0
192.06001	0.9
194.80342	0.3
327.69632	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21129	1.6
59.01392	7.2
59.05543	1.7
75.46312	1.7
77.82744	2.0
86.09200	1.9
247.95210	2.3
292.76834	1.9
299.20209	100.0
338.22269	2.2
381.20529	16.3
381.30246	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	381.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38131	0.7
54.64355	0.7
59.01388	100.0
61.98838	7.9
72.28156	0.9
76.29131	0.8
79.28978	0.8
142.68155	0.9
174.99257	3.6
198.64595	0.8
217.00307	10.3
282.00970	0.9
288.38834	1.1
357.04419	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21674	6.5
51.60338	5.8
52.26425	5.8
59.01389	100.0
59.49340	7.4
61.98855	9.3
174.99290	17.6
217.00381	67.3
292.25250	8.5
318.92529	8.7
370.57999	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	381.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88246	1.2
52.96990	1.1
53.12913	1.4
53.73058	1.2
59.01390	16.0
59.01629	1.3
61.98845	2.0
71.01401	8.9
72.00903	1.4
82.03045	1.4
85.02991	2.9
86.02464	1.4
89.02484	5.6
92.05007	1.8
92.10162	1.5
96.96017	3.2
100.04075	1.4
101.02453	5.4
102.12444	1.2
113.02385	1.4
116.05082	5.4
116.92852	14.5
119.03518	1.8
131.03748	2.8
132.04576	12.7
135.04533	1.5
142.06659	2.8
143.06105	2.0
144.04575	11.7
145.04147	1.5
154.06578	1.6
155.06128	2.2
156.06949	11.6
157.07698	9.2
158.04871	1.9
158.06134	6.0
159.05612	4.9
160.04044	11.4
167.06136	22.5
169.07713	9.2
170.06158	2.4
171.09306	17.3
173.07227	14.8
180.06886	2.5
181.07739	100.0
182.06100	2.7
187.08850	3.0
188.05951	5.4
197.07190	9.4
199.08797	45.4
199.27422	1.4
201.06700	1.4
217.09860	2.2
226.05060	3.2
243.07765	32.5
261.08838	98.2
280.21854	1.6
321.12079	5.7
331.10367	1.6
363.11938	2.7
381.13187	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10562	0.3
59.01391	100.0
59.27419	0.3
59.40024	0.3
59.84961	0.4
60.35727	0.3
64.37352	0.4
70.22731	0.3
132.83269	0.6
174.99243	0.8
176.23466	0.4
217.00290	1.6
234.73160	0.4
277.75308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.7
57.03470	1.5
59.01390	100.0
61.98839	38.5
71.01385	31.1
71.05038	2.6
72.99322	2.1
73.02989	3.2
75.00881	2.1
80.91688	2.6
85.02961	11.9
87.00881	2.4
88.03193	1.3
88.04035	1.5
89.02451	19.6
92.38081	1.6
95.01398	2.3
96.95990	12.6
101.02434	15.3
113.02474	10.4
119.03511	6.8
121.03043	2.3
135.04546	2.1
137.02461	17.1
146.08260	27.2
147.08601	8.7
161.04521	6.3
164.84396	1.5
187.43188	1.6
191.05591	1.8
205.53433	1.7
215.38315	1.6
219.12390	2.5
223.08348	1.8
240.04776	1.7
255.03485	1.5
299.07816	8.4
321.12207	2.2
321.15375	14.7
380.15710	9.3
381.16083	36.1
386.24335	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	379.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66777	73.0
60.70717	82.8
62.70618	84.4
64.34658	74.9
88.01000	82.3
92.10129	86.5
203.39346	100.0
255.23247	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2858
Annotation	Persin
Peak:m/z	Relative Intensity
59.01401	3.6
59.13813	1.9
62.41813	1.8
67.86393	2.0
69.64940	2.1
73.02686	2.1
79.49030	1.8
85.71532	2.1
242.74384	2.0
260.67346	2.1
295.08469	3.6
347.25876	18.5
363.15344	9.1
379.28598	100.0
379.33398	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	380.1565
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
51.63543	0.5
55.01894	1.3
59.01388	35.7
61.98841	11.0
63.99263	1.2
66.61158	0.6
71.01392	41.6
71.05031	9.4
72.99306	1.5
73.02954	0.6
83.01427	0.8
85.02963	7.1
88.04058	6.8
89.02454	15.3
95.01397	1.3
96.96021	6.1
96.96990	1.1
99.04527	2.9
101.02451	11.4
111.00932	0.8
113.02466	5.6
114.39499	0.8
116.07169	0.7
119.03511	5.5
128.07182	3.0
146.08253	78.3
157.50905	0.7
161.04529	1.2
200.09320	1.2
218.10275	0.8
225.10515	0.9
236.90274	0.8
241.86850	0.7
279.81836	0.7
308.13489	5.7
310.46378	0.7
320.14526	1.0
362.14957	0.9
380.15704	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	379.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76525	0.4
53.73722	0.4
55.31412	0.4
58.67344	0.4
59.01388	100.0
69.03461	1.2
71.01382	4.4
73.02952	0.7
75.00873	0.7
85.02959	2.0
89.02439	4.3
96.96017	16.2
97.64608	0.4
97.73747	0.5
101.02446	3.0
113.02449	2.5
119.03468	1.1
135.02962	2.0
138.37001	0.5
142.26743	0.4
145.26691	0.5
161.04585	1.2
163.03947	0.7
179.05623	0.7
191.05664	0.8
201.11388	1.1
209.11874	1.2
215.94258	0.6
319.17709	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	378.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82877	0.3
59.01390	0.7
61.98836	100.0
71.01398	0.3
75.18784	0.3
79.99331	0.3
85.49245	0.3
89.02493	0.4
92.10742	0.4
96.96028	0.7
177.56570	0.3
203.04271	0.3
208.71762	0.3
266.42523	0.3
318.02841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37951	1.7
54.90575	1.8
55.74936	1.9
57.03443	1.9
59.01387	69.1
70.62850	1.9
71.01385	42.4
71.01727	2.7
73.02965	3.3
81.35574	2.0
85.02966	5.1
89.02449	70.8
95.01424	2.1
96.96996	5.0
101.02452	33.3
113.02469	20.9
119.03512	28.7
129.19930	2.3
131.03523	3.3
139.96617	2.3
143.03537	2.7
149.04619	2.4
161.04581	4.4
179.05621	24.9
181.07236	14.8
187.43756	2.2
197.05562	3.0
217.03169	15.4
281.78293	2.8
306.68750	2.7
319.79852	2.4
341.10956	71.5
343.12549	100.0
343.16843	3.2
349.62097	2.4
379.08423	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1458
Annotation	Abafungin
Peak:m/z	Relative Intensity
52.59678	0.7
54.61714	0.6
55.01887	1.0
57.03454	9.4
58.00617	1.0
59.01389	14.5
59.31554	0.7
69.03465	3.8
69.31546	0.7
69.88425	0.7
71.01385	18.2
72.99317	1.5
73.02946	4.0
75.00877	27.6
81.53569	0.7
83.01395	1.1
84.02198	1.9
85.02965	16.9
87.00884	13.4
87.04533	1.4
89.02465	3.7
97.02954	5.1
99.00890	8.0
101.02468	1.6
111.00933	0.9
129.01949	12.0
135.08116	1.1
137.09732	11.1
141.01971	3.2
146.52715	0.8
155.10805	100.0
159.02995	0.9
169.12323	1.1
177.04070	67.6
181.08783	1.1
199.09805	24.7
241.10837	4.1
338.42224	0.8
359.13538	12.0
377.14590	94.3
378.14679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10096	0.8
59.01394	4.4
64.34755	0.8
75.00871	1.9
98.90649	1.5
103.92625	1.0
128.45868	1.0
139.48010	0.9
279.23325	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	377.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.01418	17.5
84.44659	9.9
85.02940	12.3
93.03455	24.1
93.27069	10.0
109.02983	53.8
114.39534	10.8
117.03447	14.0
119.05049	42.5
121.02987	62.9
122.62737	10.5
137.71660	10.7
143.05032	22.9
145.03017	25.0
191.05682	18.9
215.07147	14.5
223.95840	10.7
235.07658	12.1
253.08565	74.9
255.03059	24.9
284.03168	15.8
296.06125	67.3
296.81561	12.0
297.07944	23.1
376.58771	12.8
377.18042	14.6
377.25577	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25777	0.3
54.82805	0.3
57.03461	0.4
57.86655	0.3
59.01110	0.5
59.01391	11.2
64.23750	0.3
65.00336	2.2
67.19814	0.3
71.01404	2.0
75.00899	0.5
85.02969	1.6
87.00878	0.5
89.02441	0.8
91.01900	9.5
93.03466	8.3
95.01926	0.4
99.00891	0.5
101.02404	0.6
108.02185	0.7
109.02966	56.7
113.02497	0.7
114.41731	0.3
117.03527	0.5
119.05035	4.0
121.02975	2.2
123.04540	0.4
129.03493	0.6
130.04243	0.5
131.05060	3.0
133.02965	0.4
135.03018	0.4
135.04585	0.4
135.22754	0.3
137.09689	0.4
143.05046	38.1
145.02998	2.7
145.06557	0.8
146.03766	8.3
147.04552	10.5
155.10794	0.8
158.03700	0.5
159.04550	5.8
191.05605	1.6
195.04808	0.5
196.05347	1.3
197.11783	0.4
206.07516	0.6
207.08206	1.5
209.06155	2.6
210.07010	0.6
211.07695	2.3
215.07141	0.8
224.08542	0.4
225.09320	0.6
227.03616	0.5
235.07686	15.5
236.08424	1.5
237.05545	0.8
238.06369	1.5
242.55070	0.4
251.07155	8.8
252.08006	3.0
253.08743	100.0
254.09134	1.7
296.06311	0.8
297.07736	20.0
317.16049	0.5
377.18170	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	377.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00615	2.8
59.01385	40.9
71.01395	20.2
76.57888	2.9
77.28208	3.2
78.95918	18.2
81.13159	2.6
84.66135	2.8
89.02440	53.0
92.66445	2.7
96.95991	3.5
96.96976	33.1
101.02469	15.0
113.02469	7.4
119.03521	15.1
179.05666	14.4
190.05647	3.5
195.05211	3.9
215.03354	17.3
279.10861	5.6
297.31500	3.4
300.78470	3.4
341.10983	100.0
377.08612	76.9
402.24820	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	377.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00615	2.8
59.01385	40.9
71.01395	20.2
76.57888	2.9
77.28208	3.2
78.95918	18.2
81.13159	2.6
84.66135	2.8
89.02440	53.0
92.66445	2.7
96.95991	3.5
96.96976	33.1
101.02469	15.0
113.02469	7.4
119.03521	15.1
179.05666	14.4
190.05647	3.5
195.05211	3.9
215.03354	17.3
279.10861	5.6
297.31500	3.4
300.78470	3.4
341.10983	100.0
377.08612	76.9
402.24820	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	376.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56023	0.4
54.83002	0.4
55.01885	2.3
57.03453	0.8
59.01386	14.5
61.98836	100.0
67.18539	0.4
71.01382	13.5
73.02951	4.6
76.10384	0.4
80.36980	0.4
83.01406	2.8
85.02954	8.7
87.00918	0.5
89.02465	3.1
95.01398	0.7
96.96002	2.6
99.00874	1.8
101.02441	9.7
113.02459	5.3
119.03488	0.7
136.04050	9.7
159.03072	0.7
161.04570	6.1
177.04176	0.5
269.10352	3.6
313.09409	17.6
341.97485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85376	0.2
56.90448	0.3
57.03438	0.2
59.01385	2.5
60.99317	19.5
61.98826	0.3
63.25475	0.3
67.01884	0.3
71.01379	1.3
71.04813	0.3
73.01945	0.3
73.02940	0.4
75.00896	0.6
85.02979	0.7
85.25990	0.3
86.70671	0.3
87.00886	0.5
88.77205	0.3
88.98811	100.0
89.02452	1.6
93.03461	0.7
99.00782	0.3
114.79207	0.3
117.03463	0.6
117.50668	0.3
119.04983	0.5
121.02876	0.4
135.04524	0.7
145.02910	0.6
146.03360	0.5
155.10780	1.2
171.10295	0.5
177.04120	0.7
179.03465	0.6
191.05713	2.7
191.07130	0.3
195.78227	0.3
227.03487	0.6
232.28896	0.3
242.78813	0.3
255.03011	1.6
272.34970	0.3
284.03183	0.7
296.06134	2.6
376.16959	0.5
377.14447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04478	18.6
54.80513	16.0
55.38919	16.9
59.01395	42.6
59.16542	23.3
68.22149	18.5
75.43331	17.3
78.95911	100.0
92.10677	30.7
140.78011	21.3
161.56000	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	375.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
78.95917	0.6
87.75153	0.4
158.04497	0.4
164.30164	0.4
277.21671	0.6
297.42020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67944	0.6
57.03459	2.7
58.00613	1.0
59.01386	5.8
61.98841	1.2
69.03476	0.7
77.82663	0.6
84.44518	0.6
85.02977	0.7
87.04494	0.7
123.08170	1.5
147.27043	0.7
157.12347	1.5
169.12444	0.9
174.64110	0.7
178.99902	1.0
185.11885	4.0
195.05174	0.8
197.01016	0.9
215.12894	1.2
234.02888	0.8
250.60104	0.7
329.23331	2.8
357.26642	3.7
373.26059	1.5
375.27606	100.0
376.27972	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	12.6
78.95910	100.0
79.96903	5.2
96.96983	31.4
101.26056	5.4
140.09447	5.5
143.34706	5.6
174.41689	6.0
182.60310	5.9
212.74330	5.7
295.46198	5.6
375.26895	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	61.4
61.98858	1.7
62.41179	0.8
67.25084	1.0
77.69273	1.0
80.67683	1.0
80.91680	8.6
95.05021	2.2
121.10231	33.1
121.11066	1.5
132.15271	1.0
149.09705	1.1
171.10281	74.9
177.16548	1.2
183.13918	4.0
207.10097	1.8
210.61438	1.1
216.06805	1.2
217.00264	4.6
231.21202	6.1
275.20215	100.0
278.11337	11.9
293.21271	92.6
294.21426	1.2
297.18375	1.2
315.19455	44.5
359.18436	8.0
375.21603	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.216
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01389	22.9
61.98816	1.2
68.81773	1.3
69.47182	1.4
69.47931	1.3
70.31984	1.4
80.91715	5.5
97.38488	1.3
102.82468	1.5
115.78147	1.3
121.87190	1.5
124.24039	1.6
125.09725	6.4
129.20409	1.5
131.99207	1.4
140.53758	1.3
162.06177	1.4
185.11906	11.5
190.13373	1.5
197.12025	1.8
293.21301	100.0
294.21597	1.9
315.19479	30.7
375.21854	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	375.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82469	0.8
57.07166	0.7
74.99072	1.8
78.95905	6.3
89.76597	0.7
93.00135	1.1
96.96999	1.3
127.26172	1.0
154.60220	1.0
159.08470	13.1
161.06445	3.9
209.01265	1.2
217.07208	3.2
234.82779	0.9
277.07434	1.5
279.23334	19.6
289.07718	2.0
291.09149	98.2
292.09290	1.4
309.10004	1.9
357.13828	1.5
359.15439	100.0
360.15527	1.6
375.18405	8.4
375.26410	1.8
377.15817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38826	0.6
55.01892	1.1
57.03476	1.4
58.00614	1.2
59.01392	77.8
61.98863	0.6
62.06678	0.6
71.01389	26.6
71.01774	0.9
72.99326	3.3
73.02972	1.5
75.00880	1.4
83.01408	3.0
83.86323	0.6
84.72437	0.7
85.02953	8.4
85.36169	0.6
87.00871	1.5
89.02451	27.9
95.01391	2.9
99.34138	0.6
101.02457	16.1
105.66549	0.6
113.02479	9.9
119.03497	7.1
127.05467	0.7
131.40114	0.7
134.41385	0.7
178.99870	1.3
183.13921	4.1
195.13954	12.5
197.00952	1.0
206.74104	0.7
213.15024	4.7
227.12901	0.7
266.27716	0.6
298.10120	0.8
375.20313	100.0
375.27298	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	375.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29954	0.3
54.41748	0.4
57.03468	0.5
59.01388	2.8
65.01524	0.4
65.33568	0.4
68.03678	0.5
71.01387	1.1
71.64333	0.5
73.02953	5.4
85.02927	0.6
87.00885	3.4
92.10129	0.8
111.08177	0.6
136.41136	0.5
165.04059	2.7
165.12863	21.9
178.99887	0.9
183.13916	100.0
184.14293	0.5
202.05476	0.5
209.11838	2.6
227.12932	61.5
228.13277	0.6
281.54214	0.5
321.77625	0.5
347.98923	0.5
375.16727	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	11.4
61.80922	2.7
65.47131	2.2
78.95907	39.4
80.79887	2.6
83.76009	2.3
96.96990	12.0
99.92643	2.6
110.89372	2.3
112.03085	2.4
156.92453	2.5
159.08493	14.1
161.06427	3.1
170.11588	2.8
219.15286	2.7
291.09137	90.5
327.12430	2.5
359.15491	100.0
375.18616	5.5
375.26660	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	375.1303
Annotation	9-Hydroxysemperoside
Peak:m/z	Relative Intensity
55.01909	0.8
55.66548	0.6
57.03458	14.2
57.39170	0.6
59.01390	23.5
62.69152	0.6
63.31215	0.5
65.12786	0.6
68.42401	0.6
68.99839	0.8
69.03478	2.8
71.01385	20.4
71.62096	0.6
72.99319	5.0
73.02946	0.7
75.00876	44.3
76.31423	0.7
83.01396	1.0
84.02232	1.0
85.02959	26.0
87.00883	16.1
87.04523	0.8
89.02457	7.1
97.02957	3.6
99.00883	10.3
101.02466	2.9
103.00317	0.8
109.06613	0.7
111.00890	1.4
113.02477	0.7
129.01947	21.0
133.10255	3.2
137.39050	0.6
141.01964	3.3
151.11316	0.7
153.09229	40.2
159.03015	7.3
167.10799	0.8
177.04063	81.4
178.99916	0.8
185.11887	0.7
191.05612	1.0
195.05135	13.2
197.08241	7.4
331.13995	3.8
357.11987	8.3
375.13025	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	375.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64740	0.5
59.01410	2.5
63.09718	0.5
68.93782	0.5
71.01403	3.6
73.02987	0.7
75.00866	1.2
76.83423	0.6
87.00901	1.1
89.02496	0.9
99.00894	6.2
101.02489	0.7
105.01956	1.2
105.27144	0.7
111.08163	0.9
121.02862	0.6
146.33467	0.7
147.03035	1.5
165.04060	4.9
165.12865	23.2
178.99954	0.7
183.13921	100.0
184.14296	0.8
195.05173	0.7
209.11833	1.1
227.12921	56.7
251.31778	0.6
285.66046	0.6
375.16705	17.3
375.21204	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83486	1.4
55.01889	8.4
57.03461	7.9
57.39753	1.1
58.00624	1.3
59.01387	100.0
71.01385	50.8
72.99325	2.4
73.02947	12.3
75.00881	6.3
83.01387	12.8
85.02949	43.0
86.00142	1.6
87.00874	5.6
89.02446	28.8
93.03453	3.0
95.01391	3.5
99.00883	3.2
101.02441	35.7
111.00888	2.4
113.02456	17.4
119.03522	13.0
120.33488	1.2
137.02452	8.1
147.03098	1.6
152.07158	7.1
153.07547	3.3
167.33878	1.3
169.12434	2.2
177.09213	7.7
178.99789	2.8
179.05545	2.3
191.01982	2.3
191.05603	2.6
196.01245	6.0
197.02094	9.2
213.01526	9.4
228.00337	2.8
357.15659	22.0
367.15396	1.6
375.06876	33.7
375.12747	3.7
375.16666	86.9
375.21365	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	375.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	3.1
58.00605	3.9
59.01389	100.0
68.30453	1.7
69.32302	1.4
71.01382	46.3
72.99333	2.5
73.02954	2.7
78.95914	4.3
83.01393	1.6
85.02970	11.3
86.27307	1.9
87.00877	8.7
89.02448	65.9
96.95998	9.0
96.96964	3.8
101.02451	25.1
107.05025	1.9
108.02194	2.9
113.02457	15.9
117.03477	13.2
119.03498	23.1
119.04994	2.8
121.02946	2.8
122.03728	2.0
123.04567	2.1
131.03543	2.3
133.02934	7.2
134.03758	22.2
135.04533	81.4
143.03468	2.2
145.02975	30.4
146.03711	12.6
147.04532	12.4
150.03233	3.3
161.02463	50.2
161.04482	4.4
162.03235	51.8
165.05583	3.7
170.54501	1.7
177.05571	20.4
178.54120	1.7
179.05608	14.6
179.57994	2.1
180.04324	16.4
195.06645	21.8
277.45251	1.9
297.09921	3.9
330.45364	2.0
347.27170	2.0
357.12024	8.4
357.86652	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37476	0.6
57.03467	0.7
58.00603	1.1
59.01388	100.0
61.98839	1.7
66.41819	0.5
71.01385	39.4
72.99329	4.2
78.95905	46.4
80.13994	0.7
82.70210	0.6
83.01417	0.9
85.02961	7.1
87.00883	1.0
89.02448	60.1
93.03488	0.8
95.01396	1.4
95.05052	1.2
96.95995	3.1
96.96957	7.1
101.02448	17.5
105.03476	6.1
113.02464	17.1
119.03502	19.1
131.03545	1.1
133.02963	19.1
134.03783	0.9
135.04524	5.4
143.03508	3.5
149.04602	1.5
161.02481	1.6
161.04555	4.0
174.99361	0.8
177.01938	7.8
178.99881	1.6
179.03996	1.2
179.05629	29.5
184.41304	0.6
191.05634	0.7
197.00954	1.2
197.88654	0.8
199.11452	0.8
201.01691	0.8
270.29056	0.7
337.15491	0.7
360.34512	0.7
375.06857	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	375.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98832	2.3
64.29799	0.4
71.01390	3.0
74.40137	0.4
79.30204	0.4
85.02965	0.9
88.71625	0.5
96.86198	0.4
101.02441	0.8
106.04246	0.4
107.05009	0.8
113.02466	0.6
114.60558	0.4
120.02189	2.4
123.04450	0.5
127.48447	0.4
135.04562	0.7
138.03214	7.6
153.05586	59.7
161.04565	2.7
167.03481	0.7
179.03485	0.9
180.04268	0.6
215.54849	0.5
273.34573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60160	0.3
58.54687	0.3
59.01389	10.9
61.98839	100.0
63.33844	0.3
66.63715	0.4
76.57480	0.4
78.58249	0.4
83.37842	0.4
84.75719	0.4
92.10791	1.3
118.44125	0.4
126.24314	0.4
138.42282	0.4
144.96370	0.3
151.18573	0.4
174.99307	0.5
217.00328	1.5
255.19426	0.5
311.22293	1.5
313.52466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03484	0.3
59.01389	4.8
71.01399	1.6
75.00876	1.9
78.95931	0.3
85.02979	0.6
88.05150	0.3
89.02469	0.4
89.03981	1.4
90.39578	0.3
92.10860	0.6
92.66398	0.4
93.03449	0.4
100.63571	0.3
101.02427	0.4
105.03437	2.7
113.02538	0.5
119.03461	0.4
119.04982	0.5
121.02929	0.5
129.02034	0.5
131.07149	0.6
133.02957	7.2
135.04543	2.4
136.01691	0.4
149.02438	0.4
153.01933	0.4
161.02431	1.5
177.01942	100.0
178.99884	2.8
179.03491	1.5
189.01743	0.5
191.05605	1.5
195.05150	0.8
197.00922	2.6
201.01730	1.3
243.03183	0.3
293.12503	1.5
312.72202	0.4
339.07257	7.7
375.07184	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61002	0.2
55.90792	0.2
59.01389	3.2
70.92216	0.2
71.01383	0.4
78.25797	0.2
78.95906	8.1
81.03485	0.3
85.02980	0.4
88.98836	0.3
89.02456	0.3
89.03991	1.2
92.65231	0.3
93.03484	0.5
96.96007	0.4
96.96992	0.6
105.03464	4.1
109.02979	0.4
115.21999	0.2
119.70281	0.3
121.02998	0.3
133.02968	13.7
134.03682	0.3
135.04536	2.0
136.98514	0.2
143.99644	0.3
149.02480	0.4
161.02438	1.5
177.01958	100.0
178.02277	0.4
178.99844	1.1
179.03539	0.6
179.06085	0.2
189.01720	0.5
195.05042	0.5
197.00940	1.5
199.47612	0.2
201.01767	0.4
217.00270	0.3
279.13715	0.3
339.07297	8.9
375.06973	4.6
375.12411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64182	1.0
56.53257	1.0
59.01386	47.7
61.98855	1.6
63.61509	1.0
71.01384	2.2
71.21398	1.1
84.42284	1.2
85.18835	1.1
88.98822	2.3
108.02161	1.7
108.96571	1.1
109.02959	100.0
115.94041	1.2
121.02988	2.4
123.69484	1.2
134.94344	1.1
161.02492	1.8
171.08247	1.5
171.09978	1.1
173.04581	4.4
178.99805	1.3
185.12015	1.2
217.00333	1.7
241.59055	1.1
374.26389	2.2
375.27310	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	374.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
61.98851	1.2
62.96405	0.2
68.88377	0.2
74.65118	0.1
78.95909	100.0
82.03011	0.1
92.48994	0.2
94.54572	0.2
96.96964	13.0
100.56544	0.1
101.02424	0.2
110.12624	0.2
112.26597	0.2
133.02954	0.4
139.83748	0.2
146.41666	0.2
150.97995	1.0
177.01971	1.8
179.54173	0.2
187.18909	0.2
241.01186	0.7
252.97360	0.1
374.06519	17.8
375.06998	0.4
385.46384	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	374.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06932	0.5
54.82687	0.7
59.01392	8.9
61.98837	100.0
66.00037	0.5
68.97090	0.7
69.89647	0.5
70.50874	0.4
74.30012	0.5
87.83865	0.5
125.74029	0.5
200.97859	0.7
209.18279	0.7
211.78427	0.5
217.00310	2.4
296.03143	0.6
338.77017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14307	2.7
54.93576	2.5
57.14686	2.4
58.67669	2.3
59.01402	31.1
61.98869	4.0
80.91692	6.8
81.62020	2.9
121.10261	30.2
125.09709	11.8
133.55861	3.2
140.04785	3.8
149.45335	3.4
160.19870	3.5
162.19757	3.4
172.05209	3.4
185.11859	13.0
197.11917	4.9
207.10028	5.1
245.19141	12.7
291.19757	73.6
313.17880	100.0
385.13242	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	373.2
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75699	0.7
56.76620	0.8
59.01390	18.9
61.98861	2.1
63.67527	1.0
65.70282	0.8
68.71725	0.8
92.10089	1.9
93.03446	3.1
148.08955	1.1
150.10513	0.8
165.12875	28.6
191.14563	1.0
244.10773	4.6
247.20764	17.0
273.18661	7.1
291.19717	100.0
292.20044	1.1
313.17896	12.8
373.20078	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	373.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91217	0.2
57.03450	2.6
59.01381	3.4
60.64017	0.2
60.77374	0.2
61.98833	2.5
69.03469	0.5
69.54875	0.3
73.02963	0.5
83.05029	0.4
87.04568	0.4
93.03457	0.5
97.06604	0.4
111.08183	0.3
113.09723	0.5
121.02965	1.1
123.08174	1.7
125.09763	3.0
127.11279	1.8
137.09740	1.7
139.11311	0.5
141.09212	0.5
143.10872	0.4
145.05049	0.7
153.09215	0.7
153.12889	0.5
155.03836	0.3
155.10762	2.1
157.12241	0.3
163.06161	0.4
171.10275	8.8
173.04579	0.5
183.13936	2.8
185.11893	3.9
199.43604	0.3
201.15094	0.3
215.12874	1.1
227.12857	1.0
230.15248	0.7
244.19902	0.4
322.87775	0.3
327.22189	0.7
343.24966	1.6
355.24927	2.2
371.24542	1.5
373.26025	100.0
374.26202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60325	0.6
55.01904	0.9
57.03454	0.9
59.01386	20.0
59.01656	1.1
61.98844	2.1
69.03467	1.6
71.01400	5.1
71.42194	0.7
72.99333	1.4
73.02964	4.6
75.00886	1.5
81.03461	1.1
82.95438	3.3
83.05058	1.8
85.02969	1.9
89.02429	1.3
93.03460	11.5
101.02452	1.2
104.75693	0.8
109.03043	0.9
111.00900	10.8
111.04545	6.1
119.05047	1.1
121.02980	3.3
125.02451	3.6
135.08182	1.9
137.02441	8.4
137.09740	8.5
148.44489	0.8
152.03465	0.9
155.03534	4.8
155.10797	100.0
163.03891	0.9
173.04622	9.1
177.03990	0.8
191.05661	4.7
194.54124	1.1
197.11777	1.0
199.09787	49.5
199.11586	1.9
282.43378	0.9
341.65805	1.0
346.04102	0.9
373.15045	22.6
373.18863	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1876
Annotation	Dictamnoside N
Peak:m/z	Relative Intensity
51.63471	0.6
54.82851	0.8
59.01388	24.7
61.98838	1.8
63.80996	0.7
71.01379	6.6
78.91657	0.7
85.02960	4.7
89.02446	3.5
101.02451	1.5
113.02451	4.9
121.02953	4.1
125.09682	0.8
144.53975	0.8
169.12437	0.9
171.10294	1.3
173.04504	3.2
183.13931	10.2
185.11848	3.6
193.12349	2.0
211.13425	100.0
212.13747	0.9
225.14917	1.8
225.84601	0.8
253.14482	1.2
301.20410	1.0
343.25061	1.5
355.25015	3.7
373.26016	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84451	0.1
55.92798	0.1
57.03442	0.1
59.01384	1.6
61.95785	0.2
65.65295	0.1
67.01918	0.1
69.03455	0.2
71.01385	1.1
73.02959	0.3
78.28660	0.1
81.03452	0.3
83.05044	0.6
85.02966	11.7
85.08914	0.1
87.00893	2.5
92.65842	0.1
93.03458	3.4
99.04515	0.3
106.33118	0.1
109.02960	0.8
111.04538	1.2
113.02437	0.2
116.70636	0.1
127.04024	2.4
155.03595	0.2
171.03058	1.0
173.04541	1.6
191.05644	100.0
192.05931	0.6
261.80621	0.2
274.15738	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21723	0.4
57.03450	1.1
59.01384	13.5
60.99331	0.5
62.86926	0.6
64.38763	0.4
67.01897	5.9
69.03471	0.8
71.01382	7.1
73.02946	2.1
75.00867	0.6
79.94191	0.5
83.05032	1.2
85.02982	2.4
87.00870	0.9
93.03456	37.9
96.33832	0.5
99.00852	0.6
101.02457	0.8
109.02974	1.0
111.00905	1.1
111.04531	8.9
121.03017	0.8
125.72301	0.5
127.04065	0.7
137.02446	6.1
137.09726	2.3
146.88232	0.5
155.03502	6.5
155.10794	30.1
173.04561	100.0
181.12325	3.2
195.77330	0.6
199.09807	10.3
225.11324	0.5
316.40915	0.6
322.23584	0.4
373.15067	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	373.1143
Annotation	Dercitamide
Peak:m/z	Relative Intensity
59.01385	11.6
60.05106	0.5
61.98843	1.0
71.01385	4.7
72.99307	27.6
73.02942	1.1
75.00870	0.8
78.91892	7.9
82.83780	0.7
82.97878	0.7
85.02964	3.1
87.00893	0.7
89.02448	4.2
91.05534	1.1
93.03462	5.5
96.96004	0.6
99.00864	0.8
101.02453	2.9
113.02489	1.0
119.05019	8.8
121.02904	1.0
135.04538	4.8
137.02441	10.3
147.04538	39.4
151.07654	1.3
155.21541	0.8
163.03989	6.5
165.05524	2.8
191.03529	99.8
192.03943	0.6
209.04590	85.0
239.41583	0.7
250.67287	0.6
347.09363	0.7
373.11462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96052	1.1
55.01900	5.8
57.03464	2.3
59.01388	61.8
61.98856	8.0
63.11682	1.0
71.01382	55.9
71.05006	2.1
72.99337	5.6
73.02946	17.3
78.95909	5.3
83.01411	8.1
85.02956	24.4
87.00908	2.2
89.02451	15.5
93.03447	2.0
95.01408	5.6
96.96035	8.4
99.00890	5.3
100.59550	1.3
101.02447	25.7
106.04298	8.8
107.04305	3.3
107.05038	100.0
108.02186	19.1
108.70734	1.2
109.03007	1.7
113.02459	22.0
115.03969	1.4
116.44311	1.5
118.29709	1.2
119.03522	6.1
119.05025	1.7
121.02983	2.3
123.00903	5.2
123.04527	21.5
124.01720	1.9
125.02509	1.8
137.06143	2.5
147.04546	3.1
148.04073	2.4
149.02493	1.5
149.04453	2.2
149.06094	1.9
150.03223	11.8
151.04024	64.0
152.01186	3.0
153.05585	10.2
161.04576	23.0
165.05562	2.2
166.05122	6.5
167.03519	8.5
167.05458	5.6
177.01866	1.9
178.02736	46.9
191.03548	7.2
193.03322	1.9
193.05084	56.2
209.04565	6.8
210.04176	1.6
211.02597	2.2
211.04440	2.3
313.09372	7.3
337.14917	2.1
349.52802	1.3
373.07510	18.3
373.11771	11.0
374.16852	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93605	0.5
59.01390	3.1
63.63964	0.5
63.76880	0.5
90.68945	0.5
93.03501	0.6
99.56549	0.5
121.02960	100.0
214.54741	0.6
355.75784	0.7
372.24606	0.8
373.25827	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43824	0.4
53.49037	0.4
59.01392	3.4
71.01438	0.5
92.07738	0.5
93.03457	0.9
95.77316	0.4
121.02967	100.0
122.03275	0.5
135.04533	2.4
149.06128	0.6
154.62372	0.6
184.49886	0.5
196.07686	0.4
205.83093	0.5
211.05806	0.5
211.13478	0.5
356.99042	0.6
373.25949	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	373.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27772	0.2
53.22944	0.2
57.03462	0.3
59.01390	2.4
61.98843	0.4
64.34852	0.2
68.67400	0.2
86.56071	0.1
89.49268	0.2
93.03461	0.3
119.05031	1.1
121.02959	100.0
122.03304	0.3
131.05045	0.3
135.04527	0.9
149.06084	0.2
151.04074	0.2
158.03810	0.2
159.04482	0.9
161.51505	0.2
171.10307	0.3
173.04588	0.2
177.05583	3.4
190.94846	0.2
211.13367	1.4
215.12939	0.2
227.78329	0.2
237.50179	0.2
249.17957	0.2
255.03064	0.2
355.24841	0.2
358.10660	0.2
373.26028	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	372.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82013	0.3
59.01387	1.9
59.96644	0.3
61.98844	100.0
69.70930	0.4
71.86070	0.3
92.41666	0.5
111.75023	0.4
117.06679	0.4
119.52013	0.4
122.93369	0.4
123.27672	0.4
139.53529	0.4
141.49184	0.4
190.87578	0.4
196.33781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61973	81.2
59.01380	85.6
101.44064	94.6
168.77942	91.7
237.54329	84.2
312.87338	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	372.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41132	55.0
55.49471	66.4
56.29461	55.7
56.60930	61.1
59.23532	54.0
61.98833	100.0
65.13592	55.8
67.30534	58.1
76.97314	59.1
106.65087	63.2
282.27936	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
64.97919	52.5
102.18142	67.5
134.51633	64.0
137.03384	60.8
142.18762	74.5
146.16936	66.9
163.49178	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69088	47.0
59.01381	100.0
59.31312	45.7
89.51891	71.2
90.10683	54.0
129.94608	63.7
133.12314	61.2
155.97060	64.6
162.83913	72.6
167.62074	67.9
208.93153	61.6
229.26256	63.6
367.97437	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41304	0.2
59.01405	0.2
61.98843	100.0
74.92083	0.2
84.52777	0.2
92.10784	0.4
139.18718	0.2
192.01793	0.2
220.04204	0.2
229.30325	0.2
236.87111	0.2
290.11218	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68829	0.4
59.01395	1.1
61.98841	100.0
63.39478	0.5
66.11128	0.5
73.16066	0.5
115.92069	0.5
118.63893	0.6
125.31087	0.5
264.63992	0.5
304.86450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39759	0.3
59.01381	0.6
61.98837	100.0
71.94978	0.4
76.47086	0.4
92.10793	1.2
110.63177	0.4
179.89856	0.4
184.69614	0.3
258.31042	0.4
282.90671	0.4
342.64175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41593	0.3
59.01369	0.5
61.45238	0.3
61.98833	100.0
66.06626	0.3
66.47779	0.3
78.98853	0.3
97.08691	0.3
102.13789	0.3
110.97166	0.4
140.46935	0.4
141.64836	0.3
330.55029	0.3
353.05676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10453	0.5
59.01395	1.0
61.98835	100.0
65.01031	0.5
107.56187	0.5
115.92798	0.6
134.63185	0.6
178.11993	0.5
265.78049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2443
Annotation	19(R)-hydroxy-PGF1alpha
Peak:m/z	Relative Intensity
53.19564	0.2
57.03460	0.7
58.00599	0.4
59.01398	2.1
68.50013	0.3
69.18138	0.3
71.05033	0.5
73.02968	1.2
84.28038	0.3
87.04523	0.4
93.03460	0.4
95.84794	0.3
97.06575	2.2
113.06110	0.4
123.08163	2.1
125.09729	2.9
137.09709	0.4
139.11290	2.6
141.12869	1.2
151.11215	0.5
153.09251	0.4
155.10732	0.5
157.12306	1.2
158.13788	0.3
169.12305	0.4
171.08875	0.3
171.10275	7.1
185.11842	9.3
198.01515	0.4
214.12177	0.7
215.12914	2.1
241.14398	0.5
243.15988	2.1
255.16156	0.3
267.95618	0.4
275.37668	0.3
281.07959	0.3
293.21429	0.4
311.22348	1.5
323.22430	0.4
341.23367	8.9
353.23328	1.8
369.22824	0.4
371.24445	100.0
372.24817	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	371.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
81.11066	0.8
92.10172	1.5
94.74438	0.8
102.65581	0.8
193.94839	0.9
202.26767	0.9
351.61237	0.8
371.33771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	7.2
57.03460	2.7
59.01387	49.9
61.98839	69.2
71.01383	41.8
72.75571	1.6
72.99313	2.3
73.02966	4.7
78.95910	2.5
83.01410	4.2
85.02963	20.6
87.00878	3.8
89.02464	4.5
89.89211	1.8
92.10949	1.8
95.01399	1.9
99.00883	2.8
101.02448	31.8
107.04245	1.8
107.05037	10.4
109.02950	2.8
113.02443	14.9
118.03027	1.7
119.03492	1.7
121.02986	4.0
122.03313	2.5
135.04526	2.2
136.04842	2.5
142.64958	2.0
143.03516	1.9
150.03146	3.1
150.05614	100.0
153.01889	1.8
161.04564	25.0
163.03909	1.9
177.05582	4.6
178.02678	13.1
178.05984	11.8
190.05836	2.5
193.05049	15.4
222.04956	7.4
312.07996	6.7
312.11008	76.2
325.09824	2.1
334.12347	3.3
342.62399	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24520	0.6
53.02826	0.8
56.28065	0.8
57.03456	13.5
59.01384	18.4
59.63877	0.8
69.03461	0.9
71.01385	23.3
72.99314	3.8
73.02963	0.9
75.00873	44.6
78.95930	0.9
83.01402	1.5
84.02168	1.3
85.02956	23.5
87.00875	17.0
89.02443	9.7
89.03966	1.3
92.10743	1.7
99.00900	10.1
101.02430	1.8
110.16222	0.8
111.00899	0.9
117.03463	10.0
129.01048	0.9
129.01949	23.3
132.67058	1.0
133.03008	0.9
134.03745	100.0
137.02420	1.3
149.06062	8.2
159.03017	6.8
160.01669	5.4
169.41916	0.8
174.74167	0.8
175.03970	5.2
176.04787	3.6
177.04057	78.5
178.02728	1.3
191.07109	3.0
193.03311	1.9
193.05078	58.1
195.05122	58.9
207.06793	1.0
212.85152	0.8
235.06142	3.3
353.08771	1.8
371.09882	71.5
372.10248	1.1
377.07083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22364	0.4
53.69085	0.4
59.01390	8.0
59.61369	0.4
61.98858	0.4
69.03445	0.5
71.01394	1.0
77.91273	0.4
85.02959	0.7
87.00875	0.5
87.04527	0.4
93.03471	2.5
101.02451	0.8
105.05583	0.6
107.01426	0.5
107.05016	0.4
113.75901	0.4
119.05067	0.5
121.02959	100.0
125.02429	0.9
135.00899	2.1
135.04517	3.9
137.02449	3.1
167.03438	1.8
347.65759	0.5
374.93481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61916	1.0
59.01397	100.0
61.98846	1.8
64.34471	1.1
71.01405	4.7
72.99336	4.7
75.00894	2.2
81.20297	1.2
84.95161	1.6
85.02973	5.5
87.00886	1.7
89.02448	2.7
93.03472	1.7
96.96036	2.3
97.71130	1.1
101.02489	1.4
103.05487	1.3
111.08151	2.5
130.04262	14.1
131.05037	57.7
133.02936	2.6
134.03751	18.5
135.03568	1.2
135.04538	5.3
136.04863	1.9
137.02316	1.0
149.06093	76.2
153.41890	1.2
154.12038	1.1
155.07147	2.7
159.99849	1.2
167.03491	1.7
173.04616	1.6
178.02710	1.4
178.99872	2.0
179.03490	2.6
180.03804	1.6
189.32822	1.2
191.05602	6.3
193.04971	14.1
197.01010	1.7
207.88748	1.2
208.07407	2.4
209.08205	2.6
259.10406	1.2
270.80841	1.3
335.13461	1.4
342.13696	1.2
379.05682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15329	0.5
57.03462	2.4
59.01389	9.6
67.01913	0.7
71.01395	21.9
72.99316	6.4
73.02977	2.1
75.00873	4.7
75.91521	0.5
81.03493	0.6
81.73166	0.5
83.01388	0.9
85.02966	16.0
87.00887	17.2
89.02494	4.2
93.03453	9.8
99.00901	4.0
99.04503	0.9
101.02469	3.2
101.06112	0.9
109.02983	1.1
111.00893	3.6
111.04527	2.9
112.98820	9.1
115.00368	8.5
119.03503	0.7
123.04521	0.8
127.04014	3.2
129.01973	2.9
133.01460	4.3
135.04536	14.3
138.98471	0.6
147.03011	9.6
147.06639	4.5
149.04582	0.9
153.05606	0.6
155.03543	0.8
161.04529	2.2
165.04085	1.3
173.01053	1.8
173.04604	6.9
178.99820	3.2
179.05624	6.6
180.00246	2.6
181.07204	1.1
191.05640	100.0
192.05949	0.6
192.17319	0.5
197.00952	2.1
198.01268	2.6
217.61061	0.6
235.06091	0.7
261.72052	0.6
322.49487	0.6
341.09070	2.3
353.08826	1.1
371.09860	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82701	0.3
59.01412	1.8
60.99318	0.6
67.01892	3.3
69.03456	0.5
70.72379	0.3
71.01386	2.3
72.99339	0.5
73.02954	1.6
85.02949	10.8
87.00871	7.7
93.03455	19.5
109.02966	1.6
111.04512	3.6
121.02959	0.4
123.04530	1.5
127.04028	2.2
129.02014	0.4
133.02896	0.4
135.04530	23.5
136.01677	2.1
137.02466	1.8
151.04041	2.1
153.05583	1.3
155.03526	1.5
161.02469	2.3
165.23015	0.3
167.03543	0.5
170.98061	0.4
171.85495	0.4
173.04549	16.7
179.03456	0.4
183.33040	0.4
191.05630	100.0
192.05911	0.5
197.04570	0.9
219.06697	0.4
235.56662	0.3
271.49850	0.3
293.03079	0.4
341.08710	3.0
353.08759	2.5
371.09875	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62865	0.4
57.58538	0.5
59.01394	0.9
61.98835	100.0
68.52966	0.4
71.01447	0.5
83.27629	0.5
85.85572	0.5
91.01909	0.6
113.87173	0.5
163.64391	0.6
178.99870	4.6
184.57744	0.5
185.16382	0.5
197.00993	2.9
202.85284	0.6
233.81149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68494	0.2
57.50182	0.2
59.01388	0.5
61.98836	100.0
62.59085	0.2
68.03273	0.2
82.00571	0.2
86.00889	0.2
114.93091	0.2
130.84064	0.3
136.11029	0.3
140.48444	0.3
140.86559	0.2
178.99840	1.5
197.00877	1.3
200.84145	0.3
264.54257	0.3
272.25757	0.3
366.63583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82882	0.2
59.01392	0.2
59.59401	0.1
61.98845	100.0
121.02967	2.0
122.03316	0.2
134.49001	0.2
177.71765	0.2
178.02678	0.3
178.99875	1.0
197.00911	0.7
261.46494	0.2
313.07309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98825	2.2
76.57614	2.2
79.37341	1.8
99.92569	24.4
129.15631	2.0
141.86818	2.6
141.93620	2.7
159.87938	2.6
160.84247	4.3
178.99719	2.2
227.20168	3.0
249.67888	2.1
370.14594	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	369.3375
Annotation	2-Hydroxytricosanoic acid
Peak:m/z	Relative Intensity
60.23588	1.1
64.62109	1.3
76.30736	1.2
87.78828	1.4
103.44826	1.7
107.04362	1.3
149.82491	1.4
188.77971	1.5
265.59024	1.4
323.33170	2.7
369.33792	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2438
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
59.01395	0.6
61.65157	0.5
67.45937	0.5
81.19061	0.5
114.18075	0.6
124.50333	0.7
133.10228	3.1
141.44753	0.6
147.08191	0.8
161.09729	0.9
163.11304	100.0
178.99948	1.3
179.10785	22.4
187.11295	0.9
193.12349	21.3
197.00838	0.7
197.87503	0.6
228.03438	0.6
337.21832	15.1
369.24414	64.9
370.24744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3015
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
50.05117	0.6
54.44115	0.6
57.03467	0.8
57.66249	0.7
61.76458	0.6
61.98865	1.4
64.46315	0.6
68.81239	0.6
82.81636	0.8
89.56310	0.7
94.20760	0.7
127.51855	0.8
130.37909	0.7
178.99881	2.9
193.12341	4.3
197.00902	1.3
223.42874	0.8
277.36276	0.8
279.26978	1.0
289.73294	0.9
305.28290	0.8
307.30124	91.1
325.31189	1.4
351.29114	26.7
369.30154	100.0
370.30542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45814	0.6
59.01389	9.6
63.62088	0.6
67.22013	0.8
71.01378	10.3
72.99314	0.9
83.01418	0.9
85.02938	1.6
87.27006	0.8
89.02456	2.9
90.52342	0.7
92.10137	1.5
93.03470	3.2
100.88903	0.7
101.02440	1.1
103.04041	1.4
113.02470	1.1
119.05036	1.8
121.02958	100.0
126.23262	0.8
135.04535	86.5
136.83640	0.7
137.02451	3.4
145.16106	0.7
163.04022	12.7
164.24551	0.7
165.01906	7.0
173.04561	3.5
179.03555	1.4
191.05623	1.8
197.04608	0.9
213.73582	0.8
216.72908	0.8
223.06152	2.7
237.89441	0.8
247.08328	1.3
344.63931	0.9
364.98050	0.8
369.11908	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	369.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31809	0.3
54.20311	0.4
57.03479	0.3
59.01389	100.0
71.01377	4.0
73.02940	0.9
85.02965	1.0
85.96136	0.4
87.00948	0.4
89.02460	1.1
93.03473	1.0
95.01418	0.4
101.02438	2.3
106.04246	0.4
113.02454	2.8
119.05020	3.5
121.02966	6.3
131.05060	1.0
135.02960	0.7
135.04520	2.5
147.04539	70.7
148.41057	0.5
161.02504	0.5
161.04707	0.6
161.06062	3.0
163.04004	0.9
173.04572	2.0
179.03481	0.6
189.05560	2.0
191.05540	0.5
207.06641	0.7
245.81636	0.5
309.09781	0.6
322.84528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61119	0.3
57.70847	0.3
59.01395	0.8
61.98839	100.0
66.52373	0.3
89.98512	0.4
168.84979	0.4
189.08595	0.4
248.67844	0.4
253.20313	0.4
376.90356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67355	0.6
54.82553	0.4
59.08282	0.5
59.16260	0.4
92.54816	0.6
93.03452	0.8
108.02184	2.9
109.02972	0.7
110.00082	1.0
111.00895	4.4
117.03493	1.1
121.02948	1.1
123.00886	2.3
135.00867	0.6
137.02438	14.5
145.02982	3.9
148.05244	0.6
149.05612	0.8
161.02458	7.4
166.70630	0.5
167.05005	2.3
169.06583	1.0
171.04521	0.9
173.02487	0.8
179.04997	0.6
181.06685	0.8
189.01961	14.2
193.06595	8.1
195.04485	2.9
196.05246	1.1
197.06084	4.0
201.05569	5.8
208.05167	0.8
209.06100	5.6
219.04546	1.3
220.05304	3.0
221.06102	18.1
221.09973	0.7
225.05527	2.7
227.07309	0.7
236.04828	1.3
237.05618	13.3
238.06401	1.1
247.04018	4.3
248.04831	3.4
249.05611	5.0
253.05025	0.7
263.92334	0.6
264.04269	3.9
265.05093	83.7
266.05856	20.0
275.03497	0.9
293.04562	6.5
325.07227	100.0
326.07758	1.0
336.73743	0.7
369.06226	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	369.083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55342	0.6
57.03462	1.3
59.01402	5.2
60.99324	3.4
61.98835	1.1
62.51678	0.6
64.98568	0.6
67.01896	13.7
69.03470	2.8
69.48315	0.6
71.01390	4.4
77.03961	1.1
78.09481	0.6
81.03482	3.7
83.05040	3.1
85.02955	13.5
87.00877	18.8
89.04012	0.9
93.03459	75.7
95.05019	3.1
96.95992	1.4
99.00875	1.7
99.04500	1.0
105.03473	11.6
107.05035	4.0
109.02967	4.4
111.04538	13.0
123.04536	3.2
127.04014	2.8
129.01939	1.7
133.02962	100.0
133.69620	0.6
135.04524	4.3
150.03238	1.2
151.04015	3.8
155.03542	3.4
171.03009	0.8
173.04561	40.9
177.01942	10.4
179.03513	1.3
191.05632	85.8
195.03040	14.5
215.05653	8.9
258.49133	0.7
307.08148	1.1
351.07300	15.6
369.08286	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	369.1196
Annotation	Hapalindole F
Peak:m/z	Relative Intensity
57.03465	3.6
59.01389	14.3
62.21361	0.5
63.15392	0.5
71.01382	8.7
73.02972	0.7
78.31142	0.6
85.02955	20.8
87.23188	0.7
89.02467	1.1
93.03471	1.0
101.02448	1.2
103.04014	20.1
103.04645	1.1
107.61728	0.6
109.02969	0.8
121.02959	100.0
135.04532	67.9
137.02438	0.8
138.23259	0.6
145.05148	0.7
157.42160	0.6
163.03999	6.6
178.99886	0.8
223.06203	0.7
248.67258	0.7
266.31992	0.7
369.11969	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	3.3
56.33583	0.5
56.98322	0.5
57.03465	2.5
59.01389	8.6
71.01385	23.5
73.02947	9.7
75.00896	0.7
83.01409	3.2
85.02962	13.7
85.03461	0.8
87.00865	0.9
89.02447	1.2
92.10153	1.0
93.03474	3.7
95.01405	2.3
99.00883	1.0
101.02445	11.1
103.04001	0.7
106.04245	9.2
107.05038	100.0
108.02196	1.3
108.05396	0.6
113.02453	11.1
119.05009	0.8
131.05023	1.3
135.04517	4.7
144.78230	0.7
148.90736	0.6
149.06120	1.2
159.03021	1.2
161.04575	7.1
179.03444	2.7
191.05678	1.2
214.12729	0.5
341.08856	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15534	0.3
54.56279	0.3
55.40139	0.3
59.01388	0.3
61.50620	0.3
61.98839	100.0
70.14060	0.3
116.05888	0.3
137.09396	0.4
148.25093	0.3
238.76518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.2
57.03458	1.5
58.53199	1.1
59.01388	100.0
60.90695	1.3
61.98824	10.2
65.57926	1.1
67.17974	1.0
71.01385	25.6
71.54247	1.0
73.02941	10.2
79.88956	1.1
83.01405	6.6
83.05040	1.2
85.02959	14.1
87.00895	2.0
89.02464	1.8
93.03472	1.9
99.00909	2.6
99.47588	1.3
101.02451	24.8
113.02475	12.7
115.00404	1.7
119.03473	1.5
119.05061	5.9
121.02960	1.5
135.02998	1.6
145.12364	1.7
161.04564	8.6
163.04045	7.2
173.04631	1.7
177.04013	4.4
191.05635	4.8
307.17709	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56477	1.5
53.04348	1.5
53.72889	1.5
53.85045	1.5
55.01906	11.3
57.03468	4.5
59.01392	64.3
61.98820	2.3
71.01387	56.5
71.05020	1.6
72.99371	2.2
73.02960	38.7
82.79701	1.7
83.01413	18.0
84.64221	1.7
85.02968	40.6
89.02467	12.0
95.01378	4.5
97.02964	3.2
99.00884	13.7
101.02453	88.8
104.08372	1.7
113.02428	28.1
113.51717	1.8
119.05031	24.6
125.02429	2.1
126.31066	1.5
127.80318	1.6
131.03510	2.1
134.03740	9.1
143.03482	1.9
158.56818	2.2
159.03070	2.9
161.04584	21.1
162.04985	2.3
163.04056	18.7
191.05675	4.2
193.05067	4.6
209.37869	2.1
235.11893	99.1
329.89273	2.3
336.77704	2.2
367.16147	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	367.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32602	0.1
58.02992	0.1
59.01391	0.3
59.12256	0.1
61.98842	100.0
84.06748	0.1
85.78080	0.1
93.46673	0.1
107.36594	0.1
137.02332	0.1
168.13968	0.2
169.14319	0.2
210.36249	0.1
215.13260	0.1
247.12186	0.2
249.52385	0.2
293.60663	0.2
325.66022	0.1
336.17807	0.1
379.14050	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	367.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26476	1.1
52.45533	1.0
55.01885	11.6
57.03472	6.3
59.01385	77.5
61.98841	4.9
71.01385	56.9
71.01778	1.9
72.16267	1.1
73.02946	34.5
73.95979	1.0
75.00894	2.9
80.60744	1.0
83.01392	16.1
83.69953	1.1
85.02959	33.2
87.00895	7.8
89.02441	13.0
94.05390	1.4
95.01410	1.7
96.47607	1.6
96.96021	15.5
97.02985	2.1
99.00883	13.9
101.02451	62.6
101.03096	2.4
113.02464	25.5
117.03468	2.3
117.92696	1.1
119.05040	17.2
121.02959	6.9
125.02420	1.2
129.01927	1.5
134.03748	4.6
135.02988	1.6
141.02007	1.4
143.03535	2.1
145.02959	12.4
159.02994	7.9
161.04568	19.9
163.04010	14.7
173.04543	1.4
177.04048	6.2
181.10986	1.2
188.40401	1.3
191.05621	1.8
193.05089	4.8
205.06242	1.8
235.11899	87.9
263.05695	7.0
281.06784	1.8
367.16174	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	367.1532
Annotation	Louisfieserone B
Peak:m/z	Relative Intensity
59.01389	39.0
72.00920	5.7
78.95914	18.3
88.77984	4.3
93.03475	5.7
108.08223	6.0
113.94981	4.8
119.05035	29.1
121.02922	5.3
142.06619	5.1
145.02963	19.7
163.03995	22.1
163.91884	4.3
177.04185	6.6
191.05582	8.1
210.01540	4.2
229.06285	5.0
258.12204	5.1
363.92001	5.1
367.15372	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	367.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82707	3.8
59.01405	64.3
67.10943	3.7
70.84906	3.6
71.01378	5.4
83.60956	3.6
85.02985	7.2
93.03477	17.7
103.53357	3.9
108.78374	3.8
119.05027	100.0
119.05815	6.9
133.01463	14.9
135.03004	7.2
135.04573	28.8
137.02481	5.1
140.45082	3.8
149.00648	6.7
163.04022	100.0
177.03992	5.3
179.03514	15.9
179.80502	4.2
180.94417	4.0
191.05658	28.4
215.67445	3.7
347.19150	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	367.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
94.47472	0.3
106.04250	51.4
108.02170	0.2
121.02950	1.4
138.03238	9.0
146.07327	0.4
150.03250	2.7
155.38312	0.2
161.09732	74.0
162.10052	0.4
182.02231	2.9
191.05612	0.5
205.08728	100.0
206.09093	0.3
236.77106	0.3
281.65607	0.2
282.97958	0.2
336.96280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	39.0
72.00920	5.7
78.95914	18.3
88.77984	4.3
93.03475	5.7
108.08223	6.0
113.94981	4.8
119.05035	29.1
121.02922	5.3
142.06619	5.1
145.02963	19.7
163.03995	22.1
163.91884	4.3
177.04185	6.6
191.05582	8.1
210.01540	4.2
229.06285	5.0
258.12204	5.1
363.92001	5.1
367.15372	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	367.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79509	0.1
59.01387	1.1
60.97556	0.1
71.25748	0.1
75.72679	0.1
88.19726	0.1
88.35233	0.1
93.03434	0.1
119.05024	0.2
121.02963	1.0
138.85466	0.1
147.04533	1.9
148.05322	100.0
149.05634	0.9
163.07663	40.6
164.08008	0.2
165.59923	0.1
170.13805	0.1
257.41501	0.1
334.21017	0.1
377.92010	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	367.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28933	0.2
51.61315	0.2
54.83088	0.2
56.45504	0.2
59.01400	1.2
60.44704	0.2
71.95554	0.2
78.92678	0.2
135.06728	0.2
148.05327	100.0
149.05725	0.4
163.07666	46.0
164.07968	0.3
166.87570	0.2
191.34248	0.2
206.98177	0.3
307.41812	0.2
375.58060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70507	0.4
50.77637	0.4
55.01885	1.1
57.03467	0.8
59.01387	32.1
60.94980	0.4
61.98846	1.0
66.71478	0.4
71.01389	14.2
72.99330	3.1
73.02948	73.4
75.00867	0.6
76.08506	0.5
80.42131	0.5
83.01406	2.5
83.05029	1.2
85.02959	7.2
85.15312	0.5
85.29189	0.5
87.00885	2.4
87.04577	0.5
88.98829	2.3
89.02446	9.0
90.76804	0.5
92.10166	0.7
93.03454	0.7
95.01424	1.0
96.96037	1.2
99.00890	10.2
99.04526	0.9
101.02443	10.6
107.05050	9.6
111.00933	0.6
111.04520	0.6
113.02460	6.4
115.00367	0.7
115.04044	2.1
116.92877	5.3
117.01950	100.0
119.03522	3.4
122.03726	2.0
125.30778	0.5
127.04005	1.3
129.02034	0.6
143.03459	0.6
145.05096	2.2
160.04045	0.7
160.05322	0.6
161.04573	6.1
179.05664	2.2
191.05699	0.7
205.03622	0.7
289.09308	2.1
295.14053	4.6
307.10382	5.1
307.14026	3.5
341.08759	6.0
367.06625	2.2
367.12469	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77750	0.4
59.01394	5.8
60.92384	0.5
68.52158	0.4
71.01385	1.9
77.61490	0.4
80.80666	0.4
83.05198	0.4
85.02965	11.2
87.00900	2.6
93.03459	5.0
109.02986	1.0
111.04556	2.0
119.05035	1.9
127.04039	3.2
133.01445	0.7
134.03754	3.1
135.03052	0.6
163.04016	3.1
173.04562	1.8
177.04074	1.9
191.05649	100.0
192.05911	0.5
193.05084	0.6
310.70776	0.5
354.22327	0.5
367.10419	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1039
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
55.01888	0.7
56.13591	0.3
57.03451	0.6
59.01389	9.6
61.98840	0.5
64.35271	0.3
67.01924	0.3
70.25181	0.3
71.01389	7.2
71.60796	0.4
73.02954	4.1
80.41753	0.4
81.03498	0.6
83.01413	2.4
83.05031	0.8
84.95104	0.4
85.02967	5.9
87.00894	0.8
89.02451	0.7
89.03996	1.8
93.03471	3.4
94.20779	0.3
99.00914	1.9
101.02451	6.6
111.00938	0.6
111.04555	3.4
113.02460	3.0
117.03485	10.9
119.05032	4.7
121.02966	0.5
125.02457	0.5
129.01982	0.5
134.03752	100.0
137.02443	0.5
139.68260	0.5
143.03458	0.4
144.04549	0.7
145.02940	0.6
149.06096	6.0
155.03528	2.9
161.04576	3.8
163.04010	4.5
171.38731	0.4
173.04570	4.2
176.51759	0.4
177.04085	0.5
189.11337	0.4
191.05640	13.2
193.05090	69.3
195.28496	0.4
235.11938	9.6
317.22159	0.4
320.20047	0.4
367.10440	6.1
367.16162	12.4
367.20520	0.8
383.26740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73346	0.4
51.62136	0.4
51.87443	0.4
55.98518	0.4
57.03457	1.0
59.01390	100.0
60.99328	0.8
65.29977	0.4
67.01887	5.9
69.03461	2.0
71.01376	4.0
73.02955	2.1
75.00874	4.6
81.03481	0.8
83.05022	2.2
84.43693	0.5
85.02975	5.5
87.00878	9.4
88.23346	0.4
89.02473	1.0
93.03461	34.0
96.96006	0.6
99.00875	0.6
101.02444	0.5
103.00376	2.9
111.00877	0.9
111.04542	5.5
113.02477	0.5
117.01968	2.6
117.03457	5.5
118.98079	0.4
119.05033	52.3
121.02932	1.0
127.04014	0.8
133.02983	0.6
134.03752	24.1
135.03024	13.1
135.04541	0.6
137.02483	0.9
145.02972	17.0
145.70461	0.4
149.06108	0.8
155.03497	0.8
163.04042	50.5
173.03087	1.1
173.04579	31.4
175.04033	0.8
176.01266	0.6
177.04080	37.2
186.88367	0.5
191.05652	60.3
191.31709	0.4
193.05106	9.5
203.03543	0.9
204.00609	0.9
205.01462	0.5
219.06616	0.8
263.05637	6.8
281.06656	3.4
324.13840	0.5
341.08292	0.5
367.10373	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	367.1036
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
54.53158	0.9
59.01388	78.3
67.01893	11.1
69.03454	2.0
71.01389	6.9
73.02971	1.4
75.00890	2.1
79.66119	1.0
83.04996	1.1
85.02470	1.1
85.02931	8.2
85.54623	1.3
87.00883	12.0
89.03963	1.4
93.03461	59.6
103.00410	1.5
109.02936	1.7
111.04522	9.6
117.01964	1.6
117.03459	5.6
119.05022	30.2
127.03993	1.6
134.03743	33.5
135.02988	7.0
137.02452	1.5
145.02988	14.7
149.06108	2.7
155.03488	2.6
163.04012	35.2
167.07515	1.4
171.28508	1.2
173.04568	62.5
175.04065	1.4
177.04071	31.8
191.05638	100.0
193.05132	15.8
219.95404	1.1
263.05591	5.0
281.06754	1.5
367.10382	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23386	0.5
55.01893	2.4
59.01387	17.3
63.28013	0.4
71.01392	9.4
73.00460	0.5
73.02954	4.1
75.00877	0.5
78.38572	0.5
82.95461	1.0
83.01397	2.8
83.38255	0.5
85.02957	6.5
86.00106	0.6
86.58285	0.5
87.00881	1.1
89.02451	1.0
92.65392	0.6
93.03459	0.8
99.00929	0.7
101.02447	11.8
108.15218	0.6
111.00886	0.6
113.02458	3.2
119.05038	1.3
127.11265	0.7
132.03090	0.5
157.12361	3.6
160.79323	0.5
163.03934	0.6
171.43536	0.5
191.05634	2.8
203.12912	7.5
203.64043	0.7
225.07433	0.6
347.17038	0.8
365.18234	100.0
366.18756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82802	2.3
57.81637	1.8
59.01394	2.7
61.36028	1.9
61.99609	1.8
64.42213	1.9
68.54800	1.9
68.78380	1.9
69.16768	2.1
76.25812	2.2
90.19724	2.3
94.88307	2.8
131.02237	2.2
131.65857	2.1
199.13475	32.5
251.40816	2.2
347.25803	7.5
365.27002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2698
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
52.99377	1.0
59.01397	6.9
63.58988	1.5
74.12789	1.4
85.06641	1.8
90.66322	1.2
92.10702	1.9
97.00426	1.3
108.64529	1.4
121.66906	1.3
209.81870	1.4
210.85297	1.6
271.32620	1.3
279.19720	21.1
283.26431	3.2
347.25967	7.3
365.27045	100.0
366.27621	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	366.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98349	1.0
56.17827	1.1
59.01389	1.3
64.88350	1.3
77.03070	1.1
96.74046	1.3
110.22972	1.5
112.64542	1.5
125.02440	1.4
132.04593	1.6
136.12126	1.4
146.06123	2.3
148.07703	49.1
152.27995	1.7
155.68607	1.5
172.39786	1.4
209.69882	1.5
366.24417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74174	0.5
55.01877	4.5
57.03458	2.5
59.01386	55.3
70.58785	0.6
71.01382	17.6
73.02943	8.2
75.00868	0.7
80.91689	4.9
83.01385	7.4
85.02955	11.4
87.00887	0.9
89.02452	2.5
95.01392	1.4
95.44634	0.8
95.74655	0.7
99.00876	1.6
101.02443	17.6
111.00923	1.0
113.02453	4.8
118.06783	0.7
126.40308	0.7
139.41476	0.6
155.10788	2.8
157.12347	2.4
161.04599	2.4
171.10304	3.6
185.11830	5.9
203.12920	9.1
217.10855	5.8
305.16129	5.1
308.13773	0.7
329.16031	1.0
347.17166	19.9
363.16238	0.9
365.18222	100.0
366.18423	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	31.7
61.98840	1.0
71.01379	5.4
73.02960	1.0
73.51628	0.4
74.69758	0.5
77.03976	0.5
79.99963	0.4
83.05022	1.8
85.02964	2.5
85.06593	33.7
87.04513	0.6
87.68408	0.4
89.02444	6.5
92.10098	0.5
95.01396	0.5
95.05017	2.7
101.02424	3.3
105.03473	7.8
111.04529	11.0
111.05222	0.6
113.02452	2.4
119.03505	2.6
121.94050	0.4
123.04540	0.9
129.05586	100.0
133.02965	29.4
135.04520	2.4
143.07170	5.2
161.04582	0.6
167.03490	2.8
177.01962	9.3
179.05652	1.7
185.08241	0.6
194.84227	0.5
209.04506	0.7
236.56610	0.5
250.77272	0.5
262.81683	0.5
305.06775	0.5
305.12503	2.7
329.08865	6.9
365.18292	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74013	0.5
55.01887	5.7
56.51195	0.6
56.71310	0.5
57.03459	2.7
59.01387	75.8
60.04347	0.6
65.15401	0.6
67.01907	0.7
71.01382	21.5
71.05037	0.7
72.99339	1.0
73.02955	9.6
75.00874	0.6
80.91682	7.7
82.96601	0.7
83.01396	6.5
83.20081	0.5
85.02944	11.5
87.00900	2.8
89.02446	4.7
91.09264	0.6
95.01399	2.5
99.00892	3.2
99.08158	0.9
101.02439	21.6
111.00900	1.3
113.02470	7.2
119.03548	0.8
129.01941	0.8
155.10832	3.5
157.12332	2.6
159.02950	0.8
161.04564	3.8
171.10257	3.3
178.31761	0.6
185.10435	0.6
185.11826	5.8
197.66701	0.6
201.11215	0.9
203.12941	9.1
217.10841	7.9
305.16095	8.0
347.17166	17.5
361.69077	0.7
363.17047	1.1
365.18246	100.0
366.18759	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58196	47.6
56.74486	61.4
58.80861	53.9
59.01393	100.0
60.83520	58.5
61.98835	64.0
79.48911	55.9
79.75564	50.1
80.35610	63.4
92.84341	56.4
95.61846	60.3
96.96056	67.2
109.35559	73.1
112.17846	59.3
131.10747	60.7
136.50049	63.0
161.54474	65.7
268.58386	60.4
270.27591	79.9
301.76163	84.9
328.28876	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51031	0.1
59.44708	0.1
61.98843	100.0
64.34564	0.1
74.62970	0.1
109.75771	0.1
132.88354	0.2
146.00880	0.1
170.41841	0.2
183.13892	1.0
284.51083	0.2
301.16476	0.2
311.91974	0.2
322.02170	0.2
357.70279	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71412	0.2
54.83032	0.2
59.01389	20.8
60.01724	2.0
61.01818	1.7
61.98837	100.0
65.24422	0.2
73.05792	0.3
92.10115	0.3
92.66357	0.2
102.20852	0.3
189.96365	0.2
217.07178	0.4
218.07343	0.6
219.06926	4.5
220.07133	4.0
255.59943	0.3
287.13446	1.2
288.13489	3.0
302.16739	1.4
303.16553	5.9
304.16678	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	365.1358
Annotation	Semilepidinoside B
Peak:m/z	Relative Intensity
57.03474	0.9
59.01385	49.8
61.40031	0.7
61.98841	2.0
62.48064	0.7
63.56038	0.7
66.33868	0.7
71.01379	13.2
72.00920	11.2
73.02966	2.2
74.02471	17.1
74.99824	0.8
75.00892	1.3
75.78684	0.9
78.95918	0.9
79.02797	0.8
84.95126	1.6
85.02979	4.8
87.00863	3.1
88.04071	1.1
89.02432	6.8
92.10794	2.0
95.05031	4.3
96.96019	2.3
97.06604	1.7
97.81562	0.9
101.02451	9.2
105.03494	11.6
108.02187	8.2
113.02460	5.2
114.40079	1.1
116.05068	65.3
119.03516	3.9
123.04546	6.5
125.06083	1.1
130.06638	2.2
133.02962	61.6
135.04570	5.9
141.05605	2.2
142.06633	18.6
149.02448	1.5
152.01152	8.8
153.01996	1.4
159.09302	16.0
161.04697	2.1
167.03481	19.3
176.95227	1.0
177.01978	16.4
177.04030	3.1
177.68889	0.9
185.04524	1.2
185.07164	1.5
186.05641	2.2
191.05656	1.5
203.08290	99.9
305.12622	4.4
329.08923	1.9
365.13724	100.0
366.14487	1.3
375.81476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03460	6.7
59.01390	19.7
61.55748	0.5
64.27164	0.5
65.14799	0.5
65.39690	0.5
68.99848	0.6
69.03452	4.1
71.01385	15.4
71.26646	0.6
72.99320	3.6
73.02963	1.0
75.00874	48.3
83.01407	1.0
84.02222	0.8
85.02955	16.4
86.88608	0.7
87.00882	12.3
87.04507	0.9
89.02442	5.9
93.03506	0.8
97.02955	2.2
99.00880	6.5
101.02468	1.5
111.00878	1.0
113.02434	0.7
113.09736	4.6
115.07636	3.0
117.01945	0.9
119.05029	1.4
121.02924	2.3
124.80356	0.6
125.09757	1.2
129.01942	12.6
135.02985	1.5
135.04532	1.5
141.01953	1.2
155.10751	2.8
157.08746	0.8
159.03003	3.4
163.04025	2.4
167.10881	0.6
171.10287	0.7
177.04059	66.3
179.03400	0.8
182.05383	0.6
185.11842	86.8
194.41002	0.6
199.13510	4.2
217.10992	0.7
227.12910	0.8
327.14890	0.9
363.16684	100.0
364.17374	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05352	0.4
54.94550	0.4
55.23082	0.4
59.01389	100.0
64.43439	0.4
71.01386	3.2
72.79044	0.4
75.00888	2.0
76.22163	0.4
78.30660	0.5
83.95942	0.4
85.02943	0.8
85.54823	0.5
87.00914	0.7
87.42722	0.5
89.02449	3.2
93.03429	0.6
96.96013	0.6
101.02448	2.5
113.02440	0.8
119.03473	0.5
119.05015	6.1
120.05405	0.8
135.03009	3.1
135.04520	0.5
139.11296	0.6
145.02977	0.7
155.10799	2.0
157.06590	0.6
163.04028	3.9
177.04053	1.1
183.10251	0.9
189.09581	0.6
199.09750	0.7
215.97519	0.6
231.54819	0.5
237.08994	0.6
257.69040	0.6
363.16693	10.3
363.23749	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	363.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93375	0.5
59.01390	16.4
59.01692	0.6
61.98837	5.3
62.44287	0.6
63.89874	0.6
71.01402	3.0
72.74816	0.6
73.52494	0.6
78.95904	100.0
82.95442	2.5
85.02965	1.0
88.71902	0.6
89.02469	1.5
93.03455	0.7
96.96056	6.4
96.96958	43.6
97.06605	0.9
101.02472	2.7
113.02480	1.1
119.05028	6.5
138.98056	10.4
139.04056	0.8
139.07704	0.7
141.05632	0.9
162.98038	1.1
163.04065	4.2
180.99059	1.2
185.23528	0.6
193.56039	0.6
198.01315	0.8
205.25160	0.6
223.00226	3.5
241.01213	33.0
242.67982	0.6
303.10886	1.0
358.48788	0.8
363.04556	5.1
363.12872	2.2
363.16846	1.2
374.96753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	26.2
61.98838	100.0
71.01390	4.3
72.99338	0.4
73.02958	2.1
75.00880	1.0
78.95912	2.0
80.96558	0.3
83.01394	0.2
84.29576	0.2
85.02978	1.3
89.02458	4.1
93.03451	0.3
93.09975	0.2
96.96024	0.4
97.06596	1.3
99.00877	0.5
101.02451	2.0
110.03797	0.2
113.02460	1.3
115.17594	0.3
118.29745	0.2
119.03507	1.4
119.05033	8.9
121.02993	0.3
135.03023	0.4
135.04524	1.0
138.02016	0.4
139.02307	0.4
141.05597	0.5
141.09213	0.3
145.02950	0.4
147.04567	0.4
150.03313	0.2
153.09203	0.4
153.20087	0.2
161.04572	0.3
163.04027	7.2
165.05577	1.8
179.05644	0.4
183.10324	0.5
215.09352	1.8
247.07184	0.2
293.84067	0.3
325.09299	0.3
327.10828	0.4
334.19519	0.3
363.08929	0.7
363.12857	1.4
363.16745	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	362.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90496	1.6
54.35812	1.8
54.83095	1.6
57.03470	13.1
59.01394	66.5
61.98841	69.3
68.99845	2.0
71.01395	37.8
72.99307	2.7
73.02943	2.7
75.00880	32.2
80.96527	2.0
83.01408	3.3
84.04556	3.1
85.02974	23.1
87.00890	20.5
89.02467	12.2
92.10035	3.4
93.03455	14.7
96.96017	2.5
99.00896	11.5
101.02448	5.0
110.02502	2.4
112.04064	50.2
113.02445	2.6
121.02935	2.7
122.06087	3.4
124.04045	49.1
129.01935	22.7
137.02438	29.0
140.07195	14.1
159.03020	3.5
164.03574	9.6
166.05099	23.0
177.04070	100.0
184.06181	76.0
195.05099	13.3
195.96678	2.2
324.13986	2.8
362.11057	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13063	0.5
55.01938	0.5
59.01391	100.0
61.98871	0.8
64.03258	0.5
81.13576	0.4
88.07550	0.5
91.72675	0.5
92.22288	0.5
140.07191	76.3
190.53729	0.6
302.12540	1.1
312.06747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16645	0.3
57.03410	0.4
58.94881	0.4
59.01385	9.6
61.98834	20.4
63.65795	0.3
67.17135	0.3
71.01385	2.2
73.02953	0.7
75.00877	0.5
78.95905	100.0
83.38548	0.4
85.02933	1.6
89.02438	2.1
92.65984	0.4
93.03457	0.8
96.96961	13.4
99.04534	0.8
101.02419	0.9
119.03545	0.6
119.05019	0.6
121.02922	0.7
137.02419	2.0
138.02760	0.5
138.98003	4.3
141.05522	0.8
155.70905	0.4
161.04562	0.6
179.05634	0.4
215.09286	0.4
345.03781	5.3
363.04950	7.9
363.16757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	18.3
92.10757	1.5
92.64326	0.9
110.19401	0.9
117.84277	1.1
155.90474	1.0
167.38396	0.9
212.22101	1.0
250.41283	1.0
279.23337	100.0
361.23672	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	361.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92337	0.9
59.01384	100.0
64.77100	0.8
79.00410	0.9
83.20899	1.0
103.09636	0.9
145.04616	0.9
159.95056	0.9
195.63248	1.0
203.11391	1.1
236.62262	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.3
59.04288	0.2
59.39075	0.2
61.98845	100.0
87.91456	0.2
89.53165	0.2
89.98653	0.2
92.10799	0.7
93.03460	3.6
98.28056	0.2
101.13927	0.2
110.05359	0.2
128.84068	0.3
133.04655	0.2
137.02444	5.7
170.39711	0.3
180.01869	0.2
197.45802	0.3
330.71323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79733	0.5
52.16861	0.4
52.66267	0.4
55.30221	0.4
57.30247	0.4
58.66333	0.5
59.01389	8.9
59.97269	0.5
61.98844	100.0
62.35056	0.4
65.58938	0.4
71.01396	1.2
76.20310	0.5
78.95930	2.4
85.02953	0.9
89.02431	0.8
91.01940	0.7
91.33639	0.5
96.96968	0.8
101.02446	1.1
105.48554	0.5
112.71095	0.5
119.05043	3.2
120.05373	1.2
124.01654	1.1
125.02022	0.8
130.06635	1.1
131.06967	2.1
131.68642	0.5
137.02448	28.5
139.04012	2.9
140.04369	2.1
163.04059	1.2
164.04430	0.8
191.05693	0.9
299.07642	2.7
302.05450	3.0
335.13547	2.0
362.07129	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.151
Annotation	Gibboside
Peak:m/z	Relative Intensity
51.02059	0.4
51.86940	0.4
52.69283	0.3
54.53907	0.3
56.99412	0.4
59.01390	5.1
69.03510	0.5
69.52533	0.4
71.01404	2.4
73.02955	3.2
74.48345	0.5
75.00899	0.6
80.15913	0.4
83.05030	0.5
85.02974	1.8
87.00937	0.6
87.04531	2.7
89.02425	0.6
93.03459	0.4
94.74413	0.5
101.02455	0.9
113.02463	0.9
115.00433	0.6
121.02991	0.8
121.39565	0.5
135.04588	0.8
135.08188	2.8
137.09729	11.5
139.11397	0.6
153.09236	2.2
155.10797	100.0
156.11139	0.7
161.02394	0.8
169.12306	0.8
177.04054	1.7
181.08788	2.1
183.10332	0.6
191.05624	0.8
199.09795	54.4
213.11386	0.9
241.10808	4.9
276.63184	0.5
301.12985	1.1
361.14929	3.5
361.22403	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
59.04679	35.4
61.98843	65.3
92.10759	76.3
108.71413	40.3
132.39679	40.8
135.08171	89.4
171.10283	94.9
231.41774	43.3
280.01105	50.1
289.88644	49.4
350.57150	43.7
377.81976	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72139	0.6
52.70807	0.6
53.68203	0.6
55.01900	0.8
57.03461	12.7
59.01388	17.9
60.34296	0.6
68.99832	0.8
69.03463	6.9
71.01386	15.0
71.05049	1.0
72.99323	4.0
75.00874	48.7
83.01379	1.4
84.02187	1.0
85.02960	16.6
87.00883	12.5
89.02461	4.8
93.03488	1.0
94.31790	0.7
97.02945	0.8
99.00902	6.8
99.93824	0.8
101.02446	3.3
111.00918	1.2
111.08196	1.3
111.87379	0.7
129.01967	13.8
139.11276	8.0
149.01332	0.8
159.02983	1.8
177.04070	66.7
183.10283	27.2
195.05128	0.9
218.28011	0.9
243.12520	0.9
361.15134	100.0
362.15686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	5.1
59.37326	0.3
59.50237	0.3
60.60832	0.3
60.99002	0.3
67.40174	0.3
68.57592	0.3
71.01409	0.4
72.97557	2.5
76.83826	0.5
78.95909	32.2
79.95766	1.7
80.35352	0.4
81.46592	0.3
85.02966	0.4
85.73806	0.3
94.02978	0.6
95.01356	0.4
96.96029	100.0
96.96977	59.7
101.02474	0.4
103.44825	0.4
123.00886	12.5
124.01682	1.5
134.72087	0.3
138.02126	0.8
138.03230	8.9
139.02341	0.8
139.04042	2.6
143.01070	0.3
160.50600	0.3
161.04568	2.0
209.04631	0.3
222.00107	0.3
224.04105	0.3
301.09326	3.3
309.72269	0.4
370.42407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63242	0.5
56.23345	0.5
59.01387	35.6
61.26139	0.6
61.98828	0.9
68.53236	0.5
71.01379	8.3
73.02963	1.1
74.78964	0.6
75.72434	0.6
78.95919	1.4
83.01415	0.8
84.99087	0.6
85.02973	4.0
87.19199	0.7
89.02441	1.2
93.03469	2.5
95.01395	3.6
96.96021	5.9
96.96953	5.1
99.00888	0.8
101.02411	4.5
104.27573	0.6
109.02955	0.9
109.63775	0.5
113.02457	4.1
121.02952	3.4
123.00888	100.0
124.01668	10.9
133.52454	0.7
136.01724	0.8
137.02451	4.6
138.03236	69.6
139.03001	1.2
139.04022	16.9
149.02437	1.1
151.04015	1.3
160.79236	0.7
161.04561	12.7
166.02663	2.4
178.02670	1.0
181.05077	5.1
182.99442	1.0
193.05081	1.4
200.61023	0.8
209.90916	0.6
216.00215	0.7
233.69455	0.7
301.09341	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	359.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89362	0.8
59.01390	21.2
73.61125	0.8
76.19263	1.0
78.19912	0.9
85.58089	0.9
119.95270	0.9
156.77966	1.2
277.21747	100.0
359.22104	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	360.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74316	0.2
55.73443	0.2
59.01385	5.7
64.35147	0.2
64.51073	0.2
76.70414	0.2
92.10090	1.0
108.02180	8.7
117.15809	0.2
138.01979	100.0
139.02339	0.5
146.96545	0.2
148.61322	0.2
150.45593	0.2
151.02754	0.5
152.14651	0.2
160.04076	0.3
173.89716	0.3
190.72374	0.2
194.33809	0.2
219.69495	0.3
219.71677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	0.4
59.01389	13.5
69.03436	0.3
71.01389	7.3
72.99330	1.4
73.02967	0.4
75.00886	0.3
83.01387	0.5
85.02962	2.6
87.00894	0.5
88.98826	0.7
89.02446	3.0
93.03445	0.5
99.45316	0.3
101.02450	2.3
113.02481	1.6
117.03481	18.6
119.03553	0.6
119.05045	7.6
121.06516	0.3
135.73170	0.3
138.05638	1.4
139.05942	1.4
139.07651	0.4
141.09239	0.4
141.16922	0.4
145.02979	100.0
146.03329	0.5
159.04553	0.6
161.06143	1.4
163.04030	9.0
181.08691	0.7
187.04042	2.2
191.05679	0.7
205.05110	1.4
265.07339	0.7
301.11182	0.8
325.09351	25.3
329.12451	4.0
359.87411	0.5
361.15100	4.4
380.05029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07869	0.6
59.01389	90.8
61.98843	3.8
68.39324	0.7
71.01373	7.5
72.99314	0.7
73.02972	1.4
73.56947	0.6
73.80787	0.6
82.35945	0.7
85.02969	2.8
89.02451	7.9
89.71145	0.7
92.10045	1.2
95.01353	0.9
101.02469	5.9
107.05044	36.7
108.02179	5.5
113.02463	3.3
119.03592	5.1
119.05032	38.9
128.38464	0.8
135.04498	0.9
137.06094	100.0
138.01981	43.4
138.03070	1.0
140.93481	0.8
161.04607	3.0
191.05605	1.7
220.25822	0.8
299.11453	8.9
382.26898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	95.9
60.24183	0.7
63.99202	0.7
65.97324	0.6
68.12000	0.7
70.11063	0.7
71.01384	8.7
72.99329	0.8
73.02950	1.7
83.01393	1.0
85.02976	4.9
89.02456	3.2
91.01905	25.2
93.03468	3.2
95.01402	4.5
99.00916	0.8
99.69265	0.7
101.02455	5.1
101.06946	0.7
106.04266	0.8
109.02937	1.3
113.02457	3.6
119.05019	3.4
121.77351	0.7
123.00893	75.7
130.27167	0.7
135.00899	11.9
136.05276	1.2
137.02467	8.4
137.06091	56.6
138.03233	91.5
153.01932	9.4
153.05582	23.8
161.04584	7.6
166.99872	19.8
178.99873	30.8
182.02220	59.3
194.03731	0.8
197.00900	4.9
197.04581	100.0
198.34592	0.7
202.38779	0.7
214.44791	0.7
339.23831	0.8
341.05215	1.8
359.06189	23.5
359.09848	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	359.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32905	0.8
56.72320	0.9
58.00594	1.3
59.01386	100.0
62.68069	0.8
64.93139	0.8
71.01384	24.1
72.99329	1.2
73.02937	1.5
81.19962	0.8
83.01399	1.7
85.02959	8.6
87.00910	1.2
87.07143	1.0
89.02447	34.0
92.10133	0.9
95.01407	1.7
95.56779	0.9
96.18858	0.8
101.02445	18.5
113.02454	8.9
119.03520	15.7
119.05025	18.6
121.02972	1.5
137.06075	1.7
143.03593	1.2
153.05470	1.4
161.04527	1.6
179.05612	5.6
182.05769	1.3
197.04704	1.1
197.08171	1.9
226.41702	1.0
299.11411	21.3
359.06091	1.5
359.09946	1.3
359.13864	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82768	1.3
55.01895	2.7
57.03443	1.7
59.01388	100.0
60.60802	1.0
61.05458	1.1
61.98843	28.4
71.01391	19.2
72.97523	1.2
73.02949	12.0
83.01400	3.1
85.02955	15.2
87.00870	3.2
89.02468	3.1
93.03458	7.4
95.01380	1.8
95.66889	1.3
99.00897	2.5
101.02452	21.3
101.03827	1.4
109.02955	2.8
113.02448	7.4
116.28046	1.3
119.05071	1.9
121.02924	10.6
123.04530	1.4
125.02451	5.9
137.06030	2.3
159.03036	1.6
160.96764	1.3
161.04573	15.5
161.07199	2.6
178.99805	1.6
191.05641	11.9
197.04567	7.2
203.08397	10.5
239.05568	2.9
242.05852	1.5
253.09146	1.3
299.11380	15.4
359.09869	1.6
378.80200	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91111	0.6
59.01395	18.4
65.03972	1.1
71.01399	5.3
72.39731	0.6
83.53992	0.6
85.02948	1.3
85.22104	0.6
89.02464	5.0
90.19515	0.7
91.01902	82.2
101.02449	3.6
109.02969	5.7
113.02449	1.4
119.03474	1.3
135.00893	37.9
137.02475	0.7
149.02432	1.3
153.01956	23.3
168.29797	0.7
178.99878	100.0
195.02855	0.7
197.00940	12.3
341.05154	4.6
359.06274	69.6
360.06384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0989
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
51.84861	0.7
51.94306	0.7
52.87648	0.7
54.83335	0.8
59.01395	9.3
66.25799	0.8
67.01917	0.7
71.01398	5.5
77.44776	0.6
85.02957	1.1
89.02434	1.2
91.01894	36.3
92.10744	1.5
95.01371	5.8
109.02960	3.4
113.02526	0.9
123.00892	82.8
135.00897	13.9
136.05293	1.7
137.02461	3.7
138.03238	96.0
150.71701	0.8
153.01938	9.6
153.04457	1.1
153.05592	23.8
166.99893	22.1
178.99892	38.7
182.02242	63.7
197.00861	3.9
197.04590	100.0
341.05273	1.8
359.06204	31.4
359.09958	3.5
381.35614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
58.00613	1.0
59.01389	100.0
60.96214	0.7
61.98845	0.8
71.01382	27.3
71.81461	0.6
73.02972	0.9
75.72227	0.7
76.57519	0.8
83.01396	1.0
83.29523	0.7
85.02973	7.8
86.46448	0.7
89.02449	35.4
91.01901	1.7
95.01394	3.3
101.02451	17.7
113.02467	14.7
119.03525	15.4
119.05029	20.1
121.02955	4.5
122.03249	1.2
123.03328	0.7
135.00894	1.3
136.05304	1.4
137.02455	1.3
137.06142	1.7
138.05634	11.3
143.03503	0.7
149.04578	1.0
161.04518	3.1
178.99887	1.9
179.05626	4.8
182.05797	1.0
191.05580	1.1
197.01158	1.0
197.04581	1.1
197.08197	3.4
215.33510	0.8
285.35944	0.9
299.11450	21.7
300.10944	3.1
359.06073	1.6
359.09921	1.4
359.13721	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	358.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
64.44099	1.1
77.27825	1.2
78.44351	1.1
82.76154	1.3
87.08170	1.4
109.30237	1.4
247.19682	1.4
259.42258	1.3
332.65100	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20772	80.0
57.56519	85.0
59.57800	80.9
66.81615	85.4
124.45027	94.9
134.41211	92.5
139.17027	86.1
139.18246	84.5
153.39479	83.5
275.51755	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	359.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52845	0.2
59.01397	16.0
66.42034	0.2
71.00383	0.2
73.02969	0.5
78.95925	0.4
89.96226	0.2
114.98907	0.4
117.44175	0.2
123.44695	0.2
132.98219	0.2
136.93990	3.3
154.90620	0.4
156.99937	0.9
174.99257	4.0
176.91901	0.2
178.95055	1.1
194.93076	1.1
198.90567	0.3
201.02600	4.0
215.04204	0.5
217.00343	11.3
217.03650	0.3
225.90446	0.5
226.40388	0.4
233.48546	0.2
247.87178	9.4
248.37230	5.2
248.87039	1.5
256.87714	13.3
257.88507	4.2
262.46249	0.2
271.86377	3.1
272.90948	2.5
274.88785	100.0
275.88885	3.6
276.88965	0.3
287.85016	8.8
288.35095	4.6
288.84930	1.2
289.87506	31.2
290.87457	1.3
298.85336	0.3
298.88742	8.6
298.91928	0.4
299.00790	0.3
299.88815	0.2
316.89835	76.3
317.89975	2.2
358.90930	0.3
358.97775	0.4
359.01599	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.0
57.03458	2.0
58.00599	2.4
58.29248	0.2
59.01385	100.0
60.01722	1.2
60.99340	0.4
61.01811	1.3
61.98533	0.6
61.98834	8.7
68.99585	1.4
69.03459	0.5
71.01382	58.3
72.01733	0.5
72.99313	3.2
73.01825	0.4
73.02948	6.3
75.00887	0.3
81.03472	0.6
83.01383	4.2
85.02953	18.8
86.03307	1.3
87.00879	3.3
87.03406	0.4
87.04548	0.3
88.98808	1.1
89.02443	72.6
90.02777	0.7
91.02840	1.1
95.01402	3.3
97.02974	0.5
99.00887	2.0
99.04539	0.6
101.02441	36.3
103.04012	1.3
108.02185	0.4
112.98617	1.6
113.02455	24.3
113.13163	0.3
115.04008	0.5
117.05602	1.0
119.03496	24.3
121.03046	0.5
121.03959	0.3
122.35889	0.3
123.04504	0.3
125.02451	0.6
131.03482	2.8
133.05038	3.0
135.06644	18.9
143.03516	4.0
149.04517	1.4
159.03004	0.4
161.04565	9.8
165.04111	0.4
175.68959	0.3
179.05621	16.1
179.63499	0.3
290.08975	0.3
297.11942	93.9
298.12381	0.4
359.59293	0.3
377.18488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	100.0
61.98846	5.3
99.04506	4.1
121.02959	27.7
337.60803	4.0
339.72937	4.8
357.06067	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	357.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19194	0.7
53.92526	0.7
54.75932	0.5
59.01387	100.0
61.59785	0.6
61.98844	1.5
63.41555	0.6
66.72829	0.6
79.46339	0.8
116.84197	0.7
118.34808	0.7
121.02978	8.3
158.94447	0.7
178.62857	0.8
223.13435	1.5
235.18503	0.8
357.06256	1.5
357.55142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.265
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
51.99912	1.9
57.03465	2.0
59.01395	4.3
59.08068	1.7
61.98844	4.3
121.02949	12.7
137.51610	1.9
139.11281	2.4
140.78108	1.9
159.06558	1.8
162.69237	2.1
188.27003	1.9
234.63594	1.9
280.14969	2.0
311.22446	3.4
327.25388	3.7
357.26563	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	357.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	23.6
67.41782	0.2
71.01382	0.3
72.82101	0.3
93.03466	4.2
96.96056	0.4
108.02196	2.2
109.02970	1.3
132.38264	0.3
133.46524	0.3
135.04535	100.0
136.04918	0.4
137.02470	0.5
150.06853	2.0
152.01131	0.5
153.02005	0.5
169.56894	0.3
197.81953	0.3
209.04645	0.3
266.05148	0.3
357.08344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	24.8
60.24426	0.3
61.98826	0.4
75.44630	0.3
87.83271	0.3
92.10080	0.6
93.03458	4.5
108.02206	2.4
109.02964	2.0
131.13272	0.4
135.04535	100.0
136.04872	0.5
137.02432	0.4
138.17744	0.3
152.01184	0.7
153.01920	1.6
357.08249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1197
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
58.00618	1.3
58.36507	1.4
59.01387	66.2
65.27920	1.2
65.47585	1.4
71.01382	24.9
76.57793	1.3
79.18449	1.5
81.56642	1.2
83.01402	1.4
85.02968	8.6
87.60860	1.5
89.02454	19.4
91.01909	12.9
101.02439	13.5
108.02178	2.8
109.02960	8.3
113.02442	3.4
119.03507	7.2
129.01906	1.8
135.00890	7.4
135.04515	10.3
136.05380	2.0
153.01927	8.8
158.44591	1.5
161.02374	1.8
162.03241	100.0
163.03954	3.7
172.73482	1.5
177.04153	5.4
177.05573	93.5
178.99875	22.1
195.06638	21.5
197.00963	8.2
257.79584	2.1
281.81360	1.6
357.04684	13.6
357.08383	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	356.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
61.98835	100.0
64.34557	0.3
64.84135	0.3
89.85408	0.3
90.56110	0.3
95.20063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45474	0.2
56.63542	0.2
59.01389	0.5
61.98835	100.0
72.05029	0.3
74.96166	0.3
95.32113	0.3
110.79749	0.3
128.05412	0.3
131.83054	0.3
138.17628	0.3
139.32393	0.3
142.64433	0.3
348.68112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28030	0.7
52.20883	0.8
55.81900	0.7
59.01366	1.0
61.98837	100.0
64.35351	0.9
70.86681	0.9
71.36935	0.9
77.80993	0.9
92.66811	0.9
96.60385	1.1
108.78731	0.9
123.66999	0.9
241.71979	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85386	1.2
53.15868	1.5
55.50227	1.4
56.79047	1.2
57.03465	9.8
59.01390	75.6
59.09534	1.3
60.51483	1.3
64.86971	1.5
71.01385	33.7
72.99316	6.5
73.02963	2.4
74.99462	1.4
75.00873	24.0
76.10716	1.7
76.75137	1.4
78.95926	6.8
85.02956	48.2
85.03462	2.2
87.00879	85.9
89.02445	34.7
92.52348	1.4
95.01418	1.7
96.96958	6.5
97.02951	1.5
99.00904	8.0
101.02438	24.6
105.01942	34.4
113.02444	11.9
119.03521	9.4
126.98947	1.9
129.01918	21.1
147.03041	3.7
152.92795	1.7
158.64784	1.5
159.03000	6.6
159.20615	1.4
164.20320	1.5
165.04048	92.2
168.99982	1.8
177.04077	8.9
178.47609	1.6
181.07089	1.5
191.05615	3.3
206.95554	11.7
245.10135	1.9
259.02579	1.8
296.99582	3.9
357.10464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3225
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
51.64794	0.4
52.33176	0.4
60.71058	0.4
60.82448	0.5
61.98843	0.5
68.41418	0.5
108.01978	0.5
153.04384	0.5
164.30949	0.5
282.28494	0.5
309.31711	3.7
337.31192	0.8
355.32242	100.0
356.32550	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	356.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54617	0.4
51.92804	0.5
59.01394	8.2
61.98837	100.0
63.76379	0.4
71.01398	2.2
85.06617	1.3
89.02435	2.3
101.02431	1.0
107.63948	0.5
113.02454	1.0
131.07133	7.0
133.89256	0.6
134.02490	13.5
161.22809	0.5
162.25764	0.6
171.92731	0.6
183.30176	0.5
191.03557	0.8
191.05489	0.9
191.98445	0.6
192.05949	0.9
193.06102	2.0
194.06406	1.1
201.63747	0.5
241.39891	0.6
252.19368	0.7
293.12463	13.5
301.75839	0.5
356.10681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87809	0.2
61.98837	100.0
64.98271	0.2
66.31673	0.2
67.01440	0.2
82.37943	0.2
89.39249	0.2
90.44833	0.2
92.10867	0.3
97.04955	0.2
180.01447	0.2
200.39569	0.2
220.14693	0.4
221.15504	1.1
234.71887	0.2
236.10568	0.8
352.31937	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73698	0.2
54.82966	0.2
59.01381	0.3
60.44489	0.2
61.98842	100.0
76.57789	0.2
78.65672	0.2
90.02486	0.2
100.38911	0.2
107.16055	0.2
141.90298	0.2
187.28191	0.2
188.82686	0.2
200.26971	0.2
200.72710	0.2
203.94379	0.2
208.87730	0.3
229.32948	0.2
265.08643	0.2
373.08182	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2287
Annotation	Dshamirone
Peak:m/z	Relative Intensity
59.01400	2.3
61.98850	1.4
70.72268	1.4
101.38377	1.5
110.60300	1.4
114.68119	1.6
133.03192	1.5
133.10216	6.2
150.22374	1.5
163.11298	100.0
179.10794	89.2
179.12408	2.9
211.43939	1.8
251.42661	1.6
311.25952	6.6
337.21747	3.0
355.22891	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2857
Annotation	2-Oleoylglycerol
Peak:m/z	Relative Intensity
54.82893	1.1
55.98940	1.2
59.01389	100.0
73.25416	1.3
114.43340	1.5
141.39192	1.6
200.07463	1.8
273.02823	1.5
295.26498	2.4
317.94522	1.4
335.75912	1.7
355.28613	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2861
Annotation	2-Oleoylglycerol
Peak:m/z	Relative Intensity
50.03246	1.0
52.71819	1.2
54.48739	0.9
55.67839	0.8
66.02304	0.9
70.87354	1.0
78.32233	0.9
92.10269	1.1
113.02469	1.0
156.99706	0.9
258.84708	1.3
293.28552	90.4
294.28888	1.5
311.29608	1.5
328.30362	1.0
337.27563	22.3
355.28622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3223
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
54.64468	0.6
59.01382	1.8
61.98842	0.8
64.09753	0.7
66.35001	0.7
80.78969	0.7
92.35650	0.7
99.10791	0.7
99.92593	1.6
101.59291	0.7
116.92872	1.5
129.79057	0.7
161.76512	0.8
208.53616	0.8
253.38002	0.9
293.28769	0.7
309.31964	1.0
337.30890	1.2
355.32260	100.0
356.32596	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2283
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
64.53595	1.3
70.75447	1.4
72.14478	1.1
85.91384	1.0
87.10938	1.0
92.10749	1.3
114.39567	1.3
122.03742	13.1
129.28467	1.1
135.04541	24.0
145.05447	1.5
147.08182	5.3
149.09738	12.7
161.09731	14.1
163.07643	2.4
163.11305	66.3
164.08447	21.2
165.09224	5.1
176.67204	1.3
177.09221	100.0
178.10008	20.7
179.10788	71.7
187.11299	1.9
191.10789	10.4
193.08725	4.8
280.14767	2.7
298.15790	37.7
298.19064	2.1
300.49371	1.5
307.17194	2.0
313.21793	1.4
337.21802	64.3
340.20483	91.0
355.22852	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50123	0.5
55.01900	2.8
57.03466	3.0
58.00594	0.9
59.01387	100.0
60.99318	0.5
61.98837	1.3
63.23787	0.5
63.93676	0.5
67.95444	0.5
70.31171	0.7
71.01383	29.3
72.99313	5.6
73.02950	8.7
75.00894	3.1
83.01369	5.1
85.02958	19.2
87.00900	3.7
87.04553	1.0
89.02445	16.8
93.03459	4.8
95.01396	1.5
96.96018	1.6
97.02944	1.2
99.00907	2.9
99.04513	0.8
101.02443	24.4
101.06081	1.1
103.00382	2.6
103.04026	4.1
109.02993	1.1
111.00883	1.4
111.04546	1.3
113.02451	13.1
115.00391	1.3
119.03532	8.1
119.05019	2.7
121.02958	40.2
125.02459	0.7
129.01845	0.8
133.01422	1.1
133.08727	4.1
135.04536	1.4
143.03520	1.5
159.02977	1.2
160.93295	0.7
161.02438	1.0
161.04601	14.2
173.04668	5.7
179.05675	0.9
181.05098	15.1
191.05669	21.8
192.05994	14.9
193.06102	25.1
207.68825	0.7
295.14029	52.8
347.29532	0.7
355.10431	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	355.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.8
57.03471	1.7
58.00631	0.8
59.01394	100.0
61.98856	3.2
69.03490	3.5
71.01391	51.4
71.01781	1.7
72.99339	1.3
73.02961	5.2
83.01416	2.1
85.02959	51.3
87.00886	4.5
89.02448	49.0
90.45822	1.0
95.01402	3.3
97.02953	3.7
101.02445	23.5
112.98881	1.0
113.02457	19.6
115.04023	5.6
115.18941	0.9
116.90964	0.9
119.03496	16.7
131.03520	3.4
134.16806	1.1
143.03500	1.5
153.11893	0.9
161.04526	9.2
175.06319	0.9
179.05634	17.0
221.06703	1.8
235.08235	6.7
316.35071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74158	1.1
59.01388	100.0
66.36852	1.1
67.73773	1.2
71.01367	12.0
73.02950	2.0
85.02974	5.0
88.84126	1.2
90.70256	1.1
92.10112	3.3
101.02457	5.5
113.02416	2.2
115.39066	1.1
121.02982	2.7
133.06619	28.7
140.43059	1.5
141.37505	1.4
152.70830	1.3
161.04550	8.7
161.50391	1.3
164.16534	1.1
179.10794	1.4
187.86168	1.3
233.45825	1.2
244.24689	1.6
280.81070	1.2
288.68875	1.3
296.47067	1.3
316.92194	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69902	0.4
55.01883	0.4
55.76877	0.4
56.25780	0.4
57.03465	0.6
59.01389	100.0
59.15971	0.5
60.80683	0.4
65.63976	0.4
71.01386	7.5
73.02960	2.0
83.01375	1.1
85.02959	4.9
93.03463	0.6
95.01391	0.6
101.02406	3.4
113.01699	0.5
113.02458	4.2
121.03011	0.7
133.06607	29.5
137.02463	0.8
159.03004	1.0
161.04587	10.9
169.62984	0.6
193.26292	0.5
204.61980	0.5
299.05594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36337	0.5
54.83344	0.8
57.03445	1.0
57.20054	0.6
59.01389	12.5
60.34263	0.6
60.99330	1.6
61.98848	2.6
67.01896	8.1
69.03493	1.2
71.01384	5.7
78.70771	0.7
81.03466	1.0
83.05066	1.0
85.02955	11.1
86.03323	0.6
87.00880	10.9
88.98837	1.3
89.02477	1.2
93.03463	47.6
99.00881	0.8
101.02454	0.6
109.02957	0.9
111.04548	8.8
111.70309	0.6
119.05029	2.9
121.02968	42.7
127.04027	3.6
128.04440	0.7
129.01891	0.9
131.44803	0.7
137.02435	0.7
141.87086	0.6
155.03497	3.2
163.04037	0.7
173.04575	34.5
181.05116	6.4
184.17749	0.7
190.02945	0.7
191.05649	100.0
192.05983	13.9
193.04332	0.8
193.06107	20.7
233.06673	1.4
241.46547	0.6
295.14102	2.7
337.09341	3.9
355.10428	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	355.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29501	1.5
55.01893	3.0
57.03460	9.6
58.48034	1.5
59.01390	100.0
66.50503	1.4
67.01907	3.9
69.03488	4.2
69.32957	1.5
71.01396	62.1
72.99325	3.3
73.02946	25.2
75.00906	1.8
79.73408	1.6
81.03452	2.5
83.01395	6.9
83.05037	3.0
85.02967	45.0
85.06615	1.6
87.00866	13.5
89.02454	49.1
93.03463	50.4
97.02952	2.4
99.00873	18.3
99.04524	3.2
101.02435	27.3
107.66628	1.7
108.68948	1.8
111.00883	4.3
111.04519	16.8
112.98823	65.1
113.02481	16.5
115.00374	2.1
115.04019	2.6
117.01917	2.2
119.03517	14.7
119.04989	3.6
121.02956	54.0
129.01971	7.3
131.03514	3.9
137.02417	6.9
142.99899	4.4
143.03632	2.1
145.01389	2.4
149.04570	14.1
155.03510	10.0
161.04573	6.9
163.06111	10.4
173.00908	10.4
173.04558	65.3
176.09134	2.1
179.05606	11.7
181.05298	17.7
181.07181	55.9
191.05673	54.5
221.06653	2.0
355.10364	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	355.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70528	0.5
54.50619	0.5
55.01880	0.9
59.01390	9.0
66.42545	0.5
71.01382	9.0
73.02966	1.1
83.01426	0.7
85.02964	4.3
87.00901	1.1
89.02446	37.4
92.10777	0.8
93.03471	0.7
101.02459	1.2
113.02428	0.6
121.02958	100.0
131.03453	0.7
135.04529	32.1
163.03928	0.8
177.04056	0.6
180.60463	0.5
185.21756	0.7
233.06691	1.1
297.39352	0.6
355.10419	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40490	0.6
53.81085	0.7
59.01389	11.5
59.01672	1.2
71.01373	9.3
73.02970	1.6
79.89638	0.7
85.02979	3.3
87.00917	1.5
89.02444	33.5
95.08404	1.0
96.38571	0.8
96.96037	1.2
101.02466	1.3
102.98447	0.8
106.61617	0.8
113.02439	1.3
115.00365	1.0
121.02957	100.0
135.04529	29.2
135.05518	1.6
162.04842	0.9
163.04024	3.1
206.29820	1.0
267.06622	0.9
279.95538	0.9
299.09125	0.9
355.10428	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16386	1.1
50.26558	1.1
57.32540	1.1
58.37815	1.0
59.01389	18.0
64.05034	1.1
64.34786	1.3
71.01382	7.5
71.19868	1.3
83.01408	1.3
85.02964	2.1
89.02452	5.4
92.10133	2.0
101.02425	2.0
112.66944	1.3
121.02989	14.1
128.78712	1.3
132.02200	20.4
134.03719	9.7
135.03008	1.8
160.01674	100.0
175.04019	99.4
193.05040	15.9
202.02791	2.2
217.05014	2.0
218.91338	1.8
235.06017	1.3
341.68521	1.6
353.61432	1.6
355.10287	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	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82683	0.4
57.03458	0.6
59.01386	20.1
61.98821	0.4
64.77150	0.4
67.01888	0.4
71.01388	5.2
72.99317	0.9
73.02953	1.8
77.71977	0.5
83.01392	0.6
83.05027	0.5
85.02941	5.8
87.00876	2.4
89.02457	2.4
93.03463	9.8
99.00901	0.6
101.02455	4.5
107.90884	0.4
109.02968	0.7
111.00903	0.5
111.03280	0.4
111.04551	3.6
113.02440	1.9
119.03518	0.9
119.05016	6.2
121.02954	100.0
127.03973	0.8
129.29893	0.4
135.04555	0.5
136.84538	0.4
137.02513	0.5
149.06070	0.8
149.88885	0.4
155.03511	3.2
161.04568	2.6
161.07230	0.6
163.03992	0.9
173.04553	10.5
175.02539	0.6
181.05086	39.6
189.78279	0.4
191.05635	22.4
191.07359	1.0
191.61563	0.5
192.05974	7.8
193.06068	15.0
282.65381	0.5
295.14029	7.1
308.68246	0.5
355.06656	0.6
355.10440	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	355.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	22.4
62.26221	0.7
68.83727	0.6
71.01391	10.8
73.22601	0.7
73.96592	0.6
75.00880	1.7
80.10077	0.6
85.02979	1.1
87.00895	0.9
88.87046	0.6
89.02445	5.7
101.02435	3.2
113.02449	1.2
115.00359	1.2
119.03520	1.4
121.02926	6.0
121.60068	0.8
129.70522	0.8
132.02187	23.4
133.02965	3.1
134.03746	32.1
135.02986	4.4
135.04485	0.8
147.04539	1.7
148.05217	0.9
149.06067	4.8
160.01672	100.0
175.04016	92.9
176.04784	9.5
177.01826	1.1
178.02742	4.0
182.81969	0.9
191.07135	10.2
193.05058	25.9
202.02760	1.0
207.06563	2.7
207.76566	0.7
217.05064	4.4
235.06136	15.4
239.09219	1.4
262.81351	0.8
265.07263	7.5
294.66785	0.8
295.08292	15.9
314.31128	0.7
350.37222	0.8
355.10345	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	354.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74908	0.5
59.01387	11.9
61.43726	0.5
61.98835	100.0
62.56365	0.4
71.01388	2.6
85.02949	0.8
96.17445	0.6
112.48656	0.8
161.04520	2.7
164.25960	0.7
164.64960	0.6
179.93631	0.6
191.05553	1.0
334.12573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12066	0.2
59.01386	0.4
61.98838	100.0
63.87973	0.2
71.01398	0.2
117.49182	0.2
117.50089	0.2
119.78738	0.2
215.62039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11442	1.8
55.01896	3.4
57.03468	8.0
59.01387	100.0
67.01915	3.6
67.02438	1.9
69.03478	3.1
71.01386	82.7
71.01775	3.2
72.99329	4.4
73.02949	30.4
83.01410	11.8
83.05056	3.1
85.02958	47.9
85.06621	2.4
87.00900	12.8
89.02451	57.2
92.10065	3.6
93.03453	35.5
99.00896	31.2
99.04568	2.5
101.02453	30.5
111.00898	10.0
111.04580	14.9
111.05283	2.1
112.98821	85.0
113.02464	17.3
115.00379	8.7
115.04052	8.5
117.01963	3.6
119.03507	18.6
121.02955	49.0
123.43533	2.0
129.01933	4.8
129.05595	2.5
131.03514	3.3
133.05014	3.3
137.02451	2.0
139.34909	1.9
142.99899	9.8
143.03479	4.5
149.04584	13.6
155.03505	9.9
161.04567	10.3
163.06093	14.4
173.00937	20.2
173.04561	56.9
179.05681	15.9
181.05135	17.0
181.07211	67.7
191.05661	56.9
193.06119	3.7
202.77594	2.1
203.37459	2.0
235.08269	2.3
355.10416	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1713
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
57.85641	2.8
59.01396	18.0
113.31351	3.5
121.10236	8.0
130.01544	3.1
171.10306	20.9
275.20151	22.9
292.48337	3.3
293.21335	16.1
351.17139	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	353.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.0
67.01880	0.4
71.01398	0.6
71.64407	0.2
73.02963	0.3
74.78150	0.2
76.38715	0.2
76.58452	0.3
85.02958	11.9
85.03461	0.5
87.00871	2.0
92.71693	0.3
93.03467	4.0
99.04508	0.4
106.89664	0.3
108.91617	0.2
109.02970	1.3
110.79079	0.2
111.04536	1.6
115.99678	0.3
127.04017	2.3
133.02971	0.5
135.04526	1.5
161.02469	1.6
171.03059	0.4
173.04541	0.9
191.05650	100.0
218.17696	0.3
273.86545	0.3
353.08829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48135	0.6
51.53130	0.7
57.03467	1.1
59.01400	4.7
63.43649	0.8
64.34892	0.8
64.78649	0.8
67.01917	6.3
69.03488	1.6
71.01393	5.1
75.24220	0.7
81.03504	1.3
83.05058	1.1
85.02964	15.1
87.00893	1.7
92.03491	1.0
93.03465	42.0
95.24562	0.8
99.04548	1.4
107.05015	1.6
109.02975	1.0
111.00887	1.2
111.04533	9.0
127.04005	4.2
133.02974	2.1
134.03754	9.4
135.04536	100.0
137.02454	6.3
155.03506	4.6
161.02415	5.5
172.78638	0.8
173.04564	86.7
174.04950	1.0
176.77876	0.8
179.03513	51.3
191.05649	73.0
331.27448	0.9
353.08853	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79014	0.3
51.78379	0.2
52.38853	0.3
53.93196	0.3
57.55391	0.3
59.01385	1.8
71.01376	1.4
85.02953	10.1
85.03461	0.4
87.00877	2.2
92.10690	0.5
93.03446	3.9
109.02964	0.5
111.04539	0.6
127.04005	2.3
129.46999	0.3
133.02966	1.4
135.04478	0.5
140.52791	0.4
156.61217	0.4
161.02431	2.3
163.87350	0.4
165.38510	0.3
171.03009	0.7
173.04498	0.8
185.32362	0.3
191.05635	100.0
353.09219	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2128
Annotation	Guayulin B
Peak:m/z	Relative Intensity
55.17768	0.2
57.28685	0.2
58.35918	0.2
66.20356	0.2
78.95934	0.2
87.82374	0.2
92.10841	0.5
112.29367	0.2
147.08150	0.2
150.21193	0.2
152.99573	0.3
161.06137	0.3
163.11293	100.0
164.11626	0.7
177.09219	75.0
178.09546	0.3
191.05676	0.7
222.08984	0.4
233.10272	0.2
326.50177	0.2
353.21280	71.4
354.21475	0.4
374.70853	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.3066
Annotation	22-Oxo-docosanoate
Peak:m/z	Relative Intensity
50.11992	0.9
56.72789	1.0
59.01383	2.1
67.02489	1.0
91.08199	1.1
92.10859	2.2
147.18336	1.1
191.05608	7.3
255.23248	1.2
293.25015	1.5
334.55359	1.3
353.30649	100.0
355.75812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01417	0.5
61.98841	0.5
71.78569	0.3
72.00911	6.4
74.02494	1.5
75.78185	0.3
76.57756	0.3
82.02985	0.8
89.11047	0.4
91.72850	0.4
93.03469	3.7
100.00407	14.3
116.05067	12.6
117.03471	13.0
119.05023	100.0
120.05354	0.5
128.05023	2.8
130.06628	9.9
132.05794	0.5
142.06628	29.3
144.04578	0.4
145.02963	43.2
146.06119	5.5
147.04523	3.9
156.06963	0.5
157.07715	12.7
159.09297	10.5
161.04741	0.4
162.05595	1.8
174.05606	1.6
176.07205	3.0
181.07741	6.5
185.07179	1.4
186.05615	10.5
199.08812	0.7
202.05014	0.5
203.08298	5.9
220.06137	0.6
229.06195	32.9
305.13052	6.7
341.01974	0.5
349.12039	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	349.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28944	0.1
56.60271	0.1
59.01395	1.2
61.98835	100.0
70.61024	0.2
72.99335	0.2
73.02966	0.2
82.17295	0.2
117.32186	0.2
183.21252	0.2
221.40511	0.2
258.88150	0.2
264.32480	0.2
284.70105	0.2
349.21802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04525	0.1
55.82315	0.1
56.20731	0.1
64.34893	0.1
74.30106	0.1
76.38701	0.2
88.39857	0.2
92.10780	0.2
108.02192	0.2
109.25223	0.2
119.99353	0.2
127.62630	0.2
142.08105	0.2
144.04570	100.0
145.04903	0.4
188.84964	0.2
204.10745	0.2
218.24141	0.1
306.09918	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08095	60.1
54.83142	81.9
63.35382	90.7
64.51853	69.1
77.87111	75.4
91.01258	85.9
96.11369	77.3
120.37962	80.2
127.53392	75.2
153.20030	89.6
227.11243	90.9
245.15147	100.0
254.14452	91.8
275.31183	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	3.2
61.98836	100.0
64.19556	0.5
66.52359	0.5
96.71949	0.5
104.56484	0.5
125.93254	0.5
148.89108	0.6
162.53825	0.5
181.49361	0.6
185.06181	0.6
245.35805	0.6
285.04080	13.4
323.68488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22035	0.3
58.85746	0.2
59.01391	100.0
61.98853	0.4
137.45479	0.3
140.83319	0.3
207.99037	0.4
300.29321	0.3
317.98267	0.4
336.61142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56889	0.4
50.97727	0.4
55.07352	0.3
59.01387	6.3
59.27348	0.4
68.91374	0.4
72.00909	9.3
74.02493	3.1
78.34435	0.4
78.68320	0.4
89.42828	0.5
92.10868	0.4
93.03452	0.7
100.00411	17.3
115.37409	0.4
116.05071	9.8
117.03466	16.2
118.94600	0.4
119.05029	100.0
128.05138	0.5
130.06627	4.7
142.06636	37.6
145.02968	54.8
146.03366	0.4
146.06169	0.9
157.07733	2.6
159.09286	3.9
168.44992	0.5
185.07303	1.0
186.05626	12.8
203.08308	8.0
229.06200	34.8
305.12854	1.8
349.12003	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03872	0.6
57.03463	0.9
59.01397	100.0
61.63147	0.7
61.98835	1.2
71.01394	8.6
73.02961	1.3
73.91390	0.7
74.02457	0.8
77.00650	0.9
82.95434	1.0
83.01397	1.3
85.02968	4.8
87.00903	1.0
89.02444	1.2
93.03478	1.4
95.01364	0.8
97.02957	1.5
101.02457	5.1
112.04032	1.3
113.02460	4.3
117.32897	0.8
122.03741	1.2
125.02422	9.5
149.06136	1.6
152.25041	0.7
161.04584	6.2
166.05103	1.2
167.05426	1.8
177.05646	5.4
191.05632	1.7
266.21097	0.7
311.07626	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	347.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39964	10.2
58.02978	44.3
59.01392	76.6
64.34557	10.3
65.13599	9.8
167.83519	12.8
168.13924	100.0
168.44049	11.8
197.11751	23.1
309.20767	52.6
323.44992	12.4
363.95084	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67255	4.1
58.02995	60.8
59.01398	83.8
75.09705	4.2
92.10062	5.7
99.00898	7.8
125.34714	4.6
133.15959	5.8
158.28177	6.1
168.13974	100.0
178.46524	4.8
179.44127	4.8
209.15396	6.1
210.43715	5.8
234.90088	5.9
293.21365	7.1
304.19150	10.1
309.20670	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	347.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15775	3.6
54.35503	2.9
59.01381	41.2
59.24333	3.6
92.65546	5.3
137.18600	4.1
159.20459	3.6
171.10298	33.6
293.21280	27.0
309.20804	21.8
311.22318	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	347.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
68.60822	38.4
72.70092	36.8
92.10167	100.0
114.39677	47.5
133.80318	42.4
159.58783	46.0
170.10690	41.8
170.80716	39.2
219.89764	47.2
292.26071	46.4
311.22479	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	347.2
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37387	2.4
54.82735	3.1
59.01398	7.6
59.75074	3.3
61.10706	2.9
171.10283	16.1
193.15179	3.4
197.11853	4.3
211.13387	5.1
293.21500	4.8
311.22336	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	346.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.8
59.61830	0.3
60.01734	0.6
60.57833	0.3
61.01816	0.6
61.98841	100.0
93.03458	0.7
98.52556	0.4
121.02963	3.7
122.03292	2.7
123.03421	0.6
124.03756	0.5
172.45570	0.4
191.05690	1.7
253.24809	0.4
297.72308	0.4
345.59003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84339	0.9
57.03467	1.1
59.01390	100.0
67.01910	2.7
71.01388	19.7
73.02941	1.1
74.02502	0.9
78.33540	1.1
83.05082	2.0
85.02959	9.2
87.00901	1.9
89.02458	18.1
92.10737	1.6
93.03462	22.7
93.04014	1.3
94.03826	1.7
101.02467	7.5
111.04539	1.9
113.02478	7.4
119.03531	6.0
120.78380	1.2
121.02895	1.6
133.03008	2.0
134.03745	1.7
135.04539	7.0
136.04897	2.2
137.02509	1.7
155.10760	1.2
160.01660	4.4
160.13057	1.1
161.02428	11.2
162.02797	2.4
168.92062	1.2
172.73581	1.2
173.04568	33.1
179.03511	4.4
179.05560	1.7
191.05652	37.5
192.05995	6.1
197.09669	2.5
259.07394	1.4
287.37143	1.2
301.10889	1.6
308.95343	1.1
346.15857	1.5
362.86789	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2755
Annotation	Anandamide
Peak:m/z	Relative Intensity
52.70852	1.3
54.07382	1.1
58.02979	17.7
58.31993	1.2
59.01387	2.0
61.98841	2.9
68.58197	1.3
78.90002	1.5
82.06636	7.1
88.43009	1.7
89.17162	1.3
96.98508	1.4
128.10817	46.4
131.39365	1.4
300.82642	1.7
346.27573	100.0
367.10001	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	28.3
60.01722	3.1
61.01819	0.5
61.98843	100.0
84.17524	0.2
95.17522	0.3
101.17079	0.3
119.18964	0.2
152.60039	0.3
157.03616	0.4
158.03741	0.4
159.03358	0.4
161.01295	0.4
201.02614	3.6
202.02766	8.8
203.02328	8.2
204.00031	30.9
204.02682	2.7
205.00165	0.2
245.78468	0.3
261.48148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48478	0.3
53.19006	0.3
55.43027	0.3
57.37684	0.4
59.01387	33.6
61.99365	0.3
65.35384	0.3
71.01406	0.7
80.09250	0.3
80.50227	0.3
83.99503	0.4
87.02025	0.4
89.02450	0.6
92.10136	0.4
93.03453	8.0
102.10777	0.4
121.02955	45.0
123.04524	100.0
135.04550	0.6
168.44624	0.4
180.17868	0.4
197.00876	0.4
211.38530	0.4
247.04274	0.4
285.09839	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	345.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	3.3
65.53098	0.6
66.45266	0.6
68.68848	0.7
71.01369	1.0
72.99300	0.9
75.00867	13.3
75.88066	0.8
89.02465	3.3
111.08167	1.0
113.92829	0.7
117.01942	1.0
135.01981	1.3
135.03004	38.3
165.12856	21.7
171.68228	0.8
178.99889	1.3
183.13913	100.0
204.89185	0.8
209.11826	1.5
218.64526	0.7
227.12923	52.6
248.30333	0.8
345.15637	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	345.156
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
53.57610	1.3
55.01895	3.2
57.03473	3.3
57.39564	1.3
58.00618	1.6
59.01387	100.0
60.99319	1.5
71.01382	56.0
72.99328	2.1
73.02935	12.5
83.01389	3.2
85.02968	22.5
85.04816	1.3
87.00902	1.9
89.02448	33.2
92.65518	1.5
93.03458	2.4
95.01402	2.6
98.15242	1.6
99.00883	6.4
101.02449	29.9
113.02460	23.9
119.03522	12.2
121.02943	3.0
121.10252	9.7
127.81442	1.6
143.03516	1.6
153.09239	8.0
161.04625	11.6
165.09167	2.5
178.99922	2.9
183.10201	2.1
191.05638	8.4
197.08160	6.1
197.11807	13.4
233.17198	2.2
340.34412	1.7
345.11572	3.3
345.15601	51.0
346.16129	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01456	0.5
54.83214	0.7
55.01898	0.7
59.01388	100.0
68.99574	0.8
71.01405	7.0
83.01404	0.7
85.02971	1.5
89.02448	1.5
93.03455	16.9
95.05045	3.7
96.95976	0.9
97.02969	0.8
98.01691	0.9
98.92497	0.6
101.02451	1.7
113.02460	1.7
119.03521	1.2
121.02934	1.1
123.00910	3.4
123.04532	97.4
126.95274	0.7
137.02454	16.3
139.00340	2.7
139.04028	11.9
161.04555	3.6
165.05542	0.9
191.05469	0.8
203.09290	0.8
227.39586	0.8
285.09744	1.1
307.34299	0.7
309.12003	10.1
345.08408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67738	0.4
56.09928	0.3
56.60657	0.4
59.01385	33.6
64.86563	0.4
71.01381	0.9
74.44851	0.4
88.39964	0.4
89.02428	0.5
90.06687	0.4
93.03457	8.0
94.83799	0.4
98.31651	0.4
108.21822	0.4
115.69689	0.5
121.02955	42.6
123.04523	100.0
125.16460	0.5
135.04622	0.4
137.02408	0.6
178.99896	1.0
191.05634	0.8
197.00929	0.7
285.09869	3.0
309.06442	0.6
339.45792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49346	1.2
55.01902	1.5
58.00605	1.5
59.01386	89.4
60.59039	1.1
61.88687	1.3
61.98843	8.7
65.21184	1.3
71.01380	40.8
72.28665	1.1
72.99313	2.9
73.02968	1.5
83.01362	1.9
83.08298	1.1
85.02950	12.5
87.00900	2.0
89.02449	35.9
92.05068	11.6
92.10173	2.7
93.03403	1.6
95.01424	2.1
96.96031	2.7
97.02937	1.4
99.00913	1.5
101.02452	21.5
108.04617	4.5
113.02453	14.0
119.03528	10.3
119.05014	14.3
120.04559	34.0
120.05389	11.6
121.02967	6.1
122.02498	1.6
122.03348	7.5
122.06121	10.4
136.04065	12.2
137.39781	1.6
138.05618	54.9
139.04004	7.0
146.31911	1.4
150.04268	2.3
164.03551	73.6
180.06677	2.7
191.05627	2.8
218.08267	1.5
300.10919	17.0
344.09921	100.0
347.35306	1.5
359.94266	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69763	31.7
53.29727	38.4
54.76889	42.7
59.01392	44.4
66.13295	47.8
97.42472	42.1
109.79590	37.9
122.03270	46.5
151.77074	51.0
217.07245	79.3
278.36871	42.4
292.08493	46.1
301.16830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42584	0.7
55.01903	1.0
57.03471	1.0
58.00621	1.1
59.01395	48.7
60.29157	0.7
71.01390	29.6
72.99306	1.4
73.02964	3.2
75.00893	1.5
79.05537	5.8
81.03483	3.4
83.01421	1.0
83.17136	0.9
85.02956	9.3
87.00928	1.0
89.02450	26.7
93.03480	2.9
95.01416	1.3
99.00876	1.0
101.02455	12.6
108.62553	0.8
113.02458	11.3
114.47077	0.7
119.03501	8.1
119.04968	0.9
121.02951	11.9
123.04527	100.0
131.03487	0.8
135.04538	4.2
142.32886	0.6
148.75052	0.7
159.02988	0.9
161.04582	11.8
165.01941	19.5
167.03488	5.8
173.04568	1.3
175.49959	0.7
177.04039	4.0
178.99902	3.8
179.03542	3.5
179.05673	3.9
191.05627	5.2
195.05215	0.7
197.00945	3.7
209.04628	0.9
227.07158	1.5
238.01234	0.7
285.09821	4.0
345.08325	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	345.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90568	0.7
55.01893	1.1
57.03467	0.7
58.00616	1.1
59.01388	24.4
61.98852	3.6
71.01388	13.5
71.05034	1.0
72.99329	1.1
73.02966	2.9
75.28783	0.8
78.95914	2.8
82.32467	0.7
83.01388	0.9
83.28300	0.7
84.66870	0.6
85.02943	5.2
86.76096	0.9
87.00900	3.9
89.02448	12.8
93.03500	0.8
93.53436	0.7
95.01445	0.8
96.96009	0.8
97.03014	5.4
101.02461	6.5
107.05066	4.8
113.02481	4.0
114.09261	1.1
117.01927	1.7
118.98060	0.7
119.03528	5.0
119.05035	21.8
121.02977	4.0
123.04526	1.4
134.03754	28.2
135.04538	100.0
137.06100	1.0
138.15273	0.8
139.00369	1.6
139.04022	19.1
146.03754	1.7
147.04570	15.1
153.05632	1.6
161.04579	1.4
165.01933	1.4
165.04196	1.2
165.05576	7.6
178.99998	0.8
179.05623	1.5
183.06641	4.3
186.07791	2.7
191.05721	1.1
211.29062	0.8
213.37221	0.8
297.09860	4.7
309.12012	5.1
327.10638	0.8
331.51068	0.8
345.08560	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2495
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.51530	0.8
54.83148	0.9
58.82459	0.8
59.01389	14.1
61.98835	0.8
64.35167	1.0
64.97382	0.8
69.03447	1.4
79.48697	0.7
92.10826	1.8
99.08163	7.8
121.02952	10.0
121.10237	6.1
125.63605	1.0
127.11290	1.3
137.09744	1.6
152.70088	0.9
162.85461	1.0
171.10301	33.5
178.42445	0.9
193.12340	13.7
197.15593	0.9
211.13391	2.1
225.14999	19.2
226.11613	0.9
243.16042	2.0
293.21051	3.7
335.64270	1.0
343.24976	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	343.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49012	1.1
59.01389	13.8
60.17618	1.1
61.98846	2.2
69.17102	1.2
76.57742	1.3
81.02489	1.2
121.02977	11.7
121.10236	14.4
125.09718	1.6
130.29561	1.3
135.04538	2.6
135.08162	7.5
136.01669	2.3
137.09705	2.0
139.11363	2.2
151.04019	2.5
159.69514	1.4
171.10300	82.3
187.15559	1.3
201.02603	1.5
249.15010	4.9
305.17575	12.3
325.93301	1.5
343.24979	100.0
344.25397	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	343.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52883	0.7
54.46083	0.6
54.80384	0.8
55.82440	0.8
56.80641	0.8
59.01381	13.0
59.32127	0.8
61.72180	0.8
70.41948	0.8
71.01382	1.1
71.05038	1.5
83.05054	1.5
90.07335	1.1
97.06589	1.1
99.08158	5.6
100.71226	0.9
109.06566	7.0
111.04536	1.3
113.02458	0.9
116.36230	1.0
121.02971	7.7
121.10239	9.9
125.09706	2.0
127.07658	1.2
127.11250	0.9
135.04602	1.6
137.09723	3.6
139.11331	1.4
153.41869	1.0
159.54446	0.9
171.10291	49.0
175.11365	1.2
193.12344	11.4
193.60783	1.0
201.02505	1.2
225.14984	17.0
243.16019	3.9
245.19160	2.1
289.18140	64.3
293.21127	3.0
299.31595	1.2
307.19281	6.3
343.24960	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	343.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83015	0.5
57.42194	0.5
59.01389	100.0
59.69216	0.4
67.46856	0.5
69.37769	0.5
69.56278	0.4
70.01001	0.4
71.01393	4.3
76.82972	0.5
85.02972	0.6
89.02458	4.8
93.03457	0.6
96.59887	0.5
101.02457	0.9
111.00950	0.9
113.02479	2.0
119.03513	1.0
121.02967	13.0
135.04546	5.2
139.97073	0.5
177.31226	0.6
195.53879	0.5
199.98125	0.6
271.19055	0.8
311.57718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
68.22250	6.4
69.11055	6.3
80.65348	5.7
83.44098	7.1
83.46987	6.0
92.65424	8.2
101.78279	6.5
108.58746	7.1
121.02978	47.7
193.57292	6.7
247.64548	6.8
283.26477	8.4
343.28491	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	343.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69312	9.7
53.54815	11.7
59.01395	100.0
60.09668	11.4
63.89433	10.6
65.37190	10.9
89.02432	16.7
92.65197	11.9
121.02947	93.9
167.79303	12.3
185.11581	12.2
207.88776	14.8
209.11723	16.7
219.36404	12.5
229.34256	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	343.213
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
53.53085	1.1
55.11428	1.1
57.03464	6.1
59.01389	15.3
60.54715	1.1
66.80387	1.0
78.70481	1.5
83.15966	1.1
84.98725	1.1
91.26943	1.0
97.06599	19.5
102.24487	1.2
121.02960	15.4
123.08181	8.5
125.09732	100.0
127.11381	1.5
135.04535	1.7
140.05060	1.3
143.10744	1.4
154.04735	1.2
169.08842	1.4
173.11838	42.2
184.87698	1.3
187.09787	18.7
211.17203	1.4
281.21191	5.7
325.20270	6.1
343.21304	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90418	0.2
59.01386	18.4
60.78864	0.3
61.98836	2.9
69.44847	0.2
71.01380	0.5
71.47626	0.3
73.02987	0.3
73.77550	0.3
83.31258	0.2
85.02965	0.5
85.49179	0.3
93.03468	0.5
109.02919	0.3
121.02956	100.0
133.02943	0.6
135.04562	0.6
137.06152	0.3
151.03996	3.5
157.64799	0.3
161.02347	0.5
168.91197	0.3
179.03490	0.5
181.05026	1.7
191.05577	1.4
209.97392	0.3
343.10641	0.6
356.77814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.7
59.32452	0.5
71.01387	18.1
72.99324	1.0
80.58678	0.5
89.02456	0.7
92.10782	1.7
96.44148	0.5
98.56492	0.5
111.00873	0.8
111.08167	0.9
111.30609	0.6
115.00385	18.1
121.02959	2.9
133.01451	18.4
151.00403	2.1
165.12878	18.6
183.13931	100.0
196.63571	0.5
209.11842	0.7
225.41098	0.5
227.12941	64.6
255.03044	0.6
256.03418	2.3
284.03018	1.1
285.03638	2.3
316.05533	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	343.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27916	0.4
59.01387	100.0
70.05124	0.4
71.01386	3.9
71.17932	0.4
79.86666	0.4
85.02943	0.7
87.04520	1.0
89.02434	4.5
92.10828	0.8
96.41548	0.4
99.00346	0.5
101.02466	1.0
113.02491	0.9
119.03474	1.1
121.02962	14.1
124.98066	0.4
135.04514	0.7
159.10326	0.7
163.82484	0.5
179.05713	0.7
191.05595	0.5
192.31770	0.5
259.60236	0.5
278.35367	0.5
292.08508	0.5
299.09265	1.9
343.08130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01723	0.2
61.79830	0.1
69.42047	0.1
92.65849	0.1
113.04609	0.2
115.02534	0.6
117.00443	0.2
121.03011	0.1
139.94829	0.1
141.47606	0.1
157.03584	6.8
159.01518	5.5
160.31126	0.1
178.95126	0.6
201.02586	74.2
202.02797	0.7
300.14136	0.1
343.03751	2.4
344.58438	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78568	3.1
59.01393	18.1
66.41154	3.1
69.71886	3.1
84.41993	3.7
107.46581	3.2
276.75424	3.3
277.94577	3.7
281.24908	4.9
282.14456	3.5
299.25937	4.4
341.30606	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	341.3065
Annotation	21-hydroxy-heneicosanoic acid
Peak:m/z	Relative Intensity
51.20046	0.5
59.01385	3.5
64.22182	0.7
87.33798	0.7
236.85083	0.8
265.25375	0.8
273.65927	0.9
281.24933	0.9
286.81857	0.9
295.30133	3.4
299.26413	0.9
309.24139	0.8
341.30664	100.0
342.31018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3064
Annotation	1-O-Octadec-9-enyl glycerol
Peak:m/z	Relative Intensity
57.75499	0.6
59.01392	1.2
61.49660	0.6
71.05019	27.5
72.71008	0.7
73.02957	0.7
75.56886	0.6
83.05035	1.7
83.85008	0.6
141.07181	0.9
186.14331	0.9
195.19347	0.8
267.26959	5.5
281.25400	1.3
281.28525	37.5
288.34482	0.8
296.45911	0.8
323.29568	15.5
341.30652	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	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72196	1.1
58.26757	1.2
59.01393	7.1
59.66081	1.2
71.01387	1.7
84.02166	30.8
84.02644	1.8
89.58075	1.3
97.02970	9.9
99.04530	7.4
119.08689	1.8
122.72447	1.5
127.11308	1.9
135.08183	2.4
136.01665	2.2
151.04066	1.8
153.09413	1.4
171.10298	80.4
174.06915	1.4
216.79976	1.5
232.57289	1.7
260.68430	1.4
291.19806	1.7
341.23398	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	341.2704
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
50.52393	0.9
53.18382	1.1
59.01392	2.4
76.57763	1.2
103.92065	1.6
112.82206	1.7
171.96280	1.1
185.00746	1.4
257.29315	1.4
279.26965	94.5
323.22256	1.6
323.25989	28.2
341.20560	2.5
341.27023	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	341.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	10.7
67.53909	2.6
69.03443	2.4
84.02187	15.0
95.04933	2.3
97.02945	5.1
97.06579	4.0
152.46951	2.4
153.90791	3.0
171.10248	30.2
183.13896	15.8
209.11845	9.8
211.13383	13.7
225.14891	3.6
341.23410	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	341.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28141	1.4
55.01901	3.0
57.03458	11.7
58.69128	1.5
58.98057	1.4
59.01390	10.4
60.71864	1.4
67.01909	3.3
67.66544	1.6
69.03471	4.0
69.36291	1.6
71.05017	2.4
80.28567	1.8
81.03458	22.9
83.05043	21.8
84.02174	37.0
85.02949	37.9
92.10777	7.0
95.05066	4.4
97.02957	22.2
97.06602	3.2
99.04525	20.5
109.06645	6.6
109.47894	1.5
110.03738	2.7
111.04498	3.4
114.39186	1.6
114.96940	2.1
119.08669	3.6
121.03008	1.6
121.15618	2.1
125.09702	3.0
137.09756	3.2
153.09210	2.7
155.10825	3.4
171.10303	70.3
175.11282	1.8
177.12857	6.4
183.13960	6.6
193.12317	10.2
199.48459	1.8
211.13545	2.3
214.20499	1.7
221.11879	28.0
235.13470	17.8
239.12888	32.1
253.14473	10.8
291.19885	2.1
341.23401	100.0
357.52985	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	341.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	42.9
59.20840	7.7
66.97246	7.9
68.82220	7.4
71.01379	11.4
71.05012	19.2
81.03463	64.1
83.05001	32.6
87.99058	11.3
89.02422	10.8
89.95911	8.5
92.10754	23.0
95.05033	38.8
99.04529	58.0
124.96426	10.2
163.84679	9.9
171.10287	58.3
235.13452	61.7
253.14516	100.0
284.29092	10.5
287.16571	43.7
305.17636	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	341.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20902	1.3
50.71105	1.3
53.20351	1.4
53.40714	1.7
54.16636	1.5
56.92629	1.4
57.03469	7.9
59.01390	17.8
64.87363	1.8
67.01935	1.7
69.03477	8.7
69.06710	1.7
71.01417	3.6
71.05023	43.0
71.05359	2.6
81.03455	50.3
83.05028	32.6
87.10763	1.9
89.02489	2.0
93.03441	2.3
95.05027	21.2
97.02952	4.4
97.06606	2.2
99.04521	37.5
108.02172	2.2
109.02959	3.9
109.06615	9.0
110.03779	2.2
111.04535	14.5
121.02985	3.2
123.08131	2.1
125.09743	4.2
151.07684	9.8
151.38255	1.7
153.09206	2.4
155.10773	2.1
161.09763	1.7
169.12401	1.7
171.10289	41.0
189.12837	3.1
191.14458	11.1
193.12366	21.0
199.13297	3.3
205.16045	2.5
207.13821	2.2
209.11787	2.9
211.13431	6.7
221.11926	1.9
231.68948	2.1
235.13435	45.7
243.17439	2.7
249.15010	2.4
253.14490	100.0
253.17116	3.7
287.16562	26.1
305.17645	15.3
314.13901	2.1
323.18753	9.0
341.19949	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	341.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20907	0.8
55.01903	3.5
57.03463	2.1
58.00607	1.0
59.01387	100.0
61.98840	1.9
71.01384	42.2
72.99311	1.6
73.02943	10.0
73.28658	0.7
75.00890	1.3
78.95892	1.5
83.01398	5.3
85.02953	24.5
87.00868	1.9
89.02446	32.7
95.01385	3.5
96.96020	4.6
96.96976	4.0
97.02947	1.1
99.00880	4.6
101.02447	33.2
102.95936	0.9
103.03989	1.3
107.05043	5.6
113.02456	17.1
115.04037	1.3
119.03516	12.8
119.07163	4.0
131.03511	1.5
139.12581	0.9
143.03499	1.6
159.03024	1.3
161.04591	15.4
179.05656	9.2
227.65393	1.2
281.12476	52.8
341.08707	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37548	1.4
55.01882	3.3
57.03455	9.2
59.01390	6.0
61.29465	1.4
63.39027	1.5
67.01901	3.4
68.23487	1.5
69.03468	6.8
71.05038	3.0
80.02685	2.7
81.03459	21.1
83.05033	22.8
84.02171	36.9
85.02956	34.4
89.02471	2.3
92.10162	3.8
95.05043	2.9
97.02953	25.8
97.06571	2.8
99.04517	23.1
99.66357	1.6
109.06593	2.8
110.03750	2.5
111.04533	4.1
119.08664	2.2
125.09735	1.5
135.08128	3.2
142.02725	2.1
149.09650	1.9
155.10844	1.9
171.10281	87.7
177.12848	3.2
183.13893	3.9
191.14442	3.6
193.12389	11.0
211.13374	2.0
221.11845	29.0
235.13425	13.7
239.12938	23.8
253.14479	9.2
291.19669	3.6
341.23389	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	341.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84352	0.5
53.82433	0.5
57.63653	0.6
59.01384	13.6
61.28177	0.6
67.44949	0.5
71.01402	3.5
72.99343	0.8
75.82375	0.5
85.02934	0.7
87.00893	3.6
89.02449	4.9
91.98692	0.8
93.03463	4.1
101.02476	2.6
105.03523	1.1
107.46472	0.7
113.02409	0.8
119.05044	1.3
121.07555	0.5
132.02209	1.2
133.02962	42.2
135.04539	15.2
137.02473	3.5
149.06052	1.1
161.02464	100.0
173.79079	0.7
177.01961	6.1
178.02299	3.0
179.02357	3.4
179.03699	10.8
191.03392	0.6
203.03539	1.2
251.05731	0.8
267.41916	0.6
281.06741	1.0
297.04678	0.6
307.76578	0.7
341.08817	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	341.0881
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
50.81538	0.4
53.30930	0.4
57.03477	1.1
59.01392	5.2
59.66816	0.4
65.38479	0.4
69.41613	0.4
71.01392	4.0
72.99321	2.6
75.00876	8.8
77.72182	0.4
83.01476	0.5
85.02972	3.6
87.00905	5.3
89.02465	0.9
92.68319	0.4
93.03472	2.4
97.92242	0.5
99.00900	1.9
101.02429	0.8
107.05035	1.0
108.02177	0.5
108.87562	0.5
109.02959	0.7
117.03527	0.6
119.05027	8.0
121.02965	1.2
129.01945	4.2
134.03732	3.6
135.04535	100.0
137.02457	0.8
145.02985	1.7
146.03748	2.4
147.04543	4.9
159.03001	1.0
163.04036	7.3
177.04100	8.4
179.03517	58.8
191.03471	3.5
195.05138	14.3
209.04651	2.0
218.80792	0.5
230.94133	0.5
238.06192	0.5
251.07208	0.7
253.08691	3.2
332.43951	0.5
341.08786	19.2
358.79565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1092
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
51.99268	0.9
53.79996	0.8
55.01899	1.0
57.03461	4.7
58.00607	1.3
59.01388	100.0
59.29290	0.9
63.22480	1.0
71.01386	56.4
72.99313	1.7
73.02950	16.6
83.01398	1.1
83.99290	1.0
85.02960	9.9
87.00895	4.5
89.02443	64.4
95.01391	2.5
97.02937	1.2
99.00912	1.7
101.02452	24.4
102.28402	1.0
102.64419	1.1
113.02451	21.8
117.01958	16.9
119.03488	20.5
131.03484	1.6
143.03546	4.1
149.04575	12.7
159.03015	6.9
161.04572	6.6
179.05635	20.1
188.01447	1.2
217.27512	1.2
341.10989	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	341.0881
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
57.11581	0.3
59.01382	4.5
71.01383	7.1
72.99335	0.4
73.02967	0.5
75.00872	50.1
83.58328	0.4
85.02983	0.6
85.66515	0.3
87.00900	0.8
89.02440	0.8
93.03471	0.4
101.02461	0.7
105.13889	0.4
121.02959	100.0
129.01965	0.5
135.04536	19.6
149.02509	1.7
163.04022	0.5
164.04768	0.5
219.05141	4.4
223.06354	0.5
255.15022	0.4
341.08829	43.9
353.10605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11850	0.3
56.32910	0.3
59.01389	9.2
59.01658	0.5
62.77788	0.3
63.22110	0.3
65.48771	0.3
70.81860	0.3
71.01405	3.7
72.99332	0.4
73.02966	0.3
74.55206	0.3
75.39439	0.4
80.72288	0.3
84.07457	0.3
85.02985	0.7
87.00906	0.4
89.02435	3.2
93.03481	1.4
94.78172	0.3
101.02473	0.7
103.22758	0.3
105.03479	0.6
113.02458	1.3
119.03523	0.4
132.02179	1.5
133.02969	37.2
134.03670	0.4
135.04526	9.5
136.69604	0.4
137.02457	1.2
149.06056	0.4
161.02466	100.0
162.02852	0.5
177.01938	1.4
177.05621	0.5
178.02313	0.5
179.03560	10.7
185.07997	0.4
191.05551	0.6
203.03603	1.6
221.04688	0.5
251.05754	0.5
281.06638	0.4
329.95972	0.4
341.08801	11.2
341.12875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75021	0.6
54.83342	0.8
59.01394	5.0
63.02384	0.8
65.00339	3.5
71.01404	1.6
82.45289	0.9
89.02426	2.0
91.01897	17.1
91.02409	1.0
93.03472	17.9
100.51290	0.8
101.02481	1.2
108.02179	1.2
109.02963	61.9
119.04991	3.7
121.02952	4.0
131.05020	4.3
136.80614	0.7
137.02444	12.2
139.72632	0.8
140.10716	0.8
142.79626	0.9
143.05043	46.4
145.03015	1.9
146.03749	10.3
147.04547	12.2
153.88432	0.8
159.04539	8.8
196.43669	1.0
207.08134	1.1
209.06094	5.3
211.07652	1.7
235.07675	21.1
236.08394	1.2
238.06488	1.0
246.62735	0.9
251.07143	13.5
252.07860	4.3
253.08737	100.0
297.07745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0882
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
57.16576	0.4
59.01392	2.1
67.06020	0.4
71.01395	0.7
75.00890	0.7
87.00895	1.0
107.05071	0.7
107.33199	0.5
115.85823	0.4
117.03412	0.5
119.05000	1.9
124.39556	0.4
129.01961	0.7
134.03767	8.1
135.04538	100.0
137.02454	0.6
161.02422	0.9
179.03520	68.8
180.03938	0.5
193.05072	2.8
195.05106	1.8
196.84160	0.4
281.06784	0.5
341.08853	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	341.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38154	0.3
54.13487	0.3
56.18542	0.3
58.14622	0.4
59.01384	9.1
64.48811	0.4
69.55845	0.3
71.01382	3.5
83.01395	0.4
85.02943	0.8
89.02458	2.6
93.03469	0.9
93.06408	0.4
97.60502	0.4
101.02442	1.9
113.02462	1.7
132.02179	0.8
133.02963	36.3
135.04526	13.7
137.02484	1.5
148.54100	0.4
149.06093	0.7
156.07220	0.4
161.02458	100.0
177.01913	1.5
179.03517	11.3
203.03575	1.5
205.18790	0.4
221.04494	0.8
281.06549	0.7
284.48810	0.4
341.08868	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	339.2907
Annotation	CHEBI:79194
Peak:m/z	Relative Intensity
59.01387	100.0
61.98853	4.3
183.01247	25.3
187.20456	3.4
294.22418	3.3
339.19968	37.3
339.29123	49.9
341.00455	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	340.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57110	0.4
54.04293	0.3
54.82971	0.3
57.03445	0.3
59.01388	55.2
60.01723	6.8
61.98866	0.4
63.34430	0.3
71.01378	2.7
72.01721	0.5
73.02960	0.7
78.57616	0.4
81.03505	0.6
85.02972	1.9
89.02474	0.4
89.03974	2.3
90.04300	2.2
93.03450	1.3
101.02440	2.9
102.02797	0.8
105.03467	4.0
106.03803	3.9
113.02462	1.6
119.05031	0.8
120.05438	0.6
133.02965	9.7
134.03302	10.1
135.04573	0.6
137.02469	0.6
149.02478	0.8
150.02870	0.6
161.02469	1.7
161.04541	0.6
162.04904	0.6
163.04074	0.6
165.04568	0.7
177.01950	71.7
178.02290	100.0
179.02527	0.5
240.32025	0.4
279.14523	2.3
280.14893	6.4
340.07599	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	340.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30421	0.4
59.01389	19.1
60.01723	1.2
61.98840	100.0
63.00611	0.4
85.02952	0.7
93.03465	1.0
119.91086	0.5
124.06956	0.6
125.74061	0.5
133.59645	0.6
135.04469	0.5
137.02432	1.2
155.02498	0.5
158.28282	0.5
167.00816	0.5
176.29276	0.6
177.01741	0.5
221.14957	0.5
221.82292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74730	0.3
52.74575	0.4
54.97138	0.3
55.15651	0.4
59.01394	18.4
60.01725	1.1
61.98843	100.0
71.01390	0.6
75.70493	0.4
75.71864	0.5
86.16058	0.4
93.03450	2.0
96.04542	0.7
97.16862	0.4
101.80580	0.4
115.04030	1.1
135.04549	0.8
137.02448	2.2
178.02292	0.5
178.05045	0.6
215.47641	0.5
224.62068	0.4
225.80096	0.5
227.38686	0.5
279.14474	0.5
317.43451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31284	1.0
54.43984	1.0
57.03453	1.2
59.01398	2.6
63.99456	1.0
71.01382	61.1
71.66056	1.2
72.99316	1.4
73.02940	1.3
74.57278	1.0
79.38699	1.1
90.42972	1.1
115.00366	43.6
133.01456	29.9
135.11819	15.5
161.09674	2.0
161.39323	1.4
179.10782	100.0
223.09772	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36651	0.7
56.24215	0.7
57.03452	1.1
58.00593	1.4
59.01387	100.0
62.13467	0.7
71.01387	41.9
72.99326	1.6
73.02956	1.8
75.00863	8.2
85.02961	12.1
87.00885	11.3
88.98811	1.6
89.02454	42.4
93.03465	1.9
95.01399	4.3
101.02452	17.4
113.02465	14.6
119.03519	15.6
131.03473	1.6
139.03990	5.0
143.03548	1.3
146.06206	0.9
161.04568	5.1
163.09598	0.9
165.01909	1.5
173.04597	1.3
179.05632	7.6
191.05641	21.5
207.08781	3.4
221.04756	0.8
339.12878	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	339.2334
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
61.36204	0.3
76.71874	0.3
84.93384	0.3
89.23951	0.3
90.79275	0.3
92.10073	0.3
115.53089	0.4
163.11304	100.0
339.23376	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	339.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16801	0.3
59.01388	4.6
65.66496	0.3
65.77700	0.4
67.58327	0.3
71.01390	1.8
74.21680	0.3
85.74484	0.3
92.10123	0.8
103.00403	0.5
115.00408	1.5
117.03474	0.6
119.05046	0.6
121.02969	100.0
122.03260	0.6
133.01465	3.8
145.02953	0.6
163.03984	0.6
179.10817	1.5
201.71275	0.3
211.71384	0.4
251.07184	2.3
253.07228	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.8
59.01387	79.5
59.22924	2.5
62.61002	3.0
64.25416	2.7
71.01380	28.9
72.99304	46.7
72.99639	3.5
73.65326	2.8
75.00872	25.4
76.97151	3.1
79.05547	4.7
84.02165	3.9
85.02974	3.7
87.00880	4.8
89.02441	52.3
92.10140	6.2
93.03452	5.8
97.06568	21.6
99.00885	13.1
103.00385	4.8
107.05049	5.2
108.02166	4.4
109.06654	3.9
111.08154	16.6
112.98817	20.6
115.00389	4.7
117.01955	32.2
120.05833	3.3
121.02956	35.5
121.06586	17.4
123.08153	4.6
124.01709	4.0
125.02435	5.2
125.06097	17.4
134.03748	3.2
134.65877	2.7
135.02992	20.4
135.04552	6.3
135.08168	4.9
137.02443	3.3
137.05968	4.5
138.04367	3.0
139.07674	17.4
142.99873	100.0
145.02946	4.8
149.06097	29.0
153.05551	33.7
167.07137	31.9
171.06540	4.4
173.00899	27.7
174.01704	47.2
181.08722	13.8
191.03496	4.6
191.05544	3.8
193.05078	11.4
211.06169	5.4
225.07719	43.1
225.09746	4.5
235.35994	3.1
243.08798	3.7
251.07166	58.5
253.07234	3.2
271.08331	18.5
303.10870	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	338.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58865	10.8
56.69557	10.6
59.01392	95.6
59.30490	14.7
61.03964	10.5
64.34835	11.8
71.01400	16.9
85.02966	14.8
87.00891	16.4
93.03466	95.0
94.03815	23.8
113.02476	13.6
119.05042	100.0
120.05391	18.4
126.98627	12.8
160.72212	12.8
163.04007	59.2
173.04565	78.2
174.04936	25.2
191.05655	80.8
192.05948	13.7
250.56784	26.6
322.52689	12.6
338.09814	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	339.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00967	1.6
55.01884	2.2
57.03458	12.8
57.14007	1.6
57.97779	1.7
59.01390	28.9
69.99445	1.6
71.01385	92.4
71.05012	2.7
72.07642	2.1
72.99309	16.8
73.02956	30.2
83.01411	11.0
85.02956	15.4
87.00876	45.7
89.02466	8.4
99.00875	34.4
101.02456	3.5
101.06083	3.9
111.00878	24.2
112.98818	100.0
115.00369	43.4
115.04189	1.8
117.01936	43.1
124.98865	2.9
129.01936	15.3
133.01445	54.9
133.05055	10.2
142.99878	23.1
147.03021	51.4
147.06660	26.9
159.02994	3.0
161.04700	2.9
173.00954	21.2
175.39000	2.0
185.68350	1.9
191.05624	8.6
209.84821	2.1
220.64557	1.9
244.11986	1.8
269.97446	1.9
320.78543	2.1
339.07776	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67147	0.3
55.01890	1.3
57.03438	0.4
59.01389	34.5
61.58379	0.3
61.98835	0.4
69.03456	0.4
71.01388	15.8
72.99322	0.4
73.02949	68.8
75.00890	0.7
83.01390	1.8
85.02965	5.6
87.00891	4.0
88.98819	1.4
89.02451	10.6
92.10150	0.4
93.03457	1.7
95.01379	0.5
96.97013	0.4
99.00886	8.5
99.04528	0.4
101.02446	7.6
113.02458	6.4
115.00398	0.6
116.92898	1.4
117.01949	100.0
119.03503	2.5
119.05032	0.4
121.02940	1.8
127.19109	0.3
131.03540	0.5
139.04005	3.0
142.00404	0.3
161.04584	7.6
165.01923	1.6
177.05627	0.4
179.05612	2.5
189.07813	0.3
191.05655	2.0
221.04648	1.8
235.08185	2.8
249.09888	1.5
266.92188	0.3
279.11023	2.0
321.51944	0.4
339.13046	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24052	0.4
59.01389	100.0
59.11093	0.4
71.01387	4.1
73.02943	0.7
75.00892	0.5
83.01380	0.5
85.02968	1.8
87.00890	0.8
89.02459	0.5
93.03461	3.8
99.00828	0.4
101.02440	3.5
109.41260	0.4
113.02444	1.9
115.04021	4.2
119.05000	0.6
121.02901	0.4
125.04241	0.4
137.02437	0.7
139.04015	10.3
147.70311	0.4
161.04549	1.7
164.00090	0.5
173.04518	0.9
191.05659	1.9
199.21973	0.4
277.12982	7.3
301.09320	1.0
324.80109	0.5
337.09430	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
71.01382	5.6
73.02945	0.6
79.58859	0.5
83.01388	0.6
85.02940	1.0
87.00888	0.7
89.02449	7.8
92.15319	0.4
92.66521	0.5
93.03423	0.9
95.01363	0.7
101.02433	3.8
107.57072	0.5
113.02455	2.0
119.03503	2.6
137.02428	4.9
144.09241	0.5
156.21471	0.5
161.04608	1.9
171.72455	0.6
179.05632	1.2
191.05551	0.6
277.12949	3.3
329.05508	0.6
337.15100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.8
59.01694	0.1
61.20927	0.1
71.01390	0.1
73.02943	0.1
91.05551	0.2
93.03475	0.1
95.05043	0.4
97.24577	0.1
105.07124	0.1
106.04257	1.1
108.02214	0.1
116.33045	0.1
123.04544	1.3
130.04272	0.1
131.05040	1.7
132.05827	3.6
133.06604	100.0
134.06914	0.4
146.15891	0.1
161.32115	0.1
213.48445	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	337.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.0
65.95811	0.1
70.58952	0.1
73.02932	0.2
105.07133	0.2
106.04275	1.0
123.04541	1.1
131.05038	2.0
132.05815	4.4
133.06604	100.0
134.06929	0.6
180.51503	0.1
304.51590	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	337.143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33870	14.4
57.37576	14.1
58.59973	15.6
59.01400	100.0
71.01393	31.8
81.88400	16.9
88.83684	17.5
93.03483	24.5
96.61187	21.3
114.97543	18.6
119.05051	32.8
163.04051	21.4
173.04587	25.4
191.05600	77.6
203.96399	18.4
256.73477	21.4
271.71552	20.5
293.22101	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	337.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23761	0.3
52.07137	0.4
54.82898	0.4
59.01394	100.0
59.36895	0.4
64.06834	0.4
71.01385	6.0
84.44373	0.4
85.02955	0.8
86.58022	0.5
89.02444	7.5
93.03431	0.7
94.94807	0.5
97.54073	0.5
101.02438	3.4
113.02444	2.4
114.38872	0.5
114.40028	0.4
115.23238	0.6
119.03500	2.6
137.02434	2.9
147.18219	0.4
149.98187	0.5
161.04613	1.0
173.57108	0.4
179.05608	2.1
190.62425	0.5
191.05603	0.5
277.13077	2.0
322.52612	0.5
337.15070	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0934
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
58.10588	0.3
59.01395	0.7
67.01928	0.4
70.59470	0.3
71.01401	0.3
73.02973	0.4
85.02966	9.8
85.03465	0.5
87.00878	3.2
93.03468	4.7
101.95540	0.3
109.02982	1.3
111.04552	2.0
112.08027	0.3
116.92906	0.8
119.05051	1.8
127.04070	2.8
141.88353	0.4
145.03020	1.3
157.41731	0.4
161.38310	0.3
163.04083	1.6
171.03040	0.4
173.04604	2.0
181.55643	0.3
191.05661	100.0
192.06055	0.6
243.75961	0.3
337.09363	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01926	1.0
57.03467	1.4
59.01393	100.0
61.98840	0.8
71.01392	18.0
71.01766	0.7
72.99331	1.2
73.02965	3.4
74.82494	0.8
78.95950	0.9
80.93104	0.6
83.01402	0.6
83.43947	0.6
85.02959	6.5
87.00897	5.7
89.02451	13.3
93.03464	4.9
95.01423	0.7
99.00875	1.0
101.02457	6.5
113.02459	5.7
113.06090	7.5
115.04046	2.5
119.03526	4.8
133.05096	1.4
149.04572	0.9
152.20566	0.7
157.05057	0.8
161.04547	6.4
173.04601	3.0
176.37564	0.6
179.05606	3.2
191.05650	3.8
194.47551	0.7
211.07748	0.9
218.69116	0.7
241.46843	0.7
277.09283	1.2
327.08752	1.3
329.00430	0.7
337.11618	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.5
59.01387	100.0
71.01383	11.3
73.02963	1.2
78.95894	5.4
83.01434	0.6
85.02946	4.2
87.00878	1.1
87.04509	5.8
89.02451	7.0
93.03493	1.0
96.44987	0.6
99.00879	3.2
101.02422	6.4
111.02036	3.2
113.02460	4.4
115.04018	29.4
115.81496	0.5
119.03522	3.4
119.43623	0.5
130.08759	0.9
131.03488	8.6
133.01151	0.6
140.66432	0.6
152.85464	0.6
161.04578	4.0
173.04573	0.8
178.69173	0.6
179.05597	1.4
205.96814	0.6
277.09317	22.3
277.12369	0.7
313.24710	0.6
336.91687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93843	0.5
54.50651	0.5
54.93887	0.5
57.03458	0.9
59.01396	2.6
60.39911	0.5
60.99328	1.4
67.01900	5.8
67.04365	0.5
68.67772	0.6
69.03461	0.7
71.01388	1.2
81.03460	1.2
83.05037	1.2
85.02959	8.1
87.00875	9.9
90.14774	0.6
90.37559	0.6
92.10818	1.5
92.28004	0.5
93.03457	38.1
99.00939	0.7
99.04562	0.7
101.96419	0.7
102.50509	0.6
109.02930	0.9
111.04531	5.0
119.05019	14.7
127.04038	1.2
129.01962	0.7
145.02992	1.0
146.90767	0.6
155.03490	0.6
163.04010	11.2
168.98917	0.6
173.04550	13.0
191.05638	100.0
192.06017	0.6
216.59116	0.6
316.59650	0.8
337.09317	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	337.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77415	0.4
57.03449	0.9
59.01385	8.2
60.99327	0.9
67.01896	6.9
69.03470	2.0
71.01399	2.8
76.57369	0.5
80.95172	0.4
81.03461	1.0
83.05043	0.6
85.02950	7.0
87.00879	9.2
87.01383	0.6
93.03458	40.4
99.00892	1.0
99.04557	0.9
109.02950	0.6
111.04533	6.4
113.02377	0.4
117.03455	0.5
119.05023	20.8
127.04024	2.1
129.01938	0.8
137.02412	0.9
145.02977	1.1
155.03482	1.8
163.04008	11.3
173.03075	1.0
173.04573	28.8
191.05649	100.0
192.05969	0.6
337.09396	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49634	0.8
59.01381	1.8
67.01898	7.5
69.03487	3.0
71.01398	4.7
81.03488	1.0
83.05051	1.6
85.02977	1.9
87.00886	1.7
93.03461	49.6
101.98455	0.8
111.00920	0.8
111.04549	11.6
119.05038	22.2
137.02496	6.7
155.03506	6.7
163.04018	21.8
167.89638	0.8
173.04567	100.0
191.05646	21.4
211.07640	5.0
216.91437	0.8
337.09326	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	335.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.25909	4.5
59.51825	4.1
71.02548	5.5
100.07041	4.7
224.33162	6.2
242.31918	5.0
248.62004	5.7
253.21764	83.4
299.26010	40.4
335.22165	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.2
59.01386	14.7
66.23344	0.8
67.01891	2.3
68.99825	4.1
69.03458	1.7
71.01392	9.6
73.02965	2.1
75.00882	2.3
83.01381	2.4
83.05034	1.3
85.02963	10.9
87.00874	13.2
89.02473	1.7
93.03459	14.2
95.05038	1.4
96.96963	2.2
99.00876	5.7
101.02446	6.9
111.00820	1.1
111.02011	6.3
111.04539	4.1
113.02435	7.5
113.99585	22.8
115.00360	10.4
115.04001	1.9
119.05045	8.2
127.00407	2.3
129.01967	1.6
129.04807	1.0
133.01411	1.2
137.02455	1.1
142.04102	1.0
145.01431	2.2
155.03482	1.1
157.01414	5.3
159.03053	2.4
163.04007	4.7
173.04539	8.3
174.01691	26.2
175.02448	2.4
189.91512	1.0
191.05627	23.0
206.84285	1.1
237.06493	1.0
240.87682	1.0
250.06590	6.2
257.50092	1.2
275.30493	1.1
277.05936	16.3
277.08768	1.9
299.83405	1.1
337.07816	100.0
337.59494	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	335.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	26.1
64.47185	1.2
68.99564	10.2
71.01377	10.4
73.02953	1.7
73.14519	1.2
82.95437	2.9
83.40836	1.4
85.02965	5.9
89.02454	6.1
93.03456	92.1
96.95996	1.8
99.00880	1.9
101.02449	5.9
112.98578	8.9
113.02496	5.1
113.06090	3.0
119.03468	1.5
127.02326	1.3
137.02448	100.0
138.04991	1.3
145.14241	1.3
157.05063	1.8
161.04456	1.5
173.04559	1.3
242.74374	1.5
299.07855	3.0
315.39499	1.4
335.09906	2.8
335.13535	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	335.0776
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
50.35904	0.7
50.99101	0.7
53.82157	0.6
57.83054	0.7
59.01399	1.6
67.01920	3.3
71.01396	3.5
76.06779	0.8
78.95000	0.8
78.95498	0.8
81.03478	1.3
83.05036	1.4
87.00909	3.5
89.58869	0.8
91.05548	0.8
92.40419	0.9
93.02877	1.0
93.03458	20.1
109.02950	1.0
111.00935	1.0
111.04535	4.9
119.62114	0.8
133.02963	41.6
134.03738	6.5
135.04532	58.1
137.02463	3.3
155.03542	5.7
161.02466	100.0
162.02812	1.0
173.04575	52.3
179.03520	27.8
297.43112	0.8
335.07803	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.1
59.01394	1.3
67.01903	2.9
71.01397	3.3
83.05020	1.2
87.00889	0.8
93.03463	20.7
95.06495	0.8
103.27003	0.7
107.05058	0.9
109.02991	1.1
111.04533	6.0
121.56197	0.7
125.70963	0.7
130.04276	1.1
131.05048	3.6
131.08913	0.7
133.02966	35.7
134.03732	5.0
135.04535	58.8
137.02437	3.5
155.03526	1.4
161.02466	100.0
173.04570	67.9
179.03529	25.5
196.86259	0.8
231.27766	0.8
335.07800	78.1
349.79471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28526	0.9
52.53370	0.9
54.50816	0.9
55.01890	2.1
57.03466	2.1
58.00613	2.5
59.01385	100.0
70.88718	1.3
71.01384	51.4
72.99308	2.2
73.02943	1.2
82.02995	4.5
83.01405	2.1
85.02956	14.0
87.00890	4.5
87.10798	1.2
89.02444	44.1
93.03503	1.3
94.04297	1.5
95.01395	4.7
97.06606	1.4
101.02446	25.0
101.22875	1.2
107.05038	4.8
109.02940	1.3
109.06642	2.6
109.07451	1.2
113.02460	15.3
119.03507	15.1
125.06108	4.8
127.07642	5.0
135.04543	12.3
137.06100	5.8
137.35532	1.2
142.62247	1.0
144.04555	18.1
145.04933	24.9
153.05598	21.9
161.04510	2.3
179.03506	5.3
179.05692	1.8
197.67007	1.2
238.57764	1.2
270.53961	1.3
295.13425	1.0
333.11871	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	334.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61138	0.5
55.01888	1.0
56.82982	0.5
57.03469	2.2
58.00568	0.4
58.32213	0.5
59.01388	27.5
61.98843	2.9
63.99683	0.5
68.40242	0.6
68.99598	1.3
71.01382	19.5
72.17359	0.5
72.99320	0.9
73.02946	4.5
78.95918	0.7
83.01387	2.2
84.04546	5.0
85.02967	8.5
86.00111	0.6
87.00854	4.7
87.04520	6.4
87.84345	0.5
89.02446	12.8
94.03004	1.2
95.01389	1.3
96.96024	1.2
96.96967	0.7
97.01711	2.6
98.02489	1.2
99.00890	2.2
101.02451	19.2
112.04057	100.0
112.98605	0.8
113.02470	8.7
115.00424	1.0
119.03560	4.0
127.04018	0.9
130.08740	0.6
131.03517	8.6
133.05089	0.6
136.04044	24.9
142.01549	0.6
143.03514	1.0
154.05095	1.3
154.22113	0.5
161.04623	5.1
179.05620	2.9
218.09645	0.7
221.06685	5.2
307.10431	12.7
334.11221	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
57.03449	2.3
58.00600	1.4
58.29926	1.2
58.43198	1.1
58.45443	1.6
59.01388	100.0
61.98846	2.3
65.54874	1.3
71.01384	53.0
72.99327	2.6
73.02953	2.8
74.02448	1.3
80.77776	1.5
82.02975	1.9
83.01395	2.5
85.02958	14.2
87.00893	6.1
89.02447	45.6
93.03519	1.3
95.01392	3.2
97.06583	2.3
98.15144	1.4
99.00901	1.7
101.02460	23.9
106.04253	1.7
107.05025	7.8
108.02225	1.7
109.06616	3.0
113.02451	18.3
119.03490	16.4
125.06051	2.9
127.07655	2.8
129.05482	2.8
135.02878	1.5
135.04524	17.8
137.06073	2.8
143.03589	2.0
144.04541	14.3
145.04965	16.3
153.05559	21.1
161.04617	1.8
179.03491	3.6
179.05692	2.1
184.65611	1.6
242.34071	1.8
306.06253	2.0
333.11993	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39436	0.5
58.10204	0.5
59.01388	4.2
67.98257	0.5
71.01390	1.2
73.13107	0.6
78.95901	1.2
87.00908	0.6
89.02432	0.8
96.08183	1.0
96.96021	1.4
96.96969	1.1
101.02425	0.8
124.07685	10.7
137.04840	5.6
152.07188	100.0
171.23387	0.6
295.19266	0.6
305.92285	0.5
313.77368	0.6
332.13437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15593	1.0
52.92599	1.1
53.74405	1.1
58.02990	25.2
59.01387	12.3
65.43449	1.1
70.02984	12.8
71.01398	9.4
72.00938	7.0
72.04573	2.0
74.02476	100.0
75.00912	1.6
83.35659	1.2
84.48936	1.1
85.03001	3.2
93.03531	1.4
97.77338	1.3
98.02480	26.4
105.91360	1.4
107.32712	1.3
113.02493	1.1
116.03558	24.9
116.05070	48.3
130.06624	8.0
131.04849	1.4
137.02495	1.3
142.06606	13.9
155.10843	3.1
159.09303	9.3
171.10321	7.2
173.04494	1.6
185.07190	1.7
185.11816	2.7
186.74872	1.4
191.05614	2.2
201.10370	6.6
203.08307	77.2
217.10809	10.4
245.09370	89.0
276.98944	1.5
289.08356	35.0
333.15527	6.1
347.16412	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.7
57.03448	0.5
59.01389	100.0
61.98845	1.9
71.01386	7.1
71.81675	0.4
73.02954	3.0
75.95972	0.4
79.99812	0.4
83.01406	2.2
85.02958	4.3
87.67109	0.4
89.02457	0.5
95.01386	0.5
99.00919	0.9
101.02464	7.1
113.02449	2.1
161.04576	2.5
196.67726	0.4
215.13086	0.5
236.39931	0.5
289.16650	5.1
318.84070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.192
Annotation	Japodagrone
Peak:m/z	Relative Intensity
52.13255	0.7
54.10956	0.7
61.39709	0.8
62.25347	0.7
65.56136	0.7
66.60452	0.7
68.46991	0.7
91.01890	16.3
109.02988	1.8
121.02952	1.0
133.02953	1.3
135.00893	28.6
153.01978	1.1
159.29433	0.8
174.03223	1.2
177.18518	0.8
199.04022	3.7
200.04819	1.9
201.05568	1.8
214.06413	5.3
221.15483	1.0
240.96794	0.7
313.18170	100.0
314.18494	1.0
331.19183	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	331.1039
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
62.49063	0.3
64.34425	0.4
71.01414	0.4
74.53440	0.3
82.00611	0.4
83.83545	0.3
85.02960	1.3
94.97478	0.3
101.02454	0.4
110.00116	5.9
113.02467	0.8
120.71002	0.3
123.00892	0.5
124.01675	0.8
125.02467	7.4
137.99611	8.3
139.00348	2.5
140.01129	0.4
150.03241	0.5
151.00381	0.5
152.01164	2.5
153.01959	100.0
154.02705	2.4
155.03548	0.7
158.63519	0.4
166.02623	0.5
167.03500	5.9
168.00681	0.7
168.04297	32.1
169.01392	0.5
169.05103	3.6
181.01399	0.4
182.99435	0.4
201.71185	0.4
211.06100	0.4
289.82565	0.4
331.06812	1.4
331.10431	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	331.125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41507	0.2
59.01388	4.0
69.03478	0.5
71.01382	7.7
72.40951	0.2
73.02949	7.5
75.00863	0.3
83.37839	0.2
83.73215	0.2
85.02965	0.9
85.21485	0.2
87.00877	3.3
89.02448	36.6
101.02430	0.3
103.04028	3.5
130.99873	0.2
131.03511	9.1
149.04572	100.0
150.04942	0.2
195.27802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	70.6
60.51773	11.0
71.01381	20.6
71.65549	13.0
74.07475	13.4
75.79435	11.8
85.02959	23.2
89.02476	25.2
143.65977	13.7
151.00290	17.4
151.03973	28.3
179.05606	33.9
227.00493	14.4
274.64548	14.1
293.08896	22.0
331.08075	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	331.104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81006	0.3
54.82822	0.4
57.03455	0.5
59.01397	0.4
61.17833	0.3
67.17098	0.3
71.01384	0.6
83.01414	0.7
85.02976	1.7
96.83512	0.4
110.00120	7.3
113.02477	0.8
113.84688	0.4
123.00864	0.6
124.01687	1.6
125.02461	9.0
135.35785	0.4
137.99603	9.5
138.03252	0.7
139.00381	2.0
140.01155	0.5
142.55743	0.4
149.99612	0.8
151.00398	1.3
152.01147	2.8
153.01961	100.0
154.02684	2.1
155.03569	0.8
161.04622	0.5
166.02678	0.4
167.01332	0.4
167.03502	5.5
168.00656	2.2
168.04305	33.2
169.01445	1.9
169.05038	4.1
331.06741	3.3
331.10474	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	331.0675
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.50718	0.6
54.83335	0.7
68.64443	0.8
69.03461	5.1
79.01897	1.1
80.59199	0.8
81.03482	0.9
83.01418	1.6
97.02971	3.7
107.01391	1.6
123.00934	6.8
124.01658	26.0
125.02450	88.3
149.99605	42.8
150.00833	0.8
151.00349	4.5
167.03543	1.0
168.00659	89.2
169.01363	6.4
234.22328	0.8
248.51576	0.7
290.00574	0.8
313.05685	10.9
331.06778	100.0
349.38824	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96205	0.6
55.46581	0.6
59.01388	100.0
60.40436	0.6
60.75220	0.7
85.02983	0.9
93.03474	1.3
99.30827	0.9
107.16170	0.8
118.21037	0.7
131.01591	0.9
178.99884	3.6
197.00974	1.7
225.14990	54.6
247.27487	0.8
269.13992	9.6
329.16171	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2337
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
51.16298	1.0
59.01394	1.8
61.54126	0.9
64.94696	0.8
65.89326	0.8
68.09614	0.8
77.42120	0.9
80.07566	0.9
99.08163	7.3
125.09731	2.1
127.11292	5.6
136.34735	0.9
139.11305	6.2
155.14403	1.6
162.14273	1.1
163.60201	1.1
170.21846	0.9
171.10260	11.9
183.13927	7.1
193.12334	1.6
209.11978	1.2
211.13435	35.5
229.14456	15.4
313.49286	1.1
329.23395	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	331.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37804	0.7
55.19510	0.6
57.03455	8.0
59.01389	23.1
59.36784	0.6
65.00343	5.6
68.05703	0.6
71.01379	10.8
71.44714	0.7
73.02966	2.7
78.95907	0.7
81.03474	4.1
83.01390	20.3
85.02975	5.2
87.00894	4.7
89.02444	1.5
95.01434	0.7
97.02967	1.1
101.02406	6.7
107.01394	10.8
108.02187	100.0
109.02971	12.8
110.02509	0.9
110.93240	0.6
113.02455	3.8
118.63824	0.6
121.02969	1.4
123.04558	5.1
124.01683	3.2
125.02450	68.5
133.05081	26.8
135.04524	1.2
143.03510	1.0
151.00385	59.0
151.04012	10.0
153.01968	2.6
159.02943	0.7
161.04572	13.2
163.04085	0.9
165.01964	0.8
167.03571	2.7
168.00731	4.8
169.01437	32.4
169.05074	1.4
175.00331	6.1
193.01436	4.4
271.08298	10.9
288.35428	0.9
331.06790	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73807	1.1
57.03472	6.6
59.01387	18.2
59.01615	1.3
66.61273	1.1
71.01386	100.0
72.99311	36.2
72.99692	1.7
73.02962	1.2
84.02242	1.2
85.02983	5.1
87.00881	61.0
89.02460	5.6
101.06104	6.5
115.00376	23.0
121.02875	1.5
122.03754	5.3
123.04557	2.5
129.01942	9.7
133.01472	4.7
136.13319	1.2
147.03018	77.5
147.06641	18.1
149.04559	11.3
167.03471	2.0
169.18434	1.3
181.07182	6.6
288.83469	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0882
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.82835	0.5
55.41112	0.4
58.69997	0.5
59.01395	3.0
71.01401	1.1
75.54881	0.5
76.36264	0.5
80.02737	0.5
81.03477	0.7
85.02979	1.2
95.01380	0.7
96.87590	0.6
96.96030	0.9
99.76550	0.6
108.02189	95.5
121.02973	0.6
123.04529	37.4
130.88966	0.5
133.28751	0.6
144.97719	0.6
152.01175	63.7
159.99594	0.6
167.03522	100.0
178.99883	0.6
197.01015	0.8
329.08633	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	329.0889
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
51.88013	0.5
53.43203	0.6
59.01392	13.4
61.98842	11.2
71.01379	5.0
75.00883	0.8
85.02971	1.6
87.00861	0.6
89.02445	5.4
93.03461	1.4
95.01406	1.1
96.96000	1.6
101.02464	0.8
108.02179	61.2
109.02993	1.0
109.17735	0.8
113.02520	1.1
114.88299	0.6
118.98801	0.7
119.03535	2.7
120.66068	0.7
121.02962	9.3
123.00851	0.9
123.04526	46.1
139.04010	1.5
149.02467	3.4
152.00183	1.1
152.01169	40.5
167.03503	100.0
168.03990	0.8
178.99854	3.5
179.05624	1.0
181.04938	1.4
197.00867	1.5
209.04639	0.9
317.94055	0.7
329.08832	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	329.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87723	0.3
54.66536	0.3
55.01863	0.4
57.03440	1.3
59.01394	3.5
60.16033	0.3
71.01386	8.4
72.99313	1.7
73.02955	1.8
77.13065	0.3
77.28252	0.4
83.01395	0.4
85.02972	3.8
87.00890	2.2
89.02475	0.3
92.10849	0.4
93.03446	0.4
95.01387	0.5
95.13120	0.4
96.96048	0.4
99.00878	0.6
101.02442	2.2
105.11970	0.3
108.02180	2.6
109.02980	1.9
113.02451	2.5
115.00377	0.7
121.02961	5.8
122.03751	100.0
123.00898	2.6
123.04564	9.1
129.01971	0.4
133.75017	0.3
135.04530	1.4
137.02435	1.7
137.03474	0.5
137.06078	1.4
147.03021	3.1
147.04526	1.3
147.06633	0.6
159.03024	0.5
161.04572	4.8
162.03253	0.4
165.05539	3.1
177.05592	1.5
178.99872	0.6
181.05153	1.6
181.07170	0.4
197.01030	0.8
236.29787	0.3
246.49576	0.3
285.09848	1.5
295.85229	0.4
329.08884	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	328.0457
Annotation	2',3'-Cyclic AMP
Peak:m/z	Relative Intensity
54.82869	0.3
59.01386	3.0
59.26579	0.2
61.98829	2.9
71.01382	1.5
73.02970	0.4
74.99090	0.4
78.95914	0.4
80.25584	0.2
85.02961	0.4
85.17254	0.3
89.02478	0.7
92.02541	0.6
96.96039	0.3
98.36302	0.3
100.15104	0.2
101.02467	0.6
103.04030	0.5
107.03636	6.0
113.02451	0.3
117.71326	0.3
119.03506	0.5
119.04990	0.3
130.08693	0.4
134.04738	100.0
153.01358	0.3
167.03539	0.5
177.05525	0.3
194.98024	0.3
195.89215	0.3
267.11227	0.3
328.04636	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	329.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.4
59.81404	0.3
64.35567	0.3
65.03976	3.3
67.01909	1.4
68.67742	0.3
71.01387	2.8
73.02972	1.8
73.44811	0.3
82.58393	0.3
85.02945	0.5
87.00861	0.3
89.02446	3.4
91.01897	14.7
93.03475	0.5
95.05016	0.4
101.02417	0.4
109.02969	8.0
113.02441	0.5
115.00408	0.4
121.02991	1.4
131.03525	0.6
135.00909	10.7
147.04558	1.3
147.73128	0.3
148.04953	0.4
149.04568	5.4
152.79973	0.3
153.01959	4.5
167.03525	0.8
169.08693	1.6
178.99890	100.0
180.00180	0.6
196.02617	0.4
197.00957	92.0
212.07964	0.3
213.07721	0.7
235.04596	0.3
329.05249	1.3
329.12036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2906
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
50.05912	1.1
65.97317	1.5
66.82908	1.3
70.54204	1.3
72.69707	1.5
81.39829	1.4
97.89999	1.4
104.73958	1.4
119.39808	1.4
133.53192	1.4
180.21402	1.3
231.44081	1.6
251.23790	3.5
278.62048	1.6
287.92621	1.8
295.22855	1.9
327.22675	2.4
327.29074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.291
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
52.02966	0.4
240.43095	0.6
267.26901	1.3
309.28204	0.9
325.27344	0.8
327.29083	100.0
348.85583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2909
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01388	100.0
66.73508	2.9
80.41970	3.3
92.53419	2.9
96.77460	2.9
110.87286	3.0
112.73354	3.0
270.61938	3.0
287.84445	3.3
327.29144	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.291
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01394	100.0
77.07639	14.7
77.48908	15.2
118.41898	18.7
125.32829	16.0
156.41301	15.1
162.83954	23.1
269.17673	18.3
273.98996	16.6
312.81622	16.4
327.28976	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53984	5.0
79.64631	5.0
83.05030	9.8
97.06601	10.9
99.73113	5.6
125.09736	34.7
130.33705	6.0
137.09698	35.8
155.10765	9.4
156.25078	6.9
171.10283	100.0
173.11826	35.1
195.83238	6.2
249.14758	6.2
291.19708	12.9
327.21945	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	327.2181
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.44925	0.8
56.30807	0.7
56.53254	0.7
57.03467	1.8
59.01393	0.8
60.21527	0.7
65.23321	0.7
69.03486	1.9
77.29816	0.7
80.45548	0.7
83.05016	1.2
84.96355	0.8
85.02964	8.4
92.10831	1.7
95.04998	1.1
97.06602	4.9
108.11100	0.8
125.09724	1.7
125.48765	0.8
127.11247	1.4
137.09767	1.6
167.14398	1.4
171.10272	20.3
177.12933	1.2
183.13904	6.7
185.11824	1.1
193.76660	0.8
209.11803	3.1
211.13428	29.5
218.36093	0.7
221.11861	4.3
229.14464	16.3
239.12930	1.1
247.20563	0.7
291.19666	3.3
327.21823	100.0
336.09958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2546
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
79.90813	1.9
82.77738	2.1
98.00836	2.2
107.24854	2.3
171.28882	2.1
175.52130	2.4
209.29474	2.5
265.25397	83.8
309.24448	30.5
327.18878	3.4
327.25470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82702	2.5
59.01386	57.4
63.42938	1.9
71.01391	22.7
72.99319	9.9
85.02972	9.7
85.55990	1.7
89.02454	24.2
101.02465	13.5
105.78015	2.0
111.36715	1.7
113.02504	8.4
119.03482	7.2
119.05057	12.2
125.02476	2.8
135.04514	45.9
145.02931	2.8
147.04547	100.0
163.04007	8.0
165.05566	16.6
168.52907	1.9
179.03520	1.9
191.03514	10.2
205.03510	2.7
209.04547	3.4
324.83768	2.3
327.07431	6.6
327.10898	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1089
Annotation	Paeonoside
Peak:m/z	Relative Intensity
51.16481	0.3
53.64157	0.4
59.01398	21.3
61.22420	0.4
69.20195	0.4
69.31237	0.4
71.01389	2.1
75.00825	0.4
85.02965	0.6
92.10182	1.0
93.03451	7.1
93.53595	0.4
96.82943	0.4
113.02454	0.5
113.43380	0.4
119.05015	1.1
121.06611	9.2
163.77328	0.4
165.05588	100.0
166.05846	0.7
285.50479	0.4
327.10971	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	327.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12690	0.4
55.01881	3.7
56.64844	0.4
57.03452	3.3
58.00605	1.9
59.01386	100.0
60.01715	0.4
61.98839	1.0
71.01382	38.7
72.99303	2.8
73.02943	11.0
75.00865	0.8
82.05549	0.4
83.01392	6.5
85.02955	18.5
87.00871	3.0
87.04530	0.7
88.98817	2.2
89.02445	22.8
93.03463	1.0
93.64063	0.4
95.01382	4.1
97.02948	0.7
99.00893	4.1
101.02444	35.2
103.04005	0.8
105.05574	5.7
113.02452	16.7
119.03504	8.9
125.02443	1.9
130.19843	0.4
142.99870	0.6
143.03484	2.0
159.02977	2.2
161.04579	21.1
165.07681	2.8
172.82364	0.4
179.05620	3.1
181.07298	0.7
267.10886	75.1
281.12375	2.0
327.12894	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83152	1.2
55.01882	1.7
57.03464	1.5
59.01385	49.7
66.75256	1.0
71.01376	22.5
72.99306	9.2
73.02944	30.5
73.03349	1.1
73.33102	1.1
75.00871	28.0
75.01254	1.7
78.95907	2.7
79.51367	1.0
85.02956	23.6
87.00876	40.3
89.02450	23.2
93.03465	4.8
99.00900	1.9
101.00973	6.7
101.02432	11.7
102.05595	2.0
103.04041	1.2
111.00890	9.1
113.02486	8.6
114.98917	3.6
115.00380	1.2
117.00465	2.6
117.01945	2.1
119.03506	6.9
126.98942	1.2
127.04087	1.8
127.05148	6.6
128.03560	2.4
129.00461	4.6
129.01912	1.6
130.98390	4.6
135.03009	37.6
136.25244	1.1
136.94971	2.1
142.97569	2.0
145.06210	26.9
145.09882	1.5
146.04591	8.1
148.94997	4.9
154.98366	4.1
166.97517	1.9
172.99423	28.9
173.04500	1.7
179.05672	1.5
181.07347	1.6
186.97345	4.2
191.02005	5.3
191.05629	100.0
206.95763	1.1
210.94977	12.5
212.96613	5.4
215.00571	5.8
223.28542	1.1
226.72495	1.3
228.97752	8.2
230.97662	1.8
266.94003	20.2
284.95023	19.6
290.91611	4.3
302.69537	1.1
326.96118	10.7
327.09387	56.0
333.33224	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83152	1.2
55.01882	1.7
57.03464	1.5
59.01385	49.7
66.75256	1.0
71.01376	22.5
72.99306	9.2
73.02944	30.5
73.03349	1.1
73.33102	1.1
75.00871	28.0
75.01254	1.7
78.95907	2.7
79.51367	1.0
85.02956	23.6
87.00876	40.3
89.02450	23.2
93.03465	4.8
99.00900	1.9
101.00973	6.7
101.02432	11.7
102.05595	2.0
103.04041	1.2
111.00890	9.1
113.02486	8.6
114.98917	3.6
115.00380	1.2
117.00465	2.6
117.01945	2.1
119.03506	6.9
126.98942	1.2
127.04087	1.8
127.05148	6.6
128.03560	2.4
129.00461	4.6
129.01912	1.6
130.98390	4.6
135.03009	37.6
136.25244	1.1
136.94971	2.1
142.97569	2.0
145.06210	26.9
145.09882	1.5
146.04591	8.1
148.94997	4.9
154.98366	4.1
166.97517	1.9
172.99423	28.9
173.04500	1.7
179.05672	1.5
181.07347	1.6
186.97345	4.2
191.02005	5.3
191.05629	100.0
206.95763	1.1
210.94977	12.5
212.96613	5.4
215.00571	5.8
223.28542	1.1
226.72495	1.3
228.97752	8.2
230.97662	1.8
266.94003	20.2
284.95023	19.6
290.91611	4.3
302.69537	1.1
326.96118	10.7
327.09387	56.0
333.33224	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0879
Annotation	Garvin C
Peak:m/z	Relative Intensity
50.52842	0.5
58.80089	0.5
59.01379	0.5
59.50075	0.4
71.01398	4.1
82.79629	0.6
93.03454	11.1
106.04253	3.2
107.05038	0.9
108.02241	0.7
109.02973	1.0
119.05027	100.0
121.02948	0.8
131.05029	0.8
132.05811	4.1
141.98500	0.5
145.06613	6.8
146.03757	1.0
147.04556	0.7
163.04024	46.9
164.19162	0.5
177.05608	2.1
197.09685	0.6
210.06877	5.2
211.07678	55.9
221.09740	2.5
222.77847	0.6
237.09239	8.0
239.10815	5.2
283.09784	45.8
327.08801	53.9
328.09213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	25.9
60.01724	3.1
61.98841	8.2
67.18816	0.2
71.01408	0.4
73.77874	0.2
85.36228	0.2
87.00884	0.3
92.02551	0.3
92.10135	0.3
93.03433	0.4
106.30500	0.3
107.03645	3.1
134.04733	100.0
146.02489	0.3
148.04854	0.3
161.06090	0.3
177.75739	0.2
191.05486	0.3
234.42613	0.3
266.08914	2.3
266.13220	0.6
296.20486	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03685	0.6
58.16769	0.6
59.01385	7.6
59.01642	0.7
59.47039	0.7
71.01403	3.1
72.99327	2.8
73.02950	1.4
74.08280	0.9
75.00892	3.5
81.03490	0.8
85.02985	0.8
87.00871	27.3
87.01353	1.0
89.02442	1.5
92.10715	1.0
95.47952	0.7
97.24104	0.6
99.00898	4.5
101.02452	2.7
105.01942	31.4
107.05029	2.8
117.01971	1.4
117.03470	1.0
125.02471	1.1
134.03760	8.6
135.02934	3.1
135.04533	100.0
147.03009	5.4
165.04056	94.2
179.03520	38.7
202.97308	0.7
327.07324	1.2
346.78012	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2752
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
59.01383	1.1
60.03260	0.8
65.49992	0.8
70.30455	0.8
74.06884	0.8
78.50101	0.8
98.05757	0.8
123.75303	1.1
134.54477	0.8
183.01227	5.0
206.35657	1.0
265.21716	8.5
265.25156	1.3
307.66998	0.9
325.18866	7.7
325.27527	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	326.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95003	0.3
59.01397	12.5
60.01729	1.5
61.01819	1.9
61.98845	100.0
70.85212	0.4
72.99319	0.5
75.00903	0.5
100.27843	0.4
100.51487	0.4
102.02745	0.3
107.03654	2.2
134.04741	82.0
146.02455	0.7
147.32936	0.4
210.04906	0.5
266.09027	2.2
267.95413	0.5
318.37225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2025
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
59.01391	46.7
70.12020	5.7
71.01390	14.7
92.10828	13.2
102.97932	7.3
111.08181	32.7
121.02972	9.2
127.07682	9.1
127.11235	7.5
135.51292	7.3
136.23709	8.5
153.09250	6.9
155.10863	8.4
171.10289	61.7
178.49670	6.8
185.11867	56.7
197.11896	17.3
201.11330	45.6
201.50046	7.1
209.11815	32.8
248.22975	6.8
266.18698	8.1
289.18185	12.2
307.19171	40.2
325.20270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72846	14.6
58.56864	15.9
59.01397	96.9
71.01421	16.1
76.58431	15.2
79.69605	16.9
92.80268	14.7
92.84673	15.3
96.83219	15.2
103.02190	20.1
121.06573	18.2
135.08177	28.0
171.10275	100.0
185.11858	35.6
191.03566	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	325.2025
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
50.93867	5.0
56.44549	4.2
59.01391	28.3
76.45200	5.0
86.98751	4.6
97.06619	9.2
99.08186	8.3
107.60984	5.1
134.07712	4.8
145.18706	5.2
152.93283	4.7
167.14421	52.5
171.10402	5.0
193.15938	44.1
193.48108	5.1
207.17528	49.9
231.17555	5.3
249.18613	95.3
275.16507	19.6
281.21265	60.2
289.56830	5.1
291.74527	6.0
293.17639	30.1
307.19199	100.0
325.20374	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	325.2178
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01390	0.5
60.00569	0.3
69.92384	0.4
78.87882	0.4
87.84654	0.4
92.10132	1.6
100.37859	0.4
108.89318	0.5
118.84382	0.4
123.43668	0.4
128.27504	0.5
138.72266	0.4
149.09743	92.6
150.10008	0.7
163.11307	100.0
164.11613	0.6
183.01245	2.4
209.04532	0.5
211.86867	0.4
220.57504	0.5
325.18655	3.9
325.21799	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35300	2.4
57.03472	11.6
59.01390	25.7
60.18902	2.0
65.03997	2.5
65.85042	2.2
69.03477	4.1
71.01407	3.0
71.05051	10.9
74.08711	2.2
81.03471	2.8
83.05042	18.3
83.89752	2.6
84.02184	4.3
85.02967	3.2
88.38049	2.2
93.03492	3.7
95.05049	4.3
97.02937	3.1
97.06601	11.3
100.06789	2.3
106.04266	4.0
109.06607	5.5
111.04534	9.7
113.06073	3.4
121.02985	10.3
123.08205	12.2
125.18706	2.3
127.07719	3.1
134.39806	2.4
135.08142	4.4
153.09229	5.1
163.04054	2.5
163.11369	4.2
168.07993	2.5
171.10300	53.1
185.11948	3.8
193.12309	2.9
209.04597	5.9
209.11876	47.5
211.13498	5.8
221.11852	3.8
227.12994	5.8
235.13498	3.7
237.15009	3.2
245.19012	3.7
249.14951	4.8
287.22202	3.2
289.18137	15.7
307.19241	19.6
325.20282	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11975	2.4
53.81644	2.2
53.93687	2.0
54.55478	2.2
57.03463	3.0
59.01402	14.0
71.01398	11.7
71.05042	2.9
72.69614	2.5
81.33179	2.6
83.05035	12.5
84.02166	4.0
92.10164	5.1
95.05028	2.9
97.06632	4.2
99.08176	3.0
117.89871	2.7
121.02938	4.3
123.08130	3.5
125.09734	4.8
127.07639	31.2
139.07619	4.4
153.09258	13.8
155.10738	3.0
163.11322	6.1
165.12889	2.9
171.10310	14.1
185.11839	28.2
197.11848	28.4
209.04535	3.8
209.11855	81.5
238.12140	5.3
255.84715	2.9
289.18161	13.8
307.19186	100.0
325.20255	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66769	14.3
58.48967	12.2
59.01389	66.5
61.98859	20.2
65.94081	12.3
69.03459	17.3
74.59309	13.0
78.67944	14.5
81.03452	21.4
83.01421	28.3
83.05051	28.9
87.59772	13.5
92.10159	19.8
95.05036	21.1
97.02972	16.7
97.06602	59.7
121.02936	21.3
123.04585	29.4
125.09750	100.0
138.92567	14.8
149.05994	15.9
157.02745	15.8
158.04536	15.1
165.12782	16.5
167.10890	28.5
185.11835	15.5
207.10294	16.0
209.11897	88.9
225.11456	18.7
289.18280	17.7
304.81506	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	325.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11754	8.6
54.38634	8.8
59.01397	71.5
60.38607	8.2
61.98843	52.4
65.00335	11.7
68.98297	10.9
70.70615	10.4
73.81332	9.6
74.07093	10.0
77.98303	9.6
80.02673	11.5
85.65747	12.3
86.51811	9.3
91.31515	9.4
92.10791	22.0
92.65028	10.0
95.05056	14.1
106.04235	15.0
109.22555	10.6
119.92575	12.3
121.02997	14.6
125.09699	24.5
128.37758	10.9
134.06151	14.5
135.08189	82.7
137.09790	13.1
151.91008	13.7
164.07217	14.1
169.08693	15.1
171.10266	100.0
185.11821	11.4
191.03563	12.8
209.04657	22.6
211.13487	12.3
213.77403	13.2
217.05405	10.7
245.19029	14.2
273.32886	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	325.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98911	0.6
54.66604	0.6
59.01390	2.8
64.35057	0.7
64.92184	0.6
65.96322	0.5
71.01390	3.3
71.05025	0.7
72.99281	0.6
73.02955	0.6
80.02704	3.0
81.03463	1.4
83.05031	7.3
84.02186	3.7
95.05039	2.8
97.06576	1.0
99.08183	1.2
104.44064	0.6
109.06586	1.3
125.09784	1.2
127.07642	6.4
135.08159	1.4
137.09692	0.9
139.07594	0.8
155.10843	0.9
161.03778	0.6
163.11334	7.8
165.12843	3.0
181.12248	1.1
185.11856	8.9
191.03429	0.7
191.10748	2.2
195.10219	1.2
197.11844	10.4
209.11867	100.0
210.12245	0.9
227.12837	5.0
238.12135	3.0
256.13120	1.1
289.18143	4.0
307.19226	35.1
309.57144	0.6
325.20273	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1143
Annotation	H disaccharide
Peak:m/z	Relative Intensity
51.48273	0.7
53.98840	0.8
54.82667	0.9
54.90878	0.8
55.01887	1.7
57.03459	24.9
58.00611	1.2
59.01390	77.7
61.19419	0.9
67.00840	0.9
71.01385	70.2
72.99320	11.0
73.02953	11.0
75.00883	1.1
83.01412	1.6
85.02968	7.1
87.00882	9.2
87.04539	1.2
88.01228	0.9
89.02452	21.7
92.10117	1.8
97.02912	1.2
99.00893	20.0
99.04527	14.7
101.02448	25.7
112.98811	6.1
113.02468	4.4
115.00382	67.3
117.01949	5.0
119.03522	5.0
119.05022	2.0
125.02469	3.9
133.01445	100.0
133.05070	17.7
142.99883	36.4
143.03523	2.2
145.01457	1.8
147.03000	2.2
147.04543	5.6
147.06644	1.5
152.54308	0.9
161.00948	15.0
161.04585	8.3
163.04050	1.8
163.06116	16.4
179.05675	1.3
181.07216	55.2
191.03526	16.2
203.59148	0.9
209.04601	17.2
223.08263	5.7
325.11554	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	325.1145
Annotation	H disaccharide
Peak:m/z	Relative Intensity
50.00248	0.7
55.01884	1.3
55.19878	0.8
57.03459	17.7
58.00595	1.2
59.01390	100.0
64.33768	0.6
71.01385	43.2
72.99326	1.5
73.02943	6.5
83.01416	0.9
85.02959	9.3
87.00896	3.2
89.02446	39.1
95.01392	1.3
99.00893	5.2
99.04523	12.5
101.02444	27.0
112.98793	1.4
113.02458	12.1
115.00383	3.2
119.03520	9.5
125.02441	3.1
131.03522	1.7
132.94778	0.7
133.05025	0.8
142.99889	10.5
143.03543	3.7
161.00925	3.3
161.04568	9.0
163.06110	11.4
179.05669	5.2
180.89017	0.7
181.07211	38.1
181.08833	1.2
184.15714	0.7
223.08290	3.0
295.18753	0.9
325.11600	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82926	0.4
55.01878	0.5
58.59702	0.4
59.01388	100.0
59.70211	0.4
61.39450	0.4
66.04658	0.4
67.07635	0.4
71.01381	3.7
73.02956	0.8
84.72321	0.4
85.02962	2.1
89.02454	0.6
92.10815	0.6
96.55552	0.5
101.02431	4.0
108.83546	0.5
113.02489	0.9
115.36880	0.5
119.05022	2.4
147.55286	0.5
161.04570	3.2
163.03981	0.6
176.65196	0.5
227.40070	0.5
265.12967	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	325.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.4
55.06917	0.4
59.01389	100.0
61.97701	0.5
71.01379	4.2
73.02950	0.9
83.01408	0.5
85.02973	2.3
89.02447	0.6
101.02462	4.4
113.02471	2.0
119.05041	1.9
161.04549	4.7
212.26151	0.5
213.86859	0.4
265.12991	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94744	0.2
54.82942	0.3
56.59219	0.2
58.58092	0.2
59.36261	0.2
71.01385	1.2
72.99319	1.4
89.87522	0.2
92.10030	0.2
93.03418	0.3
119.05029	100.0
120.05410	0.4
135.04550	0.4
147.04524	1.7
163.04022	43.3
164.39174	0.3
191.03531	5.1
209.04576	8.2
278.47086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0933
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
50.56710	0.4
59.01390	8.0
60.14175	0.4
60.38346	0.4
67.25773	0.5
69.24984	0.4
71.01390	4.4
72.99284	0.5
85.02973	0.7
89.02458	2.7
107.17317	0.4
117.03469	26.9
117.04277	1.0
119.05030	5.6
145.02969	100.0
161.06146	0.9
163.04045	5.9
187.04117	1.8
191.03575	0.6
209.04625	1.7
265.07220	1.2
274.63092	0.5
325.09286	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	325.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	9.3
71.01382	4.3
72.99300	0.5
74.38622	0.2
77.77470	0.2
85.02969	1.9
89.02450	2.8
92.10876	0.7
97.92104	0.3
99.00891	0.2
101.02460	1.7
113.02467	1.6
113.14638	0.3
114.34695	0.3
117.03472	28.7
119.05021	4.8
121.02987	1.1
133.06606	1.0
137.82722	0.3
145.02971	100.0
146.03293	0.4
159.04474	0.4
161.06145	1.3
163.04033	6.3
187.04044	2.3
189.10783	0.3
191.03522	0.6
205.05174	1.1
209.04582	1.4
265.07306	1.1
299.30774	0.3
325.09113	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	325.0935
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
50.19044	0.2
51.49251	0.2
54.10027	0.2
56.02355	0.2
56.54848	0.2
56.94260	0.2
59.00114	0.2
59.01391	27.1
67.93372	0.2
68.78062	0.2
71.01384	3.0
72.99316	0.3
73.02951	0.9
83.01397	0.3
85.02950	1.6
89.02447	0.9
93.03463	0.4
95.05038	0.3
98.95693	0.2
101.02447	2.5
105.03463	1.4
113.02447	1.3
117.03445	0.2
119.05025	100.0
120.05362	0.5
133.02965	5.2
145.06841	0.2
147.04553	0.4
161.04561	2.0
161.05757	0.2
163.04025	44.6
164.04250	0.2
177.01973	2.0
191.03557	0.9
209.04570	1.2
250.69173	0.3
256.47357	0.2
265.12936	5.8
325.09149	0.3
339.67264	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82951	0.5
57.03463	0.7
59.01387	2.5
59.48586	0.4
70.48225	0.4
71.01385	2.1
72.66228	0.4
72.99326	0.5
79.34543	0.5
86.00092	1.0
87.00877	2.9
94.59132	0.5
99.36370	0.5
119.05043	1.1
121.02960	100.0
122.03286	0.7
129.01926	4.8
131.03555	0.7
135.04543	1.1
163.04004	0.5
165.52477	0.5
205.05112	0.5
209.04518	1.1
226.38071	0.5
236.37025	0.5
257.44421	0.5
310.26068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2593
Annotation	15-HEDE
Peak:m/z	Relative Intensity
54.16251	1.2
54.82866	1.1
54.87416	1.2
59.01387	5.4
60.86581	1.4
72.93835	1.3
73.62804	1.2
83.05045	6.9
85.06594	12.2
91.80157	1.4
122.85254	1.4
123.88354	1.6
126.90369	1.3
128.09505	1.4
225.51462	1.5
277.25290	1.4
279.26978	100.0
287.70404	1.4
305.24875	8.3
323.26016	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2599
Annotation	15-HEDE
Peak:m/z	Relative Intensity
53.86480	11.9
54.09491	11.6
59.01389	35.1
65.47118	15.1
74.28238	13.9
76.57628	13.1
80.04560	15.9
84.02511	13.2
90.20779	14.8
93.25329	17.4
103.23938	13.7
122.53634	15.0
182.88831	14.7
199.59773	16.1
255.23297	35.2
279.26898	100.0
322.08170	16.1
323.25919	67.8
347.59512	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	324.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	97.9
88.71909	78.2
92.10770	91.5
134.87250	69.8
135.08144	100.0
136.08626	84.4
151.58580	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04837	0.5
54.11948	0.6
59.01400	3.3
59.47752	0.6
61.91027	0.6
65.83647	0.6
71.01382	9.8
72.99315	14.2
78.83046	0.7
81.27099	0.6
85.02980	0.6
102.18333	0.6
105.52508	0.7
108.94094	0.6
115.00396	3.4
117.03493	3.4
119.05033	100.0
121.02934	0.9
135.04544	2.7
145.02979	9.4
147.04550	15.0
161.06223	0.8
163.04034	51.0
191.03532	42.0
191.05318	1.4
197.12048	0.8
209.04587	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83801	3.3
51.93963	3.5
55.23506	3.6
55.93783	4.1
57.03445	3.5
59.01389	33.3
64.68507	3.7
69.03458	7.5
107.66381	4.1
119.08644	26.6
125.09740	4.9
126.27056	4.8
129.47842	4.8
136.98837	4.0
137.09727	34.5
171.10291	60.6
176.83519	4.7
273.18643	25.4
291.19675	38.2
305.21277	25.5
323.17105	4.6
323.18552	6.0
323.22311	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	323.223
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.33453	10.1
59.01392	65.1
67.46153	10.3
78.82112	10.2
81.94725	11.0
120.28081	11.1
121.02885	11.4
121.10265	16.6
121.66261	10.6
125.09727	11.0
133.22154	12.3
165.89169	13.0
171.10243	11.1
185.11772	19.5
193.97723	11.7
219.32420	10.5
223.13324	14.7
291.19623	100.0
305.21259	72.8
323.22327	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1869
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03458	5.9
59.01400	15.6
59.16471	0.9
60.61358	1.0
61.98844	1.8
63.05980	1.1
69.03468	1.7
71.05025	100.0
71.15829	1.1
77.03577	1.2
80.02679	1.6
81.03474	7.1
83.05048	7.8
88.31673	1.0
92.10163	2.4
93.03475	5.0
95.05035	21.7
95.47957	1.0
96.96049	1.1
97.06622	2.9
106.04250	2.2
107.05024	2.3
108.02168	2.8
109.02961	7.3
109.06593	11.2
110.03808	3.7
111.04540	10.3
111.91266	1.4
121.02974	2.4
121.06611	8.8
122.03735	2.1
123.04517	5.6
123.08228	4.2
125.09705	4.4
133.06616	7.8
135.08170	6.6
136.05312	1.6
151.07646	18.4
153.09286	2.1
161.09705	1.9
165.09212	5.1
165.12833	1.7
171.10280	34.2
171.36143	1.3
185.11841	5.5
189.12866	10.8
199.13316	2.0
203.14323	1.6
205.16058	2.5
211.13420	6.6
232.80891	1.2
233.11775	2.8
243.17484	14.0
247.13506	1.5
249.15065	9.5
251.44347	1.2
287.16583	46.3
305.17688	25.5
323.18668	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61510	1.8
59.01394	15.3
67.84189	1.6
79.86854	1.8
83.76276	1.7
123.94940	1.8
305.21283	100.0
323.22391	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	323.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88157	2.3
56.51014	2.3
57.03471	16.5
59.01394	27.9
61.98837	5.1
69.03489	2.4
81.03463	4.6
83.05027	3.0
92.87031	2.5
93.03459	2.6
95.05032	74.3
97.06622	10.7
100.21671	2.6
109.06602	13.9
119.05004	4.0
121.02983	3.1
123.08199	3.2
125.09744	30.6
135.08174	56.4
137.09743	2.5
163.11282	12.1
171.10289	5.6
179.14459	10.1
185.11850	14.5
207.10291	10.0
209.11867	4.8
219.17790	2.8
223.13412	100.0
243.17581	3.1
248.72058	2.5
263.16385	3.1
265.14462	29.9
287.16470	6.1
305.17700	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	323.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86797	8.7
52.63238	7.2
59.01376	70.8
61.98822	9.9
71.05027	100.0
74.09875	10.5
82.68587	9.3
95.05028	45.5
107.44906	8.4
109.06594	44.0
115.43118	13.2
121.90887	9.8
127.86338	9.5
130.33336	10.8
135.08104	11.9
153.41129	8.5
161.06065	9.4
175.83542	9.3
189.12840	19.9
237.15009	15.8
249.15051	12.6
287.16483	40.7
305.17538	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	323.1869
Annotation	Albocycline M-1
Peak:m/z	Relative Intensity
54.53336	3.1
57.03473	5.4
59.01384	35.1
61.96075	3.5
69.03482	3.6
70.15073	2.9
71.01366	3.8
71.05038	15.4
81.03477	7.6
83.01411	20.7
83.05048	8.4
92.10853	6.4
93.03484	6.0
95.05044	16.6
97.06607	24.0
99.18982	4.1
99.80388	3.7
110.69573	3.6
121.02991	4.2
123.04520	7.7
123.08205	5.0
125.09746	37.2
135.08180	22.9
141.12883	4.1
147.02103	3.9
163.11273	8.5
185.11836	21.1
191.10809	14.2
209.11893	100.0
220.77168	4.9
237.14983	4.5
243.17587	6.0
247.13445	4.7
265.14453	8.7
287.16519	4.8
305.17654	14.8
323.18665	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	323.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.5
59.01385	9.3
63.35279	0.7
66.77027	0.8
69.03460	81.6
70.09955	0.8
71.01411	1.0
83.32136	0.9
87.00845	0.7
89.60789	0.8
93.03457	78.3
95.01389	1.3
97.02950	16.3
99.00875	21.4
119.05022	3.2
126.54108	0.9
126.79543	0.9
135.04482	0.8
135.19832	0.7
136.07686	1.2
137.02454	100.0
137.07962	1.6
141.01953	6.6
163.04027	3.3
185.00938	33.5
260.14871	1.0
323.03970	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82562	0.5
55.01894	0.5
57.03461	1.9
59.01386	25.5
71.01381	5.6
73.02947	61.7
76.27262	0.4
76.72969	0.4
77.95178	0.4
78.95913	0.8
81.03470	0.7
83.01392	0.6
83.81010	0.4
84.02232	0.4
85.02959	2.8
87.00890	0.5
89.02452	2.7
97.02898	0.7
97.06574	1.0
99.00879	10.2
99.04494	0.9
101.02449	2.8
109.64525	0.4
113.02470	1.8
115.07719	0.4
116.92931	0.7
117.01942	100.0
118.02269	0.5
127.34238	0.5
131.03546	0.9
143.03505	3.9
161.04524	2.1
167.41896	0.5
173.12721	0.5
187.06131	2.2
263.06131	0.5
272.01022	0.5
275.18097	0.4
323.13568	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17886	0.7
55.01900	0.9
57.03474	1.1
58.00612	1.5
59.01392	100.0
59.34845	0.8
60.98466	0.9
64.08872	0.8
67.53822	0.7
71.01385	41.6
72.99324	1.4
73.02956	0.9
83.01414	1.8
85.02953	11.0
89.02448	38.6
92.10181	1.1
95.01415	4.0
99.08204	1.2
101.02444	25.4
113.02454	14.7
119.03513	15.4
129.75484	0.9
131.03471	0.9
135.86099	0.7
179.05658	1.9
203.08311	1.3
294.90326	0.8
301.21756	1.1
323.13550	73.8
324.13220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15757	0.4
50.84097	0.4
59.01386	100.0
67.51303	0.5
71.01384	3.0
85.02976	0.8
85.32630	0.6
87.00886	3.8
100.98810	2.7
101.02464	1.9
107.42300	0.5
113.02473	0.6
121.02975	2.4
127.99892	2.9
135.04492	0.7
261.13327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82488	2.6
57.03456	6.3
59.01388	34.9
71.05026	22.1
71.47956	2.7
74.70811	2.7
75.56400	2.5
80.02702	4.9
81.03474	18.3
83.05037	4.8
93.03461	25.8
95.05026	91.5
97.06601	15.8
107.05045	16.5
109.05982	2.8
109.06575	22.3
111.04562	6.4
121.02979	21.8
121.06525	2.5
122.03754	2.5
123.04523	6.7
123.08145	16.0
125.09729	51.3
135.04556	12.2
149.06105	11.1
151.07671	100.0
167.07133	4.5
168.93727	3.5
171.10266	13.6
178.06393	4.9
185.11842	22.5
185.35493	2.8
205.12370	3.3
219.13954	5.0
223.13474	3.4
263.13101	4.0
265.14569	28.6
267.36118	3.2
303.15979	10.7
321.17181	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	321.2076
Annotation	(plusmn)8-GINGEROL
Peak:m/z	Relative Intensity
52.68693	0.5
59.01389	100.0
71.49587	0.5
86.04228	0.5
86.29729	0.5
88.83871	0.5
96.17239	0.5
96.21456	0.5
112.19051	0.7
119.18784	0.6
141.01791	0.8
321.20789	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	322.0575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45509	0.9
59.01388	21.1
65.99863	1.6
69.03458	1.2
71.01393	2.5
72.99313	22.3
75.34214	1.0
83.01395	1.9
84.00920	2.0
85.02995	1.5
87.00878	100.0
100.98133	2.5
100.98808	73.4
101.02452	1.9
111.00887	2.4
117.98303	1.2
119.76239	1.2
121.02962	41.4
127.99905	57.4
129.01833	1.4
135.04530	30.1
163.04050	4.1
167.50261	1.1
187.11423	1.2
208.14066	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99541	2.6
61.98866	3.5
77.18259	3.5
146.22267	4.0
225.07773	3.4
279.23297	100.0
308.01993	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	321.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84361	0.5
59.01389	7.1
71.01385	26.6
92.65363	0.8
106.04267	7.8
112.43225	0.6
115.00372	12.1
133.01447	4.5
138.03201	1.2
161.09734	57.2
205.08728	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	321.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04374	0.4
59.01389	100.0
71.01389	0.7
82.29091	0.5
85.02946	1.1
87.35047	0.5
92.10102	1.6
93.03463	0.7
93.84700	0.5
99.04521	33.5
101.02470	1.0
113.02455	2.4
161.04594	1.0
179.05685	0.6
191.05676	1.1
192.22063	0.6
261.09628	0.8
286.80954	0.6
308.86050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33690	0.3
58.02660	0.3
59.01389	100.0
61.96400	0.3
70.95444	0.3
71.01392	1.7
72.01826	0.4
73.02942	0.5
83.01424	0.4
84.76338	0.4
85.02960	0.8
92.10803	0.9
101.02454	1.7
101.77186	0.4
109.18842	0.3
113.02489	0.4
113.52444	0.4
119.83737	0.4
134.03691	1.6
152.11821	0.3
153.08318	0.4
161.04568	0.5
163.76419	0.4
164.25954	0.4
176.38258	0.4
178.02765	1.5
193.05081	1.8
201.66743	0.4
226.02835	0.5
261.13470	3.7
321.15671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82937	2.4
58.10113	2.7
64.80309	2.2
89.22188	2.8
102.76466	2.6
112.22971	3.0
113.35415	2.6
129.93953	2.3
138.25963	3.0
141.33759	2.5
153.68692	2.4
163.80148	2.8
167.01460	2.5
214.27086	2.8
277.21771	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	321.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53037	6.8
53.76476	7.5
59.01394	100.0
71.01393	21.4
71.49603	7.6
73.02988	10.0
89.02480	18.4
93.03496	10.7
106.74481	9.0
108.37255	9.7
119.03481	9.5
141.01779	8.4
209.03433	8.3
228.13799	9.2
228.48929	9.0
307.98749	8.5
341.60947	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	321.075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
66.35298	9.2
71.01386	8.4
78.07668	7.9
85.02960	9.7
86.42339	7.8
90.79251	7.7
99.04535	10.4
100.94283	8.4
116.92190	8.2
133.19748	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86856	0.3
59.01378	0.8
68.99577	100.0
69.59795	0.3
71.01372	0.3
96.96007	0.5
112.98575	91.2
131.77142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.5
61.08957	0.5
62.86211	0.5
71.01405	2.9
85.02976	0.8
89.02464	2.7
101.02451	1.3
108.51913	0.7
112.66560	0.5
115.37834	0.8
121.02959	100.0
127.07655	1.2
130.22198	0.6
139.67905	0.6
197.02299	2.9
203.09308	0.9
220.18665	0.6
319.06244	2.2
319.10468	0.7
319.13974	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	320.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48827	0.3
58.93983	0.4
59.01388	12.0
68.99573	2.2
71.01392	0.9
72.99311	1.0
73.02948	69.2
75.00877	0.9
78.95904	0.6
79.53203	0.4
85.38453	0.4
87.00881	4.5
89.02458	0.7
96.96027	2.5
96.96960	0.5
98.02500	0.4
99.00883	9.6
102.18225	0.4
103.00393	0.5
109.38066	0.5
109.98882	0.7
112.98785	3.4
113.02496	0.7
114.02015	0.5
115.00383	14.6
116.07199	1.0
117.01949	100.0
118.98096	1.0
131.03503	0.6
142.01477	11.7
142.47743	0.4
142.99843	0.5
150.04196	1.8
158.08264	0.6
161.00827	0.4
162.87625	0.4
201.47960	0.5
202.03644	0.6
258.57532	0.5
310.70459	0.5
321.08102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68224	0.3
58.00323	0.6
58.00607	16.7
72.02174	0.5
72.99316	100.0
73.02971	1.5
75.00908	0.4
80.54967	0.3
83.25292	0.3
92.10432	2.5
97.06596	0.3
99.08198	0.6
100.00416	45.4
101.99595	1.7
109.06624	3.7
114.56710	0.3
119.46474	0.3
122.68187	0.4
127.07660	11.8
135.03014	1.9
144.03046	0.8
171.06653	30.7
191.01889	0.5
198.07652	1.6
218.03107	2.9
289.09174	0.7
305.16412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.2
55.71353	0.5
57.03479	0.7
57.58559	0.6
58.00608	1.0
59.01390	45.3
64.01918	0.7
65.03980	0.6
71.01389	22.9
72.99324	2.6
73.02929	1.0
75.00871	1.0
78.74743	0.6
79.68404	0.6
80.63947	0.6
83.01408	0.6
85.02956	4.8
89.02455	19.8
95.01452	1.3
101.02450	7.4
109.02982	3.6
110.03316	3.8
113.02463	7.6
119.03515	7.6
121.38921	0.7
123.04537	23.8
124.04865	24.7
136.04056	100.0
138.02718	0.9
153.01981	2.6
153.05612	18.3
154.02313	1.4
154.04788	1.2
154.05956	25.7
178.04350	1.2
179.05640	1.2
180.03864	0.8
185.60397	0.8
194.10219	0.7
316.07422	1.3
316.10736	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.3
71.01399	1.3
72.99304	5.2
75.00872	41.6
82.70142	0.2
87.00876	4.4
89.02439	6.5
92.10181	0.3
115.51408	0.2
117.01951	2.5
133.01471	0.4
135.03011	100.0
182.88353	0.2
232.66528	0.2
260.44974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82536	0.5
59.01380	0.5
61.98837	100.0
62.29993	0.4
63.70773	0.4
64.40082	0.4
71.01381	0.6
87.49004	0.4
89.86659	0.5
92.03672	0.4
98.38914	0.4
98.84679	0.5
121.02971	0.5
135.04559	0.6
145.66330	0.4
146.86775	0.4
199.13403	0.6
209.11839	2.6
227.12918	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	318.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	1.7
55.91161	1.0
56.96434	1.3
57.03464	1.6
58.00619	1.6
59.01393	100.0
60.98816	1.2
64.27850	1.1
71.01392	42.5
71.22263	1.1
71.61529	1.5
72.99308	3.1
73.02970	1.8
74.91730	1.3
75.86644	1.2
78.95918	11.6
83.01385	2.7
84.95132	9.7
85.02964	10.8
87.00908	1.5
89.02446	30.9
95.01392	3.0
96.96034	3.3
96.96973	14.4
101.02444	23.8
107.14033	1.3
108.02174	1.7
109.02409	1.4
110.03313	2.3
113.02472	16.3
114.05630	14.5
114.09261	1.8
119.03501	14.6
120.44221	1.4
134.07732	1.6
138.05621	27.2
146.02501	2.0
153.01620	1.4
156.06694	18.7
170.08165	2.0
189.16211	1.3
200.14146	1.5
209.64366	1.4
318.08203	8.7
318.11966	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	1.1
59.01403	6.0
66.47024	0.7
69.03484	4.0
71.01422	1.1
71.05053	1.3
79.22556	0.7
91.03990	1.2
97.06608	0.9
123.08202	1.3
125.09713	3.0
127.85683	0.6
143.13405	0.7
144.73869	0.7
151.11324	1.8
153.12892	1.6
155.10855	2.7
161.09760	2.5
179.10779	10.9
197.00960	2.9
197.11868	100.0
199.09927	0.8
241.10875	11.0
315.14563	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2543
Annotation	(9R,10R)-Dihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
50.82963	0.9
54.82837	1.0
59.01389	100.0
62.89246	0.9
77.12311	0.8
89.27380	1.0
92.88840	0.9
106.85559	0.9
144.14735	1.1
174.99216	1.3
217.00322	1.9
232.97537	1.1
251.23682	1.2
255.23152	4.5
281.36609	1.2
297.24133	1.1
315.21747	2.1
315.25363	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	15.6
59.01365	0.3
71.01382	0.5
72.02159	0.6
72.99308	100.0
73.02934	0.8
75.00876	0.3
89.02471	0.3
90.38461	0.3
94.02951	0.3
94.36411	0.3
99.08140	1.2
100.00406	42.2
101.99573	2.0
109.06605	3.0
121.70229	0.3
127.07653	11.1
135.02963	1.5
144.03014	1.1
171.06645	28.6
191.01991	0.7
198.07690	2.1
218.03065	2.7
236.83261	0.3
239.18242	0.3
289.09470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01413	0.8
71.01392	15.2
73.02958	2.2
78.24368	0.6
104.98190	0.7
115.00365	9.9
135.08139	0.9
137.09732	7.7
155.10797	100.0
183.54665	0.6
199.09793	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.7
57.03462	0.7
59.01394	100.0
62.59416	0.5
71.01390	10.6
72.99320	0.7
73.02950	1.2
73.19244	0.6
73.37505	0.6
82.03008	0.9
82.42144	0.6
83.01383	1.2
85.02956	5.1
89.02454	0.7
91.01884	0.6
92.10128	1.2
93.03463	21.7
93.04012	1.1
95.01454	0.7
98.02484	0.9
99.00905	0.9
101.02460	5.6
105.02526	0.6
108.59937	0.6
109.02917	0.9
112.04042	1.4
113.02429	4.5
118.98080	0.8
130.08743	7.4
131.50276	0.6
133.01431	0.7
135.04561	1.3
143.11931	8.0
153.01973	1.0
159.03015	0.8
161.04556	11.8
166.72879	0.6
176.04083	3.9
178.99867	6.1
179.03593	0.8
191.05757	1.2
197.00911	5.0
209.12898	1.1
222.24530	0.8
253.11954	1.2
269.11511	0.8
297.10989	1.3
303.18726	0.7
311.37894	0.7
315.07422	0.9
315.12073	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	315.1092
Annotation	3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
56.99269	0.5
58.25629	0.5
59.01390	1.2
63.92790	0.6
65.03958	1.2
66.33712	0.6
67.01904	0.6
68.23309	0.6
71.01386	1.2
75.00881	1.5
85.02962	3.1
90.63776	0.5
93.03458	2.7
94.83794	0.6
109.02216	1.3
109.02964	34.6
109.03691	1.4
123.04532	100.0
129.01987	0.9
135.00882	1.2
135.04546	1.4
137.02489	5.1
153.01976	17.9
153.05597	98.6
154.08754	8.1
177.04027	3.3
179.03555	0.7
181.09834	2.9
193.66158	0.6
195.05104	1.1
249.76543	0.6
257.17316	0.7
315.07245	9.5
315.10886	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	313.239
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
55.86918	1.0
57.03458	1.3
59.01390	7.9
62.43768	0.9
71.01405	1.1
79.86471	1.3
96.96225	1.2
115.00374	6.3
133.01414	10.9
178.99895	7.1
197.00880	4.7
249.22279	1.1
251.23825	90.4
252.24222	1.6
269.24850	1.3
295.22818	35.5
299.23087	1.4
313.23914	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	313.2387
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
59.01141	0.8
59.01373	7.3
61.98829	9.6
62.13728	1.0
71.01386	2.2
74.06029	1.0
85.15805	1.0
86.00286	0.9
115.00349	9.7
121.02879	1.0
127.11249	1.1
133.01418	11.9
155.10777	8.0
166.74675	0.9
171.10260	5.4
178.99855	8.2
181.09560	1.0
197.00890	7.4
225.52713	1.1
295.22885	14.8
313.23898	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	315.0725
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
55.82928	0.4
59.01373	0.4
69.46261	0.4
70.84443	0.4
71.01364	3.5
75.00877	0.7
81.03467	0.7
85.02950	0.7
92.10144	0.6
95.01387	0.6
108.02182	100.0
109.02960	39.2
115.00404	3.2
133.01414	5.8
133.05054	4.6
135.02979	0.8
135.04521	0.9
152.01166	58.9
153.01950	23.0
153.03027	0.5
163.04060	0.7
165.01881	0.5
220.49136	0.4
315.07269	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0727
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
53.74126	0.4
54.87095	0.6
56.01432	0.5
57.03492	0.6
71.01373	0.6
72.27419	0.6
76.56738	0.6
78.56487	0.6
81.31139	0.6
85.02951	0.6
108.02184	100.0
109.02966	37.0
123.04556	1.0
133.02980	0.8
134.66585	0.6
152.01167	58.3
153.01964	22.7
165.01933	0.9
315.07278	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2388
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
53.32969	0.4
57.15217	0.4
57.38689	0.4
59.01383	3.4
71.01399	0.8
78.48627	0.5
85.02947	0.7
103.69063	0.4
115.00413	3.7
125.09718	0.8
127.11282	2.0
133.01442	7.2
139.11363	0.6
141.12877	0.5
155.10785	3.0
171.10292	5.9
178.99811	4.8
197.00938	3.2
210.28325	0.5
254.35159	0.5
267.23407	0.6
277.21750	0.6
295.22821	10.5
311.22247	1.0
313.23904	100.0
314.24164	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	313.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	21.4
57.03465	12.5
59.01387	76.2
59.13523	2.5
64.54823	2.9
71.01381	100.0
71.52356	3.0
72.99346	3.0
73.02959	47.3
75.49873	2.6
78.96255	2.6
83.01401	28.0
85.02953	85.6
89.21642	2.5
95.01408	10.4
96.31420	3.2
99.00896	14.8
101.02442	95.1
113.02464	39.8
159.03043	6.4
161.04541	37.7
195.23787	2.9
269.10400	15.0
313.09222	25.1
339.90552	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	313.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87680	0.8
55.01886	5.6
57.03462	13.7
58.00610	1.5
59.01389	68.8
65.03973	1.0
71.01388	54.1
72.99321	8.2
73.02957	4.4
75.00900	4.5
83.01395	6.4
84.02178	1.5
85.02961	66.1
87.54121	1.0
89.02453	28.1
90.96416	0.9
91.01916	5.3
93.03493	1.6
95.01414	1.9
98.80922	0.8
99.00887	2.0
101.02444	18.7
103.00397	1.0
107.05044	100.0
109.02936	1.4
111.00951	2.1
113.02444	13.1
115.00380	37.8
117.01981	1.1
119.03522	12.6
121.02977	26.1
129.01950	5.3
133.01447	59.1
135.00885	4.1
147.03017	5.6
149.02472	2.5
151.04044	10.8
161.04567	6.3
177.01964	8.3
178.99898	37.7
191.02002	7.1
197.00970	31.1
313.02185	1.2
313.05975	2.0
313.09390	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	313.072
Annotation	Sylpin
Peak:m/z	Relative Intensity
51.73562	0.3
56.06622	0.3
59.01390	2.0
67.52216	0.2
71.01385	0.5
72.99364	0.3
85.02973	0.4
115.00401	1.5
121.02959	100.0
125.09676	0.3
133.01414	2.6
178.99907	1.6
180.05818	0.5
181.06641	4.5
197.00909	1.2
225.05634	5.2
313.07278	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	313.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62216	0.5
55.04532	0.6
58.99625	1.7
59.01419	0.7
70.71490	0.9
71.01392	37.7
72.99353	0.8
85.02978	3.7
102.98587	5.7
111.04543	3.1
115.00383	30.1
121.03018	0.7
133.01428	11.4
135.08150	0.9
153.09229	100.0
178.99915	1.0
191.00198	0.9
197.00912	1.5
197.08224	61.2
201.32361	0.8
298.05505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.0
57.03458	6.5
59.01387	13.0
64.34811	0.7
65.03983	0.7
69.04900	0.5
71.01389	22.3
72.99307	6.9
73.02962	0.7
75.00870	0.7
83.01390	1.0
84.02185	1.0
85.02956	32.9
87.00886	1.1
89.02448	7.4
91.01891	9.1
101.02444	2.8
109.02991	8.3
111.00874	1.6
113.02484	0.9
115.00384	59.8
119.03568	1.2
119.04996	0.8
120.05373	0.8
121.02957	7.4
124.01653	0.7
129.01976	1.3
133.01442	100.0
135.00883	6.4
135.04535	0.8
147.03043	3.5
151.04030	57.6
153.01921	2.9
162.35959	0.6
177.01889	1.4
178.99879	62.6
191.02013	5.0
197.00957	54.5
269.09753	0.6
292.11053	0.8
313.02148	2.6
313.05972	0.9
313.09244	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	311.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68439	0.4
52.11406	0.4
53.42542	0.4
55.46907	0.4
58.51010	0.5
59.01389	100.0
67.86961	0.4
71.01393	1.2
85.02970	0.9
100.89836	0.5
101.02459	1.1
102.29282	0.5
105.84101	0.6
113.02487	0.6
118.80867	0.5
135.38197	0.5
140.09038	0.5
148.68140	0.5
161.04553	0.9
168.62646	0.5
171.16776	0.5
179.87294	0.5
182.61467	0.5
251.11459	2.8
313.84094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2233
Annotation	9(S)-HpODE
Peak:m/z	Relative Intensity
54.29142	1.8
59.01392	17.3
65.63319	1.7
66.91464	2.0
73.47316	1.7
78.22251	1.9
117.51164	1.9
118.07631	2.0
183.01233	56.6
184.02002	11.4
185.11870	4.1
216.00916	4.4
293.21307	27.6
311.16949	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	312.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75277	2.1
50.97842	2.2
53.93004	2.2
54.52273	2.2
59.01386	100.0
64.92544	2.4
68.44822	3.0
71.32359	2.3
73.01720	2.4
73.25450	2.5
81.19269	2.6
109.06268	3.1
133.01434	3.5
171.10316	5.2
172.10611	4.3
229.05632	2.6
244.34792	2.7
252.04010	3.0
294.21579	4.6
312.22714	42.9
316.02341	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	310.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85299	2.2
59.01389	82.6
71.01387	35.9
73.02945	2.9
83.83345	2.3
85.02972	13.9
89.02454	36.8
92.05061	12.1
92.10064	2.7
101.02482	18.4
104.69079	2.4
104.81810	2.2
107.79632	2.4
113.02467	15.0
116.05087	4.3
118.02970	4.6
119.03510	5.2
119.05077	2.5
120.04592	7.9
131.03763	5.5
132.04573	22.4
134.06125	4.3
146.02509	56.8
147.03300	92.5
148.04002	19.6
149.04546	2.2
154.42523	2.6
158.05994	3.2
160.02757	3.0
160.04066	84.6
171.22093	2.5
172.04012	5.0
174.05614	15.9
179.02214	19.2
179.05623	2.8
186.05624	3.2
202.05177	23.3
214.05215	3.4
232.06206	3.4
310.09390	100.0
310.85291	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	310.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45413	2.4
53.53498	2.5
54.82624	2.7
59.01388	88.9
71.01386	41.5
72.99326	4.7
73.02953	2.6
84.74403	2.6
84.94556	2.6
85.02966	18.3
87.00935	3.2
89.02438	31.1
92.05085	7.0
92.10101	7.0
100.27880	2.8
101.02451	24.7
113.02468	14.5
115.93558	3.5
117.80875	2.9
118.03036	4.4
119.03495	13.5
120.04553	7.2
121.02951	5.1
126.03886	2.9
131.03804	4.7
132.04585	15.5
134.06071	3.2
137.02588	3.0
144.04578	4.9
146.02495	70.4
147.03296	91.3
148.04065	37.8
149.29585	3.1
160.04047	92.2
162.05638	6.1
163.54269	3.1
172.04083	6.0
174.05545	16.9
179.02328	27.6
191.05594	5.8
202.05101	25.2
204.06599	3.0
214.05040	6.2
220.06198	4.9
221.48610	3.9
264.58307	3.3
310.09372	100.0
314.66696	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	311.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19317	0.3
51.37746	0.3
51.43944	0.3
51.58887	0.3
59.01388	1.6
59.07425	0.3
71.01380	1.4
75.00889	0.5
87.00877	0.6
92.65989	0.4
93.03460	78.5
99.00923	0.4
111.04556	0.5
119.05036	18.0
121.02996	0.8
125.56681	0.3
129.01953	0.5
134.03729	1.6
135.04495	0.4
137.02457	100.0
138.02777	0.4
155.03558	0.7
163.04034	18.8
173.04593	2.4
185.43622	0.4
311.07809	0.8
330.16309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57626	0.2
52.35432	0.3
54.40328	0.2
59.01382	1.9
63.47040	0.3
64.34224	0.3
65.03996	0.3
67.01903	2.0
71.01390	0.7
71.91862	0.3
87.00831	0.4
92.10708	0.4
93.03458	75.8
111.00880	0.3
111.04559	1.8
121.02980	2.4
134.03772	0.6
137.02455	100.0
155.03473	1.0
162.55386	0.3
173.04561	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0575
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61183	0.2
60.23026	0.2
65.03955	0.3
67.19029	0.2
68.71515	0.2
84.04555	2.2
87.59946	0.3
88.43816	0.2
93.03465	88.0
102.33038	0.3
117.69196	0.2
121.03043	0.3
128.03569	1.3
131.08189	0.3
134.03810	0.3
135.04128	0.4
137.02458	100.0
138.02840	0.3
199.22205	0.3
206.85028	0.3
265.17273	0.3
303.32565	0.3
303.65643	0.3
320.32144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2076
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
51.71637	1.1
59.01389	6.2
97.06621	2.8
102.13046	1.4
112.68248	1.2
113.09690	1.6
115.07700	2.1
136.32909	1.6
141.09210	2.1
151.07619	1.5
152.08409	2.4
165.12819	2.6
167.10706	1.4
181.12376	5.3
183.13947	1.4
209.15459	2.1
211.13454	2.8
240.13748	1.6
247.20705	5.5
263.20087	1.7
265.21680	1.8
273.18613	2.9
291.19705	52.8
309.17300	4.7
309.20740	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	309.2077
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
51.89462	1.5
54.53598	1.5
55.01884	1.8
57.03474	1.5
59.01393	3.6
67.01905	2.5
69.03461	3.8
71.05010	2.0
79.49036	1.7
80.02675	22.3
81.03484	7.9
83.05024	31.4
84.02174	15.7
95.05012	2.2
95.42136	1.7
97.06602	8.7
99.08179	16.6
101.91943	1.8
102.03762	1.8
105.51946	1.6
109.06620	2.3
113.09745	2.6
115.07664	3.2
123.04520	4.3
125.09724	7.7
127.11288	7.3
130.95122	2.0
135.08102	2.8
137.09735	79.4
139.11279	16.1
141.90755	1.6
148.05302	2.7
151.11336	6.6
152.08351	1.8
153.09203	11.8
153.12877	1.6
155.10802	49.7
165.82422	1.9
167.10797	9.7
171.10291	72.4
180.04306	8.0
193.12376	26.1
195.13809	2.3
209.11865	8.0
211.13441	3.8
241.93936	1.7
247.20634	3.4
263.20200	8.5
265.21805	4.0
291.19711	100.0
291.22998	4.0
292.19763	2.5
309.17255	4.5
309.20767	92.3
315.10663	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2077
Annotation	9(S)-HPOT
Peak:m/z	Relative Intensity
54.58293	7.5
54.82932	8.2
59.01398	11.7
63.97810	7.1
66.30185	6.6
71.05029	11.5
74.86513	8.3
77.96488	6.6
82.04143	7.4
86.69992	6.9
97.06629	16.2
119.08676	11.8
121.10255	75.2
125.09750	33.0
133.95183	9.3
171.10286	16.5
183.13922	9.3
185.11858	53.2
197.11967	9.4
247.38298	9.2
262.09052	8.4
275.20197	13.2
291.19681	100.0
309.21112	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	309.2075
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
54.58792	3.1
54.82999	3.4
55.31625	3.4
57.83523	2.9
58.59950	2.8
59.01397	3.4
59.23396	2.6
68.09275	2.6
69.03478	3.1
72.08128	2.9
84.38187	3.4
96.03684	3.0
105.95062	3.2
108.26931	2.9
119.08693	24.6
125.09772	5.4
135.08173	3.7
137.09734	31.1
148.28699	3.3
171.08949	6.2
171.10298	100.0
185.11823	28.3
194.30739	3.3
197.11838	6.9
201.11307	6.7
213.11398	5.8
225.15086	23.0
257.31702	4.1
257.39130	3.6
273.18726	13.3
291.19757	33.8
309.17212	4.1
309.20786	97.9
331.58160	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	309.2076
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.93122	0.5
57.03458	1.0
59.01400	1.3
60.53409	0.5
66.86232	0.6
67.01908	1.6
78.81600	0.6
93.07119	0.9
95.05010	1.2
97.06596	0.9
111.08175	3.3
121.10240	15.7
125.09708	9.4
137.09718	6.6
141.12825	0.7
167.14386	2.4
171.10300	10.3
185.11865	12.4
195.13887	1.3
197.11826	3.7
211.13446	64.2
223.13403	0.7
247.20509	2.5
248.26746	0.7
291.19717	100.0
309.20682	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.75952	1.5
57.03483	2.2
59.01389	1.9
69.03478	3.1
72.26810	1.7
97.06648	1.8
119.08700	16.4
125.09724	7.3
126.96982	1.7
127.11294	3.9
134.36711	1.5
135.08324	1.8
137.09732	25.6
139.11308	2.5
141.12611	1.8
149.09705	1.7
151.11317	1.9
152.08385	2.0
155.10822	2.7
163.47394	2.3
167.10835	4.4
171.10295	100.0
183.10312	3.6
185.11865	24.1
201.11296	4.1
206.51871	1.8
209.15680	2.5
213.11415	4.2
229.19635	2.4
247.98447	2.2
273.18558	10.6
291.19690	37.6
305.76050	1.7
309.17520	3.3
309.20810	44.2
315.75888	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
58.00608	2.4
68.17692	2.7
81.59450	2.7
91.32929	3.1
91.57288	2.7
109.58350	3.0
111.08167	21.5
144.38792	2.9
169.12376	7.3
181.12398	4.7
197.11867	100.0
210.45837	3.5
211.13461	17.3
235.71359	2.9
263.20203	5.1
290.01343	3.1
291.19724	21.9
309.20749	43.5
315.28506	3.0
320.71292	3.4
325.03372	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	309.2076
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
59.01408	1.3
64.35099	0.7
67.36819	0.6
70.07446	0.7
75.38221	0.8
79.95732	9.9
80.02716	1.0
80.96531	0.8
95.95253	0.9
96.96011	100.0
108.94433	0.6
109.84481	0.7
122.40023	0.7
122.97595	3.9
123.08165	3.3
125.09738	1.5
127.11300	1.3
137.09718	1.7
139.11372	1.1
149.34894	0.8
153.09210	0.9
155.10806	7.6
156.64584	0.8
171.10281	14.6
185.11861	14.7
209.15602	1.6
247.20688	1.0
281.21234	1.5
291.19714	4.4
309.17484	94.9
309.20724	6.6
310.17844	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83023	0.6
55.30157	0.6
59.01392	2.9
75.40166	0.7
79.95728	11.4
80.96539	0.8
84.10380	0.8
84.98219	0.7
95.95237	1.3
96.96004	94.1
122.97585	3.7
123.08168	1.1
137.09735	1.1
139.11288	0.8
152.08511	0.9
155.10837	4.8
171.10310	8.2
180.08043	0.8
185.11807	7.1
209.15582	0.8
251.61238	0.8
289.41599	0.7
291.19638	3.0
309.17459	100.0
324.11523	0.7
332.73694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.72033	2.7
68.49947	2.6
69.03472	6.2
71.65832	3.2
83.04998	3.1
97.02955	88.9
97.06570	3.6
106.68764	3.3
113.35446	3.5
119.08659	3.6
121.10214	13.1
125.09721	5.6
136.69272	3.3
137.09747	21.9
150.70268	3.5
151.04031	13.0
151.07611	15.2
152.08456	23.2
158.87601	3.4
171.10312	36.3
185.11845	77.3
197.23518	3.2
209.15578	26.7
221.11916	4.1
252.10057	5.2
265.18015	4.3
291.19693	88.4
309.17090	30.3
309.20728	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	309.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.2
56.64470	0.8
57.03425	0.9
58.00600	0.8
59.01386	100.0
71.01382	32.5
71.05042	1.6
72.99306	1.2
73.02952	1.3
83.01427	1.2
85.02936	9.5
87.00888	1.8
89.02444	33.1
92.10201	1.3
95.01402	1.0
101.02446	21.7
113.02457	12.0
119.03497	12.4
147.06764	1.5
148.10385	0.9
150.65942	0.9
161.04506	2.2
249.09723	2.0
254.93417	0.9
309.11963	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01567	0.2
59.01385	1.3
75.93322	0.2
87.14969	0.2
93.53127	0.2
99.28039	0.2
148.05321	47.3
149.06102	0.6
151.07643	0.4
165.05571	0.5
179.01747	7.5
179.03307	0.3
180.04300	100.0
181.04636	0.5
182.04773	0.4
197.02829	0.4
209.15550	0.5
257.15482	0.5
291.14359	0.3
309.15253	5.3
313.75299	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1198
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
50.63612	0.5
53.24306	0.5
54.15730	0.8
55.01885	0.8
57.03461	1.0
59.01387	100.0
60.97138	0.7
71.01384	15.5
71.05019	1.0
72.99297	1.0
73.02954	3.4
77.47552	0.6
79.79688	0.7
83.01424	1.2
85.02945	8.0
87.00890	1.2
89.02459	10.0
95.01418	0.8
101.02446	13.9
101.06120	5.2
101.76413	0.7
111.87182	0.7
113.02463	5.9
119.03529	2.9
129.05580	9.7
147.06642	15.2
153.38721	0.7
159.06578	1.1
161.04556	6.9
164.19809	0.8
164.29353	0.7
232.98814	0.7
249.09782	8.0
309.08429	1.3
309.11975	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34967	0.4
57.82370	0.4
59.01383	2.9
64.34919	0.5
65.20694	0.4
71.01383	19.9
75.08966	0.4
87.45203	0.4
89.03965	3.2
93.03458	2.1
106.04260	0.6
115.00366	6.5
117.03469	9.4
132.04077	0.4
133.01404	2.0
133.03076	0.4
134.03743	100.0
137.02486	0.9
145.06494	0.4
149.06090	8.0
173.04591	0.5
178.02747	5.1
191.05609	2.1
193.05075	75.2
211.07631	4.0
212.07942	0.5
228.07048	1.3
269.88855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52400	0.6
55.01898	3.5
55.53375	0.6
57.03456	1.9
58.00611	1.8
59.01388	92.9
68.20042	0.7
70.03071	0.7
70.31889	0.8
71.01386	39.0
71.05030	1.2
72.99316	3.6
73.02947	50.1
75.00868	8.7
83.01405	3.5
83.37222	0.7
85.02944	9.1
87.00889	3.8
89.02446	35.3
92.19490	0.9
93.03465	4.3
95.01384	3.3
96.51937	0.8
99.00865	6.8
99.04509	1.4
101.02438	21.5
101.06064	7.4
103.00398	1.1
111.04525	3.3
113.02460	13.7
117.01942	76.8
119.03502	15.2
119.04996	9.2
126.90498	1.0
127.04011	1.3
129.05582	17.4
135.03046	1.3
147.06660	21.5
151.60687	0.8
163.04013	5.3
173.04610	1.5
179.05649	1.2
191.05617	14.9
213.39856	0.8
216.23100	0.7
237.06114	3.0
250.06693	1.9
288.91287	0.8
309.11969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2284
Annotation	Isolinderanolide B
Peak:m/z	Relative Intensity
50.68219	4.2
59.01389	8.0
63.21313	4.9
64.20918	3.9
69.03482	8.3
73.00690	5.1
74.08609	4.0
80.84425	4.8
83.35883	5.2
92.65636	6.4
95.15830	4.6
110.80318	4.5
111.18113	5.1
118.09235	4.7
121.02985	6.3
135.04510	24.3
149.90968	5.0
151.89699	5.6
162.83972	5.6
170.70128	4.8
179.03569	6.3
246.87817	5.5
307.22861	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	309.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
55.78548	0.3
59.01387	5.4
61.70985	0.3
65.90925	0.3
71.01058	0.3
71.01379	2.2
73.02946	59.1
75.00872	0.4
76.57735	0.3
76.94310	0.3
83.01402	0.3
85.02953	0.7
87.00880	0.4
89.02448	1.6
89.94463	0.3
97.14194	0.3
99.00874	8.4
101.02414	0.7
101.06055	0.3
102.66203	0.3
112.98801	0.7
116.92847	0.4
117.01937	100.0
119.04993	0.5
142.99861	0.5
147.06664	0.6
168.41559	0.3
191.05620	4.9
250.06912	0.4
250.73849	0.4
261.79803	0.3
309.12021	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.90635	1.2
53.61121	1.5
54.82988	1.5
55.01900	6.4
57.03472	6.8
59.01390	1.5
63.11432	1.6
65.03976	69.6
69.03463	16.4
71.05026	37.5
71.05365	2.5
75.56348	1.5
82.54478	1.5
83.05064	1.8
84.03761	1.5
97.02972	1.7
97.06593	79.7
97.07200	3.7
99.00974	2.4
104.71716	1.5
119.08673	13.1
121.06593	100.0
123.08170	4.0
125.09734	48.9
137.09772	3.5
185.00983	2.2
185.11864	75.8
209.11897	33.1
211.13425	29.1
233.15099	2.0
235.13419	79.0
289.18127	19.9
307.19202	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	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33085	3.8
57.03452	21.5
58.32664	3.6
59.01383	10.7
59.34779	3.9
69.03459	23.0
71.01369	8.8
73.87553	3.6
83.05037	9.3
97.06600	24.0
104.58931	3.6
109.06593	7.7
111.08156	8.1
121.06582	23.0
123.04543	5.8
125.09717	23.0
135.08167	10.3
151.11272	31.8
153.09267	9.5
155.10767	8.6
160.93179	5.7
163.11320	8.3
165.12863	42.7
167.10768	7.6
171.10304	50.5
179.10733	18.5
181.12347	49.5
183.38960	4.4
185.11841	56.1
188.62151	4.4
191.10750	8.3
209.11893	100.0
211.13478	16.1
227.12880	4.5
245.19107	37.5
261.18619	9.2
263.20255	8.5
279.19666	6.9
289.18042	35.1
307.19229	44.7
312.46994	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84309	2.7
55.01892	4.9
57.03461	3.4
59.01394	6.7
65.03973	80.2
68.93264	2.9
69.03465	36.6
69.91131	2.4
71.05021	64.1
80.49703	2.7
82.65493	2.8
91.58857	3.1
97.02942	6.2
97.06577	78.1
99.00923	4.0
100.01064	3.1
119.08637	27.3
121.03000	5.3
121.06593	100.0
123.08208	3.1
125.09714	55.1
135.08157	7.0
136.41559	2.7
137.09760	5.9
142.39325	2.7
185.00992	12.1
185.11856	83.5
188.84717	2.9
209.11891	32.9
211.13443	39.6
216.40607	2.9
233.15468	3.5
233.17577	3.6
235.13414	88.6
240.19516	3.3
249.15144	3.8
289.18158	34.4
292.30402	2.9
307.19229	24.9
327.99081	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	307.1919
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.97431	4.9
55.01887	8.8
59.01395	33.1
67.99469	5.3
69.03460	100.0
69.03813	6.4
71.01405	7.2
97.02955	30.3
99.00880	32.7
103.59926	4.9
104.26887	5.6
119.64561	5.8
121.02967	32.7
121.06639	7.1
135.04535	13.9
141.01927	12.0
144.33348	6.3
165.12869	14.0
171.10297	10.2
179.03468	8.8
181.12424	14.2
185.00926	28.9
185.11833	25.2
191.10797	8.3
200.53302	5.6
209.11891	42.1
235.99821	5.6
245.19156	8.2
279.19400	6.7
289.18134	25.7
292.68198	6.0
307.19086	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82917	6.0
55.01902	9.6
58.04889	6.1
59.01395	37.5
69.03469	100.0
71.01406	11.0
71.05019	5.6
71.60031	5.8
81.03452	8.6
85.02940	6.9
89.48419	7.0
93.03484	10.4
97.02968	34.1
97.06602	16.2
99.00902	14.0
109.93988	6.7
121.02997	14.7
125.09728	12.9
126.01176	11.9
135.04477	9.2
137.09737	14.7
139.85379	6.8
151.11314	13.4
154.00652	37.6
163.11319	15.2
165.12943	8.5
174.10551	6.7
179.03424	11.8
181.12427	9.5
185.00882	29.7
185.11833	16.2
191.10652	8.3
191.14493	10.2
207.10573	7.2
209.11824	67.4
221.15408	8.5
241.72325	8.0
245.19240	61.0
249.14902	16.0
289.18118	62.8
295.20520	7.7
307.19131	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.44810	2.1
51.75248	2.2
52.42574	2.1
52.75714	2.1
57.03457	21.1
59.01394	15.6
65.86922	2.3
69.03501	15.0
69.60985	2.7
70.10477	2.7
71.01409	17.5
83.05042	5.4
95.05041	4.9
97.06601	29.2
109.06595	3.8
111.08206	15.6
121.02942	4.3
123.04529	10.9
123.08168	4.4
125.09737	11.5
149.09677	4.9
151.11317	29.6
153.12883	3.8
155.10870	3.3
161.09785	2.9
163.11290	13.0
165.12856	33.1
169.12405	3.3
179.10774	10.5
181.12344	55.3
185.00824	2.6
191.10783	23.5
209.11882	100.0
211.13455	5.7
245.19150	29.7
263.20340	5.0
279.19772	3.2
289.18192	31.8
291.14322	3.3
307.19217	41.9
328.74637	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36753	0.4
54.65112	0.4
57.03458	0.5
59.01383	5.6
59.65528	0.5
69.03450	7.6
71.05017	6.9
80.02690	2.4
81.03457	3.1
83.05035	2.4
93.03484	0.7
95.05048	2.8
97.02937	0.9
97.49627	0.4
98.03731	2.4
99.00899	2.1
103.70243	0.5
106.04262	1.0
107.05027	0.7
109.06597	19.2
111.04523	9.7
111.08184	1.1
112.05328	0.8
121.02961	2.6
121.06631	0.8
123.08221	1.6
127.07662	4.6
135.04448	0.6
135.08162	1.7
137.06119	0.6
137.09715	0.9
141.01921	1.0
141.09174	0.5
143.10770	0.9
145.06601	2.2
149.06067	0.9
149.09711	1.9
151.11299	0.8
158.27739	0.4
163.11252	0.5
167.10788	3.3
177.12909	0.5
177.20554	0.5
179.10770	2.1
185.00909	2.1
195.13889	6.4
235.13428	1.7
245.19164	6.1
251.16631	1.5
261.18707	0.6
271.17093	1.7
273.14932	0.5
287.16498	1.8
289.18137	100.0
290.18475	1.0
307.19205	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	307.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.4
59.01394	2.5
59.98498	0.4
69.03464	9.6
74.99065	5.9
91.02222	4.0
92.10282	0.5
93.00137	5.4
96.28841	0.6
96.84103	0.5
97.02956	1.9
99.00910	2.5
100.56372	0.5
121.02995	2.1
129.44237	0.5
149.00949	3.1
159.08478	8.5
161.06404	3.0
185.00925	2.4
206.99702	1.3
209.01350	4.4
217.07091	0.7
223.02882	53.0
223.94666	0.5
225.00847	0.8
241.04045	0.8
279.81335	0.5
289.07571	1.0
291.09149	100.0
292.09329	0.9
307.04529	0.8
307.12228	2.6
309.10181	2.6
328.24295	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01911	0.3
56.48322	0.3
58.00607	2.7
59.01394	100.0
71.01397	1.7
73.02963	0.4
76.03581	0.3
85.02972	0.4
89.02450	0.6
92.10216	0.6
101.02453	0.5
113.02457	0.5
119.03519	0.7
127.07658	1.8
135.04533	0.7
165.27014	0.4
171.06665	4.9
179.05513	0.4
227.37941	0.3
307.13980	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	12.7
69.03465	100.0
72.99328	1.2
79.01926	3.1
80.69493	0.7
85.02981	0.8
95.01418	1.5
97.02953	17.2
99.00878	23.9
100.95702	0.6
101.75147	0.7
108.41270	0.7
121.02946	5.5
141.01949	10.0
143.72766	0.9
174.67294	0.8
185.00946	28.9
201.18671	0.8
293.74881	0.8
307.04700	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	307.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94555	0.3
58.00613	1.8
59.01392	1.8
69.80376	0.3
73.02953	1.9
75.00902	0.7
85.02975	1.5
97.02950	0.4
99.08190	0.4
107.05016	0.9
109.06607	0.4
121.02955	1.9
127.07653	1.6
133.02977	2.4
134.03734	3.5
135.04536	100.0
141.33092	0.4
156.80167	0.4
161.02484	4.5
171.06660	3.8
179.03514	66.9
189.07878	0.5
263.09442	0.6
274.38562	0.4
289.07260	2.0
307.08237	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	307.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.6
57.03455	1.9
58.00612	1.6
59.01387	100.0
68.41762	1.0
68.57910	0.8
71.01383	49.0
71.01778	1.7
72.99313	1.5
73.02946	7.8
73.75816	0.8
74.29517	1.2
83.01398	5.8
83.05048	1.2
85.02956	20.7
89.02444	39.1
92.65506	1.2
95.01403	4.7
97.02979	1.0
99.00892	3.6
101.02449	31.4
113.02453	20.6
119.03492	16.3
121.03018	3.8
127.04008	1.4
135.04530	1.1
141.02005	1.2
143.03554	2.5
161.04558	7.1
179.03636	1.2
179.05621	2.3
193.51720	1.0
221.46223	1.0
222.28061	1.1
307.10403	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08771	0.3
53.79651	0.4
55.97742	0.3
59.01395	6.5
67.63972	0.4
68.99580	6.1
71.01396	2.3
72.99329	4.2
73.02957	1.7
87.00887	100.0
96.96949	2.0
97.02951	0.4
99.00907	0.7
100.00416	0.6
105.61198	0.4
112.98585	4.5
113.98896	1.0
114.01971	16.4
115.00378	5.2
117.01947	4.9
121.02991	1.5
141.01981	0.6
158.95772	0.5
161.00940	5.7
170.00899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08771	0.3
53.79651	0.4
55.97742	0.3
59.01395	6.5
67.63972	0.4
68.99580	6.1
71.01396	2.3
72.99329	4.2
73.02957	1.7
87.00887	100.0
96.96949	2.0
97.02951	0.4
99.00907	0.7
100.00416	0.6
105.61198	0.4
112.98585	4.5
113.98896	1.0
114.01971	16.4
115.00378	5.2
117.01947	4.9
121.02991	1.5
141.01981	0.6
158.95772	0.5
161.00940	5.7
170.00899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63686	0.7
54.82362	0.9
55.01904	0.8
59.01388	1.2
68.99579	17.8
69.03459	20.4
71.01389	4.0
72.99352	0.8
78.95900	16.5
81.21898	0.8
86.83761	0.8
87.00874	11.4
88.01215	3.7
95.01382	4.1
96.96031	11.1
96.96966	26.8
97.02953	26.5
99.00890	4.9
111.00848	1.5
112.98576	15.8
114.01952	1.1
115.02381	1.3
121.02963	100.0
133.01456	1.2
135.04529	3.5
141.01964	28.1
143.85788	0.9
179.03531	2.0
185.00977	8.4
191.05666	1.6
205.03711	0.9
268.33826	1.1
270.19366	0.9
294.86334	1.0
307.04688	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1762
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
54.30156	13.8
57.93520	15.5
59.01394	71.3
67.21054	14.1
86.17406	15.7
117.37004	17.5
127.33730	18.8
135.08154	100.0
149.97931	16.7
155.58606	19.5
161.20871	15.9
181.88631	17.7
203.07956	17.6
212.12352	15.6
249.15056	28.1
254.89844	20.7
305.17621	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1762
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
57.03483	1.3
59.01384	16.0
63.68146	1.5
71.05023	76.6
77.15628	1.4
78.15682	1.7
80.45117	1.4
81.03458	7.0
82.42185	1.4
83.05032	3.4
89.73214	1.4
95.05027	33.6
106.04257	7.0
107.05045	6.1
109.02992	2.0
109.06601	30.6
111.04532	7.6
119.05000	2.9
121.06606	10.6
122.03737	2.1
127.07683	7.3
135.08150	2.8
141.01718	2.4
147.04520	6.4
147.08168	7.5
147.11833	1.9
150.06850	3.3
161.06059	1.8
161.09711	2.5
165.09221	18.4
189.12875	23.8
195.80098	1.4
205.15985	14.2
231.13876	3.0
233.11859	10.7
243.17548	17.4
249.15050	18.1
261.18549	2.5
263.16379	2.2
269.15601	2.5
287.16565	100.0
289.14160	2.2
305.17636	73.9
305.21167	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	303.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82869	2.4
60.29498	2.0
67.76090	1.8
73.46041	1.7
74.62833	1.9
101.10179	2.2
105.37964	2.5
110.83556	2.2
113.98080	2.8
134.04640	2.5
241.21751	4.2
303.23328	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	303.2332
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
50.87260	1.6
65.70709	2.2
72.40281	1.6
74.76385	1.6
77.77202	1.7
120.24228	1.9
128.81612	2.1
138.37408	2.2
139.89392	1.9
303.23361	100.0
303.26849	3.8
329.45975	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	304.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82756	0.8
59.01390	84.8
60.01721	9.5
61.56998	0.7
61.98840	100.0
64.34560	1.0
65.98966	0.7
72.27200	0.7
78.95905	1.0
106.63542	0.8
117.00494	1.6
117.02294	3.8
118.00556	1.9
119.00204	5.3
134.97058	1.0
136.94006	3.6
159.01518	12.6
160.01630	27.4
161.01237	25.4
161.98984	20.0
162.01625	7.1
178.95087	1.2
201.02499	0.9
202.02765	6.4
203.02379	4.9
204.00041	3.6
204.02722	4.4
218.13187	0.9
230.04311	1.0
240.59904	0.9
262.01767	0.9
268.02902	0.8
303.02530	2.1
303.99985	8.4
304.02975	26.2
319.58124	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73632	1.9
55.07319	1.8
57.48666	2.0
57.92873	2.1
58.02985	66.4
89.82639	2.4
92.10787	5.2
115.43841	2.2
115.88436	2.6
146.97597	2.6
168.13959	100.0
178.78120	2.6
193.03014	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	304.2287
Annotation	Samandarine
Peak:m/z	Relative Intensity
52.90000	0.5
59.01392	2.1
61.26508	0.5
61.98824	0.7
73.05759	0.5
74.56425	0.5
75.14149	0.5
76.58302	0.6
79.47218	0.6
86.06125	44.9
165.36763	0.7
262.21701	1.0
282.99612	0.6
304.22882	100.0
305.23190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	41.7
60.27510	1.6
60.27816	1.6
70.30295	2.1
96.96007	100.0
133.02954	5.0
135.04497	3.2
161.55592	2.2
173.41287	1.9
194.26878	2.1
219.12474	3.1
225.11401	21.1
230.72180	2.0
305.07065	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24131	0.8
51.26517	0.7
59.01385	29.5
59.01657	1.6
71.01393	2.1
83.05016	1.2
92.10851	1.2
93.03432	1.3
96.40974	1.0
98.11760	1.1
119.05026	2.2
125.09741	1.0
129.46706	1.0
134.90961	0.9
136.11407	1.0
137.09718	5.3
142.99855	1.5
144.79796	1.0
155.10794	100.0
159.04547	1.4
163.04031	2.2
171.10268	33.2
181.08655	1.8
199.09770	29.8
215.07253	1.0
217.10846	83.4
259.11890	24.9
298.38666	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.3
59.01388	100.0
62.30457	0.4
71.01385	15.3
71.01780	0.6
72.99292	0.4
73.02948	12.0
75.00902	0.4
83.01397	1.8
85.02965	2.3
89.02444	6.5
101.02438	8.0
113.02467	3.4
114.39608	0.4
119.03504	1.7
121.02962	9.8
155.10805	3.1
161.04512	0.5
171.10196	0.7
173.07184	3.0
181.07281	4.2
185.11894	1.9
186.09859	0.4
192.94014	0.4
199.09837	0.7
217.10849	2.7
223.20074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1601
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
53.57909	0.5
59.01393	0.7
65.46961	0.5
66.23573	0.5
73.04316	0.5
77.10825	0.6
121.50182	0.6
138.69966	0.5
139.84167	0.6
150.13844	0.6
152.39462	0.6
224.75821	0.6
286.13699	2.7
301.16010	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	301.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56995	0.1
58.50478	0.1
59.01385	0.9
71.01402	0.1
71.67524	0.1
71.92443	0.1
89.02451	0.3
91.04002	1.0
92.65691	0.1
99.54850	0.1
111.08133	0.2
153.77538	0.1
165.12860	3.1
183.13913	100.0
184.14246	1.0
184.32007	0.1
209.11871	1.5
214.18657	0.1
227.12947	3.5
301.16614	10.8
306.50851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14193	0.1
57.03429	0.1
57.84090	0.1
59.01396	1.0
60.28419	0.1
63.47445	0.1
89.02456	0.3
91.04036	0.6
93.03465	0.2
97.06592	0.2
97.14362	0.1
107.01395	0.2
111.08174	0.2
121.02952	0.2
125.02451	0.1
135.04510	0.2
135.91669	0.1
151.00395	0.7
152.01256	0.2
165.12866	2.7
183.13922	100.0
184.14226	1.1
209.11848	1.7
213.14981	0.2
214.73491	0.2
227.12932	3.3
245.04590	0.3
273.04236	0.3
301.16608	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	301.1664
Annotation	Viridamine
Peak:m/z	Relative Intensity
77.09020	1.2
109.70435	1.2
128.48853	1.3
134.99341	6.4
159.08470	1.5
161.06395	9.9
184.75833	1.3
203.05717	3.0
217.07239	100.0
255.91292	1.4
261.05869	1.6
270.71677	1.4
275.62592	1.4
285.13486	45.1
301.16644	93.9
314.37421	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75616	0.3
51.20074	0.3
52.37875	0.3
53.97326	0.2
57.03460	2.9
57.86300	0.4
59.01390	2.8
64.49852	0.3
65.45721	0.3
65.74282	0.3
67.01891	1.4
70.12060	0.3
71.01382	14.6
71.88525	0.4
72.95988	0.3
83.05035	0.4
85.02961	0.3
93.03466	0.6
96.23065	0.3
97.06590	9.0
115.00375	7.7
123.08171	5.1
125.02431	2.4
125.09725	74.2
126.10026	0.6
136.42601	0.3
143.05005	0.7
143.10808	1.7
145.06618	2.1
147.04544	0.6
169.06578	1.1
169.08719	2.1
171.04544	1.8
173.06090	1.6
185.11827	0.8
187.09776	100.0
188.10120	0.6
201.11327	0.4
202.19958	0.4
215.07166	3.1
241.05035	0.4
243.12483	0.5
259.06082	0.4
261.02579	0.4
285.03787	0.7
303.05182	3.3
303.10989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0358
Annotation	6-Hydroxykaempferol
Peak:m/z	Relative Intensity
59.01391	3.7
63.02402	9.8
65.00321	24.3
83.01397	20.4
92.33905	2.5
93.03456	69.4
95.01386	3.5
107.01423	42.0
110.63768	2.8
117.03467	5.0
119.39641	2.9
121.02954	14.7
124.01654	11.9
125.02445	13.1
130.20793	3.0
135.00833	3.6
135.04503	13.9
137.02496	3.8
138.90872	2.5
145.03032	3.1
151.00389	100.0
152.01176	39.1
153.01941	10.6
159.04564	4.4
161.02428	15.5
161.06210	3.1
163.00400	12.1
164.76935	2.4
165.42328	2.6
168.87035	2.5
169.01453	5.4
173.04489	4.4
176.19000	2.8
178.99887	32.9
180.13075	2.5
201.02353	2.5
201.05705	5.0
206.99425	26.8
208.00134	17.1
215.03671	3.7
227.99831	2.6
229.05060	5.4
245.04578	68.5
255.03145	2.7
257.04581	5.7
273.04105	92.2
301.03665	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	301.0933
Annotation	Tachioside
Peak:m/z	Relative Intensity
59.01389	1.6
60.35040	0.3
64.95312	0.4
71.01380	0.5
73.22174	0.3
74.03391	0.5
75.08592	0.3
78.13362	0.4
85.02972	0.4
91.83192	0.4
92.66093	0.4
93.03455	7.3
94.03777	0.4
95.01423	0.4
112.04066	0.7
121.02963	9.0
123.00891	14.9
123.01754	0.7
123.02785	0.5
124.01734	0.4
137.02460	1.7
138.03241	7.1
139.04027	100.0
140.04240	0.6
167.90088	0.4
181.05136	0.4
203.58856	0.4
301.09531	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	301.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.4
61.93803	0.2
61.98837	100.0
64.34351	0.1
78.95906	0.6
123.41467	0.2
135.04515	0.9
141.74751	0.2
151.00441	0.2
161.02444	0.2
165.01883	0.2
211.13464	1.4
257.17612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.16
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
62.46090	0.5
91.10913	0.5
140.86641	0.6
217.07150	1.2
271.11301	22.8
286.13660	66.4
287.13910	0.7
300.26212	0.6
301.16019	100.0
302.16296	2.3
324.40308	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2593
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.01382	11.6
68.65345	0.9
70.99226	0.9
75.22366	0.7
78.69392	0.8
78.85912	0.8
83.06880	0.9
105.51258	0.9
105.92523	0.9
174.99364	3.2
181.50072	0.8
191.18445	0.8
205.98868	1.0
217.00351	9.3
230.65933	1.0
253.25391	4.1
281.24933	2.0
299.25952	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	300.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34232	0.2
59.01397	0.7
68.01433	1.2
90.31453	0.3
92.23872	0.3
95.05029	0.3
104.19060	0.3
108.08146	0.3
110.39964	0.3
123.03271	17.5
137.04807	1.2
138.05623	100.0
152.07242	0.6
167.05949	0.4
180.06685	2.5
205.49574	0.3
224.55315	0.3
226.00722	0.3
300.10971	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	299.202
Annotation	Sugiol
Peak:m/z	Relative Intensity
51.88215	3.1
53.25735	2.8
59.01394	29.5
63.82119	3.1
64.54019	2.9
74.12475	2.9
76.78002	2.9
84.42336	3.4
141.12889	3.8
174.99216	4.1
186.33968	3.4
194.85780	3.8
198.31447	3.9
217.00372	20.0
233.81596	3.6
271.20233	3.5
271.22964	12.4
299.20288	99.3
299.25900	100.0
320.28189	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	299.2595
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
50.83777	0.9
51.55213	0.9
52.24396	0.9
59.01395	100.0
72.27203	1.0
108.04820	1.1
116.92890	1.5
153.04294	1.3
180.28712	1.0
252.19223	1.2
299.25931	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73215	0.4
59.01389	7.1
59.35312	0.4
70.10269	0.4
70.13177	0.4
72.69309	0.6
135.36903	0.6
174.99275	2.2
179.29497	0.5
217.00293	5.4
253.25388	5.7
281.24933	1.1
297.24298	0.9
299.25955	100.0
301.43060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49316	0.2
52.67294	0.2
59.01385	0.5
62.59195	0.2
65.34184	0.2
71.01375	0.3
73.02958	60.5
75.00877	0.3
76.57564	0.3
83.05415	0.2
89.02462	0.2
93.03481	1.2
99.00893	7.2
116.92854	1.0
117.01950	100.0
118.02309	0.5
121.02968	5.4
135.03081	0.4
137.02484	0.5
137.26730	0.3
181.05110	2.2
181.07014	0.4
209.87015	0.3
276.15781	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01615	1.7
51.73936	1.9
55.01880	2.1
59.01389	100.0
61.98857	3.5
70.93157	2.1
71.01382	48.0
72.09991	2.1
72.99316	3.4
76.37508	2.1
83.01420	2.4
84.94336	2.2
85.02967	18.7
89.02451	54.2
93.03455	24.2
95.01382	4.1
100.58672	2.0
101.02450	25.0
113.02429	17.3
119.03493	19.2
119.05016	36.6
121.02957	25.6
125.60158	2.5
137.02480	27.4
137.06075	3.3
138.05603	12.3
186.66289	2.7
299.07770	3.0
299.11337	3.1
303.74524	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19546	0.6
53.38258	0.6
53.95905	0.6
56.15002	0.7
57.03471	4.7
58.38366	0.7
59.01384	0.9
69.03457	12.0
69.25671	0.7
71.01384	100.0
71.05038	4.4
76.17009	0.7
78.57690	0.6
90.74084	0.7
92.79820	0.7
111.08140	5.8
113.06070	1.3
115.00379	25.3
123.08179	3.0
137.02620	0.7
137.06119	1.0
139.11302	16.1
183.10277	76.9
255.75537	0.8
299.11414	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	299.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	9.8
59.01393	13.4
62.36561	1.0
70.08187	1.2
71.01382	16.4
72.99321	2.0
75.00874	29.7
75.01249	1.7
85.02953	16.7
87.00883	12.1
89.02441	1.9
92.10765	2.3
99.00880	7.4
121.02957	100.0
123.82918	1.2
128.50343	1.2
129.01938	13.9
134.32191	1.3
135.04533	2.8
168.94890	1.4
177.04066	69.6
299.07803	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
65.09801	0.3
71.01393	0.9
75.00910	0.4
92.10761	0.4
93.03467	73.8
97.92960	0.3
98.95288	0.3
99.12688	0.3
107.05018	1.2
121.02948	4.4
137.02457	100.0
149.02475	0.6
151.04033	8.4
177.04085	0.6
179.03531	5.3
209.04733	0.4
242.99326	0.4
246.77460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0777
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
53.36120	0.3
59.01405	1.6
65.03974	0.4
71.01389	2.6
78.63966	0.4
83.01381	0.6
85.02967	2.1
88.95218	0.4
89.02471	0.6
93.03462	94.4
101.02452	0.8
113.02493	0.4
137.02455	100.0
138.05617	2.7
144.15442	0.4
161.19249	0.4
188.84755	0.5
299.07773	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
50.18840	0.5
50.36194	0.5
54.77784	0.4
54.90572	0.4
56.15361	0.5
59.01387	3.6
87.08463	0.6
92.10150	0.6
94.22604	0.5
102.98122	0.5
136.68483	0.5
141.12834	1.3
155.10794	18.4
183.01190	0.8
276.55356	0.6
279.23291	16.9
295.23071	1.3
297.24380	100.0
305.26193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0201
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
53.53051	0.4
54.89852	0.5
59.01402	1.0
60.27193	0.4
63.02405	6.4
65.00065	0.5
65.00323	3.4
67.56426	0.4
68.80303	0.4
74.27562	0.4
83.01427	1.2
96.75605	0.5
98.26141	0.5
107.01394	5.6
109.02962	9.2
115.05551	1.0
115.35496	0.5
117.97909	0.5
121.02919	0.7
125.97478	0.5
133.02956	12.9
135.00912	1.9
143.05045	4.6
145.02992	2.0
147.00929	0.7
147.04549	1.2
149.02509	0.6
151.00375	2.5
155.05095	2.4
157.03011	3.4
159.04605	0.6
161.68500	0.5
163.04053	0.5
169.02957	0.7
170.03758	0.6
171.04553	10.8
171.05913	0.8
173.02428	3.2
175.04028	5.6
183.04579	1.0
187.04059	4.8
188.10277	0.6
189.05583	0.7
197.02466	2.1
198.03252	2.7
199.04028	19.7
201.01968	6.9
203.03574	0.8
213.01904	0.7
214.02858	0.7
215.03548	6.7
226.02850	4.3
227.03546	7.7
242.02264	2.9
243.00667	0.9
243.02986	8.9
249.58228	0.6
271.02527	100.0
282.01883	0.6
299.02014	87.8
300.02435	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2438
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
58.87342	0.4
59.01384	1.7
73.19366	0.3
81.74939	0.5
91.22329	0.3
92.10076	0.5
112.59294	0.4
186.77679	0.4
189.10770	0.4
251.23804	1.8
279.23273	0.9
295.22839	0.8
297.24380	100.0
298.24704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96778	0.3
59.01390	6.4
64.94555	0.3
71.01402	2.1
72.48646	0.4
72.99321	3.1
75.00875	37.3
78.58627	0.3
89.02448	6.7
103.00410	3.1
112.29701	0.4
117.01962	3.1
121.02966	3.0
131.03561	0.5
133.02960	2.7
134.03783	0.9
135.03020	100.0
135.04517	13.3
146.03703	0.4
147.04498	1.4
151.01422	0.4
161.02463	6.1
163.73773	0.4
179.03528	5.6
189.10678	0.4
271.42374	0.4
297.06207	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03475	0.4
59.01394	4.1
60.51316	0.4
67.35347	0.3
71.01400	2.4
72.99316	4.0
75.00875	40.8
85.02986	0.6
87.00894	0.6
89.02444	7.0
99.00890	0.5
107.05015	1.3
108.65612	0.3
109.02986	1.5
117.01932	3.1
118.68906	0.4
121.02917	0.4
131.03519	0.7
133.02937	3.6
134.03778	2.8
135.03017	100.0
135.04514	17.8
161.02466	4.6
163.03984	0.5
170.34508	0.4
179.03529	7.5
297.06177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80482	0.4
59.01390	7.4
71.01387	2.4
72.99303	4.3
73.02965	0.5
75.00873	41.4
83.99651	0.5
87.00862	0.6
89.02435	8.7
97.60686	0.5
107.16888	0.4
117.01935	2.5
121.02965	0.5
122.04417	0.5
133.02933	3.1
134.03745	1.9
135.02998	100.0
135.04500	12.8
148.94878	0.5
161.02460	5.9
172.61406	0.5
177.79329	0.4
179.03551	5.9
189.09305	0.6
204.50151	0.5
219.26099	0.5
297.05850	0.5
308.26871	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2644
Annotation	Phytomonic Acid
Peak:m/z	Relative Intensity
54.98997	1.7
55.87246	1.6
59.01401	4.2
71.58744	2.0
71.59586	1.8
90.00592	1.9
94.55740	1.8
102.94695	1.9
110.35223	1.9
150.42084	1.9
161.53450	1.9
166.23294	1.9
167.24368	1.9
167.72733	1.8
202.87531	1.9
212.31424	1.7
295.23108	3.8
295.26459	100.0
316.32959	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08088	0.2
54.04599	0.2
59.01390	1.9
59.98547	0.2
61.26995	0.2
61.83923	0.2
69.21638	0.1
71.01378	1.0
73.50484	0.2
74.52457	0.2
84.99751	0.2
87.00880	100.0
88.01200	0.3
89.02461	0.4
101.02451	0.8
114.01980	16.8
114.05614	1.8
181.07220	2.9
296.10590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
52.32611	3.9
59.01387	49.1
59.09978	4.2
68.99588	4.2
91.79340	4.8
98.58817	3.8
165.56464	4.2
270.05887	4.4
288.96265	4.4
295.22836	100.0
317.30768	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.96981	9.4
59.01388	100.0
65.74288	8.7
71.01390	9.7
129.06088	11.7
134.67531	9.9
182.98729	11.4
189.52271	10.1
277.21628	38.3
295.22797	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29978	0.5
56.63169	0.5
59.01390	8.4
61.98854	0.6
72.00471	0.8
89.41709	0.6
98.95609	3.5
113.09736	3.1
115.41279	0.6
179.14499	0.7
183.13890	4.5
195.12056	0.8
195.13916	23.1
239.56590	0.7
270.26407	0.7
277.21793	23.2
295.17593	2.7
295.22830	100.0
296.23053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.1
59.55732	0.9
61.98848	1.3
76.18626	0.9
80.11343	1.0
96.74926	0.9
109.62363	0.9
121.02982	1.6
124.67188	0.9
125.09743	5.2
125.75805	1.0
151.11348	1.9
243.53958	1.0
251.23904	1.2
256.78171	1.1
295.22845	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	295.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82548	0.5
57.03469	0.8
59.01136	0.6
59.01377	4.8
60.99320	2.6
65.48167	0.5
67.01898	11.3
68.26836	0.5
69.03466	1.3
69.98102	0.6
70.78499	0.6
71.01398	2.7
72.99318	4.0
76.22562	0.6
83.01408	3.5
83.05051	0.7
85.02957	18.3
87.00882	8.1
92.10735	1.9
93.03461	47.2
99.00865	1.0
99.04523	0.6
101.02480	1.5
106.10368	0.6
111.00891	100.0
111.04533	6.9
119.05080	1.0
121.02961	38.6
122.03280	9.9
129.01939	4.5
135.04541	0.9
140.64790	0.7
149.45642	0.6
154.99869	13.5
155.03522	1.2
164.17572	0.7
173.00934	16.8
173.04561	28.9
191.42679	0.7
199.13182	0.6
295.08240	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	295.2281
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
51.11166	0.9
54.34306	1.0
59.01389	17.2
59.32193	0.9
59.90174	0.9
61.46068	0.9
69.13567	1.0
77.77987	1.0
79.95750	1.0
84.98346	1.2
85.55535	1.0
89.23995	1.1
102.54842	1.1
113.09735	4.5
139.07643	1.3
143.27377	1.1
145.85141	1.3
148.15533	1.2
157.08717	88.4
277.21750	84.4
295.22818	100.0
317.49042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01387	12.3
68.80636	1.2
77.67064	1.3
80.20831	1.1
87.00826	1.3
101.47362	1.0
112.55589	1.1
116.62135	1.1
265.21820	1.6
277.21722	2.7
295.22818	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	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01388	6.4
64.47156	0.7
71.01417	0.9
111.95878	0.8
112.59835	1.0
112.60632	0.8
121.02962	0.9
122.18324	0.7
139.11406	1.0
141.12874	1.2
171.10284	27.7
183.10316	9.8
195.13924	4.6
255.89546	1.0
277.21768	44.8
295.22821	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	295.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95462	0.5
54.37033	0.5
59.01394	2.6
65.85671	0.6
67.01900	6.4
71.01389	3.6
83.05042	1.3
93.03459	37.9
109.02974	0.7
111.00824	0.9
111.04530	5.4
121.02957	28.0
137.02429	4.2
155.03490	5.4
173.04567	100.0
295.08218	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	295.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19374	0.5
56.56105	0.4
59.01397	10.2
60.78037	0.5
109.02970	0.7
111.00945	2.1
119.05000	0.7
121.02962	100.0
133.02992	0.7
135.04544	2.3
151.03989	1.1
153.54491	0.5
295.06241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0614
Annotation	Aspulvinone E
Peak:m/z	Relative Intensity
59.01390	17.2
69.32845	0.7
71.01385	0.9
87.28840	0.9
92.24368	1.1
93.03470	5.7
96.91372	1.1
96.96053	1.1
111.00865	1.6
117.03482	39.9
119.04990	1.2
121.02959	1.5
129.03464	1.2
135.04555	1.3
138.51532	0.9
139.04039	1.1
143.99893	1.1
145.02940	4.4
146.03693	5.4
147.04555	21.4
149.02412	4.5
156.79208	1.0
158.03746	6.7
159.04489	1.7
163.03999	1.2
174.03172	1.1
193.06602	4.6
197.06165	1.3
202.87053	1.0
211.07701	7.2
221.06110	7.9
238.06229	1.5
239.07130	6.2
248.04759	1.1
249.05602	40.7
250.06355	10.3
251.07188	6.8
266.06003	7.8
267.06653	45.1
295.06155	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	295.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	77.1
61.98853	2.6
67.01894	4.1
71.01382	4.2
77.31839	2.2
82.73875	2.5
85.38923	2.2
93.03459	38.8
110.25575	2.6
111.00893	20.0
111.04556	5.8
121.02963	31.8
163.04131	2.7
170.89307	2.6
173.04568	100.0
191.06694	2.6
195.31018	3.5
222.32784	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	295.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16398	0.4
56.66883	0.4
57.03448	0.6
59.01387	3.2
60.41688	0.4
62.87357	0.5
62.92677	0.5
67.01888	6.4
67.02162	0.4
67.45431	0.4
69.03458	0.8
71.01378	3.7
78.62126	0.5
81.03470	0.6
83.05042	1.1
89.12337	0.5
89.91856	0.5
92.10746	1.0
93.02863	1.3
93.03458	38.3
108.64335	0.5
109.02995	0.9
111.00896	0.7
111.04527	6.1
121.02957	29.3
137.02444	5.1
155.03528	5.1
161.48270	0.5
173.04567	100.0
174.04971	0.6
177.26050	0.5
225.59889	0.5
245.47231	0.6
295.08292	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	295.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72445	0.5
52.32442	0.5
53.68181	0.5
53.75293	0.5
59.01392	11.0
71.01398	0.6
73.02958	0.5
75.00901	0.7
83.05041	0.8
85.02955	1.2
88.11567	0.6
93.03471	4.1
106.24445	0.7
108.17636	0.6
111.00895	3.4
111.04525	1.5
121.02948	100.0
133.02965	0.9
133.06628	0.8
135.04527	0.9
155.03539	1.1
173.04567	3.4
182.06337	0.6
295.08392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34869	0.3
53.61349	0.3
53.65770	0.2
57.29831	0.2
59.01389	17.8
65.23400	0.3
70.92558	0.3
71.01407	0.8
75.24467	0.3
80.15710	0.3
83.05057	0.4
85.02939	0.3
92.10779	1.0
93.03453	2.6
106.69355	0.4
109.94321	0.3
111.04547	2.6
121.02966	100.0
137.02419	0.5
155.03529	1.2
173.04605	0.8
179.47336	0.4
220.46112	0.4
227.11836	0.3
235.11888	0.4
258.89511	0.3
295.08258	2.6
319.27362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82431	0.4
54.82701	0.3
56.13357	0.3
59.01388	19.2
59.37297	0.3
62.80373	0.3
77.51622	0.4
83.05051	0.7
86.29409	0.3
89.54487	0.4
89.89367	0.3
93.03445	2.1
98.43049	0.4
111.04545	2.1
121.02956	100.0
122.03365	0.4
155.03520	1.6
168.28886	0.4
172.23459	0.3
173.04599	0.8
203.27989	0.5
206.65894	0.4
215.39941	0.4
217.04234	0.4
220.84763	0.4
235.11777	0.7
285.81046	0.4
292.79272	0.4
295.08368	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0462
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
59.01387	7.9
71.01384	16.9
71.01729	0.9
72.99311	6.4
75.00892	1.0
77.03984	1.0
85.02969	3.2
91.05545	5.8
95.05054	3.3
101.02470	1.4
105.03455	8.3
108.91299	0.7
115.00377	5.4
118.46753	0.7
119.05020	1.1
121.02956	9.9
123.04555	1.6
133.01447	0.8
133.02965	29.5
135.04530	100.0
163.03938	1.0
177.01933	5.0
179.03465	7.5
251.05580	8.1
260.92413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81466	0.2
55.01880	0.4
55.08249	0.2
57.03465	0.2
59.01386	3.2
64.88338	0.2
65.23618	0.2
67.01900	4.7
67.02232	0.3
71.01382	4.0
72.01724	0.4
72.99307	4.2
73.02946	1.1
74.81764	0.2
77.54615	0.2
83.01390	4.8
85.02954	20.0
85.78922	0.2
86.03310	0.3
87.00870	0.4
88.25483	0.2
93.03468	1.8
93.89399	0.2
99.00896	1.7
101.02443	3.2
101.74103	0.2
111.00890	100.0
113.02457	1.1
121.02965	11.0
122.03299	6.2
129.01974	3.1
135.04520	0.3
154.99873	11.5
161.04587	2.6
161.05962	0.3
162.04893	0.8
173.00931	19.4
173.04558	3.2
182.48151	0.2
213.70912	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83784	0.8
55.19541	0.8
57.20014	0.9
59.01386	33.9
59.01658	1.6
67.84509	1.0
71.01404	1.2
72.99322	8.2
83.01388	4.1
83.46404	0.9
85.02922	1.2
90.06552	1.1
95.01555	1.0
96.04791	1.1
100.00414	9.4
103.00378	67.9
103.61382	1.2
111.00877	3.9
115.00372	1.6
121.02957	100.0
128.56172	1.0
130.62607	1.0
133.03049	1.2
134.03246	1.4
135.04530	63.6
145.01466	5.2
163.03996	6.6
202.53134	1.3
211.07658	1.2
267.05118	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	294.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30933	0.9
55.01888	6.8
57.03461	8.5
59.01387	19.1
71.01382	85.0
71.26876	1.1
72.99310	2.1
73.02947	29.7
75.00883	1.5
83.01389	13.8
85.02955	44.1
87.00928	1.2
88.14551	1.0
89.02473	1.6
95.01394	7.6
99.00896	8.8
101.02447	36.5
111.00902	25.3
113.02464	33.8
121.02961	100.0
125.02431	1.8
131.03728	5.2
143.03593	3.4
153.22729	1.4
154.99846	1.3
159.02991	8.1
161.04565	58.3
161.05872	2.6
166.72015	1.2
171.84648	1.7
173.00922	5.4
205.03525	1.6
278.13068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	5.4
59.86222	0.4
64.35103	0.4
71.01384	1.6
71.62341	0.4
72.88831	0.3
72.99356	0.6
77.03971	3.8
78.72482	0.4
82.33820	0.3
84.56385	0.3
85.02969	0.5
89.03976	0.6
93.03444	0.7
95.05035	9.5
99.00831	0.7
105.03473	24.6
115.00393	2.6
121.02979	2.4
123.04538	9.1
132.02177	1.5
133.02974	100.0
134.03293	0.5
135.04562	3.2
149.02438	0.4
150.03203	3.6
151.04042	3.1
163.04016	0.5
177.01955	19.1
190.35568	0.5
195.02992	0.9
196.57552	0.4
211.91560	0.4
251.05791	0.5
281.48151	0.4
295.04630	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20152	1.2
50.90250	1.4
51.42600	1.4
54.71552	1.3
54.82420	1.7
59.01383	1.8
96.96016	25.1
125.09734	7.3
135.76205	1.6
168.04256	1.6
185.11841	13.0
197.11766	2.6
210.92889	2.8
221.15501	2.3
228.17072	1.7
260.95911	1.8
265.22119	1.8
293.17941	19.6
293.21194	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	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13954	1.0
59.01387	1.8
64.37018	1.6
66.64472	1.2
69.51933	1.5
76.51647	1.2
87.36421	1.3
95.24619	1.3
96.96013	87.5
105.37392	1.4
123.71813	1.2
185.11858	13.7
197.11876	2.4
220.14676	6.7
221.15477	14.4
236.10622	2.7
280.72229	1.5
293.17950	54.7
293.21268	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	293.249
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
59.01385	1.3
59.02391	0.9
61.64104	1.0
61.98830	1.3
67.51163	1.0
70.57450	1.1
96.96031	1.8
97.50995	1.0
102.34781	0.9
175.41109	1.3
193.15958	1.2
209.11220	1.2
220.14726	5.4
221.15477	15.1
236.10577	5.7
293.17850	2.1
293.24915	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	293.2125
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
66.70560	2.5
78.97975	2.7
80.19809	2.7
92.10177	6.7
112.24168	2.8
121.10246	27.4
124.77484	3.3
171.10284	51.9
197.83531	2.7
275.20209	100.0
293.21237	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2127
Annotation	13(S)-HOT
Peak:m/z	Relative Intensity
52.65281	1.3
78.49340	1.3
104.42331	1.3
120.87978	1.2
129.17044	1.3
186.55986	1.3
195.13881	15.3
198.97067	1.5
199.34930	1.4
205.12436	1.6
223.13438	10.9
234.57045	1.4
234.92355	1.5
256.13306	4.9
275.20175	8.5
293.21259	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	293.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69414	0.9
57.03465	4.6
57.72209	1.1
59.01398	4.7
61.46477	0.8
61.68610	0.8
62.23421	0.9
64.21763	1.0
92.10907	2.3
113.09736	26.2
113.10908	1.1
139.11305	4.6
166.02490	1.1
167.10837	1.6
195.13931	2.3
205.64014	1.1
220.14853	1.3
221.15524	2.3
249.22244	1.4
275.20282	1.5
276.87726	1.2
293.21286	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35391	2.9
54.88115	3.2
59.01406	6.6
91.08950	3.5
108.15626	4.0
116.92913	3.4
118.64027	3.3
126.49539	3.3
135.11783	32.3
136.08954	7.5
138.97682	3.4
144.35518	3.3
157.08710	86.7
174.15845	3.6
192.11644	16.5
193.16077	18.1
220.14719	24.5
221.15572	29.5
231.21088	4.1
236.10562	14.6
249.18530	25.1
275.20178	83.4
293.17871	15.2
293.21201	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23911	1.0
54.83168	1.0
69.24452	1.1
72.43172	1.0
75.95868	1.0
78.78135	0.9
79.95730	1.8
82.46668	1.1
92.10802	1.1
96.96007	58.9
97.79280	1.0
127.43382	1.1
139.11287	1.7
153.12831	1.6
191.18092	6.2
199.33270	1.0
220.14685	6.0
221.15453	7.3
236.10619	1.3
293.17947	42.3
293.21277	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	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86580	1.2
52.63124	1.0
53.34895	1.1
54.79948	1.1
59.01397	4.9
59.40782	1.0
64.18974	1.1
71.01396	1.1
75.56663	1.1
89.98448	1.4
92.10881	2.4
148.89688	1.3
151.11333	1.6
169.12349	2.4
176.65582	1.3
192.11618	2.4
193.15981	1.7
197.11855	47.1
220.14717	6.8
221.15506	11.5
231.21286	4.7
236.10612	4.9
236.27071	1.2
251.95615	1.4
275.20193	38.6
293.18152	3.9
293.21280	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	293.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	0.1
63.68464	0.1
66.46432	0.1
71.01391	5.1
73.15224	0.1
127.07681	0.7
148.05321	1.6
151.07709	0.2
164.08461	1.5
177.09224	6.9
190.10005	0.2
192.11601	7.8
193.12325	0.2
205.12383	10.5
207.13892	1.0
217.08682	0.3
218.09479	2.1
220.14732	56.8
221.15508	100.0
222.15816	0.9
235.13474	0.9
236.10579	50.3
237.11148	0.9
253.14619	0.2
293.17642	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	293.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
68.32674	0.6
68.99571	0.6
69.17380	0.6
71.01366	0.9
74.56670	0.6
79.95758	1.3
96.22540	0.6
96.96013	100.0
125.09685	0.8
163.11264	1.2
171.10316	1.1
185.11809	0.9
220.14691	3.1
221.15430	5.8
236.10571	3.2
293.17926	60.6
293.21265	35.6
305.93091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53223	0.8
54.95703	0.8
57.03462	0.9
57.52845	0.9
59.01394	54.3
59.01696	1.8
63.36577	0.8
71.01392	24.7
72.99323	1.1
83.01396	2.2
83.24996	1.0
85.02949	8.0
85.06590	21.6
89.02451	22.6
89.47572	0.8
96.21351	1.0
96.80238	0.9
101.02448	13.8
113.02457	8.5
113.06104	1.4
115.07631	1.7
119.03519	8.1
127.07632	1.0
131.07147	66.4
139.75243	0.9
168.19595	0.9
186.98904	1.1
293.12476	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	293.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57321	1.2
56.05975	1.0
59.01387	66.3
61.45025	1.1
61.60388	1.1
68.45435	1.1
71.01392	28.1
83.01436	2.2
85.02982	7.6
85.06599	22.0
87.00873	1.5
88.70087	1.3
89.02451	29.4
95.01386	1.7
101.02432	19.8
113.02451	9.8
113.06106	2.8
119.03494	10.2
127.07716	1.8
131.07152	77.7
173.08150	1.7
201.77071	1.3
293.12488	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	293.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08443	0.7
54.08020	0.8
55.87872	0.7
58.35673	0.8
58.64401	0.8
79.18084	0.8
96.53470	0.8
96.95986	3.3
107.25815	0.8
145.10580	100.0
148.05307	1.6
149.06081	12.9
155.73676	0.9
171.66583	0.8
180.04288	1.4
220.14612	4.0
221.15504	6.5
226.23647	0.8
236.10513	4.0
249.28583	1.0
291.16470	0.8
293.15735	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2334
Annotation	Grevillol
Peak:m/z	Relative Intensity
53.95781	1.9
55.99380	2.1
59.01388	33.9
65.94667	2.4
69.60516	2.1
81.20734	2.4
90.49476	2.3
121.02974	3.2
142.68953	2.5
192.10390	2.7
208.93118	14.5
291.23349	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	292.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77789	0.5
58.02997	0.8
143.49026	0.6
156.13951	100.0
179.91579	0.6
200.13031	4.5
281.10403	0.7
287.43634	0.6
292.19843	1.4
309.27332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1921
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
50.18530	0.4
58.02991	2.2
75.06549	0.4
75.57330	0.5
77.62856	0.5
86.86637	0.4
93.10934	0.4
149.79547	0.5
156.13954	100.0
200.12939	4.9
249.46992	0.6
261.68539	0.4
301.77063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05449	0.5
55.18644	0.5
56.53170	0.4
57.03456	1.3
57.33975	0.5
82.84425	0.5
91.40002	0.6
93.07117	0.8
97.06583	2.4
121.10228	20.5
123.08121	0.7
125.09748	7.6
128.49878	0.6
131.87131	0.6
141.12923	0.9
147.08244	0.7
185.11858	15.7
197.11885	2.9
209.11925	0.8
211.13435	2.2
247.20592	0.9
249.94121	0.6
273.18600	1.3
291.19702	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.197
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
57.97662	0.4
63.75592	0.5
73.02946	68.0
76.39228	0.4
90.91697	0.5
92.10136	1.0
108.99690	0.5
161.10576	0.5
170.71257	0.5
235.03177	0.5
291.19708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
54.83024	2.1
59.01382	3.9
59.45337	2.2
70.25730	2.0
71.04053	2.1
92.10128	7.1
97.22402	2.3
106.24711	3.3
111.08142	4.3
121.03017	5.2
121.10247	14.2
124.90645	2.7
125.09693	2.5
154.35439	2.7
185.11859	12.3
224.34062	2.3
237.03171	3.4
259.78116	2.4
291.19687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.197
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
56.33483	5.8
58.92339	5.2
59.01399	6.1
61.18191	7.0
97.06594	86.2
118.35711	6.6
121.02949	7.5
153.13731	6.7
165.36301	6.9
193.12350	25.7
211.13434	76.5
291.19708	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	290.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99202	0.1
52.60714	0.1
61.98839	100.0
86.78732	0.1
89.85868	0.1
92.10682	0.1
107.38764	0.1
121.82166	0.1
165.12865	0.1
170.20329	0.1
183.13965	0.7
227.12914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	49.3
75.18185	0.5
97.06591	100.0
118.88385	0.5
185.09773	4.4
203.10773	3.4
237.64111	0.5
284.34848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19164	0.2
58.00612	0.2
59.01389	0.9
70.91184	0.2
71.01413	0.4
72.21964	0.2
75.00903	0.2
85.02972	1.9
93.03457	0.5
96.28551	0.3
97.06612	0.3
117.03472	2.8
119.05032	100.0
120.05363	0.9
145.02966	6.0
163.04030	60.0
173.08246	0.5
195.05275	0.3
203.15765	0.2
211.41895	0.2
215.89024	0.2
233.82564	0.3
244.94246	0.2
263.44232	0.3
273.07883	0.3
291.08752	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.197
Annotation	12-OPDA
Peak:m/z	Relative Intensity
63.17228	1.5
67.81199	1.6
72.97352	1.6
88.44216	1.5
124.40752	1.7
130.40958	1.8
146.29726	2.0
165.12862	20.8
247.20677	17.2
247.65649	1.9
273.18823	2.7
291.19708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0835
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
56.84258	0.5
58.02983	27.4
58.08078	0.6
62.42778	0.5
62.51676	0.5
70.02979	13.7
70.03328	0.7
72.00915	8.8
72.04567	3.8
74.02475	91.4
80.66226	0.7
87.44654	0.7
87.60561	0.6
98.02483	27.0
116.03558	22.2
116.05067	48.5
130.06627	6.1
142.06645	16.2
159.09299	8.3
183.09261	3.3
186.05638	1.6
201.10382	7.2
203.08298	94.6
204.08507	0.7
213.34158	0.7
245.09355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83281	0.2
55.65787	0.2
58.75691	0.2
58.82927	0.2
59.01395	44.9
69.87003	0.3
74.04242	0.2
93.55878	0.2
102.44984	0.3
125.09696	0.2
127.11293	6.7
128.37341	0.3
137.09647	0.4
139.11308	2.0
155.10788	3.9
157.12354	25.4
164.69373	0.3
185.10193	0.5
185.11845	12.6
186.91092	0.2
201.11339	0.2
203.12926	100.0
232.39034	0.3
245.13979	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	289.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01377	2.2
59.04148	0.2
67.01895	0.3
70.48126	0.3
71.01388	1.9
72.99304	4.2
73.02952	0.6
73.86935	0.3
74.99384	0.6
78.95901	6.1
79.46482	0.2
80.72630	0.3
81.03456	0.4
85.02951	11.7
87.00875	5.3
92.96007	1.3
93.03458	3.6
96.96960	11.4
99.00907	0.5
100.05209	0.3
101.02442	0.3
105.01900	0.4
109.02942	1.3
111.00885	4.2
111.04532	1.4
114.98880	5.7
115.00372	0.4
116.81036	0.3
117.00459	1.1
126.98902	1.4
127.04018	3.4
138.98082	0.4
142.96651	0.7
148.94977	3.3
154.91513	0.5
155.03511	0.3
156.99945	0.6
158.24841	0.3
160.97682	1.3
171.02972	1.2
172.99443	4.4
173.04565	2.0
174.99251	0.4
184.97705	1.3
186.97357	12.4
190.96101	1.2
191.01979	2.1
191.05629	100.0
192.06001	0.5
202.91830	0.3
202.98767	3.4
215.00523	2.2
217.02017	0.3
228.98433	6.9
289.00406	0.4
289.03329	0.7
308.24945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0722
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03468	11.2
58.00599	1.9
62.33559	1.8
81.03468	7.3
83.01399	10.4
93.03471	2.7
95.05035	11.4
97.02937	21.3
108.02197	2.0
109.02966	75.2
121.02942	10.5
122.03768	3.7
123.04535	56.7
125.02451	37.4
135.04539	10.7
137.02444	24.9
138.03255	2.1
139.03996	11.5
145.03020	3.2
146.03746	3.1
147.04550	2.6
149.02435	11.1
150.03297	3.9
151.04001	20.1
159.04527	10.3
160.05232	2.8
161.06070	12.4
162.03267	2.2
163.04025	2.1
164.01152	8.0
165.01875	8.2
167.03479	2.8
171.06635	3.9
173.06064	2.2
175.03983	2.9
175.07631	3.0
179.03545	16.1
187.04048	14.1
188.04820	9.8
202.06326	4.0
203.07138	24.2
205.05072	13.6
221.08195	8.5
245.08195	42.0
278.46732	2.3
289.07196	100.0
292.76459	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	287.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10739	0.2
53.67041	0.1
58.96167	0.1
59.01387	2.8
72.00910	0.2
72.99306	6.4
75.00870	6.5
87.00881	3.5
100.24672	0.2
103.00396	0.8
104.03539	1.1
105.01939	100.0
106.02263	0.2
111.01994	1.8
124.30421	0.2
161.47044	0.2
189.03481	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2233
Annotation	3,16-dihydroxypalmitic acid
Peak:m/z	Relative Intensity
54.83070	0.9
59.01396	100.0
63.50461	0.7
65.17560	0.9
73.27107	0.7
78.30791	0.8
86.62753	0.9
96.28091	0.9
100.84538	0.8
223.20784	1.1
227.20160	1.4
287.22296	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.9875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09952	0.2
57.03462	0.3
59.01385	0.5
60.24284	0.2
70.62001	0.2
71.01385	3.6
72.34390	0.2
72.54822	0.2
72.99320	0.4
73.02923	0.4
78.95905	24.9
79.95755	1.2
85.02982	1.7
87.00881	3.2
92.10727	0.3
93.03453	0.5
95.99378	0.2
96.96029	100.0
96.96973	46.1
99.00894	0.9
111.00892	6.1
111.04553	0.3
112.98824	0.4
114.93487	0.2
115.00414	1.0
115.92103	0.2
121.02944	0.3
124.98854	1.1
142.99884	14.1
156.37000	0.2
160.97797	0.2
173.00923	7.9
173.04604	0.3
173.08157	0.4
184.13976	0.2
191.01976	5.4
191.05627	2.4
202.98781	1.0
208.31712	0.2
209.06303	0.2
270.98587	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.9968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00248	0.2
59.01405	0.3
59.16671	0.3
71.01399	3.0
73.02946	0.2
78.20760	0.2
78.95911	29.9
79.95757	1.6
85.02970	1.5
87.00874	2.6
89.01720	0.3
92.10809	0.6
93.03481	0.4
95.01395	0.3
96.96019	100.0
96.96967	62.0
99.00887	1.6
111.00895	3.6
111.08166	0.3
112.98785	1.2
115.00387	1.1
121.02972	0.3
124.98810	1.5
129.01921	0.3
133.01431	1.0
142.99881	17.2
173.00935	10.9
186.04842	0.3
191.01993	3.2
191.05663	7.5
240.02055	0.3
270.98660	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0564
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
57.03457	18.1
59.01373	0.6
63.02400	8.0
65.00327	10.5
67.01905	0.8
68.83454	0.4
81.03468	4.1
82.66157	0.4
83.01394	15.1
93.03474	3.9
107.01405	9.9
107.05036	0.7
108.02238	0.6
109.02988	2.3
111.00916	1.0
117.03499	0.8
120.77966	0.5
121.02973	1.1
123.04488	3.4
124.01653	5.2
125.02453	100.0
130.04227	0.9
131.05031	3.1
133.02962	5.1
134.03732	2.4
135.04533	3.0
137.02451	1.1
149.06110	1.0
151.00381	15.5
152.01172	10.3
153.01971	3.8
156.05815	1.0
157.06613	3.2
158.03728	0.6
159.04451	1.9
165.01949	1.0
169.01472	0.9
169.06615	0.8
171.04529	0.7
172.05289	2.0
173.06081	5.9
175.03995	0.7
177.05589	20.8
177.83403	0.5
178.99895	5.0
181.06631	0.6
197.06146	0.8
197.11781	0.9
199.04034	1.0
199.07712	4.0
200.04826	0.6
201.05626	10.0
203.03497	2.3
213.05606	2.0
215.07158	5.4
219.06664	1.7
225.05663	0.8
241.05086	2.0
243.06662	11.7
259.06137	62.3
269.04697	3.4
286.43787	0.5
287.05643	48.4
287.19131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
80.70987	1.0
91.23203	1.2
103.22615	1.2
127.07666	4.6
153.48900	1.3
173.03644	10.0
181.07649	1.4
183.05653	16.6
215.04654	37.1
224.01604	1.0
225.06760	1.2
243.07784	3.9
287.06790	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	285.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79624	0.9
59.01394	11.4
62.11364	1.1
62.90264	1.2
69.01853	1.1
71.77567	1.4
72.99359	1.1
75.00874	94.0
84.04572	7.5
103.00369	100.0
105.01933	21.2
181.07306	2.5
285.11902	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	285.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.7
58.00601	1.6
59.01386	100.0
67.01883	1.1
68.58183	1.0
71.01382	52.8
72.99298	4.0
85.02945	9.0
87.00861	1.3
89.02444	70.1
91.01902	1.7
92.10693	1.5
95.01381	4.7
101.02431	16.9
110.89472	1.1
113.02448	20.3
118.98085	1.2
119.03500	20.2
131.03506	1.8
135.00876	2.0
137.02434	1.4
143.03458	2.6
149.04541	2.5
153.01852	1.4
161.04601	2.3
178.99884	22.5
179.05609	15.6
179.94087	1.2
194.05826	1.2
197.00949	18.7
266.42108	1.2
285.10010	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2074
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03451	1.0
59.01391	5.9
74.66039	0.9
77.42205	0.9
78.95911	1.1
130.95551	0.8
197.00879	1.0
202.98816	0.9
203.02290	1.1
223.20708	83.7
241.21756	1.1
267.19684	45.1
285.04071	1.4
285.20755	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	286.239
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01396	0.8
61.98838	3.2
70.02990	0.7
74.06106	0.8
98.02512	0.6
100.63337	0.5
119.01257	0.5
125.80884	0.5
147.94006	0.5
240.23315	3.0
242.21260	2.4
268.22754	0.8
286.23917	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	285.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36766	0.3
57.53959	0.3
65.03951	0.3
68.25639	0.3
75.06018	0.3
93.03460	78.7
94.03788	0.3
102.16334	0.4
105.54774	0.3
123.04567	0.4
137.02457	100.0
138.02814	0.5
145.78493	0.3
153.09227	0.4
178.99971	0.4
199.09785	2.2
203.94130	0.3
222.10457	0.3
231.46428	0.3
237.56419	0.3
285.06265	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.062
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94890	0.2
73.27657	0.3
92.10759	0.4
93.03463	68.0
94.71714	0.3
106.06856	0.3
132.17433	0.3
137.02464	100.0
138.02840	0.5
140.50928	0.3
175.47142	0.3
218.82249	0.3
251.96547	0.3
287.25296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	22.9
61.98833	100.0
62.98536	7.3
68.78162	5.3
71.01379	9.0
73.02921	7.5
75.20458	5.7
93.03480	31.4
96.96039	14.1
96.96971	6.3
109.02954	7.5
111.00883	7.8
121.02994	9.8
122.03748	12.6
133.60876	5.2
137.02470	38.9
173.04626	8.6
178.99876	14.3
197.00987	25.6
285.06741	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	283.0825
Annotation	Helicid
Peak:m/z	Relative Intensity
50.62886	1.0
59.01385	15.1
71.01386	12.8
73.02971	1.6
75.23049	1.2
83.05054	1.5
85.02951	2.6
93.03455	3.6
113.02487	2.6
117.70688	1.7
121.02959	100.0
122.56477	1.3
135.04532	67.1
137.02449	7.2
147.04610	1.6
163.04027	8.0
171.99135	1.5
202.42307	1.5
229.55649	1.4
283.26422	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1708
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
53.54899	0.4
59.01388	8.6
61.98860	0.5
64.82311	0.6
87.90208	0.6
102.31619	0.6
107.05038	89.9
125.02567	0.7
142.44130	0.6
151.02136	0.5
163.11305	100.0
188.31473	0.6
201.02559	2.6
231.39828	0.6
283.17084	72.4
283.22849	7.4
283.26468	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05059	2.1
59.01372	1.9
60.16238	1.3
68.05060	2.7
74.02480	17.8
79.83414	1.1
97.04103	2.5
108.08223	4.9
109.04085	11.7
110.09775	11.7
111.05644	11.0
119.23563	1.3
122.09789	5.3
125.07214	14.8
135.05652	2.1
138.04337	2.2
146.64807	1.3
150.09276	5.3
151.12337	1.6
157.83464	1.2
158.32999	1.2
164.09564	2.5
169.06252	2.6
179.11906	65.5
206.12970	1.7
211.10905	5.7
223.10919	100.0
224.96065	1.4
257.09695	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	284.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.8
62.01298	2.6
74.02493	16.1
85.34538	3.0
92.34312	2.5
109.04152	3.7
110.09769	12.7
111.05683	10.6
121.03043	4.1
125.07214	14.1
135.05650	4.3
150.09229	4.3
159.63206	3.0
179.11896	62.7
179.13329	4.8
181.12349	2.7
211.10706	3.5
219.85864	3.2
223.10909	100.0
257.09686	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	285.0407
Annotation	Kaempferol
Peak:m/z	Relative Intensity
50.19917	0.3
51.33805	0.4
56.91989	0.4
59.01400	1.1
63.02409	1.0
65.00326	0.6
67.20084	0.4
83.01389	0.8
84.80494	0.4
93.02940	0.4
93.03448	4.3
95.01381	0.6
107.01410	2.4
108.02175	0.5
109.02982	1.1
110.67854	0.4
117.03484	1.0
121.02943	1.0
123.04524	0.5
125.09696	0.7
135.00873	0.6
137.02423	0.6
143.05031	2.6
145.02974	1.9
151.00371	1.6
154.04300	0.8
157.06610	0.5
159.04529	1.1
161.02431	0.4
163.00397	0.7
164.01152	0.7
167.05014	0.5
169.06578	1.9
171.04489	0.9
178.99890	1.7
185.06038	3.1
187.04001	2.5
197.00957	0.9
201.05624	0.5
211.04012	0.8
213.05602	0.8
214.02774	0.5
227.03497	1.1
229.05121	1.7
239.03488	2.1
243.03247	0.6
255.03041	0.8
257.04620	0.8
285.04086	100.0
286.04492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
65.84895	0.6
71.46219	0.7
77.91674	0.7
95.79890	0.7
105.97575	0.8
157.03589	5.1
159.01553	5.3
195.67610	0.7
201.02594	64.0
232.91139	0.9
283.26477	3.4
302.76947	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0826
Annotation	Benzoyl-beta-D-glucoside
Peak:m/z	Relative Intensity
57.32010	0.7
59.01398	3.4
71.01384	0.7
89.83032	0.7
91.34492	0.7
92.10757	1.1
121.02962	100.0
123.04561	0.9
135.04521	3.0
152.37869	0.8
152.39063	0.9
163.04082	1.1
218.50342	0.9
244.99826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36017	0.9
56.27251	0.8
59.01388	17.8
70.48121	0.9
71.01432	1.4
72.99325	2.5
75.00874	35.0
89.02460	7.1
93.03467	2.4
109.02940	1.0
117.02008	1.7
117.03493	1.9
119.05030	35.2
121.02962	60.4
130.04257	18.9
131.05038	16.2
134.03787	2.5
135.03006	100.0
143.05013	2.2
145.02928	8.5
163.04022	32.3
187.28159	1.0
237.09271	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	281.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41853	0.3
54.83145	0.4
58.80867	0.3
59.01396	100.0
64.22284	0.3
71.01394	0.5
72.35629	0.4
92.10225	0.6
101.02480	0.9
106.44666	0.3
150.37544	0.4
161.04619	0.5
168.01805	0.5
185.56346	0.3
221.10327	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	282.0846
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.23845	0.3
51.60151	0.3
59.01385	4.9
66.00976	0.6
66.24343	0.3
71.01402	0.6
72.28366	0.3
72.99319	1.8
82.04139	0.8
89.02451	0.4
96.96992	0.5
107.03635	5.3
108.02053	8.7
119.05025	2.0
120.05425	0.6
124.89130	0.5
126.03102	9.0
133.01564	40.4
135.03008	0.4
150.04227	100.0
151.02518	0.8
163.04013	0.7
164.04343	0.4
254.12222	0.4
282.08478	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2331
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.38437	0.9
60.94983	0.9
64.34653	1.0
80.99591	1.0
92.10936	1.9
101.53258	1.1
131.83954	1.1
226.95000	1.2
239.20369	1.1
279.23322	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	281.067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99846	0.7
59.01383	6.4
71.01400	2.1
72.99312	5.7
73.02959	1.6
75.00871	40.8
75.01301	1.3
78.54848	0.9
87.00897	5.8
89.02447	7.8
111.42885	0.9
117.01942	9.2
119.05027	74.3
135.03003	100.0
145.02975	1.6
150.10313	0.8
163.04021	85.8
178.75261	0.9
219.92577	1.0
259.84515	0.9
274.10196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57570	0.6
57.15953	0.6
59.01390	8.3
70.76102	0.7
71.01391	3.3
75.00507	0.8
75.00900	4.1
89.02452	1.1
93.03484	2.7
102.97380	0.7
103.31998	0.6
115.00388	4.3
119.05029	92.3
121.03012	0.9
135.03004	14.2
160.59294	0.7
163.04024	100.0
188.37495	0.7
191.93578	0.7
200.05832	1.1
211.07713	7.5
212.08029	1.0
237.09138	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1087
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
52.99151	1.0
54.29176	0.9
56.38554	1.0
58.00610	2.0
59.01389	100.0
59.33530	1.0
64.71674	1.0
67.72969	1.3
71.01389	48.5
71.05040	7.9
73.02943	1.9
83.01422	2.7
85.02959	10.0
86.00954	1.2
89.02454	49.3
89.03011	2.0
91.10247	1.2
94.42585	1.2
95.01403	2.8
99.04536	6.1
101.02437	19.8
101.06120	1.2
104.09002	1.0
113.02467	19.8
117.05585	43.1
119.03512	15.1
142.27585	1.2
145.06535	1.8
160.02641	1.4
160.60426	1.3
173.06056	1.7
179.05748	1.9
261.04089	1.4
279.05527	2.0
279.10858	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1968
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
54.64433	5.7
59.01378	7.7
60.30828	5.6
96.95959	7.6
107.08657	24.4
152.61813	6.3
163.04050	7.1
171.10289	78.8
217.19487	10.2
261.18698	100.0
279.19769	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	14.9
67.13953	3.0
75.74931	3.2
121.30473	3.3
134.89478	7.5
225.00789	3.3
277.18185	28.3
277.21738	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	279.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03723	0.2
54.25460	0.2
55.75690	0.2
58.52353	0.2
63.63957	0.2
63.82280	0.2
78.95905	52.8
96.96961	100.0
177.78851	0.2
220.30453	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0513
Annotation	Diaportinic acid
Peak:m/z	Relative Intensity
59.01397	6.6
68.99823	35.4
69.69229	1.1
71.01398	6.8
72.99329	1.2
75.00885	1.8
83.01382	1.2
85.02990	2.0
85.59741	1.0
96.96030	2.2
96.99313	40.0
99.00903	4.6
101.06091	13.5
103.84950	1.1
107.05060	5.2
115.00406	4.7
119.05024	9.5
121.02962	100.0
129.01941	4.6
135.04561	6.9
145.01472	6.5
147.04565	8.6
161.06059	1.5
163.04028	6.0
170.42642	1.1
177.04010	4.0
189.05560	2.6
191.03532	7.5
219.02992	4.6
261.04114	1.1
279.05136	43.5
279.10895	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	279.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77973	0.6
57.03461	6.3
57.65334	0.7
59.01389	13.9
69.03457	1.5
71.01382	10.6
71.02020	0.8
72.99315	5.6
75.00873	44.0
80.52377	0.7
84.02181	1.1
85.02945	10.9
85.03300	0.7
87.00881	11.3
89.02449	1.5
99.00884	4.4
101.06086	100.0
115.07667	8.4
119.05032	1.5
129.01958	9.5
130.08772	6.5
141.01921	0.9
143.92166	0.8
159.03014	1.8
163.04091	1.0
172.09799	3.5
177.04059	50.8
183.06593	1.3
197.09921	0.9
214.43065	0.8
254.03658	0.9
279.10876	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	276.9182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
72.13073	0.2
72.87760	0.2
74.02439	0.2
78.95897	21.7
79.95701	0.8
93.30547	0.2
96.96006	22.9
96.96932	4.8
110.73137	0.2
125.16729	0.2
134.96057	1.0
134.97057	2.2
136.94012	71.7
137.94093	0.8
151.92732	0.4
154.95074	0.2
171.84439	0.2
176.98164	0.4
178.94954	8.4
179.01236	0.4
185.63751	0.2
196.97446	0.2
198.90622	15.3
206.77657	0.2
213.89537	0.2
214.93723	2.5
216.90750	100.0
217.90881	0.7
218.91255	0.2
234.91791	26.3
240.91641	3.4
251.45786	0.3
258.91870	8.7
276.92569	1.3
276.98819	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	276.9373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82870	0.7
59.01397	1.1
73.70045	0.6
78.95902	82.7
91.04610	0.6
92.10715	0.9
92.67320	0.7
93.03424	0.8
96.96004	3.5
96.96304	1.0
96.96958	25.6
100.24728	0.7
117.00453	4.0
136.93988	2.7
136.94998	3.1
141.00409	1.4
156.99953	0.9
168.99968	3.0
170.33601	0.7
178.96259	7.5
191.05736	0.9
196.92615	1.7
196.97125	0.9
198.90564	100.0
214.93690	17.2
216.90843	15.7
217.02122	3.6
233.06728	0.9
234.91679	4.9
240.91643	22.5
258.92676	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	277.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46795	0.3
53.82700	0.4
55.01887	2.4
57.03453	0.9
59.01389	100.0
64.34639	0.4
71.01389	8.4
72.99318	1.0
73.02946	4.3
82.02995	2.7
83.01406	2.5
85.02940	5.9
87.00885	0.5
88.77200	0.4
89.02454	1.0
95.01413	0.5
99.00896	2.2
101.02457	9.3
107.05062	3.4
111.00900	0.5
113.02480	2.7
119.05118	0.6
129.01920	0.5
130.06636	0.5
131.03792	0.5
151.04059	3.2
155.10756	1.0
159.03030	0.7
161.04547	2.9
170.07516	0.5
177.03999	0.5
200.17091	0.5
235.11935	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	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
91.27505	1.1
121.91148	1.2
148.45872	1.1
152.64084	1.1
157.04039	1.1
277.21774	100.0
281.31119	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32195	0.5
57.03450	0.8
59.01386	9.9
60.99326	0.7
65.58069	0.5
67.01898	7.7
69.03467	1.0
71.01373	4.2
71.29374	0.6
72.97565	0.8
79.91146	0.5
80.85264	0.7
81.03454	0.8
83.05048	0.6
83.49879	0.5
85.02977	0.5
87.00883	0.7
88.75755	0.5
93.03461	37.7
97.06577	0.6
101.06087	46.9
109.02902	0.7
111.00854	0.6
111.04523	8.4
111.08121	0.8
113.02461	0.7
125.02468	0.7
125.09731	0.6
127.07643	0.6
137.02446	4.8
151.21887	0.6
155.03523	5.7
171.10265	4.2
173.04567	100.0
173.08171	2.4
174.04950	0.6
181.78819	0.6
203.83669	0.6
215.09277	3.2
233.10384	1.2
275.11401	14.7
295.19031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2021
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
54.82751	15.8
59.01388	27.3
68.79901	17.6
77.76374	18.5
80.21818	17.7
80.54364	16.8
91.53915	22.2
94.99847	16.0
115.17257	17.7
141.86809	25.5
184.73180	19.5
215.33777	19.3
231.21277	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	275.2021
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
55.96989	2.1
58.96939	2.1
58.98188	2.4
59.01392	4.0
73.01160	2.4
92.32466	2.5
120.48007	2.5
275.20212	100.0
279.14975	3.2
296.36816	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	275.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.0
79.29903	3.2
103.33291	3.0
138.98973	3.3
191.18878	3.7
206.64517	3.7
231.21230	6.6
234.44858	3.8
251.08905	4.3
271.86176	4.5
275.20212	100.0
290.35519	3.9
291.67789	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	271.2281
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
51.54720	1.5
53.46959	1.6
55.53963	1.6
59.01389	8.9
67.37650	1.9
68.66447	1.8
87.19743	1.8
133.75403	2.2
143.34569	2.0
225.22351	3.1
229.17850	2.3
269.21066	2.3
271.22833	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	271.2282
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01387	100.0
69.45613	0.8
81.03251	1.0
81.68530	1.0
84.92719	0.9
140.63509	0.9
165.42134	0.9
176.77483	0.9
269.72937	1.0
271.22839	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2281
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
51.14479	3.3
53.32970	2.8
53.49862	3.3
59.01396	3.6
59.06093	3.1
59.14289	3.3
65.26576	3.3
66.47374	3.9
71.98403	3.4
73.14574	3.2
76.57999	3.9
92.65627	4.2
92.66193	3.8
102.61527	4.5
107.81186	5.0
117.70466	3.9
223.20642	5.3
225.22260	100.0
271.22803	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46464	0.3
50.73190	0.4
53.96268	0.4
56.10077	0.4
57.96385	0.4
59.01392	1.0
66.75219	0.5
68.29068	0.4
72.99362	0.6
73.05625	0.3
74.99415	0.5
78.95913	19.6
87.00883	5.2
90.72470	0.5
92.65857	0.4
96.96992	1.0
109.98653	0.6
110.98541	15.1
110.99318	0.6
111.00921	0.6
117.00478	1.1
125.00957	37.1
126.98883	51.7
130.87495	0.5
141.97600	4.2
157.03587	1.9
168.99950	100.0
170.00024	0.6
183.01486	2.8
185.03090	1.1
211.00987	1.9
212.98883	0.7
236.98975	0.7
237.06168	0.6
241.01208	3.7
255.00000	1.7
273.03864	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	271.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60859	46.2
53.73497	49.7
55.04556	50.4
57.21598	50.9
59.01398	53.1
61.97557	47.1
71.01380	56.3
71.26765	48.9
72.49400	47.8
109.02940	52.0
124.59168	68.0
155.07191	100.0
265.26230	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82359	0.4
59.01398	0.4
62.80874	0.4
63.80424	0.4
75.45998	0.4
106.53658	0.5
120.29572	0.5
149.21918	0.4
157.73114	0.4
175.66835	0.4
211.20773	1.7
222.27429	0.4
225.22263	1.8
241.65416	0.4
253.21675	1.7
269.21240	0.7
271.22833	100.0
272.23212	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.4
71.01379	1.5
73.02945	2.7
75.00845	0.4
79.54487	0.3
81.49181	0.3
81.87883	0.3
87.00861	0.5
88.98826	0.4
93.03457	3.9
96.96954	0.3
100.59974	0.3
101.02406	0.4
108.02197	0.3
109.02962	0.5
115.68712	0.3
121.02956	100.0
122.03314	0.5
137.02444	5.1
225.77295	0.3
269.06662	2.1
271.04144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	19.3
55.86715	2.4
57.03460	5.9
59.01389	96.4
71.01384	100.0
72.99305	3.3
73.02946	33.0
75.00857	3.1
83.01394	21.7
85.02952	54.1
87.00886	3.4
95.01384	6.6
96.82687	2.5
97.36951	2.5
99.00905	15.3
101.02447	75.8
113.02457	30.1
159.02991	4.5
161.04547	24.9
257.81186	3.1
269.10333	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	269.13
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
53.99345	0.8
68.43038	1.0
97.26340	1.1
120.04572	4.1
121.02876	1.3
192.69957	1.1
211.08806	6.5
225.10359	9.3
225.15189	1.1
226.10951	1.3
239.08276	5.1
241.13489	4.8
251.11905	1.1
253.09924	4.4
254.10663	19.0
269.12997	100.0
270.13406	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0615
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
52.77527	1.4
54.82998	1.8
59.66891	1.7
62.47157	1.9
63.02404	13.0
65.00330	25.2
69.78117	2.1
71.59654	2.3
80.59910	1.9
83.01410	10.1
90.10072	2.0
93.03471	14.7
107.01405	34.5
119.05033	100.0
140.30331	2.4
151.00403	67.7
169.01433	4.3
177.01982	4.8
187.04031	2.7
198.99138	2.1
224.49396	2.3
250.72104	2.2
270.61710	2.1
271.06177	99.9
271.19214	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	271.0827
Annotation	Arbutin
Peak:m/z	Relative Intensity
50.60020	0.2
52.83198	0.3
57.03463	1.0
59.01387	1.4
60.99290	0.3
64.73475	0.3
67.14796	0.2
69.84060	0.3
71.01385	4.3
72.99284	0.3
73.02942	2.0
77.06088	0.2
78.95924	1.0
80.41422	0.2
81.03465	0.2
81.93795	0.2
83.01375	1.1
84.00480	0.2
85.02947	2.9
87.00846	0.2
88.89590	0.2
88.98817	0.4
95.01393	0.6
95.05019	0.3
96.96019	2.0
96.96966	1.6
99.00867	1.3
101.02454	1.9
101.43488	0.2
107.05037	0.4
108.02186	100.0
109.02981	7.3
111.04476	0.2
113.02452	2.1
115.00378	0.3
121.02934	0.6
122.02509	0.6
123.02820	1.1
123.04530	1.5
133.02870	0.3
134.03792	0.4
135.04451	0.3
151.04002	2.4
159.03061	0.5
161.04602	3.2
163.04031	1.0
169.43149	0.3
220.10236	0.3
259.95184	0.3
271.08301	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85183	0.3
54.82847	0.4
59.01388	10.4
59.83849	0.3
60.01727	1.7
61.98837	100.0
71.01384	0.8
72.99303	2.9
76.59520	0.3
79.96956	0.4
85.87861	0.4
92.10110	0.7
96.97026	0.4
98.18933	0.4
99.00914	0.6
103.00359	0.4
112.98820	0.4
115.00405	0.5
115.66269	0.4
117.01910	0.4
135.03160	1.6
136.03447	0.9
142.01463	0.4
144.24214	0.4
145.01486	0.4
173.00876	0.6
176.02423	0.4
268.07599	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34743	0.3
55.01894	0.3
55.25702	0.3
58.68094	0.3
62.39747	0.3
65.86757	0.4
71.01393	2.5
75.58324	0.3
92.10134	0.5
96.71504	0.4
99.00908	3.3
121.02959	100.0
122.03272	0.5
141.17451	0.5
147.03035	3.0
182.88351	0.4
269.06583	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82911	0.2
59.01395	0.5
71.01409	0.4
91.29142	0.4
93.03471	0.6
95.81055	0.4
96.52290	0.3
99.00871	0.6
106.17691	0.3
112.47658	0.3
114.55800	0.3
121.02961	100.0
122.03293	0.5
129.71648	0.3
137.02524	0.5
147.03006	2.2
157.23607	0.4
179.06801	0.4
194.40268	0.3
269.06564	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	269.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66491	0.3
64.87392	0.3
71.01380	0.6
71.48054	0.3
73.02956	2.7
92.10793	0.6
92.65739	0.4
101.02474	0.4
107.51370	0.3
121.02962	100.0
158.32790	0.4
269.06738	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	29.1
59.01389	29.1
64.56800	1.5
69.55571	1.4
71.01406	2.6
72.99319	7.6
83.01412	2.2
93.03474	6.9
101.02451	100.0
108.02200	9.6
109.02944	2.2
121.02959	50.3
129.70245	1.6
137.02428	2.9
140.02284	1.8
145.01450	58.1
152.01155	3.8
267.05167	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	267.0725
Annotation	formycin b
Peak:m/z	Relative Intensity
55.01892	1.9
57.03448	7.5
58.00607	0.9
59.01387	37.2
68.27532	0.8
69.03467	1.0
71.01387	47.4
72.99295	7.1
75.00878	20.8
78.95918	1.5
80.28038	0.8
83.01385	1.5
84.02222	1.1
85.02959	47.1
87.00877	19.7
89.02444	16.3
91.04031	1.6
95.01374	6.8
99.00885	10.9
101.02410	1.5
103.00397	1.2
112.01668	1.2
113.02464	45.9
115.00375	1.9
117.01957	4.8
129.01968	1.3
144.00008	1.0
157.74229	0.8
175.02504	1.6
178.07893	0.9
193.47771	0.9
207.05055	1.5
249.06149	4.5
267.07263	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	267.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.26027	0.4
65.97394	0.3
71.01385	2.8
73.02939	0.8
81.89097	0.4
83.01422	0.4
85.02964	1.5
89.02454	0.8
101.02441	3.3
111.84341	0.4
113.02456	1.5
207.08757	2.6
267.10632	1.4
288.34433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82567	0.4
59.01391	0.8
60.38903	0.4
67.23141	0.3
67.84080	0.3
77.14064	0.4
79.95747	2.6
96.96014	100.0
101.68441	0.4
107.41743	0.4
150.85287	0.4
164.65369	0.4
205.16019	1.6
244.48981	0.4
265.14819	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2175
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
59.01385	11.1
63.47680	3.9
64.34215	3.8
64.57275	3.6
68.59499	3.9
74.21208	3.8
79.06664	4.7
87.57789	4.1
96.95998	9.1
103.94645	4.7
120.53551	4.2
162.84000	6.3
204.24934	4.9
205.15964	9.8
225.03735	4.8
265.21735	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	266.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	5.9
61.98824	10.9
63.20874	4.0
63.90588	3.9
71.01391	5.8
71.12777	4.7
75.88934	4.7
78.29691	4.4
84.00917	100.0
114.38789	6.2
135.66891	4.3
176.50761	5.2
181.07188	9.9
251.38318	4.8
268.06644	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93493	0.2
53.16420	0.3
57.64590	0.2
57.73893	0.2
59.01396	100.0
61.25086	0.3
66.96626	0.2
73.02960	1.0
103.41409	0.3
105.73791	0.3
174.75873	0.3
219.10927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07434	0.2
57.07143	0.2
59.01388	100.0
59.86531	0.2
61.95524	0.3
71.01405	0.3
73.02946	0.4
166.53758	0.3
279.26282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22942	0.3
58.22583	0.3
59.01389	100.0
73.02954	0.5
90.24152	0.3
92.65710	0.4
95.48755	0.3
129.94339	0.3
160.79762	0.3
208.69139	0.4
234.25540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2017
Annotation	KDC 165
Peak:m/z	Relative Intensity
51.26297	0.4
59.01405	1.1
59.91588	0.4
62.51811	0.4
71.01366	0.5
121.28674	0.4
263.20200	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	265.0933
Annotation	8-Oxodeoxycoformycin
Peak:m/z	Relative Intensity
51.68598	1.0
54.72951	1.0
55.01907	1.4
57.03469	5.4
59.01392	100.0
61.98843	94.3
67.01928	1.1
71.01388	36.6
71.05045	1.5
72.08594	0.9
72.99326	6.1
73.02962	7.2
73.03894	1.0
75.00885	2.4
83.01406	1.6
85.02958	36.2
87.00921	1.3
87.04516	1.3
89.02448	42.9
89.02996	1.4
95.01393	2.2
99.00874	2.2
101.02451	26.5
103.04015	39.9
111.00929	1.3
112.98846	2.1
113.02470	18.3
115.00391	4.4
117.05599	17.0
119.03513	15.2
131.03439	1.5
142.01520	2.7
179.05653	1.7
205.15994	7.0
265.09320	99.1
267.00339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.023
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
54.82927	0.4
59.01378	0.4
62.17690	0.3
71.01376	0.3
78.95908	100.0
92.66132	0.3
96.96964	96.5
101.02451	0.7
116.37488	0.4
117.00478	0.5
138.98036	4.7
148.96234	0.3
168.29738	0.3
168.99051	1.9
187.01004	1.6
198.90491	1.2
199.00238	2.4
214.93784	0.5
216.90718	0.6
223.61592	0.3
235.98218	0.3
241.01236	1.8
258.92642	0.6
259.02271	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	259.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	23.4
67.17657	1.4
67.98472	1.3
71.01380	1.9
75.00896	1.4
76.57556	1.6
101.80135	1.6
110.19339	1.8
119.45094	1.4
127.11366	2.1
137.09763	8.8
143.07231	1.9
155.10805	100.0
171.10274	36.3
199.09805	20.5
215.12981	6.5
217.10860	73.4
250.29370	1.6
259.11890	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	259.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
61.58304	0.3
68.77766	0.3
71.05039	0.5
80.02699	2.0
81.03470	1.8
83.05025	7.9
83.05473	0.4
84.02177	5.2
95.05022	1.2
110.85300	0.3
123.40823	0.3
123.86393	0.3
125.06129	0.4
125.09727	0.6
130.13480	0.3
135.08170	0.8
147.11803	0.4
148.92413	0.3
163.11301	6.5
165.12904	3.8
181.12393	1.7
191.10857	1.8
209.11871	100.0
210.12242	0.4
227.12921	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	261.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39057	0.7
51.52799	0.6
57.03461	0.9
57.70945	0.7
58.02986	15.9
58.99614	1.3
59.01393	4.6
60.37932	0.7
68.99590	3.7
69.55681	0.6
70.02972	1.5
71.01371	0.8
72.52969	0.8
72.99300	1.3
73.02970	1.3
74.02480	21.4
74.02860	1.3
78.95907	16.9
83.05035	1.7
84.04556	19.7
86.02494	3.5
87.00920	1.1
92.05054	12.0
92.10781	0.9
93.03497	1.5
96.96970	14.0
98.02478	11.0
99.00898	1.1
101.06109	1.8
103.00404	1.1
110.02526	1.7
112.98605	3.4
115.00381	1.2
116.03525	6.9
116.05071	1.2
117.01950	1.7
118.03010	0.8
118.06641	1.8
120.04550	0.9
128.03552	28.6
130.06621	8.6
131.03787	56.0
132.04568	100.0
140.05092	5.0
144.04588	12.7
145.05089	2.9
146.06139	4.1
157.07738	20.4
158.06129	21.3
175.08766	14.7
181.05070	3.2
199.00818	0.9
199.08774	3.7
199.10741	0.8
201.06721	4.5
217.09818	5.4
219.07809	16.8
219.12411	3.2
243.07689	3.8
243.09897	2.9
261.00867	3.0
261.03906	4.2
261.08823	34.6
261.11523	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24850	0.4
52.06734	0.4
55.70515	0.4
57.03459	2.1
59.01395	3.0
59.37386	0.4
60.98727	0.4
66.36217	0.4
67.74571	0.5
69.03461	0.6
71.05025	4.3
73.53874	0.5
76.57752	0.5
81.03460	0.5
94.29808	0.4
95.05047	0.5
97.02947	11.6
97.06600	7.2
99.00883	7.7
109.06623	2.2
110.03753	4.5
111.04528	0.7
123.08157	3.2
125.09727	40.5
135.08157	2.4
136.05312	3.3
142.02745	6.8
146.47150	0.5
153.12912	0.9
161.09712	0.8
163.11304	12.9
179.10904	0.6
181.12364	26.7
197.11823	1.0
197.94542	0.6
207.10306	75.8
208.10612	0.9
213.15094	0.8
225.11375	100.0
257.13980	13.7
257.16940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2125
Annotation	2-Methoxytetradecanoic acid
Peak:m/z	Relative Intensity
52.09332	2.1
59.01394	5.3
72.13171	2.4
75.00896	3.9
79.72147	2.3
139.56781	2.2
219.84615	4.0
221.84261	3.5
252.75157	2.9
257.21243	100.0
257.23825	4.4
268.75693	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	258.9403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64592	0.5
55.10775	0.6
59.01377	0.9
60.49722	0.5
64.34856	0.6
82.66083	0.6
90.92232	0.6
93.76591	0.7
99.92602	6.5
109.63789	0.6
112.52076	0.6
116.92866	100.0
135.43825	0.7
152.66385	0.6
156.90887	3.7
176.98154	1.5
198.91910	3.6
250.40535	0.7
264.60852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	4.8
59.01397	1.8
69.03466	74.3
70.99894	1.1
71.01390	11.9
71.05041	7.3
74.78017	1.1
78.95959	1.1
81.03466	1.9
83.05042	1.4
95.01432	1.3
95.05044	6.1
97.06580	8.5
109.06596	2.0
111.04535	7.5
117.74749	1.2
121.06590	5.0
121.16035	1.0
123.08167	50.8
125.09735	25.9
137.09775	12.4
149.09756	8.1
151.11261	6.0
152.91774	1.6
161.09721	12.4
179.10799	100.0
194.92828	2.3
211.13423	11.7
223.09737	4.6
225.56740	1.3
255.12422	45.6
255.23256	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	257.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07154	2.0
54.60546	2.2
57.03463	3.8
59.01398	6.0
67.01909	4.1
69.03469	9.6
71.01382	39.2
71.37163	2.4
75.00893	3.0
77.85139	2.1
78.95879	2.1
80.99858	2.3
81.03503	4.1
83.01422	3.0
85.02969	12.9
87.00883	9.9
91.05589	2.7
93.03446	22.7
97.02964	14.7
98.00102	10.2
99.00883	20.6
109.02973	13.8
111.04527	10.0
113.02454	6.1
114.38847	2.4
115.00401	12.3
131.03505	24.7
134.65318	2.3
135.04539	96.6
136.04832	6.2
136.99799	2.8
141.01987	11.0
141.05557	4.1
145.01447	3.3
151.02258	12.8
159.03017	28.7
176.04027	100.0
176.54243	20.9
179.03514	73.8
189.00327	4.4
195.01242	18.1
213.02571	2.7
239.00214	5.5
257.01178	2.7
257.06622	2.8
267.65533	2.5
272.86957	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	257.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25145	0.5
56.75515	0.6
57.03450	1.4
57.64542	0.6
59.01379	2.6
71.05038	3.0
74.40581	0.6
81.03477	1.1
85.20604	0.6
97.02962	9.8
97.06035	0.6
97.06592	5.9
99.00885	7.3
109.06612	1.2
110.03753	6.0
123.08168	4.3
125.09727	31.8
135.08171	1.2
136.05296	3.0
142.02747	5.8
145.10323	0.8
153.12856	0.7
163.11293	11.1
179.10849	2.2
181.12350	24.8
207.10307	69.0
225.11363	100.0
226.11659	0.9
257.14032	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	255.0665
Annotation	Pinocembrin
Peak:m/z	Relative Intensity
53.41915	0.3
59.01389	0.4
59.91168	0.4
63.02410	9.1
65.00334	11.1
67.01910	0.3
67.03687	0.3
68.99831	0.7
69.47328	0.2
69.49412	0.3
72.64810	0.2
75.00179	0.3
83.01392	9.6
86.45922	0.3
101.40184	0.3
107.01397	13.6
108.02186	1.6
110.41818	0.3
117.03469	0.3
120.02242	0.5
123.00877	1.6
125.02493	0.4
127.05492	0.4
130.04236	0.5
133.02985	0.5
134.00868	0.3
136.01665	2.0
141.07112	0.7
142.15392	0.3
145.06601	10.2
151.00392	16.1
152.91768	1.6
164.01192	2.5
169.01440	1.2
169.06625	4.6
171.04539	9.9
172.05333	3.0
183.08176	1.7
185.06099	2.8
187.07646	4.4
187.42911	0.3
193.15926	0.4
194.92870	0.5
211.07713	4.3
211.17004	2.9
213.05598	14.6
227.07224	1.4
255.06656	100.0
255.23392	3.0
256.07043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63452	2.1
57.03460	2.4
59.01393	8.5
60.31771	1.7
69.03464	40.6
71.01408	3.7
71.05031	3.0
73.07636	1.7
76.58266	2.0
81.03487	3.6
95.01402	2.8
95.05050	4.7
97.02952	11.3
97.06571	4.1
103.63366	2.1
123.04599	2.4
123.08137	24.3
124.48190	2.0
125.09756	14.3
136.05292	10.9
137.09729	10.5
149.06110	3.6
149.09604	2.6
151.11238	4.3
152.91777	2.5
161.09715	8.5
177.09142	2.8
179.10796	100.0
183.24463	2.0
205.08679	3.9
207.60091	2.1
211.13438	4.4
223.09828	45.3
255.12395	39.1
255.23318	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	254.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97061	0.5
52.46139	0.5
56.31494	0.5
58.00594	6.3
59.01401	3.4
80.02679	1.3
81.03476	1.2
82.44586	0.6
83.05026	5.4
84.02179	3.0
88.96588	0.7
90.39203	0.6
92.34125	0.7
95.05060	0.8
109.06638	0.7
119.20235	0.6
125.06045	1.0
135.08163	0.9
142.18423	0.8
153.12828	0.7
163.11296	6.9
165.12848	5.8
181.12326	3.1
189.10910	0.8
191.10875	1.3
199.11684	1.3
199.13438	32.3
199.66893	0.7
209.11861	94.4
212.03880	0.7
227.12926	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	255.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85582	0.9
59.01374	1.0
65.00321	1.8
71.60279	0.9
72.16608	0.9
81.03481	5.2
81.33311	0.9
84.18610	1.1
93.03452	1.0
95.01389	20.2
96.92365	1.0
107.01410	24.7
109.02963	6.7
114.36011	1.1
120.99304	1.7
121.02973	2.4
122.00135	1.5
123.00894	9.3
124.01669	1.3
137.02480	5.3
148.98763	1.2
149.99623	11.3
151.00388	53.1
151.53795	0.9
153.01955	10.3
165.01961	4.1
165.99138	2.0
169.01503	1.2
178.99944	4.3
181.01436	9.0
183.03027	6.8
186.48949	1.0
209.00955	20.1
211.02505	2.2
237.00452	100.0
255.01514	56.1
255.23410	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	254.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29895	0.1
59.01387	0.2
76.41376	0.1
87.29701	0.1
93.03450	0.3
94.03809	0.2
121.02954	100.0
122.03290	0.7
124.18611	0.2
137.44348	0.1
138.02769	0.2
158.99524	0.2
211.63774	0.1
273.34610	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	253.0873
Annotation	(R)-4-Methoxydalbergione
Peak:m/z	Relative Intensity
50.84731	0.5
53.34441	0.4
59.01389	18.1
64.35989	0.5
71.01382	7.1
73.42010	0.5
93.03459	75.1
108.02133	0.7
109.02977	3.4
115.00378	1.1
119.05029	2.4
121.02975	4.1
131.05042	0.9
133.01479	0.7
135.04584	1.0
137.02457	100.0
143.05038	0.9
145.02980	2.5
146.03760	11.3
147.04561	5.6
148.46709	0.4
159.04536	1.9
161.04601	0.6
165.00206	0.7
181.06587	0.5
193.07129	2.4
195.04422	0.6
196.05362	0.8
207.08192	1.0
209.06125	6.1
211.07684	3.0
221.81343	0.5
234.06763	0.5
235.07695	15.0
251.07188	2.4
252.08003	2.0
253.08751	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02843	0.4
58.34367	0.4
59.01387	100.0
61.98838	2.7
71.01393	2.9
73.24484	0.5
73.57053	0.5
75.15201	0.4
78.58270	0.5
85.02954	0.9
93.03460	7.0
112.05199	2.2
119.42595	0.6
136.75180	0.6
137.02478	12.1
150.03102	3.3
161.04608	0.8
193.03668	4.2
193.07143	3.8
253.03775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	100.0
60.01702	0.3
71.01385	2.0
73.02943	0.5
77.22343	0.3
89.02461	0.9
101.02431	1.5
115.27199	0.4
117.01926	0.4
132.70509	0.4
137.02443	0.4
148.92961	0.4
161.04561	0.6
173.47156	0.4
181.07156	0.8
183.29083	0.4
193.07195	3.7
268.31033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2175
Annotation	(Z)-11-Tetradecenyl acetate
Peak:m/z	Relative Intensity
51.03930	1.4
51.71367	1.7
53.50964	1.3
55.88231	1.4
59.01390	100.0
60.91837	1.6
64.79147	1.7
101.11488	1.7
113.07413	1.7
125.02432	1.8
156.63133	2.2
157.63002	1.9
161.04636	2.8
189.09908	1.8
193.07178	8.2
217.85001	12.2
222.49100	1.7
230.68169	2.0
253.21817	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	253.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07028	0.2
59.01355	0.3
59.17183	0.3
67.25378	0.3
71.01389	6.8
76.82094	0.4
88.37622	0.4
89.95257	0.3
93.03457	64.1
115.00344	1.5
133.01440	0.8
137.02452	100.0
191.46002	0.4
200.35658	0.3
225.14572	0.4
239.54536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	6.3
72.85596	0.4
85.20900	0.3
93.03463	73.8
105.88441	0.4
115.00382	1.7
137.02458	100.0
138.02783	0.7
271.32739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0719
Annotation	Sporovexin B
Peak:m/z	Relative Intensity
59.01387	3.9
71.01380	5.4
93.03456	52.5
115.00394	0.6
120.08659	0.3
121.02956	100.0
122.03307	0.4
133.01399	0.4
137.02449	70.3
138.02791	0.4
181.91013	0.3
203.59480	0.3
274.15869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.072
Annotation	Sporovexin B
Peak:m/z	Relative Intensity
50.99310	0.5
52.22298	0.4
52.24681	0.5
52.75853	0.4
53.91086	0.4
59.01395	23.3
69.03467	0.7
71.01411	2.1
72.55347	0.6
79.17190	0.5
82.93792	0.5
87.00940	0.7
91.11910	0.5
93.03467	13.6
98.93995	0.5
99.00889	0.6
104.94983	0.6
121.02966	100.0
124.81174	0.6
137.02473	18.5
144.77344	0.5
159.78152	0.5
161.04594	1.1
165.00171	2.0
193.07260	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	251.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	14.3
57.03460	2.5
59.01387	100.0
71.01380	67.7
73.02951	24.0
75.00909	2.6
83.01397	17.2
84.93888	2.1
85.02953	44.3
87.00900	3.3
89.02454	17.0
95.01365	5.7
99.00881	11.9
99.43541	2.4
101.02454	48.3
106.99677	3.3
111.02145	2.4
113.02474	28.2
140.95261	2.5
159.03026	3.1
161.04549	32.2
221.09328	3.5
248.79425	2.4
251.11301	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	251.2019
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01392	2.4
60.18252	0.8
71.47423	0.8
130.94388	1.2
131.94553	1.3
140.45995	1.1
190.97630	1.0
233.19189	1.5
246.81068	1.1
251.20213	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	253.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42035	0.4
59.01384	19.6
59.55117	0.5
71.01381	22.4
73.02963	0.5
93.03458	63.7
115.00373	8.7
133.01390	1.9
137.02449	100.0
153.13737	0.5
161.04599	0.8
193.07166	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	249.1863
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01386	26.7
59.62447	1.8
66.95729	1.9
73.02961	2.1
80.34811	2.2
80.88425	2.1
87.92548	4.5
93.01638	2.5
103.92039	13.4
122.29387	2.3
123.94657	2.5
130.94386	31.2
145.96736	13.7
147.94682	20.1
159.28783	2.5
165.95729	20.8
189.95709	4.6
205.16037	9.4
207.96819	27.5
238.85373	2.5
249.15076	9.1
249.18628	100.0
250.14481	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	250.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78862	0.3
93.03490	0.4
120.58518	0.3
121.02960	100.0
180.20016	0.3
213.76271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	2.2
63.09150	1.2
65.76280	1.1
85.02961	58.5
85.03462	2.1
88.98958	1.1
91.37971	1.3
101.02457	36.0
102.56326	1.1
121.02969	100.0
129.01956	83.8
129.82683	1.3
135.14288	1.1
147.25954	1.2
148.22876	1.2
165.40880	1.7
243.32663	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0564
Annotation	MONO(3-CARBOXYPROPYL) PHTHALATE
Peak:m/z	Relative Intensity
55.45367	0.1
59.01377	0.2
72.85001	0.2
98.75055	0.2
121.02956	100.0
122.03300	0.4
122.86609	0.2
175.12387	0.2
188.40683	0.2
231.18159	0.2
235.01779	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22344	0.4
59.01387	0.7
71.01386	28.4
74.07044	0.4
80.50449	0.4
82.63791	0.4
91.05531	12.8
92.10034	1.2
115.00388	9.1
135.04536	100.0
154.09776	0.4
248.46928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0078
Annotation	2-hydroxyacetaminophen sulfate
Peak:m/z	Relative Intensity
59.01391	0.3
63.97140	0.2
67.44363	0.3
69.81387	0.2
77.89694	0.2
121.05357	1.2
134.44890	0.3
136.05310	9.9
166.05110	100.0
167.05356	0.4
170.29376	0.3
176.07211	0.2
180.01411	0.3
183.14005	0.3
189.58691	0.3
197.52818	0.3
246.00786	9.8
246.03333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1704
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
53.85768	1.6
57.22469	1.8
57.34526	1.8
59.01387	4.9
87.54342	2.0
90.51695	2.0
121.02962	9.2
132.98157	3.2
151.46051	2.1
210.75961	2.4
247.17055	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	249.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95571	0.5
55.83912	0.5
59.01393	3.6
68.63857	0.5
71.01390	7.0
73.02940	17.2
85.02974	0.7
85.81314	0.6
87.00865	1.2
89.02451	0.6
90.93320	0.5
96.95982	3.9
101.02465	1.2
101.06083	100.0
101.73697	0.6
103.04024	1.3
161.06075	0.9
249.09816	4.2
249.15018	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0934
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
51.01917	1.6
58.02988	27.0
63.44388	1.9
64.98914	1.7
66.01151	1.9
67.65366	2.1
70.02996	13.9
72.00951	3.7
74.02477	100.0
84.52340	1.9
85.45698	1.9
91.62122	1.9
98.02483	27.9
113.84199	2.0
116.03585	23.9
116.05056	47.4
130.06598	7.3
142.06625	12.3
159.09172	2.9
159.76930	2.4
183.09322	3.2
189.10117	2.5
201.10484	3.2
203.08318	83.6
227.17537	2.3
245.09372	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
58.02978	2.2
59.01388	49.0
59.18094	0.5
65.00332	30.7
65.06226	0.5
70.02963	0.5
74.02467	6.2
82.97375	0.5
98.02491	1.3
110.17188	0.5
113.09743	2.5
116.05102	2.9
121.02968	9.8
125.09772	0.7
127.11294	2.7
130.06587	0.6
135.04536	63.4
139.11258	2.0
142.06639	1.3
143.05046	0.9
155.10789	5.7
157.12352	25.2
159.09239	0.5
173.06061	2.1
177.74982	0.6
185.11844	12.3
201.05621	3.2
201.11363	1.4
203.08481	5.3
203.12932	100.0
204.13332	0.6
209.11848	1.1
214.98528	0.5
222.32765	0.5
226.05882	0.6
245.09381	5.9
245.13983	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88543	0.7
65.42204	0.9
71.05029	3.4
92.10806	1.9
97.02958	5.3
97.06620	1.1
99.00892	11.1
108.55067	0.9
109.06629	1.2
118.36142	0.9
125.09730	7.1
142.02640	1.2
155.14372	1.1
163.11281	7.5
167.39459	1.0
181.12369	19.1
199.13457	15.6
206.60846	0.9
207.10298	41.7
225.11348	61.7
226.11641	1.0
243.12387	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	243.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12944	1.8
57.03462	9.3
57.05885	1.6
59.01386	90.2
73.02953	1.8
74.02073	1.8
74.39980	1.6
85.30418	1.9
85.88645	1.7
88.19785	1.7
98.29569	1.8
139.11301	48.2
163.11417	2.2
165.09302	2.7
171.36012	2.4
181.12354	30.2
183.10284	62.4
199.13438	24.6
207.10281	3.4
225.11368	22.8
243.12405	100.0
244.09865	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1967
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
59.01394	3.0
61.98832	4.9
71.01363	0.7
92.10161	1.0
106.34659	0.6
110.26295	0.6
183.07664	0.6
197.19160	6.7
201.15114	1.1
225.18668	2.4
241.18039	0.8
243.19687	100.0
244.20081	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01646	0.4
58.02975	0.8
59.01371	0.5
61.98843	5.6
72.04570	0.6
72.99336	0.5
78.95916	100.0
85.02973	0.5
87.00917	0.6
92.10105	1.0
98.02476	2.9
113.03577	2.1
113.06113	0.7
116.07178	0.6
130.08748	8.9
140.07210	0.7
152.86954	0.5
183.11357	0.9
190.36040	0.5
198.07619	0.6
227.10471	1.1
244.00124	3.1
244.12903	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05772	0.5
51.04152	0.6
55.47696	0.5
57.53225	0.5
58.02990	1.0
59.01395	0.8
65.00332	52.3
74.02480	2.1
90.02211	0.6
96.31425	0.6
101.04013	0.8
116.05058	0.8
121.02962	17.1
129.03510	0.7
129.07089	0.7
135.04536	100.0
152.84544	0.6
157.06641	0.9
157.12325	0.8
158.03746	0.6
173.06100	3.5
183.04294	0.6
201.05598	5.8
201.11459	0.9
203.08322	1.2
203.12860	1.1
209.11812	1.2
245.09338	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	241.1084
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
55.41705	0.5
57.03466	0.5
59.01387	29.5
71.01395	2.3
72.99311	0.7
73.02953	0.9
75.00907	0.6
84.02168	0.9
89.02450	1.3
97.06595	1.3
101.02454	0.8
109.02982	0.8
110.03761	1.3
121.02988	2.4
123.03414	0.7
123.08183	4.4
125.09682	0.6
135.08160	3.6
137.09714	5.4
153.09230	26.9
165.56085	0.7
181.07179	7.2
181.08722	7.4
199.09796	100.0
200.10065	1.0
241.10799	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	241.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01390	1.5
70.61447	0.5
71.01396	2.7
83.05025	4.8
84.67675	0.6
95.05046	2.6
97.06590	11.4
101.02427	1.0
103.55612	0.6
111.08173	11.3
123.08144	0.7
139.21846	0.6
147.11800	0.7
149.09711	0.7
163.11310	4.2
165.12856	100.0
181.07240	9.4
197.13870	0.9
197.15500	18.6
209.11810	2.4
235.59706	0.7
241.14365	1.1
258.62979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2176
Annotation	Pentadecanoic acid
Peak:m/z	Relative Intensity
59.01393	24.8
61.98829	37.7
61.99076	2.4
62.16440	2.3
62.92900	2.5
70.08715	2.3
71.01384	20.5
73.02937	3.3
77.22971	2.2
87.42964	2.5
89.02451	6.0
95.34801	2.3
99.92585	3.8
101.02474	13.3
108.98981	2.8
112.86950	3.2
115.92069	2.8
116.92912	4.6
119.03506	3.5
131.71463	2.5
134.89540	5.3
158.94019	2.4
160.84177	3.5
181.07182	59.2
187.58066	2.7
224.49193	3.3
225.02478	2.9
241.21758	100.0
241.79311	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	241.1084
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
55.01908	1.0
57.03452	1.0
69.03474	4.0
71.05028	5.1
82.00293	1.0
87.64576	0.9
92.10093	1.7
97.06613	1.0
102.73866	0.8
103.60749	0.8
108.12317	0.8
125.09726	3.5
126.39492	0.8
151.11295	1.0
151.86830	0.8
153.12845	4.4
165.65965	0.8
179.10774	7.4
181.07339	1.2
197.11867	100.0
209.79442	1.0
223.09821	3.5
241.10867	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.6
59.66302	0.4
71.01377	2.9
75.90587	0.4
76.25019	0.4
82.04522	0.3
83.87501	0.3
89.02462	1.4
91.38956	0.4
92.10128	0.3
93.03447	1.7
95.84597	0.3
97.28201	0.4
121.02957	100.0
122.03363	0.5
137.02475	0.9
143.49399	0.4
179.05736	0.4
236.51758	0.4
239.05591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.5
64.34563	0.3
71.01378	3.1
71.64749	0.3
72.00742	0.4
89.02469	1.9
91.01889	0.8
93.03409	0.3
95.01418	0.4
96.25080	0.3
101.02449	0.7
103.71848	0.3
107.12870	0.4
113.95151	0.3
117.48685	0.3
121.02961	100.0
122.03310	0.5
133.06584	0.4
151.02255	1.5
179.05554	0.7
194.99336	0.8
195.01247	0.6
206.07405	0.3
239.05659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.9
57.03461	4.0
57.15026	2.5
59.01388	100.0
60.07134	2.4
61.98846	3.5
65.07904	2.5
67.01897	3.7
69.03470	3.4
71.01384	45.9
71.35039	2.5
76.72521	2.6
81.03477	2.6
83.05054	17.0
84.02208	3.1
85.02962	68.6
87.00897	6.7
89.02456	39.8
97.02966	21.2
101.02454	6.0
110.70251	2.8
113.02435	4.4
114.25163	2.8
119.03513	5.2
121.02966	6.9
129.12151	2.5
137.34775	2.4
155.10866	3.4
158.90991	2.5
161.04509	5.7
171.10355	21.2
177.12868	3.8
179.05659	33.0
179.07098	3.8
193.12331	4.8
195.13910	5.3
221.11864	37.0
239.12962	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.129
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01901	3.5
57.03462	17.4
57.22182	1.6
59.01391	24.5
65.05317	1.6
67.01912	4.6
67.29151	1.9
68.87795	1.6
69.03483	7.8
71.01384	11.7
75.59756	1.7
78.13511	2.0
80.02679	2.7
81.03474	7.9
83.01438	2.3
83.05032	29.0
84.02187	12.0
85.02960	100.0
85.03465	3.9
89.02462	12.4
95.05009	2.3
97.02944	39.2
109.06610	3.2
110.03732	9.2
121.02953	2.3
142.02675	3.4
155.10771	3.8
171.10303	24.4
177.12904	9.8
178.39070	2.1
193.12340	7.8
195.13898	3.5
221.11890	73.1
239.10736	2.4
239.12910	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.9719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
64.07813	0.1
64.86495	0.1
71.01371	0.7
76.56626	0.1
78.95918	0.2
79.43459	0.1
79.95745	0.2
89.02454	0.5
92.10870	0.1
95.95264	0.1
96.96008	4.7
101.02424	0.1
106.04992	0.1
119.93650	0.5
134.96094	6.9
136.94016	89.9
137.94078	1.2
138.94475	0.1
151.92734	6.0
154.95079	0.6
158.92540	0.1
165.44220	0.1
169.93799	0.1
178.95084	100.0
179.05646	0.4
179.95177	1.8
196.96150	3.0
196.97949	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	237.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39491	0.1
71.01392	22.9
93.03444	0.2
115.00380	8.2
119.75108	0.1
121.02961	100.0
122.03370	0.1
159.51895	0.1
167.79140	0.1
203.17299	0.2
237.04100	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0619
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
50.18803	0.4
57.03453	3.6
59.01386	1.8
61.45289	0.3
61.87849	0.4
71.01388	0.8
85.02955	1.7
87.00882	100.0
92.10143	0.5
129.01073	0.5
129.01958	9.7
162.32811	0.4
237.06206	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	237.1498
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
58.95606	1.7
59.01389	39.4
61.98844	3.4
65.32176	1.8
69.03469	4.4
71.01386	24.1
78.40292	1.9
79.70794	1.8
79.86479	1.8
82.13091	2.2
97.06565	16.2
115.00344	7.3
120.81336	1.9
121.02963	100.0
122.03274	2.4
123.00954	2.8
123.08169	12.8
129.02026	3.2
139.07658	2.3
147.11769	3.2
175.14961	2.0
179.10779	11.3
192.99673	2.3
203.47047	2.0
211.92224	2.4
237.14996	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30582	1.3
56.86772	1.5
58.94144	1.5
59.01389	89.0
61.93724	1.5
61.98856	3.4
66.60849	1.8
71.01379	13.1
72.99320	7.8
74.02880	2.0
75.00897	2.0
84.00948	3.1
87.00884	32.8
87.01292	1.7
89.02483	3.5
98.02510	2.1
99.00901	10.7
99.23643	1.6
100.98827	20.8
101.54826	1.7
109.98863	3.5
112.98820	22.2
113.99224	2.0
115.00385	100.0
117.01980	7.7
126.01960	4.3
127.99912	45.3
137.66408	1.7
142.01489	60.5
142.99898	9.5
145.01512	1.9
147.14133	2.3
161.00937	12.9
170.00974	8.8
176.03528	7.3
188.02003	15.3
202.03645	3.3
238.07260	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	238.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35112	0.3
56.33413	0.4
59.01389	1.7
66.15762	0.4
71.01385	20.1
71.01781	0.7
75.11253	0.3
75.11765	0.4
78.03497	0.9
115.00378	8.8
122.02490	100.0
215.28418	0.4
225.93661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.9
59.28370	0.1
61.98853	0.7
69.03463	0.4
71.01389	0.9
83.05022	0.2
89.02460	0.7
97.44962	0.2
106.34841	0.2
121.02948	0.7
122.03305	0.8
161.49260	0.2
165.12863	0.6
167.10785	0.4
167.14436	0.9
169.25342	0.2
178.23920	0.2
181.12434	0.2
183.13922	9.5
193.12383	2.8
211.13446	100.0
212.13824	2.0
218.13754	0.2
241.60805	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0985
Annotation	CHEBI:133389
Peak:m/z	Relative Intensity
51.24034	0.7
53.79984	0.6
59.01385	5.1
59.58601	0.7
68.87623	0.6
71.05019	21.2
72.00906	1.4
72.99338	0.7
73.02943	0.8
73.54296	0.5
86.02483	9.5
87.00879	3.7
90.73047	0.7
92.10141	2.5
95.69505	0.7
99.04515	5.7
104.03542	100.0
116.07175	3.4
129.05591	1.2
132.03041	1.4
146.08253	13.9
147.06667	1.2
158.08218	0.7
177.81781	0.6
186.57407	0.6
188.09271	6.8
234.09856	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	11.4
57.03461	2.7
59.01385	100.0
65.12753	1.9
71.01379	41.3
72.99310	2.1
73.02945	16.2
83.01392	15.0
85.02956	26.4
87.37965	2.0
89.02451	3.0
95.01399	2.0
97.15936	1.8
99.00874	4.8
101.02450	41.7
113.02480	12.5
124.42426	1.8
148.07713	7.9
159.02972	2.3
161.04565	8.5
171.83850	2.1
235.11842	13.0
253.35965	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	236.093
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
59.01398	6.2
61.98848	2.5
64.69758	1.6
71.01408	3.0
80.25167	1.4
81.96960	1.8
87.00908	9.4
88.04045	100.0
91.05537	3.2
100.04067	11.5
107.03001	1.8
118.06662	1.5
146.09770	8.0
147.04523	20.5
148.07611	1.9
164.07185	20.2
174.09360	2.1
190.08723	3.5
192.10339	15.8
236.09309	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	25.1
75.70657	0.2
75.95551	0.2
85.97034	0.2
114.41981	0.2
115.00386	8.3
116.47367	0.3
121.02963	100.0
145.74458	0.2
182.39481	0.2
186.01694	0.2
204.97090	0.2
221.12465	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63042	0.4
57.24866	0.4
59.01390	21.1
61.87021	0.4
65.23206	0.4
73.48927	0.4
74.99081	5.6
75.00842	0.5
91.02216	0.4
93.00130	5.2
93.03463	2.6
93.63817	0.4
105.96672	0.5
111.04500	0.5
134.99391	8.3
135.42656	0.4
136.97330	3.4
149.00974	79.7
150.98901	1.1
159.08469	3.8
161.06413	5.4
168.89919	0.5
173.04491	0.6
186.12576	0.5
188.98546	0.6
215.05713	2.2
217.07254	100.0
218.07393	0.8
232.97577	0.8
233.10388	77.6
234.10506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83640	0.5
56.50915	0.6
57.72563	0.5
57.83054	0.7
59.01396	11.5
64.98006	0.6
74.99082	6.5
91.02186	0.7
93.00163	3.5
108.67133	0.7
123.51376	0.8
134.99435	8.0
136.97343	3.2
149.00977	69.2
150.98935	1.1
159.08540	2.9
161.06415	5.0
169.67723	0.8
174.94209	0.8
217.07254	100.0
227.54683	0.8
233.10391	75.5
233.15335	1.5
234.10663	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.6
57.03454	17.7
59.01384	100.0
61.43095	1.3
61.63410	1.3
61.98859	1.4
67.01910	9.3
68.99837	2.2
71.01381	76.5
72.99311	2.5
73.02946	14.8
78.79007	1.5
83.01392	21.9
85.02951	11.1
87.00859	5.2
93.03459	7.0
99.00880	39.2
101.02444	7.8
111.00895	28.1
111.04440	1.6
112.98807	34.7
115.00369	2.6
129.01941	26.0
135.04524	2.6
145.01436	5.9
173.00874	8.0
173.04562	7.1
233.06686	5.9
236.02597	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	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.26673	0.4
51.43183	0.4
52.04760	0.4
54.83020	0.4
57.03438	0.4
58.96423	0.4
66.34128	0.4
66.86545	0.4
68.61839	0.4
74.43195	0.4
75.25901	0.5
92.66161	0.6
139.11269	0.5
165.12854	1.1
167.14424	43.7
185.15588	1.5
211.13438	41.2
229.14482	100.0
230.14876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.9924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25725	0.1
70.63296	0.2
75.97875	0.2
90.42202	0.2
92.10860	0.3
98.50694	0.2
110.62997	0.2
122.03738	10.7
152.03549	100.0
153.03886	0.9
231.99217	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	227.1291
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
50.44542	1.4
56.86404	1.0
57.43716	1.2
58.00604	7.7
76.25577	1.2
81.03481	1.6
83.05029	5.4
84.02198	2.7
121.02997	4.8
133.03058	1.6
135.04555	1.7
161.02391	1.8
163.11307	7.2
165.12825	6.3
171.13965	2.1
181.12302	3.0
199.13438	34.1
209.11862	100.0
227.12949	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	227.1655
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
59.01408	2.0
59.33617	1.4
69.63843	1.4
71.01411	2.2
81.07119	2.0
93.33636	1.4
96.28821	1.5
103.06530	1.5
181.07220	6.6
183.13925	10.6
197.15477	13.8
209.15480	17.6
227.13098	3.8
227.16566	100.0
227.20062	4.6
228.16986	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	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.60901	1.7
54.54518	1.6
55.68478	1.7
58.91504	1.9
60.08126	1.8
61.91817	1.6
68.30167	1.7
79.28524	1.9
120.51991	2.2
165.12865	20.7
183.13916	100.0
189.69167	1.9
209.11780	1.9
227.12883	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	227.1292
Annotation	(-)-12-hydroxy-9,10-dihydrojasmonic acid
Peak:m/z	Relative Intensity
52.90025	0.8
52.96791	0.9
54.49124	1.0
57.03456	4.5
59.01393	2.3
64.74177	0.9
69.03465	1.9
70.79465	0.9
71.01390	1.6
81.03490	1.6
83.05027	9.3
86.25163	1.0
92.10148	2.0
92.38193	0.9
95.05014	10.0
97.06583	30.3
109.06644	1.2
112.98834	1.1
123.08177	1.6
133.10234	4.8
133.63226	1.0
135.08156	2.3
149.09723	4.9
151.11296	100.0
170.14897	1.0
181.07159	4.9
181.08714	1.9
183.13896	5.6
191.07188	1.9
195.10280	14.7
209.11804	1.5
213.11356	2.4
227.04796	18.2
227.12886	20.5
227.16563	1.2
227.20308	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	227.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
72.65273	0.6
74.49043	0.5
80.02692	1.4
81.03481	2.6
83.05038	10.3
84.02180	7.0
91.03340	0.6
93.03467	1.5
96.11279	0.6
109.02979	0.6
121.02944	11.5
125.06129	0.6
125.09731	0.8
133.02940	1.3
135.04585	4.6
135.08115	0.9
147.11826	0.8
161.02446	5.2
163.11273	6.7
165.12848	3.8
166.51611	0.7
173.04582	5.9
179.03557	1.1
191.10886	1.0
209.11873	100.0
210.12251	0.7
227.12914	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	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58865	0.6
54.83013	0.7
66.60567	0.8
71.05061	1.1
72.03429	0.7
80.02704	3.0
83.05036	6.8
84.02171	5.7
86.07553	0.7
92.10862	2.4
102.75148	0.7
124.17864	0.7
163.11298	6.5
165.12871	4.1
181.12337	0.9
191.10814	1.5
209.11867	100.0
210.12177	1.2
227.12880	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	227.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
67.01894	7.7
71.01383	9.5
80.61164	0.3
86.28265	0.3
110.06110	1.5
111.00880	28.6
115.00365	3.1
120.04553	0.3
153.60603	0.3
158.18513	0.3
164.03540	5.8
181.07216	2.7
189.05592	0.4
212.07040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0929
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
53.19481	0.4
54.83066	0.4
55.79525	0.4
59.01389	0.6
64.41980	0.4
67.62212	0.4
67.94379	0.4
68.19955	0.4
71.01382	0.6
72.99310	100.0
75.00887	4.0
84.04655	0.4
86.17937	0.4
92.10875	0.6
97.02978	0.7
97.15769	0.4
98.03877	0.4
100.41671	0.4
108.99628	0.4
114.20284	0.5
114.39754	0.4
137.06113	0.4
138.06862	3.4
139.07632	3.7
151.07643	5.0
152.04866	0.8
152.08435	4.6
153.09250	1.1
165.09247	5.7
167.07164	0.6
209.08267	2.7
227.09293	42.4
228.09608	0.6
244.99986	0.5
249.95229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	21.9
69.03478	3.4
70.90298	1.8
76.89117	1.8
77.38263	1.7
81.03469	13.1
83.05041	8.7
84.02200	10.0
91.55956	1.8
93.03462	3.6
97.02955	15.8
109.06607	74.2
110.03786	3.7
121.06611	4.5
123.21032	2.1
135.08189	12.3
136.05357	2.7
141.35504	1.8
142.02766	2.3
161.09727	8.0
163.11295	44.0
181.12358	29.8
207.10316	100.0
225.11349	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1498
Annotation	Annuionone E
Peak:m/z	Relative Intensity
50.05850	3.9
57.23993	3.9
59.01395	21.9
61.98851	3.3
64.24435	3.4
69.73021	3.7
76.57645	3.7
79.16463	3.1
82.48225	4.4
89.02482	5.6
89.33158	3.2
93.03464	4.9
120.89542	3.8
195.13890	5.9
204.31563	3.8
207.13972	20.1
225.15010	100.0
247.95622	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	227.02
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.9
57.03465	3.2
58.97150	0.6
59.01377	9.5
59.01604	0.5
63.53041	0.6
66.26912	0.5
67.01533	0.9
67.01894	25.9
71.01382	47.4
72.99280	0.6
73.02966	4.1
78.99049	0.7
83.01405	4.7
83.38821	0.6
84.12679	0.5
84.99344	0.8
85.02969	4.2
87.00900	3.9
89.02449	7.4
91.03928	0.6
97.01161	5.6
99.00879	15.8
101.02431	6.5
102.63055	0.7
111.00887	100.0
112.98814	39.7
112.99609	1.2
115.00362	9.9
119.03478	0.8
129.01942	5.6
132.49683	0.7
139.02255	3.7
142.99870	4.0
173.00916	9.3
181.07201	27.3
185.08272	0.9
191.02002	3.1
208.98492	0.7
226.99696	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	223.1343
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
59.01394	27.2
64.34895	2.0
69.03474	8.4
84.97081	1.9
93.70412	1.9
124.32028	2.0
149.09837	2.2
167.10867	9.0
177.12886	2.9
179.10727	3.8
179.14430	9.0
195.13940	31.6
205.12384	19.6
223.13446	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	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81169	1.0
58.48183	0.9
59.01389	5.4
73.02934	1.1
89.76781	0.9
89.91565	1.0
92.86608	1.0
93.03461	2.0
97.02960	13.3
99.00880	1.5
109.06635	6.2
110.03767	7.3
120.42850	1.0
129.21275	1.1
135.08237	1.3
136.05293	1.7
142.02760	7.3
152.67307	1.1
161.09703	1.5
163.11293	17.2
181.12375	40.1
207.08305	1.9
207.10315	89.6
225.11378	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	219.106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24403	0.2
52.06528	0.2
54.64439	0.2
57.27288	0.2
59.01394	100.0
60.01712	0.2
67.78437	0.2
72.40027	0.2
72.93426	0.2
80.47529	0.2
101.06097	0.4
131.99593	0.2
161.02454	0.3
203.80289	0.2
227.46794	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.6
55.01885	4.7
56.24530	0.5
57.03459	4.5
57.90230	0.5
58.00605	0.7
59.01387	100.0
61.90053	0.5
70.36365	0.5
71.01386	22.0
72.99319	2.8
73.02950	9.3
74.02493	3.6
76.09185	0.6
76.64236	0.6
78.60529	0.7
81.03452	0.6
83.01377	6.3
85.02950	14.9
85.03390	0.8
86.00124	0.7
86.02517	0.8
87.00864	0.8
87.04525	0.7
89.02460	4.7
93.45100	0.6
94.60783	0.8
97.02966	0.9
99.00907	2.5
101.02444	18.1
113.02464	8.9
118.17416	0.8
129.01953	6.3
131.03516	1.4
147.04573	0.9
159.02997	0.7
160.44937	0.7
161.04601	11.1
164.07217	0.7
177.22351	0.6
221.10335	6.1
222.07765	1.3
230.23859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	13.3
56.53293	1.4
57.43406	1.3
59.01384	39.3
59.01650	1.7
59.76703	1.3
60.99312	52.9
61.34537	1.3
71.01385	43.2
72.99322	3.3
73.02965	13.2
78.95904	1.9
82.03004	8.1
83.01394	99.6
87.00887	14.7
88.04060	9.2
91.13052	1.5
93.03479	2.1
96.04623	1.4
96.96036	9.3
96.97007	2.2
98.02521	5.3
99.00885	28.4
100.75518	1.3
101.02436	1.6
101.81250	1.4
110.02502	7.6
110.06161	2.2
111.04513	2.2
111.28916	1.3
112.04091	1.6
115.00386	100.0
127.00392	6.1
128.03511	1.3
145.01456	82.5
145.02637	3.0
154.05127	2.3
156.03026	6.0
170.04640	2.5
189.00401	32.0
198.04086	5.5
216.05162	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	216.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46508	1.1
55.01890	12.4
59.01109	2.4
59.01390	44.9
60.99315	51.7
71.01384	40.7
72.99317	6.7
73.02935	13.4
82.02957	1.4
83.01393	96.2
87.00870	14.0
88.04051	2.4
93.03450	1.5
98.02460	1.8
99.00882	28.2
105.64281	1.3
110.02480	2.9
115.00380	100.0
127.00391	5.1
128.05087	1.8
141.90013	1.4
145.01443	76.6
154.05090	1.4
155.72180	1.5
156.03119	1.9
173.04529	1.4
189.00424	35.6
198.04111	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1035
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
56.42178	1.0
56.86513	1.1
59.01389	13.5
65.06030	1.3
67.46098	1.3
69.03468	1.5
71.01379	14.8
71.05026	27.1
72.99315	9.6
73.02964	1.2
87.00894	2.9
88.04045	100.0
89.04396	1.2
96.04579	2.6
98.93044	1.2
99.04530	9.8
103.04034	2.2
116.07198	1.9
117.24663	1.3
118.98073	7.2
135.90077	1.7
140.03613	2.6
140.07249	1.6
146.08250	60.9
157.07732	26.5
218.10353	29.2
219.07770	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	212.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43009	1.1
55.01898	5.9
57.03477	3.1
59.01386	2.3
60.42665	1.2
68.99841	2.4
69.70951	1.3
71.04707	1.6
71.05030	12.8
72.99339	8.0
79.05560	8.6
83.01408	2.3
83.05039	3.1
84.02183	48.2
84.02646	2.2
85.02979	11.7
85.06602	34.1
92.10735	1.8
94.03015	1.5
95.05038	68.2
95.05607	2.7
97.06595	2.1
99.04509	2.1
100.00421	18.7
111.04564	6.9
112.01696	23.1
113.02471	30.0
113.06105	100.0
122.71168	1.5
123.04535	35.4
131.31155	1.5
133.78970	1.6
141.05600	19.8
150.01039	2.2
168.01968	1.7
185.04581	11.3
205.89111	1.6
206.05972	1.5
212.02554	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	213.1499
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
53.98544	1.0
62.60084	0.9
64.34595	0.9
65.18459	1.0
77.92710	1.1
92.10806	2.9
104.63366	1.0
124.51318	1.0
167.06616	1.0
183.13928	16.2
195.13930	20.7
213.15004	100.0
214.15239	1.8
222.99530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09842	0.3
56.12543	0.3
59.01390	1.8
64.34535	0.4
71.01402	3.0
72.99318	100.0
74.97886	0.4
74.99363	0.4
77.69400	0.3
78.71121	0.4
78.95924	5.7
101.00961	0.6
116.94111	0.4
117.00451	22.7
118.59531	0.4
119.68547	0.4
127.02525	1.8
129.00423	0.5
133.01468	0.5
135.62645	0.4
154.90701	0.4
154.91629	5.3
171.01498	0.8
172.99431	93.2
173.99524	3.1
215.00536	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	215.1655
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
59.01372	0.5
71.01391	0.6
94.90199	0.4
99.88838	0.4
139.11307	0.9
169.15979	6.7
183.10280	1.7
197.15474	2.1
213.15112	0.7
215.16566	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	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
50.28794	1.0
58.33763	1.0
59.01382	2.8
65.69468	1.0
65.73399	1.1
84.82832	1.1
92.99256	1.2
95.01391	1.7
134.20972	1.1
158.15631	1.2
164.98387	2.3
183.13918	15.8
193.12456	2.3
211.13443	100.0
212.13966	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	3.2
66.72633	1.4
71.01407	2.4
76.14655	1.2
85.05938	1.6
95.01417	1.7
115.28822	1.4
151.06134	3.4
167.10693	1.7
167.14493	1.8
183.13924	12.4
193.12321	1.7
211.13437	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	211.9057
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05807	1.2
59.01391	23.7
60.01736	1.9
61.98840	100.0
64.27316	1.2
64.97016	1.4
69.07137	1.1
69.10802	1.3
69.38599	1.2
70.41829	1.2
71.49584	1.3
95.41633	1.5
103.92017	14.9
121.92292	38.9
122.89439	6.7
123.90186	5.9
124.89412	2.0
126.89090	2.7
133.68922	1.4
141.91267	6.1
153.91420	2.2
165.91293	9.6
167.94081	1.9
183.92303	29.8
184.90729	1.5
185.90331	1.9
211.93088	1.5
212.07466	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	209.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43618	0.8
55.01897	5.5
55.77440	1.0
57.03457	34.5
58.00607	1.2
59.01388	77.2
64.62165	0.9
68.99824	1.7
71.01385	30.0
71.12724	0.9
72.99313	28.9
73.02953	1.5
75.00884	5.0
83.01405	5.9
84.02185	5.3
85.02956	100.0
85.23805	1.1
87.00880	25.9
89.02457	14.2
91.00337	1.7
93.03429	1.8
96.96920	1.7
97.02965	1.8
99.00899	2.4
101.02429	1.6
111.00896	4.5
115.00422	1.8
121.02976	5.5
121.26894	1.0
127.18893	0.9
129.01068	1.8
129.01962	32.2
129.55956	0.9
133.01445	6.8
135.03041	1.6
141.01950	1.3
142.99889	1.2
147.02989	1.1
147.04561	2.4
159.02992	6.7
165.00237	2.0
165.01881	1.7
172.19398	1.2
191.02202	7.6
191.03391	8.1
191.39201	1.3
209.03062	14.2
209.04854	3.3
209.06694	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0459
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
51.79973	0.3
59.01387	4.9
66.02319	0.3
69.90101	0.4
72.99319	1.6
73.01665	0.4
74.30692	0.5
89.02476	0.4
91.01911	2.2
91.14949	0.5
104.69392	0.4
119.05042	1.0
120.02168	5.5
121.02960	100.0
122.03323	2.2
135.04579	0.5
136.01682	1.9
137.09746	0.5
143.48381	0.5
147.04518	2.1
155.73772	0.4
160.15381	0.4
165.00163	3.5
166.81938	0.5
191.03551	5.2
208.99156	0.5
209.04590	14.8
217.43546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99310	0.4
58.61118	0.4
59.01395	100.0
71.01392	0.8
72.99314	0.8
80.96520	0.5
85.02954	1.0
86.78051	0.4
89.02460	2.9
95.95019	0.4
107.36271	0.4
112.98835	1.0
117.01968	0.4
124.98887	0.5
142.99889	5.5
145.86711	0.5
153.68149	0.5
173.00916	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	2.5
57.03466	24.3
58.00617	1.4
59.01393	100.0
63.34846	0.9
71.01387	15.0
72.99314	11.7
73.02958	1.9
80.96555	1.2
83.01413	2.6
84.02192	5.8
85.02959	59.4
87.00877	24.2
89.02445	12.7
91.00435	1.0
91.40810	1.1
92.65779	0.9
97.02961	1.1
99.00914	2.4
101.02475	5.2
111.00883	4.4
121.02945	2.7
129.01944	26.6
141.01962	1.9
159.02989	6.0
201.60866	1.1
209.06703	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0307
Annotation	D-Galactarate
Peak:m/z	Relative Intensity
52.55712	1.3
53.71465	1.1
55.01880	3.3
57.03457	44.7
59.01388	34.8
59.01658	2.2
63.72312	1.0
67.01908	1.8
71.01395	36.6
72.99313	10.0
74.21020	1.3
75.00878	7.8
77.00712	1.2
78.95921	14.4
83.01402	7.0
84.02177	5.0
85.02965	100.0
87.00887	93.9
89.02447	14.8
92.10687	2.0
96.96969	12.4
99.00882	1.6
101.02470	5.2
110.98510	1.6
111.00899	10.6
117.33266	1.2
129.01956	23.8
133.01427	8.2
141.01924	1.7
147.02992	9.7
157.53975	1.3
159.02922	2.0
169.11864	1.4
177.95271	1.5
191.01996	13.2
209.03070	22.8
209.06688	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11635	0.5
50.43449	0.6
52.50148	0.5
59.01387	97.9
69.81949	0.6
72.99305	11.9
84.86485	0.7
86.62431	0.6
92.10820	1.4
103.05573	1.2
119.05039	12.4
147.04541	100.0
148.04865	1.6
162.40535	0.7
163.01936	0.9
165.05583	81.8
166.06018	1.2
185.17262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95161	1.1
54.65366	1.3
55.01881	1.2
57.03459	1.9
59.01386	38.1
65.50848	1.2
67.01556	1.4
68.99784	1.2
69.30331	1.0
71.01379	11.0
75.00887	1.6
77.74740	1.3
89.02474	1.3
95.05020	1.7
99.00905	11.8
101.02456	1.4
105.03464	5.2
109.06613	11.1
109.19019	1.4
116.57967	1.2
129.01971	7.4
133.02951	44.9
139.66832	1.4
147.03006	15.2
147.04520	3.2
149.02489	3.1
163.11220	1.5
164.04807	2.2
165.05566	3.2
165.73239	1.3
177.01955	10.8
188.18457	1.4
192.04309	100.0
207.06656	18.9
207.10255	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	206.046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16515	2.0
59.01383	18.4
59.22213	1.9
62.29458	1.9
64.34531	2.2
71.01379	9.8
71.62673	2.1
72.99301	32.2
75.00879	16.3
90.98598	3.5
98.39875	2.2
99.00878	3.9
100.00413	74.1
106.99583	2.6
107.05045	35.1
115.00382	2.4
117.03477	20.4
121.02911	6.9
129.26518	2.1
131.64574	2.4
135.03014	20.2
135.04536	5.0
144.04558	3.7
147.02924	3.0
151.04018	22.6
164.89511	3.7
179.03522	100.0
205.16034	26.8
205.36693	2.3
206.16373	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0824
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
56.17312	1.2
58.02982	41.9
58.03244	2.3
60.18286	1.0
61.94461	1.1
70.02983	11.4
72.00915	5.7
77.18371	1.3
86.36160	1.3
91.05534	20.0
92.10160	1.5
123.31451	1.3
147.04535	47.8
150.15181	1.3
155.78040	1.3
164.07196	100.0
206.08260	40.4
206.16211	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	205.0873
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
51.69568	0.2
57.58082	0.3
59.01387	0.3
61.61758	0.2
80.01308	0.2
83.36735	0.3
85.56227	0.3
93.03463	1.2
106.04250	88.2
107.04588	1.4
108.02158	0.4
109.63205	0.3
121.02940	0.5
138.03238	20.8
146.07384	0.6
150.03236	5.5
161.09735	100.0
162.10100	1.1
162.89320	0.4
182.02216	8.6
205.08734	56.5
205.15993	11.2
206.09067	0.6
222.73325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0357
Annotation	2-Methylcitrate
Peak:m/z	Relative Intensity
52.80648	1.6
53.00318	1.4
55.01895	3.6
57.03450	8.0
59.01389	63.4
67.01901	3.9
68.99832	3.2
71.01385	45.6
71.05011	3.8
72.99308	64.2
72.99691	3.3
73.02950	9.2
75.00882	16.4
82.24759	1.5
83.01402	10.9
85.02937	3.9
87.00874	16.3
89.01998	1.7
89.02453	16.6
95.82575	2.0
99.00880	42.1
99.04513	3.3
101.02441	11.4
111.00899	15.5
112.98814	100.0
115.00372	26.1
117.01930	9.2
120.08260	1.8
123.48485	1.7
124.98814	3.1
125.02438	19.8
127.00384	2.1
129.01935	8.6
140.29716	2.0
142.99875	4.4
143.03448	2.3
145.01456	22.7
154.99872	2.5
173.00928	7.4
177.03363	1.8
187.02475	2.3
205.03542	4.2
205.16000	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45451	2.2
52.07960	2.2
53.49741	2.2
55.01892	10.4
57.03461	11.8
58.00602	3.3
59.01386	100.0
60.04036	2.5
67.01905	6.1
68.99841	6.0
71.01383	68.3
71.05043	4.9
72.99308	55.1
73.02934	17.5
75.00873	30.8
81.03464	3.8
83.01394	28.6
83.05017	2.6
85.02964	11.5
85.54200	2.3
87.00876	67.3
92.10818	2.8
96.99335	8.7
99.00893	40.8
99.04523	16.3
101.02468	19.3
103.00363	3.4
111.00897	81.0
112.98808	30.4
115.00376	81.8
115.04007	4.3
117.01947	15.2
124.98822	16.2
125.02435	62.7
127.00389	12.6
129.01949	17.7
137.65981	2.3
142.99884	20.3
143.03548	5.5
145.01439	28.7
154.99910	17.2
158.87199	2.6
173.00836	20.1
175.02483	4.4
187.02554	10.4
205.03572	22.9
205.15976	16.3
205.37889	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	203.0829
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
50.60727	0.8
50.71534	0.7
54.82668	0.8
55.35449	0.6
59.01400	1.5
72.00901	18.1
72.01269	1.1
74.02475	28.3
104.13432	1.0
116.05066	100.0
117.05338	1.0
130.06645	3.3
142.06630	28.2
159.09297	14.1
186.05632	3.7
187.36989	0.9
203.08301	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1292
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
52.12569	0.6
52.31194	0.5
99.08167	0.7
104.21938	0.7
115.12086	0.7
122.38608	0.6
125.09739	0.9
127.11292	18.0
155.10811	11.4
157.12350	55.0
180.71542	0.8
201.11298	0.8
203.12930	100.0
204.13275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89315	0.6
57.03449	1.4
58.14742	0.6
59.01381	7.7
70.21121	0.7
71.01385	1.0
72.99284	0.8
74.89366	0.7
83.67490	0.6
97.06574	0.9
123.62571	0.7
125.09731	0.8
127.11290	17.9
129.01953	3.1
155.10768	13.3
157.12352	54.8
158.12659	1.0
160.89328	1.2
203.12933	100.0
204.13213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06107	1.1
55.01898	1.4
57.03455	3.1
59.01388	26.8
60.21031	1.0
60.99333	1.2
64.76903	1.2
69.03458	41.6
71.01385	46.5
71.01778	1.8
71.05036	1.3
72.99335	2.8
74.02508	1.6
75.00882	2.6
79.01914	5.2
85.02953	5.4
87.00877	10.1
95.01387	5.3
95.05024	16.7
97.02950	49.9
97.03577	2.0
97.06576	33.3
98.00095	1.4
98.44938	1.4
99.00903	1.8
99.04533	1.5
105.79481	1.4
111.00940	1.8
113.02459	64.0
113.03249	2.5
115.00379	5.1
115.04028	2.5
115.07656	45.9
116.07175	2.0
117.07535	2.1
123.00893	1.6
125.02443	43.0
129.01918	2.0
141.01971	15.9
141.05597	100.0
157.03355	2.1
158.08195	1.5
159.06616	6.6
176.58211	1.4
185.04565	94.5
196.10461	1.4
203.00157	2.5
203.02019	58.5
203.05647	44.4
204.08705	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33329	0.7
50.50686	0.7
51.63046	0.7
52.21948	0.6
57.03463	1.0
58.00620	1.5
58.02991	3.5
59.01392	100.0
60.01735	0.9
64.47787	0.8
68.21226	0.9
71.01385	9.6
72.99322	5.1
74.02486	1.8
75.00875	7.1
77.75587	0.9
84.00933	4.1
84.04585	1.2
84.99400	0.9
85.02966	0.9
86.06136	1.1
87.00893	2.1
87.38705	0.9
91.70361	1.0
92.10815	0.8
95.15144	0.8
96.04603	1.0
98.06110	3.0
99.00877	7.0
100.04057	5.3
100.98818	6.3
109.98861	5.8
112.98065	1.4
112.98824	28.2
115.00381	80.4
116.07181	9.2
117.01949	7.7
126.01987	1.3
128.07245	1.3
138.05586	1.4
140.07182	4.4
142.00426	1.6
142.01477	30.0
142.99850	3.8
145.01492	1.3
156.03029	4.0
158.08252	1.8
202.07248	5.6
203.02098	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.02
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
50.31435	1.0
51.00823	1.0
51.02384	1.7
51.73933	0.9
55.01888	1.8
57.03460	6.0
59.01382	17.7
59.06334	1.2
62.97964	1.2
65.49628	1.0
67.01888	1.8
69.03461	76.8
71.01386	58.5
72.99316	7.6
74.02487	5.1
75.00882	6.2
79.01891	12.7
80.66533	1.2
83.01395	2.0
85.02955	11.9
87.00429	2.1
87.00864	13.6
90.84249	1.4
92.10772	1.2
95.01382	10.7
95.05054	6.2
96.97008	1.4
97.02951	95.9
97.06593	16.7
99.00873	2.4
102.39614	1.6
108.66359	1.1
111.00911	3.1
113.02462	35.7
115.00400	9.9
115.04023	2.8
115.07677	17.8
116.07190	3.1
123.00910	2.8
125.02451	19.3
129.01942	7.5
141.01973	25.5
141.05597	51.3
143.07132	1.6
157.03368	7.8
159.03001	2.8
159.06644	4.6
160.89325	2.4
161.08257	2.3
185.03011	2.9
185.04572	45.8
203.02022	100.0
203.05583	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	200.0122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20896	0.3
54.24382	0.3
57.65146	0.3
59.01150	0.3
59.01393	3.3
61.67275	0.3
70.85291	0.3
70.85719	0.4
81.81156	0.4
92.05061	3.9
110.06123	20.9
112.77914	0.4
120.04551	9.9
136.04048	0.4
149.60416	0.4
156.10365	0.7
164.03549	100.0
165.03848	2.4
184.09933	0.4
200.00354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97839	0.4
57.06469	0.4
59.01388	100.0
59.85648	0.4
60.24037	0.4
60.65281	0.4
61.20385	0.5
65.16648	0.5
66.22982	0.4
87.83619	0.4
157.03584	6.1
159.01466	3.9
176.89697	0.5
201.02583	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	201.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74245	0.8
57.03467	4.9
59.01388	93.4
64.30640	0.8
69.03458	1.3
71.64529	0.8
93.23737	0.8
97.06576	12.9
99.92584	8.4
109.68095	1.1
123.08154	8.4
124.96198	0.9
125.09727	100.0
141.93637	6.9
157.03613	1.0
159.01511	4.0
159.89436	1.0
164.83626	0.9
169.08742	1.4
201.02609	11.3
201.11383	11.4
201.15021	1.4
202.02838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.9578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	88.7
60.01720	1.7
75.65860	0.7
86.33457	0.7
99.92587	100.0
100.92587	2.9
103.92052	5.7
112.28561	0.6
114.43591	0.6
115.92069	3.4
116.92880	4.1
121.92282	1.1
125.87281	0.7
130.94391	3.0
141.86832	99.2
141.93649	81.8
142.93709	1.2
148.95375	2.4
159.87895	54.6
159.89366	4.2
160.89223	1.0
164.83632	5.9
166.83359	1.6
174.93408	1.3
174.99239	1.5
201.80220	1.5
201.88922	1.7
201.95766	6.5
202.02704	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	198.041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35401	0.5
52.84887	0.5
55.24674	0.6
58.02983	100.0
58.11723	0.5
61.87448	0.5
63.62371	0.5
66.03495	10.4
68.05061	74.3
69.05412	0.7
82.02996	0.6
83.05037	6.0
110.06129	30.5
142.70599	0.6
154.05128	16.6
181.84280	0.6
196.71832	0.7
198.04076	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	198.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19332	1.0
58.00603	92.5
59.01383	1.5
72.02168	2.3
72.71913	1.2
72.99319	6.5
73.02969	7.2
80.02666	1.1
81.07107	1.4
84.02150	1.4
97.06607	1.4
97.98849	1.3
99.08183	5.9
100.00412	16.7
101.99581	9.4
109.06603	13.5
109.44523	1.0
119.81660	1.1
125.06110	1.3
127.07659	61.2
128.71527	1.1
130.36642	1.1
147.85954	1.1
171.06651	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	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
68.17429	0.3
73.02953	2.8
97.46638	0.3
112.85119	0.4
135.08208	0.7
137.09743	8.0
138.58788	0.3
155.10805	100.0
156.11140	2.7
181.08664	0.4
199.09804	7.4
207.65474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0609
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
56.59330	2.1
61.98844	6.4
109.03013	3.2
116.92892	5.4
126.90528	4.8
160.84230	42.3
162.83929	100.0
178.99821	3.5
182.02205	2.6
182.07350	3.5
196.86275	3.2
197.06136	43.1
197.09796	4.2
197.80838	45.9
218.05241	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	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
54.28110	0.3
54.52837	0.2
58.27976	0.3
61.98846	0.5
63.72829	0.3
71.05027	1.4
77.16789	0.3
92.10799	0.5
97.06590	13.0
99.08147	3.6
111.08138	0.3
122.03720	2.9
125.09725	0.6
129.52177	0.4
136.76218	0.4
137.02507	0.4
137.09746	1.6
151.11304	0.8
153.12872	100.0
154.13226	3.4
160.84225	2.1
161.84174	0.4
162.83943	7.2
171.49297	0.4
178.99867	0.4
179.10800	22.3
182.07309	0.5
197.11865	8.0
197.80852	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	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.56009	0.6
58.96891	0.7
59.01386	0.7
59.76358	0.7
69.03470	1.4
99.32756	0.8
104.61791	0.7
131.92104	0.7
153.12906	1.8
160.84158	0.8
162.83946	3.6
168.09241	0.7
169.12378	15.0
179.10922	0.9
181.05443	0.7
195.74623	0.7
197.11871	100.0
197.80815	1.7
198.12224	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	197.1548
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
54.48232	1.3
54.83113	1.5
56.07413	1.1
56.96824	1.1
57.11217	1.3
58.92457	1.5
61.98832	2.7
62.10594	1.4
64.20748	1.5
72.36671	1.4
79.12046	1.5
83.05036	9.0
95.05039	3.4
97.06585	20.5
111.08163	15.5
116.92931	1.9
153.12843	1.6
160.84277	4.0
162.83914	21.9
163.11301	3.8
165.12860	100.0
166.13058	1.9
178.99823	2.6
197.09705	3.0
197.80826	7.5
209.11855	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	196.0253
Annotation	3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
Peak:m/z	Relative Intensity
59.01395	0.3
67.17290	0.2
71.01398	0.2
75.00875	0.3
78.95916	1.1
80.96495	0.4
83.01397	0.4
99.96708	0.2
108.04564	100.0
109.04234	0.3
109.04896	2.2
116.92867	1.6
119.15404	0.3
121.02946	0.4
146.17586	0.3
152.03546	31.4
153.01974	0.4
153.03839	0.6
153.10400	0.3
196.02556	7.9
196.89560	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	197.0206
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
53.91357	1.6
54.82433	2.0
65.99863	2.3
78.03536	2.9
91.01847	2.4
92.65298	2.1
104.01448	2.5
109.03001	2.4
116.92878	3.0
126.90483	2.4
133.01698	2.4
150.01996	8.0
160.84236	16.9
162.83934	45.6
178.99872	4.9
180.01793	4.4
182.07510	2.3
197.02090	100.0
197.09814	2.4
197.11792	3.1
197.80785	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	197.0206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36848	0.4
53.71731	0.3
56.78079	0.4
61.27280	0.4
64.01942	0.7
65.03969	1.1
67.01913	0.5
67.67853	0.4
89.29365	0.5
93.03458	1.0
109.02966	15.3
116.92870	0.6
121.02940	1.0
122.02483	0.6
126.90534	1.1
128.66396	0.5
129.75256	0.5
137.02460	23.8
137.54591	0.5
138.01956	1.1
139.42424	0.4
140.03546	6.1
150.01967	5.4
160.84248	3.0
162.83914	6.4
166.01485	2.3
167.02231	11.2
178.99863	0.7
180.01784	18.1
182.07413	0.5
184.55893	0.5
193.27582	0.5
197.02072	100.0
197.09846	0.8
197.11780	0.6
197.15627	0.5
197.80840	3.0
198.02438	2.1
212.00795	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	191.0562
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
54.82880	1.1
59.01391	6.4
60.69801	0.8
71.01384	1.3
74.41843	0.9
77.97414	0.9
83.05061	0.9
85.02957	30.3
87.00874	12.6
92.10838	4.3
93.03460	5.7
109.02968	2.0
111.00897	13.3
111.04513	1.2
127.04036	4.9
137.46184	0.9
156.62877	0.9
165.26218	0.9
173.04616	1.4
191.05644	100.0
192.05902	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71397	0.6
59.01389	100.0
81.26545	0.6
85.30920	0.6
92.66387	0.7
135.92889	0.6
149.06091	5.8
193.04985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0508
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
55.35397	0.3
61.05472	0.3
61.54976	0.3
64.34850	0.3
67.82086	0.3
90.83367	0.3
97.76178	0.4
101.07633	0.3
106.04279	0.7
118.83076	0.3
121.02943	2.6
133.02969	26.4
134.03760	25.4
136.01714	0.5
137.02461	13.8
139.04019	4.3
150.03244	1.8
161.02464	37.9
162.02934	0.4
163.04057	0.4
178.02777	4.9
180.64185	0.4
193.05089	100.0
194.05438	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	193.0508
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
50.98291	0.9
80.39804	1.1
89.03993	2.9
104.81799	1.2
106.04261	1.6
117.03488	6.7
121.02977	6.5
133.02986	4.7
134.03749	100.0
137.02448	9.7
139.04034	1.8
149.00650	4.9
149.02435	1.4
149.06104	9.3
164.32716	1.3
178.02733	25.5
180.50851	1.3
181.25949	1.3
193.05095	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	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86681	0.5
67.67596	0.6
93.03471	0.8
106.04234	1.4
121.02966	3.6
133.02969	7.7
134.03752	100.0
135.04109	1.3
137.02466	15.6
139.04015	4.9
149.02455	1.0
149.06102	16.8
150.03275	1.1
154.67647	0.6
160.58717	0.7
171.59151	0.6
178.02745	48.7
179.03160	1.0
193.05086	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.03451	2.5
58.09792	0.9
59.01394	5.6
67.01910	1.1
71.01396	2.1
78.22157	1.0
79.37088	0.9
81.03470	1.1
85.02957	34.0
87.00883	18.4
93.03462	7.0
99.04533	1.0
109.02940	1.7
111.00888	21.1
111.04510	1.3
113.50487	1.0
127.04021	4.2
135.00816	1.7
163.00339	4.6
163.72961	1.1
164.56895	1.1
173.04585	1.5
190.99931	1.6
191.05641	100.0
192.05997	1.2
214.68965	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77875	0.7
57.03452	1.4
59.01382	6.7
67.01902	1.0
70.65714	0.7
71.01425	1.1
73.02968	1.3
77.33417	0.7
78.53860	0.7
85.02460	1.8
85.02963	36.7
87.00880	17.7
92.10827	1.6
93.03453	9.2
96.44158	0.7
111.00894	20.9
111.04524	1.7
115.35210	0.9
127.04018	4.5
129.01949	1.1
135.00958	1.2
149.87158	0.8
158.73546	0.8
163.00404	1.2
173.04613	1.5
176.65399	0.8
191.02000	2.0
191.05640	100.0
199.11107	0.8
211.41418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
50.19791	0.7
51.49973	0.6
53.49177	0.6
53.51663	0.6
57.03452	7.0
57.85762	0.6
58.00564	0.6
59.01381	6.9
63.62742	0.8
67.01903	4.6
69.32675	0.7
71.01387	3.8
72.99329	1.8
73.02943	1.5
75.48582	0.8
78.95209	0.7
81.03468	1.1
85.02951	48.8
87.00876	49.7
93.03466	9.2
99.00877	0.9
99.04556	1.0
107.79960	0.7
109.02970	1.8
111.00887	77.0
111.04528	4.5
112.01251	1.3
117.01942	1.2
127.04028	4.7
129.01941	6.1
132.33191	0.7
143.17439	0.7
171.02965	1.0
173.00923	1.8
173.04599	1.7
191.02025	10.2
191.05634	100.0
192.05920	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	191.056
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
50.66344	0.5
53.34637	0.5
57.03463	0.6
59.01394	4.8
59.56731	0.5
67.01907	0.7
71.01396	0.7
73.02976	0.8
85.02956	26.9
87.00877	8.2
93.03466	7.3
99.04504	1.1
109.02957	1.4
110.89035	0.6
111.00902	8.9
111.04538	1.0
114.39127	0.7
125.50101	0.6
127.04068	5.5
134.61293	0.7
156.94315	0.6
171.03055	0.9
173.00941	0.8
173.04588	1.5
191.05658	100.0
192.06078	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36888	0.5
57.03453	6.7
59.01384	4.4
62.75311	0.5
63.91058	0.5
67.01883	4.7
71.01382	2.6
72.99316	2.8
73.02954	1.4
81.03455	0.8
83.05035	1.0
85.02950	53.1
87.00874	56.3
93.03467	5.8
99.00877	0.8
109.02988	1.0
111.00885	100.0
111.04525	1.1
112.01242	1.2
127.04029	3.9
129.01950	6.6
130.99879	0.8
154.99875	0.8
173.00900	2.6
173.04539	1.6
191.02023	10.0
191.05634	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	7.4
58.69678	0.5
59.01414	1.0
67.01910	3.6
78.48324	0.6
85.02957	29.7
85.03451	1.3
87.00879	49.9
88.93780	0.7
111.00890	100.0
129.01968	5.0
147.64821	0.6
173.00905	1.1
191.02020	12.8
191.05644	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0353
Annotation	Anemonin
Peak:m/z	Relative Intensity
51.19037	0.3
57.82961	0.3
59.01393	2.6
61.92776	0.3
85.02964	3.4
87.00872	2.8
90.35222	0.3
93.03429	0.5
111.00893	7.6
112.01244	0.4
117.11368	0.3
118.99408	0.4
119.05030	2.1
121.02962	100.0
122.03288	2.2
134.66278	0.3
147.04532	7.4
166.02850	0.3
184.44406	0.3
191.01991	0.5
191.03543	7.1
191.05626	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	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76940	0.5
56.59704	0.5
57.03457	8.3
59.01388	5.7
59.77766	0.5
67.01889	5.4
71.01375	2.9
72.99304	1.5
73.02943	2.6
81.03471	0.7
81.25122	0.6
82.48347	0.5
83.05031	1.2
84.62454	0.6
85.02953	54.8
87.00875	56.4
91.52309	0.6
93.03465	7.7
94.93240	0.6
99.00876	1.1
99.04535	0.7
101.02441	1.2
109.02927	0.8
111.00887	100.0
111.04506	1.4
112.01201	0.9
117.01978	1.2
127.04028	3.4
129.01953	5.1
130.93390	0.6
130.99905	0.6
148.18739	0.6
152.11449	0.6
154.99817	1.2
163.90747	0.6
171.02977	1.2
173.00891	1.4
173.04579	1.0
191.02023	10.4
191.05634	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72504	0.7
53.39038	0.7
54.82718	0.9
56.14664	0.8
59.01389	82.9
78.32299	0.8
99.64284	0.8
115.02523	5.9
117.00446	11.0
145.00037	1.5
159.01511	100.0
160.01649	6.5
187.01039	10.9
205.62042	0.9
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	(Z)-But-1-ene-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
50.16812	1.0
54.19922	0.9
59.01387	2.4
67.01899	2.3
71.05024	1.3
72.99334	4.9
81.03474	7.7
86.76673	1.1
87.00879	9.6
92.79404	1.1
97.02947	1.8
98.02462	2.3
99.00839	1.7
99.04515	54.2
100.98818	7.0
102.05573	1.4
111.00896	7.3
115.04030	12.1
116.03594	4.3
125.02448	100.0
127.99888	2.4
143.03537	14.2
144.03081	2.6
149.18658	1.3
187.02457	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	188.0355
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
54.66971	0.2
55.98938	0.1
59.01399	0.7
65.28263	0.2
92.10778	0.2
102.03511	0.8
141.86815	1.0
144.04567	100.0
145.04904	3.7
147.18169	0.2
159.03230	0.2
159.87967	0.2
188.03531	2.6
190.05119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40325	0.3
59.01390	100.0
69.39209	0.3
69.39588	0.3
72.44056	0.3
83.13467	0.3
89.67674	0.3
91.11267	0.3
92.10778	0.8
94.45097	0.3
99.52294	0.3
102.16373	0.3
136.04599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39606	0.8
52.39909	1.0
56.28165	1.1
59.01387	100.0
60.13423	0.9
60.14946	1.0
66.48696	1.0
89.01131	1.0
92.10157	1.3
129.43495	1.4
137.85600	0.9
141.28041	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1183
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
55.56869	3.1
58.55651	3.5
64.45929	3.2
103.42335	3.8
112.52722	4.3
139.11292	24.1
141.09308	4.5
141.55876	4.0
145.79317	3.5
182.19092	4.1
185.11856	100.0
201.20276	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	185.1185
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
53.39558	0.6
57.03467	0.7
60.79312	0.6
69.03468	3.3
70.67683	0.7
71.05030	1.0
112.98817	1.1
113.09744	8.0
115.07677	4.8
125.09735	2.9
141.09213	4.1
141.12914	1.0
157.08632	0.8
167.10809	1.2
185.11850	100.0
186.12138	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	186.0773
Annotation	6-Acetamido-2-oxohexanoate
Peak:m/z	Relative Intensity
55.01876	0.9
55.23931	0.5
55.50129	0.6
57.03464	5.4
58.02993	0.6
59.01380	5.0
59.79341	0.5
64.90281	0.5
66.36124	0.4
69.03455	0.6
71.05035	3.0
72.04551	55.5
73.16412	0.5
81.03477	0.6
82.03021	0.7
83.01398	3.0
85.61990	0.5
97.06599	1.3
98.06127	7.0
99.00916	1.1
99.04524	4.4
100.04057	10.6
111.00874	0.9
112.07684	4.6
114.05595	0.7
114.09259	100.0
115.04011	3.2
115.09595	1.3
124.04091	2.1
125.02451	10.2
125.06087	3.5
140.07196	22.8
142.05133	1.2
142.08752	44.0
143.03539	1.3
143.07146	3.4
143.09044	0.8
159.02954	2.1
169.05113	0.6
186.07739	30.6
187.02501	3.0
187.06187	2.2
206.02448	0.6
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
51.52533	0.8
53.08969	0.7
59.76606	0.7
114.79908	0.9
183.13916	100.0
184.14268	5.4
184.15726	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0616
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
52.08796	1.0
59.01389	51.6
69.03482	2.8
70.03002	1.9
71.01398	10.5
76.57945	1.6
78.95929	5.9
84.04570	12.5
89.30024	1.3
92.10217	2.0
94.02996	5.8
96.96967	6.0
97.01707	6.5
102.83137	1.3
112.04059	100.0
113.02463	1.3
113.04383	1.7
122.06137	7.5
124.04045	65.7
125.63650	1.4
140.07187	30.3
140.45651	1.4
166.05148	2.5
184.06161	69.7
185.06303	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44872	0.7
56.52250	1.0
57.03460	1.1
59.01393	1.0
69.03459	5.3
69.20726	1.1
75.91833	0.9
78.95912	13.5
83.05013	1.2
84.02168	4.2
95.05039	4.4
96.96961	12.9
97.02939	5.3
97.06596	1.9
97.88422	1.0
104.10745	1.0
111.04540	1.6
112.04060	1.4
112.07632	1.7
113.06078	2.0
122.06149	7.2
123.03288	1.9
123.04531	1.5
131.09474	0.9
138.05621	100.0
139.05974	4.4
171.05418	2.5
184.06233	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	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76820	0.3
59.01389	1.9
61.68036	0.4
71.01401	0.5
71.04746	0.4
77.58885	0.3
80.27130	0.4
84.97093	0.4
89.02461	0.6
92.10846	0.8
119.93714	0.5
134.96097	13.2
135.96199	0.5
136.94023	100.0
137.94104	5.4
151.92738	17.4
151.93994	0.5
152.92830	0.5
154.95045	0.4
172.89706	0.5
178.95081	41.7
179.95174	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	181.0719
Annotation	D-Sorbitol
Peak:m/z	Relative Intensity
55.01883	2.7
55.72938	1.4
55.93944	1.4
57.03465	1.5
58.00601	1.9
59.01389	85.3
67.66122	1.3
71.01385	93.2
71.01777	3.1
72.99319	2.1
73.02946	30.5
78.61465	1.6
79.21062	1.5
83.01411	8.2
85.02961	14.8
87.00900	2.8
89.02448	60.8
91.04048	2.1
97.02962	3.3
100.37312	1.7
101.02448	63.1
113.02467	11.6
115.03987	5.8
119.03510	9.3
131.03542	1.9
149.59839	1.6
163.06175	7.2
181.07199	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	177.0195
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
56.89326	0.3
59.01400	6.0
61.22042	0.4
74.62174	0.3
77.03986	1.9
81.03474	2.1
89.03980	12.4
93.03493	1.8
95.05022	2.7
105.03470	23.0
106.03815	0.4
121.02980	0.6
133.02963	36.6
133.85687	0.5
134.03329	0.9
139.04086	0.4
149.02460	4.5
162.03209	2.1
173.68217	0.4
177.01950	100.0
178.02303	3.3
186.74626	0.4
192.06451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0405
Annotation	3-Dehydro-2-deoxy-D-gluconate
Peak:m/z	Relative Intensity
50.15307	0.4
55.01888	0.7
57.03446	3.7
57.25026	0.6
59.01387	100.0
64.56399	0.5
71.01383	8.8
75.00900	1.1
83.26468	0.5
83.33144	0.5
84.91013	0.5
85.02955	1.3
86.30414	0.5
87.00900	2.2
87.04514	1.1
89.02506	0.6
90.57986	0.5
91.52737	0.5
99.00872	4.9
109.09665	0.6
113.28851	0.6
115.00394	0.7
129.01956	4.3
133.05083	1.0
157.31148	0.6
166.92828	0.5
167.14334	0.5
177.07748	1.3
195.00323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0559
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
53.02683	0.3
57.01118	0.3
59.01386	6.6
63.06870	0.3
71.01373	0.5
80.44781	0.3
92.10124	1.0
93.03467	0.4
100.59815	0.3
105.03473	2.1
105.95596	0.4
107.39342	0.3
117.03473	54.2
118.04285	9.2
121.02959	24.8
121.03863	0.5
123.04533	8.5
133.02968	7.8
134.03754	2.4
145.02971	66.2
146.03331	1.8
149.02412	0.5
162.03230	9.6
163.03542	0.5
172.41475	0.3
177.02158	5.8
177.05588	100.0
178.05948	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	173.0456
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
57.03486	1.9
59.01394	3.7
67.01904	19.8
69.03473	2.8
71.01402	4.8
74.06245	1.7
76.27269	2.0
81.03510	2.3
83.05045	2.6
85.02983	2.5
93.03463	89.9
107.98579	1.8
109.02993	2.1
111.04554	13.6
117.85775	2.1
137.02425	2.6
155.03540	3.1
164.24400	2.2
173.04578	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	173.0454
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
50.59991	0.8
53.32233	0.7
57.03463	2.3
59.01395	4.8
67.01902	14.4
67.62215	1.1
69.03467	2.4
71.01402	6.7
72.13416	1.0
75.16026	1.1
80.37653	1.0
81.03468	2.2
83.05039	2.6
85.02956	1.3
93.03460	83.3
98.66249	1.1
107.77218	1.1
109.02972	2.3
111.04554	8.5
135.18991	1.1
152.76645	1.1
155.03529	4.1
173.04578	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	173.0092
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
55.01896	6.0
57.03466	1.9
59.01393	13.6
66.30492	1.4
67.01913	1.9
68.99853	2.1
71.01382	54.3
72.99319	9.6
73.02966	6.9
83.01413	8.2
85.02956	74.6
85.03458	2.9
87.00880	8.8
93.03467	6.2
96.30338	1.5
99.00878	24.8
100.16433	1.4
101.02464	2.6
104.86674	1.4
111.00884	33.5
111.04546	3.7
112.98823	100.0
115.00390	7.9
124.98820	8.1
127.00417	1.5
129.01938	15.0
142.99869	29.7
154.99765	1.8
155.03418	1.6
173.00967	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	173.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	7.0
57.03471	5.2
59.01388	11.5
64.34600	1.0
67.01900	2.4
68.99825	1.8
69.58268	1.0
71.01384	52.4
72.99325	5.6
73.02945	9.5
83.01405	6.7
83.05037	3.0
85.02954	100.0
85.06596	4.9
85.91228	1.0
87.00879	9.4
90.03693	1.1
93.03464	11.0
99.00890	23.2
99.04544	1.2
101.02446	7.7
102.02815	4.9
104.74268	1.1
111.00893	25.7
111.04523	10.9
112.98822	62.5
124.98830	12.3
129.01938	14.7
129.05606	2.1
142.99879	30.8
146.01785	2.9
154.99957	1.3
155.03529	6.4
168.96350	1.1
172.75388	1.2
173.00952	7.8
173.04578	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	172.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40390	0.5
51.71076	0.4
57.03458	10.7
58.88816	0.5
62.52765	0.5
71.01404	2.5
72.99308	0.7
73.02950	8.3
73.09118	0.5
78.72179	0.5
83.01389	0.9
85.02956	21.8
99.00918	4.2
101.02441	100.0
102.02834	1.1
111.00891	3.4
112.98792	2.9
129.01863	4.7
141.58113	0.5
142.99872	1.0
145.01437	54.9
182.49704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	11.9
59.01385	1.4
71.01380	15.5
73.02958	7.4
85.02945	15.6
99.00883	7.1
101.02441	100.0
102.68442	1.3
111.00896	5.6
112.98830	15.5
124.98841	1.7
129.01918	2.1
142.99902	6.7
145.01437	62.2
146.32152	1.4
173.53253	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0144
Annotation	Gallate
Peak:m/z	Relative Intensity
51.46621	0.7
57.03458	9.0
60.58591	0.7
60.66731	0.8
63.02398	4.1
64.25542	0.9
65.00336	15.6
67.30280	0.9
71.01376	7.3
71.89760	0.9
75.21449	0.9
80.96558	0.8
81.03477	6.2
83.01392	36.8
87.00854	1.1
92.10775	1.1
94.64629	0.9
97.02978	2.2
107.01398	23.9
111.20968	0.9
114.40025	1.1
125.02461	32.6
126.02818	1.0
136.61938	1.0
150.97052	4.1
151.00388	100.0
152.00688	1.6
168.98215	1.9
169.01445	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20877	1.4
53.70758	1.4
56.02517	1.3
58.00606	100.0
58.00896	3.4
59.01398	1.9
59.03852	1.4
63.01796	1.3
71.01411	2.2
73.02953	6.3
84.31632	1.8
92.21375	1.4
96.14648	1.5
99.08167	2.6
101.99612	8.6
109.06622	11.7
127.07680	16.8
130.08720	5.7
130.11395	2.1
161.35141	1.7
171.06664	6.5
171.10275	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	171.1029
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
50.56422	0.8
54.82972	0.8
55.50700	0.7
56.25936	0.8
61.93985	0.9
67.44083	0.9
95.07328	0.8
113.78242	0.9
120.42659	1.1
121.02222	1.1
125.09741	2.1
126.36665	0.9
127.07663	3.6
127.11327	6.7
162.11700	0.9
171.01964	1.1
171.10294	100.0
172.10663	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1079
Annotation	(1alpha,4alpha,7S*)-5-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
Peak:m/z	Relative Intensity
54.30615	3.1
61.98841	13.9
73.02946	100.0
77.04008	3.6
78.95882	3.7
82.95410	25.1
89.78535	3.1
95.01415	21.4
96.60705	3.7
97.44970	3.3
108.02206	6.3
123.00891	14.0
123.04504	4.4
132.86775	8.3
140.02562	6.6
141.02063	3.7
151.34871	4.5
152.01184	15.9
166.83423	4.3
167.03619	37.0
167.06088	5.4
167.10765	28.8
168.03094	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	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16866	1.6
54.82836	1.9
58.02983	100.0
59.03334	1.5
61.98833	2.1
65.96828	1.4
68.99827	1.9
82.95433	3.6
83.00468	1.6
84.88037	1.8
87.00871	2.1
95.01403	1.8
125.02444	23.9
133.75481	1.5
141.02031	4.2
168.03165	4.4
168.13976	8.2
169.01422	7.9
169.31198	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	168.9815
Annotation	(R)-2-O-Sulfolactate
Peak:m/z	Relative Intensity
50.04697	0.2
52.77273	0.2
61.90173	0.2
62.15212	0.2
71.01383	100.0
72.01731	1.9
78.95913	1.0
79.95751	1.4
80.96518	40.4
87.00885	2.7
94.98083	0.5
96.96019	3.0
96.96958	1.0
106.98114	1.5
122.97580	1.2
150.97086	60.8
151.97310	0.9
168.98141	65.6
169.98398	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.051
Annotation	Orthoform
Peak:m/z	Relative Intensity
58.63675	0.2
63.58910	0.2
64.34068	0.3
78.87886	0.2
92.10776	0.3
93.03481	1.1
95.01383	0.3
110.98253	0.2
121.02963	14.1
121.65713	0.3
122.03281	1.7
132.96854	0.3
136.05318	11.3
137.05687	0.5
151.02769	30.7
152.01125	0.3
152.03120	1.1
166.05113	100.0
167.05470	4.5
172.52708	0.2
183.01746	10.5
184.01994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.051
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34596	0.3
73.25164	0.4
78.57807	0.4
87.37962	0.4
92.10088	0.8
95.01408	2.1
108.02177	0.5
122.03256	3.6
123.00915	0.9
135.04568	1.5
136.05313	30.4
137.05637	0.8
140.02505	0.6
152.01196	0.8
166.05116	100.0
166.83313	0.8
167.03624	1.9
167.05443	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	166.9988
Annotation	2-Oxo-3-(5-oxofuran-2-ylidene)propanoate
Peak:m/z	Relative Intensity
51.02385	2.0
53.86779	0.3
67.01888	0.8
68.99831	3.1
69.03460	0.4
75.70245	0.4
75.83052	0.4
83.63509	0.4
87.08776	0.4
92.10794	1.7
95.01387	100.0
96.01721	0.9
123.00891	59.6
124.01197	0.5
166.99876	13.1
167.03632	1.8
168.00078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.9987
Annotation	2-Oxo-3-(5-oxofuran-2-ylidene)propanoate
Peak:m/z	Relative Intensity
51.02381	1.0
61.24981	0.4
67.01893	0.8
68.99816	3.9
75.00399	0.4
78.95904	3.2
79.01916	0.4
79.95728	0.8
87.24207	0.4
94.98108	0.6
95.01387	100.0
96.01727	2.1
98.28700	0.4
107.85686	0.4
122.34145	0.5
123.00887	60.9
123.04489	0.9
123.05604	0.7
124.01191	0.7
138.89801	0.4
149.00659	0.6
152.01164	5.4
159.36066	0.5
164.27354	0.5
166.99873	12.5
167.03661	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	164.0719
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
52.90594	0.8
59.24817	0.7
72.00912	36.9
91.05573	1.9
92.10734	1.9
94.13600	0.8
103.05504	1.2
113.99728	0.8
147.04536	100.0
148.04877	3.6
152.56197	1.0
154.88086	0.9
164.07198	52.2
165.07457	1.8
180.17233	0.9
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	Terephthalic acid
Peak:m/z	Relative Intensity
50.60126	0.2
59.01394	0.8
59.16435	0.2
71.01389	0.3
72.99297	0.3
73.92891	0.2
75.00872	2.5
77.03970	7.1
77.04403	0.3
84.65240	0.2
87.00882	5.4
93.03477	0.9
99.00876	0.8
105.01945	3.9
121.02959	100.0
122.02510	0.3
122.03298	3.5
129.02007	0.2
135.02995	0.2
137.02467	0.2
152.30725	0.2
164.89488	2.1
165.01952	6.7
165.04027	3.9
172.58226	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0192
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
113.13785	0.6
121.02961	100.0
122.03320	3.8
134.80048	0.7
165.01956	9.7
176.69640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0404
Annotation	L-Lyxonate
Peak:m/z	Relative Intensity
58.31114	1.6
59.01389	11.2
59.24740	1.5
60.18476	1.7
68.23201	1.5
69.16571	1.7
71.01394	9.5
72.99315	7.2
73.02940	2.2
75.00868	52.7
84.65092	1.5
85.02944	1.9
87.00878	100.0
89.02430	2.7
92.10845	2.2
99.00875	15.3
101.02462	3.4
102.85681	1.7
105.01938	77.3
115.42101	1.7
119.03526	1.9
129.01967	2.9
139.77289	1.8
147.03011	10.6
165.04047	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0558
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
58.54596	0.6
58.71603	0.6
63.68955	0.7
72.99311	29.3
76.37843	0.7
77.03976	2.9
79.90601	0.7
91.01897	0.7
91.05544	1.5
92.69762	0.6
93.03423	0.7
94.84933	0.7
96.74088	0.8
101.03973	2.6
117.03477	1.1
119.05033	43.0
121.02958	40.1
121.05713	1.0
122.03275	0.8
130.55412	0.7
147.04546	100.0
148.04869	3.0
165.01967	3.1
165.05592	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94815	1.0
58.82906	1.1
59.01379	1.1
64.35445	1.2
72.58235	1.1
75.08075	1.5
76.72149	1.2
85.02961	1.4
91.05534	100.0
91.65925	1.2
92.05875	2.0
92.10861	2.4
117.62948	1.5
119.05033	23.2
135.04547	9.6
138.31335	1.4
147.68997	1.5
162.42409	1.1
163.04018	6.3
163.06068	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0766
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
55.40827	0.5
57.33642	0.5
59.01389	1.1
85.02937	0.6
103.36684	0.6
118.99227	0.9
119.04238	0.8
119.05032	16.3
120.05357	1.0
147.22760	0.5
148.05327	100.0
149.05713	3.8
160.24184	0.5
162.89348	2.2
163.00412	0.9
163.03989	1.3
163.06229	1.6
163.07654	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	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76989	4.5
55.37700	4.3
55.98073	4.1
57.44218	4.0
59.01411	4.7
68.43031	4.7
68.96747	4.8
77.39529	5.4
82.70855	4.6
116.92094	11.0
118.99272	100.0
119.05050	53.4
163.11279	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0354
Annotation	N-formylanthranilic acid
Peak:m/z	Relative Intensity
62.12892	0.8
62.21071	0.9
65.61668	0.9
68.59546	1.0
74.35297	0.9
75.84679	0.9
76.78895	0.8
89.42249	1.0
92.05056	16.4
92.65746	1.1
110.06122	72.2
111.06447	0.9
120.04551	28.5
136.04060	2.1
164.03552	100.0
165.03900	5.2
174.33951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47590	0.6
57.03239	0.8
57.03461	7.5
58.40191	0.6
58.85800	0.8
59.01398	10.0
59.55100	0.8
64.91916	0.7
66.25076	0.7
71.01382	8.6
71.05026	44.1
73.02952	10.5
75.55807	0.9
79.59781	0.8
83.01373	0.9
84.79089	0.9
85.02966	7.0
85.94427	0.9
87.00879	100.0
99.04518	63.0
101.02444	60.9
102.02800	1.1
115.04004	8.0
117.05591	8.3
123.59061	0.9
143.03477	14.4
161.04572	61.4
162.04900	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
51.97660	0.1
53.68649	0.2
56.05824	0.1
68.78770	0.1
84.87543	0.1
93.03452	1.2
95.07359	0.2
119.05028	100.0
120.05385	2.9
121.71639	0.2
137.96777	0.2
163.02713	0.3
163.04022	6.6
164.04257	0.2
167.43805	0.2
184.33493	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
51.76938	1.2
56.55176	1.1
58.59632	1.4
59.01390	3.6
71.01389	1.6
80.08724	1.5
83.84882	1.8
85.02995	1.9
86.38158	1.4
91.05534	75.8
93.03447	3.6
119.05032	100.0
120.05382	1.8
135.04532	8.4
135.19966	1.5
138.25259	1.6
153.34599	1.5
158.63838	1.5
162.89301	3.1
163.04044	15.3
163.06149	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05077	1.1
57.03467	2.5
59.01386	15.0
71.01402	7.8
71.05020	50.6
72.99321	2.0
73.02939	15.2
78.63131	1.5
80.70764	1.2
81.03473	1.5
83.01424	2.1
85.02950	10.3
87.00875	100.0
88.01236	1.5
89.02443	1.6
99.04517	63.1
101.02446	79.8
102.19106	1.3
112.22568	1.3
115.03996	11.4
117.05604	8.3
125.47083	1.2
127.50612	1.4
131.03505	5.5
133.02977	1.5
134.79590	1.5
143.03519	19.8
158.07954	1.5
161.04582	71.5
162.04971	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.8
59.01392	4.5
66.95898	0.7
71.01402	1.8
71.05022	34.1
73.02953	1.9
87.00885	14.1
92.10201	1.6
99.04525	47.5
100.04874	0.9
101.02448	100.0
102.02815	1.2
115.04033	3.7
117.05585	8.6
126.37877	0.8
127.59091	0.8
143.03540	11.3
161.03217	1.6
161.04575	41.6
162.04956	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.03
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	23.7
54.82700	2.1
55.01887	20.1
57.03456	21.4
58.64574	1.5
59.01386	18.1
62.84615	1.6
65.00320	2.6
67.37130	1.5
68.99829	10.7
69.03474	3.1
70.55946	1.5
71.01384	50.7
71.05044	1.8
73.02951	8.0
74.02482	2.0
76.48734	1.7
76.57565	1.6
77.31480	1.6
77.52989	1.6
80.99823	13.7
83.01389	23.9
83.24949	1.7
85.02966	16.9
85.03395	1.7
87.00845	2.5
96.99313	10.3
97.02987	4.1
98.00095	100.0
99.00884	24.5
99.92592	7.6
101.02451	3.1
111.00864	3.7
113.02465	14.7
115.04028	11.0
116.07171	3.9
116.92850	24.0
117.07538	12.5
125.99586	40.2
129.01953	8.1
131.03522	8.0
143.21880	1.6
148.43671	2.0
159.03001	11.5
159.06641	2.4
159.89331	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	158.0823
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
53.85814	0.4
57.03455	0.6
58.02977	0.9
69.24329	0.4
71.01404	0.6
73.22752	0.4
87.00893	2.2
107.26431	0.4
114.09254	7.2
116.07177	100.0
117.07521	2.1
135.28621	0.5
158.08234	14.3
158.37540	0.5
158.89345	3.6
159.02992	0.7
177.97096	0.5
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	5-Acetamidopentanoate
Peak:m/z	Relative Intensity
55.01885	1.0
59.01386	6.5
71.01389	3.4
73.02930	1.1
86.95422	1.4
92.10770	1.6
99.00884	1.3
99.92578	20.3
114.09274	6.3
114.94944	14.9
115.09498	0.9
116.07183	100.0
116.92863	66.4
117.07466	1.8
158.08237	17.9
158.89362	4.5
158.93925	7.2
159.03120	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.03
Annotation	D-2,3-Diketo 4-deoxy-epi-inositol
Peak:m/z	Relative Intensity
53.00319	23.7
54.82700	2.1
55.01887	20.1
57.03456	21.4
58.64574	1.5
59.01386	18.1
62.84615	1.6
65.00320	2.6
67.37130	1.5
68.99829	10.7
69.03474	3.1
70.55946	1.5
71.01384	50.7
71.05044	1.8
73.02951	8.0
74.02482	2.0
76.48734	1.7
76.57565	1.6
77.31480	1.6
77.52989	1.6
80.99823	13.7
83.01389	23.9
83.24949	1.7
85.02966	16.9
85.03395	1.7
87.00845	2.5
96.99313	10.3
97.02987	4.1
98.00095	100.0
99.00884	24.5
99.92592	7.6
101.02451	3.1
111.00864	3.7
113.02465	14.7
115.04028	11.0
116.07171	3.9
116.92850	24.0
117.07538	12.5
125.99586	40.2
129.01953	8.1
131.03522	8.0
143.21880	1.6
148.43671	2.0
159.03001	11.5
159.06641	2.4
159.89331	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	153.1286
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
58.78380	2.2
59.01394	18.7
60.21145	2.4
69.03487	2.9
78.87691	2.9
81.03480	3.2
82.97532	2.4
91.01883	2.6
91.48487	2.3
91.70576	2.7
97.06619	4.4
108.02202	5.8
109.02966	100.0
110.03310	4.9
126.01040	3.1
137.03119	2.6
137.29610	2.7
153.01949	33.0
153.12936	26.2
153.86882	47.1
160.08055	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	154.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.4
58.02985	100.0
59.01388	6.6
63.36191	0.5
64.34949	0.7
66.03493	9.1
67.01904	9.6
68.05059	44.2
69.68359	0.6
71.01392	0.6
78.95940	2.3
83.01420	3.0
83.05054	3.4
96.96009	4.8
110.02579	0.8
110.03310	2.4
110.06134	3.3
111.00888	5.6
111.04565	0.7
117.10463	0.6
124.46647	0.6
137.25325	0.6
152.30884	0.6
153.86902	0.8
154.05106	2.9
154.99902	1.2
171.06192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39625	0.5
59.01389	25.7
63.42067	0.5
72.64479	0.5
73.90865	0.4
75.00881	0.7
83.02415	0.6
84.99334	2.7
91.79973	0.6
92.10807	1.1
94.72453	0.5
96.96010	2.6
101.06097	1.0
111.09600	0.6
114.05655	0.6
114.93416	1.2
127.00394	0.5
129.05588	100.0
130.05923	3.8
156.06638	0.6
156.89487	6.2
157.12367	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0355
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
50.96849	0.5
59.01385	1.6
73.91647	0.7
92.10166	1.6
103.46134	0.7
108.02191	1.3
109.02972	9.8
121.72186	0.8
122.03746	42.3
123.04113	1.0
125.69246	0.7
152.03560	100.0
153.01970	1.3
153.03900	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	153.0194
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
57.62912	0.4
65.03975	19.5
67.01895	8.8
67.32661	0.5
91.01893	6.8
92.10792	1.1
109.02966	100.0
110.03299	2.4
135.00897	25.8
136.01256	0.5
143.27544	0.5
153.01959	68.1
154.02292	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	153.0559
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
53.19445	0.7
59.01402	2.0
68.99860	0.9
81.03458	1.7
82.03031	1.1
83.01402	0.9
93.03492	1.0
95.01398	1.0
95.05024	3.1
96.96036	1.3
108.02191	6.1
109.02964	43.1
109.03683	1.7
109.28807	0.9
110.03329	0.9
120.81450	0.9
122.03773	1.9
123.04530	100.0
123.68429	0.8
124.04055	22.0
124.04893	4.1
135.04524	1.0
136.04051	7.0
136.26573	0.8
153.01953	16.8
153.05597	16.4
153.86942	1.6
154.05086	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	148.0769
Annotation	Isogentialutine
Peak:m/z	Relative Intensity
53.00843	2.2
59.01393	36.1
67.22166	2.7
68.56797	2.5
71.01410	21.6
79.95743	5.0
87.00885	4.1
89.02451	32.8
94.99315	23.4
102.03527	3.9
104.05081	3.5
104.97748	3.2
121.02936	4.0
130.06650	4.6
132.04584	5.0
141.27434	3.5
148.07726	100.0
148.95279	30.9
148.96715	3.5
149.00717	18.3
149.02441	4.3
149.04585	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	149.0456
Annotation	xylulose
Peak:m/z	Relative Intensity
53.32526	0.7
55.39240	0.8
58.23853	0.9
59.01387	26.6
69.03470	1.7
69.18587	0.9
71.01382	35.7
73.02946	21.7
75.00909	1.3
85.02975	4.1
87.00880	12.5
89.02447	100.0
103.04042	9.2
126.99043	1.0
131.03497	14.0
149.00757	1.4
149.04567	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	xylulose
Peak:m/z	Relative Intensity
59.01385	22.4
69.03471	1.7
71.01380	34.5
72.99306	4.9
73.02939	21.9
75.00884	3.8
85.02974	1.5
87.00865	17.2
87.01308	1.1
87.41497	0.9
89.02444	100.0
91.62351	0.9
101.02417	1.3
103.04019	9.2
120.84965	1.0
121.02991	1.4
131.03493	9.3
149.00932	7.7
149.03352	2.1
149.04555	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27965	0.2
52.57953	0.2
54.80288	0.2
61.26426	0.2
64.15842	0.2
66.71376	0.2
78.03483	1.7
86.13539	0.2
92.10712	0.2
104.17796	0.3
106.02994	0.3
107.03788	4.9
108.02208	0.3
109.02968	1.5
115.32327	0.3
121.02954	0.6
122.02409	0.8
122.03739	27.9
123.04084	0.9
135.03331	0.3
152.03546	100.0
153.03876	3.5
169.66110	0.2
173.57841	0.3
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
52.90455	1.5
54.16063	1.6
57.03465	5.4
58.03794	2.2
59.01389	45.0
67.90088	1.9
70.02985	2.8
71.01395	21.6
72.01741	2.4
72.99316	5.2
73.02954	12.3
80.24039	2.2
85.02974	9.7
86.03291	28.4
87.00866	27.2
88.01205	30.1
89.01286	3.1
89.02438	45.3
102.02792	2.6
102.03452	2.4
104.04387	3.2
104.05051	3.6
106.06618	2.7
114.94161	2.2
130.02304	9.5
132.04558	3.8
148.03354	25.2
148.07719	100.0
149.00789	5.0
149.04561	22.0
149.07965	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	147.0454
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
50.70074	1.3
52.82519	1.4
55.01888	2.9
55.99659	1.4
59.01391	4.3
61.98835	2.8
70.41335	1.7
70.88992	1.6
70.96957	1.7
71.01390	40.3
75.50082	1.7
78.81011	2.0
84.99333	10.0
99.00910	24.2
119.05046	9.8
136.84534	1.7
147.03319	3.9
147.04533	100.0
148.04895	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	147.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60643	5.8
71.01402	28.6
80.69408	6.1
86.17633	6.1
99.00916	12.8
109.23938	6.8
147.04509	100.0
166.28781	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	147.0453
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
52.09514	4.9
62.75169	5.1
71.01412	14.8
78.49498	6.5
121.10413	6.8
129.65395	6.8
147.04532	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	146.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15163	0.3
50.32464	0.3
50.48064	0.3
53.48330	0.3
56.25001	0.3
59.01380	3.0
60.34813	0.4
65.82740	0.3
71.01402	1.4
74.02495	1.7
74.49170	0.3
84.04572	1.7
89.75801	0.3
92.19485	0.4
101.02431	0.4
102.05621	100.0
103.05967	2.3
128.03551	44.5
129.01991	0.4
129.03903	0.5
146.04614	24.0
147.04987	0.4
150.03647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.03
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08201	1.3
55.01891	1.5
57.03458	9.1
57.03694	1.0
59.01385	27.0
59.18724	0.9
60.99316	1.3
64.50496	1.0
70.33042	1.2
71.01384	100.0
71.05029	12.0
71.37116	1.4
72.99308	46.3
73.06595	2.1
85.02966	5.7
87.00880	29.3
87.01376	1.5
99.00917	8.2
99.04508	1.5
100.47185	1.2
101.06074	20.5
101.98866	1.1
129.01958	8.5
142.87036	1.3
146.08945	1.1
147.02992	4.4
147.06656	31.3
160.05727	1.2
160.63383	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84030	1.1
51.05706	1.3
52.82280	1.3
55.01883	1.9
57.03453	21.5
59.01384	33.4
67.33466	1.2
71.01381	100.0
71.01776	3.3
71.05037	3.0
72.01720	1.7
72.99310	48.4
74.65525	1.1
85.02956	45.3
87.00878	100.0
88.36417	1.3
96.99327	2.2
99.00887	2.2
101.02441	1.6
101.06076	12.4
103.04006	7.2
129.01949	23.6
147.03017	28.2
147.06653	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	142.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98656	4.2
58.02990	9.2
59.01388	95.8
64.41183	4.7
71.01390	44.5
73.04906	5.3
73.77344	5.7
98.27048	5.5
100.04054	100.0
105.51070	5.4
109.98841	6.9
112.62795	6.4
112.98862	9.2
115.32151	5.7
124.98802	7.1
138.79842	4.6
142.05138	9.3
142.99901	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	144.0454
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
55.26787	0.6
57.03465	3.7
58.02987	1.1
58.04504	0.7
59.01385	0.9
71.01386	0.7
71.05040	0.6
73.02972	1.3
80.88750	0.6
80.99573	1.0
87.00905	0.8
92.10806	0.9
93.83785	0.7
101.02456	11.8
102.05654	0.8
111.44210	0.6
122.10549	0.6
140.36371	0.7
141.79803	0.8
144.04570	100.0
145.01414	1.2
145.04936	4.7
157.20857	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0143
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
51.36248	0.9
55.01893	1.7
55.83728	0.9
57.03196	1.7
57.03458	27.5
59.01377	2.3
60.72158	1.0
66.86238	0.9
71.01380	9.3
73.02953	16.0
80.60574	1.2
83.01402	5.0
87.00892	2.3
96.19922	1.1
99.00919	1.7
101.02444	100.0
102.05602	5.0
115.00370	4.6
127.00403	2.3
128.03552	1.6
145.01479	11.4
160.88120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0144
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
51.15738	3.3
55.01897	21.7
57.03472	36.1
59.01400	70.4
69.09075	4.9
71.01394	89.2
72.99325	23.5
73.02972	6.5
76.57725	4.6
83.01403	28.2
87.00878	76.9
90.97516	4.3
96.83527	4.4
99.00877	21.9
100.77804	5.4
101.02436	100.0
115.00380	85.5
127.00378	30.1
129.36513	4.6
145.01430	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03976	0.3
69.18260	0.3
76.08522	0.4
79.03055	0.3
81.03461	2.3
93.03464	40.2
94.03809	0.8
108.02168	3.0
109.03008	2.9
119.01401	1.4
136.01669	7.9
136.89226	2.5
137.02458	100.0
138.02795	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	137.0245
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
65.03972	0.6
81.03470	2.1
92.10132	0.4
93.03461	39.5
94.03809	0.4
108.02199	3.4
109.02980	3.3
112.42894	0.3
119.01378	0.6
136.01666	8.0
136.89191	0.5
137.02454	100.0
138.02803	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	137.0245
Annotation	4-hydroxy-benzoate
Peak:m/z	Relative Intensity
62.84631	0.4
64.89865	0.4
65.03982	0.6
66.95958	0.4
67.33302	0.4
75.86460	0.5
81.20918	0.4
82.86125	0.4
92.10747	0.8
93.03468	100.0
94.03819	2.5
107.05049	0.9
115.22225	0.4
136.89189	1.0
137.02458	27.8
137.03517	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0244
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
54.83142	0.3
67.34724	0.3
83.08790	0.4
90.48888	0.3
92.10134	0.8
93.03471	100.0
94.03804	1.9
108.31696	0.3
116.90607	0.3
117.93337	0.3
130.01724	0.4
137.02458	24.9
138.02733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
50.56683	0.4
52.27920	0.4
58.89162	0.4
62.59798	0.4
86.50109	0.4
92.10797	0.9
108.02195	49.2
109.02534	0.6
114.63119	0.5
118.52316	0.5
118.62320	0.4
120.62478	0.5
131.99043	0.5
135.36992	0.5
135.38057	0.6
138.01987	100.0
139.02333	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	135.03
Annotation	Threonate
Peak:m/z	Relative Intensity
54.27200	0.4
55.01886	0.4
55.52119	0.3
58.65028	0.3
59.01112	0.5
59.01383	10.7
69.80452	0.4
71.01382	10.4
72.99310	16.7
73.01805	2.8
73.02968	0.5
75.00870	100.0
82.97650	0.4
87.00872	7.7
89.02443	10.4
91.02852	0.6
92.10110	0.4
93.19512	0.4
93.64423	0.4
95.97815	0.4
115.00395	2.8
117.00803	11.5
117.01859	2.9
117.91271	0.4
135.01874	4.1
135.02994	48.2
147.28392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
56.25346	0.2
56.65647	0.2
59.03465	0.2
62.12809	0.2
63.03746	0.2
65.03963	1.0
65.82968	0.3
69.93903	0.2
71.96596	0.3
92.10758	0.6
93.03468	100.0
94.03793	1.9
137.02455	23.9
148.80373	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0473
Annotation	Adenine
Peak:m/z	Relative Intensity
54.82369	0.3
66.81950	0.3
72.01730	0.3
75.00883	0.4
75.29678	0.2
76.57126	0.3
76.64874	0.3
78.80524	0.3
83.28358	0.3
83.69941	0.3
92.02554	4.6
92.10114	0.4
107.03652	25.4
108.03979	0.4
116.00700	0.7
134.04739	100.0
135.03062	0.7
135.05121	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01374	0.7
71.01382	60.5
72.01693	0.6
72.99309	15.4
83.64250	0.4
87.00874	1.1
89.02444	7.2
114.39066	0.5
115.00374	100.0
116.00743	0.8
116.49617	0.5
133.01436	29.5
137.68413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
69.66700	0.5
71.01384	55.6
72.99311	11.9
82.21207	0.5
87.00890	0.7
89.02457	6.7
91.35302	0.5
115.00378	100.0
133.01431	24.8
147.46170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0659
Annotation	Chavicol
Peak:m/z	Relative Intensity
52.26641	0.5
61.86422	0.5
71.01404	3.9
72.99339	0.7
106.04276	3.9
115.00398	6.2
123.04508	4.2
131.05002	4.5
132.05826	14.2
132.86819	1.1
133.01402	1.1
133.06612	100.0
134.06958	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	129.0557
Annotation	3-Methyl-2-oxopentanoate
Peak:m/z	Relative Intensity
53.14920	1.0
57.03445	1.3
83.05035	8.3
85.02944	1.8
85.06594	100.0
86.06940	1.0
92.10873	1.2
111.03790	2.1
111.04523	27.6
125.41490	1.3
129.05589	54.9
138.29135	1.2
139.86415	1.2
146.20398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.035
Annotation	Methylsuccinic acid
Peak:m/z	Relative Intensity
52.09367	0.3
57.03445	0.5
57.73601	0.3
59.01377	0.9
68.99811	1.4
69.03452	1.4
71.01361	0.5
73.02953	1.8
85.02950	0.5
87.04517	100.0
88.04852	1.7
102.29253	0.4
113.02446	7.4
121.87134	0.4
131.03506	20.6
132.03790	0.4
134.91507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0557
Annotation	3-Methyl-2-oxopentanoate
Peak:m/z	Relative Intensity
57.03462	1.8
58.48798	0.8
83.05029	9.9
85.02969	1.2
85.06597	100.0
86.06940	1.2
111.04534	27.5
114.07116	1.2
115.45511	1.0
129.05588	52.3
137.98180	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0558
Annotation	3-Methyl-2-oxopentanoate
Peak:m/z	Relative Intensity
50.31610	0.9
55.96024	1.0
64.34544	1.1
78.34229	1.0
83.05022	10.7
84.15751	0.9
85.02965	1.0
85.06599	100.0
111.04525	27.8
128.90141	1.1
129.05582	49.7
136.24875	1.1
141.28162	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0195
Annotation	Mesaconate
Peak:m/z	Relative Intensity
53.97549	2.2
55.01897	20.9
57.03457	76.5
57.06948	2.5
59.01394	3.1
62.81558	2.6
67.01896	99.5
67.02227	4.7
68.99825	3.9
71.01383	53.7
73.02976	3.1
84.91370	2.8
85.02959	100.0
88.04053	5.4
90.44901	2.9
96.24548	3.7
96.99260	3.7
99.73728	3.1
101.02449	3.4
111.00885	4.8
113.92655	3.3
114.36510	3.0
129.01936	33.2
129.05579	4.0
130.08757	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	129.0195
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
51.13826	1.1
52.36681	1.1
55.01887	12.2
57.03458	66.3
63.59119	1.5
65.74948	1.4
66.37769	1.2
67.01897	100.0
68.99834	3.2
71.01402	6.7
72.99303	1.9
73.02972	3.2
83.01412	3.6
85.02954	35.8
88.03969	1.9
92.10220	1.8
92.12975	1.3
94.97285	1.5
101.02494	2.0
106.60186	1.5
129.01958	21.8
130.08745	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0287
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
55.93737	5.6
61.56435	7.2
81.43855	7.2
121.02958	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	121.0295
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
54.82907	2.6
54.84322	2.6
61.19797	2.2
64.34754	2.1
74.25098	2.4
77.33307	2.8
93.03456	3.3
108.82150	2.5
121.02954	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	121.0295
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
85.56882	3.1
92.53442	2.7
94.09911	3.1
103.62255	2.6
121.02950	100.0
121.03749	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	121.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98082	2.2
57.11771	2.2
59.67242	2.6
71.19424	2.3
89.03329	2.7
114.37193	2.5
121.02955	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	121.0295
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.70385	1.4
51.77601	1.3
60.43462	1.2
67.03369	1.6
67.41694	1.2
92.00726	1.4
93.03478	1.9
121.02966	100.0
121.73792	1.7
122.03299	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	121.0295
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
57.23707	1.5
57.43210	1.5
60.72916	1.5
69.71609	1.4
78.28983	1.7
121.00537	2.0
121.02959	100.0
122.03304	2.6
138.86565	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	1179.7048
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02462	1.0
97.06602	1.1
97.95615	0.2
101.02464	1.2
103.21968	0.2
113.02473	0.2
119.03460	0.3
121.02972	0.3
125.02419	0.3
152.99649	0.3
153.09268	0.3
189.12828	0.3
191.14412	0.7
231.21544	0.2
235.08208	0.8
237.15044	0.3
245.04298	0.4
275.20227	0.2
277.21756	4.0
305.08804	0.4
340.14243	0.2
373.25137	0.2
374.26096	0.3
381.28067	0.3
387.30719	1.2
389.24402	0.3
389.28641	3.7
391.30640	0.3
397.13562	7.7
398.14096	0.2
403.30185	0.4
405.32071	0.3
406.28876	6.9
407.29523	1.7
409.31717	0.3
415.14633	2.2
421.31387	3.6
423.32993	9.7
424.29630	1.1
425.30145	0.9
439.27756	0.9
439.33337	2.1
440.32739	1.6
441.33762	1.9
457.33206	1.4
458.33588	0.3
459.34045	0.6
467.31863	0.7
469.33334	100.0
470.33667	5.0
471.33743	0.8
485.32639	1.3
501.32254	4.9
502.32660	5.4
503.24927	0.7
503.33804	19.1
504.34097	0.4
513.32428	1.7
589.65918	0.2
675.36273	1.8
1179.70154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	0.6
87.50150	0.3
93.03437	2.6
107.01387	3.5
107.42884	0.3
108.02172	3.4
109.02959	1.3
116.77244	0.4
117.03454	6.8
119.05023	4.5
123.04493	0.3
133.02991	0.3
133.06573	0.4
135.00885	1.4
137.02487	0.4
143.05032	1.3
144.42554	0.3
145.02971	20.4
151.00369	5.9
152.01175	1.7
153.01886	1.3
154.04190	0.4
157.06587	0.4
159.04536	1.3
161.02467	0.3
161.06070	0.7
163.00359	2.6
163.04022	5.1
164.01172	0.6
165.01877	0.6
167.05066	0.4
169.01447	1.6
169.06615	0.6
171.04521	1.7
179.03592	0.4
183.04526	1.5
185.06084	3.1
187.04021	3.9
189.05547	1.2
191.05576	2.9
192.00648	0.3
195.04535	0.7
197.06110	0.7
199.04066	0.6
201.05714	0.5
205.05008	0.7
211.04065	3.1
213.05637	2.7
215.07149	0.3
223.04115	0.4
223.07697	0.4
227.03540	27.2
228.03989	1.2
229.05086	9.5
239.03534	2.3
240.04291	0.6
241.05142	2.0
243.02817	0.4
255.03015	55.5
256.03763	5.7
257.04581	9.0
267.03043	1.1
281.04764	0.5
283.02533	3.7
284.03293	70.1
285.04074	100.0
286.04443	2.6
299.05719	0.4
307.08267	2.1
326.04297	0.6
327.05197	4.4
387.09921	0.4
389.83151	0.4
419.10043	2.0
447.09137	3.1
593.13129	44.6
594.13647	1.6
635.13934	2.1
757.18262	0.7
799.19135	1.4
901.22186	25.8
902.23059	1.8
1187.27197	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	1163.7109
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03461	0.1
83.01406	0.2
85.02956	0.4
87.00893	0.5
89.02442	2.0
97.02966	0.4
99.00874	0.1
101.02435	2.2
111.04549	0.1
113.02443	1.1
119.03503	0.6
125.02422	0.9
143.03522	0.4
161.04536	0.7
173.89433	0.1
179.05592	0.4
185.13794	0.1
189.69447	0.1
199.81099	0.1
210.32071	0.1
221.06769	0.2
235.08257	1.4
244.39140	0.1
253.09270	0.2
277.21744	8.1
287.07809	0.3
287.45456	0.1
305.08786	0.5
379.30179	0.1
397.13562	16.2
407.29413	0.1
409.31241	0.5
415.14694	4.9
421.31079	0.2
441.34091	0.2
485.33347	0.1
487.34375	100.0
488.34808	2.2
675.36163	5.6
1163.70984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01891	0.5
67.54043	0.2
71.20950	0.2
72.25103	0.2
73.02948	100.0
74.03288	0.5
98.30472	0.2
99.00880	8.7
99.92570	0.4
100.96606	0.2
108.26591	0.2
116.92853	1.7
117.01945	22.6
118.02265	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65929	0.2
55.01888	0.9
60.55457	0.2
73.02950	100.0
74.03268	0.5
81.59923	0.2
92.10688	0.4
99.00887	9.4
99.92599	1.5
116.92883	5.5
117.01951	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	1177.7777
Annotation	Unknow
Peak:m/z	Relative Intensity
82.09190	0.6
92.10741	1.3
94.90176	0.5
98.02232	0.6
109.06605	0.8
161.96481	0.7
162.69757	0.6
163.11320	1.2
207.10347	6.5
225.11337	1.2
238.21129	0.6
253.09105	1.1
277.21765	13.2
443.19095	0.8
455.35428	100.0
456.35687	2.6
497.62424	0.7
627.37482	0.8
656.29395	0.7
703.40399	1.1
711.12878	0.7
721.42041	9.8
1036.96167	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14383	8.9
53.97705	9.8
57.50340	10.2
60.23217	10.7
76.58392	11.2
108.89935	11.7
114.05616	100.0
114.93421	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46335	0.2
55.15159	0.2
59.01382	1.9
59.98537	0.2
71.01387	2.5
85.81409	0.2
87.00880	100.0
88.01202	0.5
90.83768	0.2
114.05607	6.8
123.03300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.71
Annotation	Unknow
Peak:m/z	Relative Intensity
79.83397	0.4
88.91325	0.4
93.03484	1.0
95.01381	0.5
100.81397	0.4
108.02214	0.6
117.03472	19.1
117.04279	0.9
119.05026	68.5
120.05331	0.6
121.02956	84.3
122.03310	0.7
145.02968	83.1
146.03297	2.0
151.37421	0.5
162.03290	0.7
163.04041	2.9
224.12393	0.5
224.69720	0.5
277.21738	3.4
323.61346	0.6
381.70157	0.5
453.33823	15.3
471.34921	6.7
497.32831	64.4
498.33157	2.2
513.36145	1.9
573.39545	8.9
617.38593	100.0
618.38831	4.9
634.38312	1.0
635.39697	81.1
636.39935	3.5
891.82684	0.6
952.02411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
51.79062	0.4
61.45511	0.4
61.52971	0.4
68.87587	0.4
71.01382	100.0
72.01729	0.7
72.99313	1.9
96.99325	0.9
115.00375	6.2
121.01621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.7104
Annotation	Unknow
Peak:m/z	Relative Intensity
81.25092	0.1
83.01385	0.1
85.02974	0.1
87.00862	0.1
87.76364	0.0
89.02448	0.8
92.10106	0.1
97.02936	0.1
101.02432	1.0
113.02454	0.4
113.67387	0.1
119.03533	0.2
125.02438	0.3
125.23381	0.1
143.03493	0.1
161.04602	0.1
179.05675	0.3
202.05765	0.1
235.08298	0.5
277.21741	3.1
305.08746	0.1
310.55646	0.1
397.13562	6.7
409.31033	0.1
415.14594	2.0
423.32788	0.1
427.32111	0.3
469.33282	1.6
485.32773	0.3
486.33270	0.4
487.34369	100.0
488.34769	2.2
675.36102	1.7
1163.70923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30758	4.5
52.56208	4.5
58.24612	4.7
68.99579	100.0
83.04308	6.0
113.35918	5.7
122.66139	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	1130.7291
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95915	9.0
117.03462	26.3
119.05027	34.1
121.02953	57.3
135.04561	2.9
145.02960	91.8
146.03276	2.1
163.04024	6.4
179.16313	1.7
181.05093	3.4
186.98289	1.7
207.94659	1.8
224.06934	7.5
255.23335	77.5
314.33020	1.8
453.33536	9.2
471.34894	6.8
480.31085	83.2
481.30988	2.9
497.32846	16.4
514.44171	1.8
617.38574	100.0
618.39209	2.0
633.37903	2.0
634.38104	2.2
635.39630	35.5
754.82776	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	1137.6955
Annotation	Unknow
Peak:m/z	Relative Intensity
125.45721	0.2
157.32053	0.3
189.11107	0.3
191.05653	0.6
250.75554	0.3
276.57544	0.3
387.30734	1.0
389.28476	0.6
409.31113	0.4
423.32962	1.4
439.29041	0.3
469.33319	6.8
485.33142	0.4
487.34396	100.0
488.34927	2.4
499.01535	0.3
602.08911	0.3
626.56195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95914	0.2
81.03476	0.3
83.05067	0.7
87.00904	0.3
87.85519	0.2
93.03457	17.8
94.03790	0.3
109.02981	0.4
111.00950	0.8
111.04528	4.2
113.02453	0.3
117.03500	0.4
121.02955	20.6
122.03291	0.4
133.02936	0.8
135.04567	0.7
137.02454	5.1
145.02974	2.0
155.03520	3.7
161.02449	0.8
173.04570	100.0
174.04889	1.2
179.03535	0.4
191.05678	0.7
208.74751	0.2
227.07353	0.2
272.55002	0.2
285.04010	0.4
295.08282	43.3
296.08575	0.9
303.87561	0.2
335.07675	0.3
338.34653	0.2
389.05396	0.2
397.95248	0.2
399.21576	0.2
457.11520	1.8
533.68964	0.2
593.12537	0.2
655.18866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.5815
Annotation	Unknow
Peak:m/z	Relative Intensity
94.87749	1.1
97.06607	1.9
102.58062	1.1
110.98525	1.1
118.00195	1.1
162.99121	1.2
206.36874	1.0
244.39067	1.2
347.64569	1.2
389.28891	1.3
391.30389	1.6
405.31839	1.8
407.33289	4.2
423.32782	4.1
437.30807	2.1
451.32257	5.6
453.33722	4.1
464.85529	1.3
469.33441	5.8
470.33725	1.9
471.34882	42.5
481.15256	10.3
495.16644	2.4
540.16986	1.8
555.19220	4.5
572.15765	11.3
641.22662	9.3
1104.72144	1.6
1112.57129	1.9
1113.57983	100.0
1114.57410	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	1125.7313
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03484	0.1
83.01421	0.4
85.02961	0.7
87.00870	0.7
89.01899	0.1
89.02443	3.5
92.10818	0.2
95.01397	0.1
95.62591	0.1
97.02444	0.1
97.02915	0.7
99.00932	0.2
101.02441	2.8
113.02458	1.7
119.03496	1.1
121.02985	0.1
123.04600	0.1
125.02440	1.2
131.03542	0.1
133.05118	0.1
139.03940	0.1
141.02010	0.1
143.03535	0.5
145.02988	0.1
149.04646	0.1
161.04565	0.7
169.05128	0.1
179.05663	0.6
205.15939	0.1
217.07289	0.1
221.06760	0.4
235.08231	1.6
253.09361	0.1
255.23329	10.6
279.34616	0.1
287.07816	0.4
305.08875	0.7
323.10010	0.1
377.28488	0.2
391.30038	0.1
393.31699	0.4
397.13577	19.7
405.31366	0.2
407.33249	2.2
415.14630	5.1
421.06580	0.1
423.32925	0.2
425.34280	0.6
439.32211	0.2
469.33997	0.1
471.34872	100.0
472.35159	2.1
653.37671	9.4
679.39893	0.1
1032.96973	0.1
1125.71680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.7348
Annotation	Unknow
Peak:m/z	Relative Intensity
88.21632	0.5
89.36122	0.5
99.18324	0.5
117.03468	6.2
119.05021	10.2
145.02969	19.6
163.04013	7.1
231.85686	0.6
271.75946	0.6
343.12158	0.5
375.62399	0.6
423.32828	0.7
469.33447	4.2
471.34869	3.6
633.38129	100.0
634.38708	4.0
724.27478	0.6
861.93628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.7565
Annotation	Unknow
Peak:m/z	Relative Intensity
104.22472	0.1
110.44128	0.1
227.32767	0.1
265.48349	0.1
288.79593	0.1
433.00012	0.1
437.30798	0.7
455.31796	35.4
456.31982	1.2
467.31534	0.2
485.32834	100.0
486.33224	3.9
770.11401	0.1
1104.45471	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	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
52.93051	1.5
55.01887	44.3
63.50222	1.7
67.01900	58.9
71.01396	3.8
72.06751	1.7
78.95908	79.4
83.01392	100.0
83.01888	3.2
84.14291	1.8
92.10222	3.4
110.97599	3.0
111.00153	4.4
111.00890	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03480	0.3
83.05045	0.4
85.02969	0.8
87.00903	0.3
87.82154	0.2
93.03459	15.6
99.00910	0.3
109.02985	0.8
111.00889	0.4
111.04534	4.2
113.02450	0.4
114.93182	0.2
115.20352	0.2
117.03434	0.4
121.02953	27.2
122.03285	0.8
125.02387	0.3
125.58236	0.2
133.02954	1.8
135.04507	1.5
137.02448	5.0
145.02968	1.2
151.00388	0.4
152.01135	0.3
153.01846	0.3
155.03525	4.6
161.02449	2.4
173.04561	100.0
174.03371	0.2
174.04895	0.4
179.03519	0.4
180.89110	0.2
183.04532	0.3
191.05620	1.5
211.04175	0.3
211.07880	0.3
227.03554	18.4
227.07184	1.0
228.03876	4.3
255.03041	22.9
256.03427	7.1
257.04291	0.8
269.04651	0.2
284.03305	16.2
285.03821	8.1
286.04370	0.9
295.08279	42.5
296.08554	0.5
335.07791	2.1
394.85794	0.2
457.11496	7.5
551.12085	16.5
552.12457	12.7
552.19043	0.3
849.76398	0.2
1083.11890	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.7095
Annotation	Unknow
Peak:m/z	Relative Intensity
86.05452	0.2
86.39982	0.2
92.66560	0.3
163.66583	0.3
253.78334	0.3
311.25882	0.3
407.53314	0.3
471.34705	0.4
489.61053	0.3
587.39636	100.0
588.40125	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	1105.736
Annotation	Unknow
Peak:m/z	Relative Intensity
98.85490	0.3
101.02089	0.4
117.03459	4.6
119.05044	9.2
130.48734	0.4
145.02972	17.4
145.04126	0.7
158.62741	0.4
163.04007	5.8
204.12801	0.4
294.53574	0.5
423.32697	0.7
469.33130	4.2
471.35089	3.5
505.50565	0.4
633.38104	100.0
634.38202	4.0
635.39063	0.6
848.01184	0.5
1030.20984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.7344
Annotation	Unknow
Peak:m/z	Relative Intensity
98.47848	0.4
106.48830	0.3
111.03138	0.4
116.92861	1.3
117.03478	10.5
119.05035	21.0
121.02963	0.8
145.02979	40.1
146.03328	1.9
163.04025	13.5
163.05389	0.6
164.04344	0.5
201.98393	0.4
230.47935	0.4
322.97214	0.4
421.31067	0.5
469.33295	2.7
471.34872	3.4
631.36578	2.2
632.36938	3.8
633.38116	100.0
634.38818	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	1099.5658
Annotation	Unknow
Peak:m/z	Relative Intensity
101.90213	0.1
114.02840	0.1
143.91631	0.1
200.00293	0.1
279.23438	0.1
280.23685	0.1
353.02930	0.1
384.21042	0.1
385.52560	0.1
391.29858	0.1
437.12515	0.6
438.13446	1.0
450.13239	0.3
451.14001	1.4
452.15048	4.5
453.33853	0.5
465.15729	1.1
466.17041	1.2
467.17883	0.1
469.11316	0.2
470.16437	0.3
478.12784	0.2
479.17169	1.2
480.14212	2.0
481.15204	12.4
482.15601	0.6
483.15582	0.2
484.13977	0.7
492.14243	0.3
493.15543	3.1
494.15900	1.3
495.16855	23.2
496.17313	1.1
497.17294	0.6
498.15387	0.7
502.15100	0.2
505.18491	0.1
507.16577	2.0
508.18094	3.6
509.18826	1.3
511.16220	0.3
512.12946	1.9
514.14801	0.3
518.16052	0.1
519.16638	0.2
521.14557	1.5
522.15625	0.5
523.16193	1.2
523.19849	1.1
524.16559	0.3
525.13788	0.5
526.15021	1.4
530.14923	0.6
533.18353	1.0
535.16266	3.8
536.17072	4.2
539.15466	1.0
540.17047	4.0
541.16626	0.1
542.14197	0.1
544.15930	0.5
549.18323	0.2
551.19501	65.1
552.19775	2.5
553.18488	1.3
554.18732	1.5
555.19226	1.6
567.19354	1.1
568.15918	1.3
572.15631	5.8
583.22711	0.9
586.17255	6.4
587.17523	0.2
595.18622	2.6
600.18970	0.2
627.21149	100.0
628.21387	3.4
629.20996	1.9
1099.56543	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.5853
Annotation	Unknow
Peak:m/z	Relative Intensity
83.06496	0.2
85.02958	0.4
92.67153	0.3
93.03461	0.5
102.76347	0.2
107.07514	0.2
121.02955	8.1
129.99573	0.3
135.08209	0.2
137.02464	0.4
139.90457	0.2
184.43648	0.2
191.05780	0.4
227.60747	0.2
227.90607	0.2
377.28577	1.1
405.28012	1.2
411.28604	0.3
423.29056	0.6
432.10507	0.3
451.28555	1.3
457.29648	1.7
469.29669	100.0
470.29993	2.3
487.30780	15.9
506.96484	0.3
517.31781	82.7
518.31952	1.7
581.26019	1.4
786.14697	0.3
929.97107	0.3
1032.65967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01393	0.2
83.19935	0.1
85.02969	0.1
89.02463	0.1
91.01909	0.4
93.03456	1.6
95.82657	0.1
101.02445	0.1
107.01403	1.4
109.02953	0.6
113.67815	0.1
117.03471	0.4
119.01368	0.2
119.05013	0.1
121.02991	0.4
130.04227	0.2
131.04999	0.2
132.02191	0.1
135.00874	1.2
135.04576	0.1
137.02449	0.4
141.07169	0.2
143.05038	1.0
145.02966	0.4
145.06602	0.3
147.00897	0.1
148.01636	0.1
151.00397	0.7
153.01944	0.8
154.04321	0.3
155.05017	0.3
156.05774	0.1
157.02907	0.1
157.06616	0.9
158.03737	0.1
159.04509	1.7
160.86450	0.1
161.02463	0.1
161.06042	0.1
163.00389	3.0
163.01793	0.1
163.03990	0.1
164.01114	0.1
165.01880	0.7
165.12900	0.2
167.05035	0.6
168.05804	0.1
169.01411	0.1
169.06587	1.2
171.04530	1.0
173.02446	0.3
173.06084	0.2
174.03212	0.1
182.03731	0.3
183.04501	0.6
183.13901	3.0
183.15524	0.1
184.05247	0.2
185.06096	3.5
187.04030	3.8
189.05606	1.5
190.99942	0.1
192.00598	0.1
195.04539	1.0
196.05289	0.5
197.06117	1.6
198.03236	0.1
199.04060	1.3
201.05605	1.0
211.04045	2.4
212.04753	0.5
213.05615	3.1
214.02734	0.5
215.03470	0.3
217.05045	0.1
223.04059	0.5
224.04738	0.1
226.02890	0.2
227.03539	6.1
227.12950	0.2
228.04062	0.3
229.05083	18.8
230.05406	0.7
239.03513	2.2
240.04292	1.4
241.05084	2.7
243.02988	0.6
253.09322	0.1
255.03036	6.9
256.03781	2.0
257.04587	10.5
258.04764	0.4
267.03024	1.5
268.03497	0.1
284.03302	5.8
285.04089	100.0
286.04419	3.3
401.25320	0.1
463.21884	2.0
523.14612	0.1
593.15320	0.3
635.16321	50.9
636.16656	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	1099.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03957	0.4
90.11516	0.3
93.03468	0.5
93.30984	0.3
102.01878	0.3
108.02212	0.4
113.02451	0.4
115.89413	0.3
117.03468	34.8
121.02953	74.9
125.02430	0.5
135.58826	0.3
137.02658	0.3
145.02966	100.0
146.03296	0.7
180.05811	0.6
181.06628	4.7
191.05580	0.7
208.75706	0.3
220.69116	0.4
225.05629	6.4
264.12729	0.3
313.07236	14.7
357.06293	3.6
401.08850	36.7
449.13196	0.6
509.14832	0.4
637.17755	1.3
697.20013	8.1
945.59302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.7409
Annotation	Unknow
Peak:m/z	Relative Intensity
82.13354	0.3
87.98802	0.3
89.01040	0.3
89.02460	0.6
98.56027	0.3
134.20381	0.3
167.23558	0.3
169.92807	0.3
210.23125	0.4
425.43533	0.4
439.32272	2.1
440.32452	2.4
441.33676	0.4
469.33237	2.1
485.32947	2.0
486.33032	3.5
487.34378	100.0
488.34750	2.5
603.39154	97.8
604.39447	2.3
914.47522	0.3
926.98914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.6495
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95895	6.2
83.05053	0.6
92.65238	0.7
95.94846	0.5
111.84203	0.6
112.92816	0.5
116.85934	0.5
120.01970	0.6
152.99603	1.2
167.78912	0.5
168.04320	1.1
224.07018	0.8
242.08162	2.4
277.21771	100.0
278.22171	0.8
298.81613	0.6
378.99445	0.6
502.29523	69.2
503.29791	2.6
576.33295	3.3
946.80579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.7259
Annotation	Unknow
Peak:m/z	Relative Intensity
111.01152	0.9
121.02978	1.1
173.29013	1.0
177.76332	1.0
217.88950	1.0
220.78255	0.9
313.73468	1.1
317.50793	1.0
407.28934	1.1
423.32626	1.5
434.49127	1.1
469.33167	12.7
487.34390	98.3
488.35541	1.1
587.73889	1.0
601.37604	100.0
602.37927	5.1
740.22809	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03459	0.2
83.01402	0.3
85.02945	1.7
87.00875	1.8
92.10898	0.4
93.03457	11.9
97.08614	0.2
101.02444	0.5
107.01435	1.7
109.02991	1.4
110.55407	0.2
111.04551	1.4
113.02466	0.5
117.03445	0.5
117.63486	0.2
119.05061	1.2
121.02958	2.0
123.00838	0.3
127.04082	0.3
132.02176	0.3
133.02992	1.2
134.03755	1.5
135.00905	1.3
135.04533	4.7
137.02472	1.1
141.07211	0.3
143.05042	1.1
145.02924	0.4
151.00371	0.8
151.04102	0.2
152.01154	0.4
153.02003	0.5
156.05772	0.2
157.06613	0.9
159.04509	1.9
160.01651	3.2
161.02458	0.4
163.00381	2.8
163.03981	0.9
165.01834	0.4
167.05054	0.3
169.06616	1.1
171.04550	1.1
173.04581	4.4
173.06027	0.4
178.02774	0.4
178.06332	0.3
179.03499	1.1
182.03815	0.2
183.04622	0.4
183.14009	0.3
185.06104	4.1
187.04028	4.4
189.05611	1.4
191.05646	22.0
195.04530	0.5
196.05428	0.4
197.06213	1.7
198.03282	0.3
199.04059	0.9
201.05676	0.9
211.04137	1.7
213.05618	3.1
213.09070	0.3
215.03653	0.4
223.04022	0.4
227.03568	8.0
229.05096	17.9
231.10442	0.4
239.03546	2.2
240.04260	1.5
241.05107	2.5
243.03175	0.4
255.03041	8.1
256.03772	1.5
257.04602	10.1
257.08139	1.5
267.02997	1.4
275.09351	0.9
284.03299	5.5
285.04105	100.0
286.04504	1.7
320.30139	0.3
331.38409	0.2
377.28958	0.3
447.09155	0.3
449.14655	11.7
463.22607	0.3
485.28848	1.8
533.31360	2.5
561.29572	0.3
593.15533	0.4
635.16345	59.2
636.16638	1.5
672.42200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.7457
Annotation	Unknow
Peak:m/z	Relative Intensity
89.94078	0.1
117.60014	0.1
131.88510	0.1
186.46120	0.1
240.51886	0.1
257.61481	0.1
485.32877	0.5
486.33197	0.5
487.34204	0.6
564.78418	0.1
587.39673	100.0
588.40027	3.6
589.40363	0.3
777.92542	0.1
1075.73889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
76.79967	0.1
83.01416	0.2
91.01916	0.2
91.46586	0.1
93.03455	1.6
93.03931	0.1
101.02490	0.1
107.01405	1.8
108.02204	0.2
109.02955	0.7
112.31060	0.1
113.02496	0.1
117.03498	0.4
119.01384	0.2
119.05035	0.2
121.02962	0.2
130.04219	0.1
131.04984	0.1
133.02893	0.1
134.57645	0.1
135.00896	1.0
135.04529	0.2
137.02432	0.4
141.07138	0.4
143.05031	1.1
145.02995	0.5
145.06616	0.2
149.79532	0.1
151.00439	0.7
153.01979	0.7
154.04292	0.2
155.05017	0.4
156.05824	0.2
157.06616	0.9
159.04517	1.8
161.02493	0.1
163.00388	2.8
163.04024	1.1
165.01959	0.7
167.05055	0.7
169.06584	1.1
171.04517	0.8
173.02451	0.1
173.06099	0.2
178.06366	0.7
182.03780	0.2
183.04488	0.6
183.13870	0.4
184.05286	0.2
185.06107	3.9
187.04027	3.4
189.05621	1.3
191.05641	0.4
192.32010	0.1
193.08693	0.4
195.04500	0.9
196.05347	0.4
197.06177	1.4
198.03323	0.2
199.04047	1.2
201.05588	1.0
211.04034	2.8
212.04759	0.6
213.05614	3.2
214.02757	0.4
215.03523	0.5
217.05193	0.1
223.04073	0.5
224.04948	0.2
226.02740	0.1
227.03548	6.4
229.05081	18.7
239.03539	2.2
240.04330	1.0
241.05106	2.8
243.03030	0.6
255.03036	7.1
256.03806	1.6
257.04584	9.5
267.03052	1.5
284.03305	6.4
285.04092	100.0
286.04398	1.5
300.02969	0.2
312.69403	0.1
382.26193	0.1
412.05469	0.1
463.21814	0.6
575.14136	0.2
593.15399	0.4
624.07373	0.1
635.16327	52.8
636.16656	1.4
708.85126	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	1075.6488
Annotation	Unknow
Peak:m/z	Relative Intensity
80.39109	2.2
91.41679	2.7
92.10742	5.3
121.02982	10.9
150.20969	3.0
191.05591	3.5
302.25336	3.2
469.29526	11.1
517.32001	5.0
519.33368	44.4
519.62323	3.0
555.31024	100.0
795.69202	3.1
919.96466	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	1071.6178
Annotation	Unknow
Peak:m/z	Relative Intensity
74.51457	1.9
92.10002	3.6
93.03455	2.6
107.48203	1.6
121.02963	23.1
122.61256	1.9
125.44001	1.8
126.78123	1.9
128.36546	1.7
130.81439	1.8
137.02461	7.4
145.34315	1.8
173.04613	2.9
188.89201	2.3
191.05620	1.9
205.75749	1.8
248.89815	1.9
266.26138	1.8
372.86307	1.9
469.29675	86.0
470.29523	4.1
487.30688	26.6
517.31750	100.0
518.32257	3.0
553.29535	94.9
799.98749	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	1075.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
91.01708	1.0
93.03471	7.5
96.63838	1.2
101.02391	1.4
108.02203	1.4
109.02952	1.8
121.02958	17.0
122.03749	13.4
133.02942	2.9
134.03752	4.9
135.04512	2.5
136.01692	15.5
137.02458	14.5
145.02953	1.6
146.03790	1.4
149.02469	43.4
149.06097	3.1
150.03244	99.9
151.00374	6.5
151.04019	23.0
152.01178	1.3
152.04652	1.5
161.02507	1.7
162.03259	2.1
163.04083	2.1
164.04762	8.7
165.01926	6.8
165.05583	100.0
166.02736	17.5
167.03529	1.7
173.04559	6.4
175.04025	5.2
177.05534	2.8
179.03549	2.1
179.07169	8.1
180.04321	12.9
181.05087	22.6
184.03769	2.2
187.04008	2.1
191.03494	1.5
191.05618	7.5
193.05139	1.8
195.06648	42.9
205.05025	6.6
207.06671	1.8
209.11880	2.1
226.77254	1.3
308.52130	1.4
329.10425	2.4
343.11606	1.5
357.09851	2.3
372.12421	3.0
373.12955	11.8
387.14655	13.5
394.79251	1.3
402.13342	1.6
403.14371	1.6
417.15677	8.4
421.15137	7.9
535.15814	2.7
550.18433	1.4
565.20868	26.1
602.16949	1.5
613.23376	15.0
713.26221	15.7
743.27167	8.5
761.28461	18.7
773.28833	1.6
791.28918	2.3
809.30548	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	1075.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
91.01708	1.0
93.03471	7.5
96.63838	1.2
101.02391	1.4
108.02203	1.4
109.02952	1.8
121.02958	17.0
122.03749	13.4
133.02942	2.9
134.03752	4.9
135.04512	2.5
136.01692	15.5
137.02458	14.5
145.02953	1.6
146.03790	1.4
149.02469	43.4
149.06097	3.1
150.03244	99.9
151.00374	6.5
151.04019	23.0
152.01178	1.3
152.04652	1.5
161.02507	1.7
162.03259	2.1
163.04083	2.1
164.04762	8.7
165.01926	6.8
165.05583	100.0
166.02736	17.5
167.03529	1.7
173.04559	6.4
175.04025	5.2
177.05534	2.8
179.03549	2.1
179.07169	8.1
180.04321	12.9
181.05087	22.6
184.03769	2.2
187.04008	2.1
191.03494	1.5
191.05618	7.5
193.05139	1.8
195.06648	42.9
205.05025	6.6
207.06671	1.8
209.11880	2.1
226.77254	1.3
308.52130	1.4
329.10425	2.4
343.11606	1.5
357.09851	2.3
372.12421	3.0
373.12955	11.8
387.14655	13.5
394.79251	1.3
402.13342	1.6
403.14371	1.6
417.15677	8.4
421.15137	7.9
535.15814	2.7
550.18433	1.4
565.20868	26.1
602.16949	1.5
613.23376	15.0
713.26221	15.7
743.27167	8.5
761.28461	18.7
773.28833	1.6
791.28918	2.3
809.30548	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	1059.7514
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02977	0.5
92.10082	0.4
92.66028	0.2
93.03502	0.2
95.40010	0.2
110.65941	0.2
191.05682	3.5
227.03537	0.5
228.04343	0.2
283.13437	1.1
353.14011	0.4
393.31607	0.4
405.31870	0.2
423.32544	0.8
425.34515	0.2
442.60767	0.2
471.34882	100.0
472.35226	2.2
587.39655	67.1
588.39935	1.9
723.68530	0.2
867.45471	1.9
1059.51013	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.7523
Annotation	Unknow
Peak:m/z	Relative Intensity
79.51981	0.5
85.02972	2.4
102.80489	0.5
152.22359	0.6
180.17963	0.6
191.05669	7.6
199.03841	0.7
227.03584	3.8
283.13409	3.8
353.14066	1.4
471.34885	100.0
472.35141	1.3
571.15350	0.6
587.39673	69.1
635.13458	0.6
739.35156	0.6
772.03162	0.7
867.45544	4.8
868.46100	0.9
1059.52173	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	1061.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03479	0.1
83.05017	0.2
85.02962	4.1
85.03462	0.2
87.00882	1.0
93.03455	1.8
93.03924	0.1
109.02969	0.5
111.04543	0.9
127.04025	1.5
133.02986	1.1
135.04555	1.0
137.02449	0.1
155.03529	0.2
161.02463	2.0
171.03024	0.4
173.04578	1.9
174.05022	0.1
177.01996	0.1
179.03450	1.0
191.05643	100.0
192.06012	0.9
250.91753	0.1
287.35526	0.1
346.06314	0.1
351.07272	0.5
352.07623	0.2
353.08850	23.2
354.09341	0.1
707.18158	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
76.58098	0.1
77.03968	0.1
84.31667	0.1
85.02966	0.4
93.03471	0.3
99.00892	0.1
101.02425	0.1
107.05021	0.1
108.02195	0.6
109.02972	0.4
119.05056	0.1
121.02964	100.0
122.03297	1.5
131.05032	0.1
135.04578	0.7
149.02483	0.2
152.01140	0.8
153.01935	0.2
163.04036	0.2
191.05602	0.3
205.05074	0.4
345.22983	0.1
352.36575	0.1
369.55811	0.1
373.12814	0.1
417.12003	20.4
418.12271	0.9
643.30133	0.8
758.79114	0.1
763.30927	0.1
779.92133	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	1063.5987
Annotation	Unknow
Peak:m/z	Relative Intensity
77.37022	2.3
95.33897	2.2
104.91844	2.6
105.10446	2.3
112.87307	2.8
249.86502	2.6
277.21829	5.5
368.82495	3.0
467.74542	2.7
531.70160	2.9
533.64056	2.9
549.28552	100.0
717.99268	2.9
927.96509	3.6
943.20337	2.9
1063.54236	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	1057.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03464	30.4
108.02178	1.4
121.02959	100.0
123.05626	1.0
133.02968	4.5
134.03752	2.3
135.04561	7.5
137.02449	44.3
155.03494	6.7
162.03262	1.9
172.10011	1.0
173.04533	4.2
173.42799	1.0
179.03493	3.9
214.24550	0.9
259.57892	1.1
268.77499	1.0
275.09241	1.7
295.08322	2.0
334.06985	8.3
412.11942	1.3
456.10703	3.9
475.29474	1.1
490.42758	1.1
503.34155	6.8
504.34146	2.0
507.41348	1.1
553.17310	36.1
621.89264	1.3
898.84265	1.0
899.02240	1.4
923.89343	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.7518
Annotation	Unknow
Peak:m/z	Relative Intensity
107.22686	0.1
191.05678	0.9
283.13425	0.2
305.67303	0.1
315.84396	0.1
353.13940	0.1
469.33212	0.1
470.33533	0.1
471.34891	91.7
472.35223	1.9
587.39661	100.0
588.40021	2.6
867.45557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
74.63190	0.1
79.91512	0.1
80.75926	0.1
82.15006	0.1
83.01385	0.3
85.02972	0.2
87.00894	0.2
91.01910	0.5
93.03452	2.4
101.02470	0.1
107.01391	1.6
107.05006	0.1
108.02212	0.2
109.02959	1.2
117.03468	0.6
119.01423	0.2
119.05046	0.2
121.02965	0.7
123.00909	0.1
130.04205	0.1
131.05048	0.4
133.02985	0.1
135.00912	1.4
135.04539	0.2
137.02440	0.5
141.07164	0.2
143.05055	1.6
145.02953	0.6
145.06596	0.1
147.00934	0.1
151.00383	0.9
152.01219	0.2
153.01942	0.7
154.04256	0.3
155.05029	0.3
157.06595	0.9
158.03662	0.1
159.04539	1.4
161.02448	0.3
163.00368	3.1
163.04033	0.2
164.01169	0.2
165.01912	0.7
167.05019	0.9
168.05807	0.2
169.06601	1.2
171.04552	0.8
173.04520	0.4
173.06046	0.4
174.03183	0.1
182.03818	0.1
183.04512	0.3
183.13824	0.2
184.05234	0.4
185.06091	3.7
187.04019	4.3
189.05606	1.6
190.99809	0.2
191.05630	1.8
192.00763	0.2
192.06235	0.1
193.05255	0.1
195.04533	1.5
195.06126	0.1
196.05302	0.4
197.06091	1.6
198.03270	0.1
199.04074	1.4
201.05580	1.0
211.04060	2.4
212.04782	0.5
213.05605	3.3
214.02774	0.4
215.03566	0.5
223.03996	0.2
226.02791	0.1
227.03551	7.1
229.05089	19.5
230.05441	0.2
239.03493	2.0
240.04317	1.2
241.05092	2.7
243.03075	0.6
255.03030	7.3
256.03729	2.0
257.04593	10.5
267.02988	1.6
284.03308	5.9
285.04086	100.0
286.04364	1.8
300.02859	0.5
301.03485	0.2
488.84955	0.1
524.98828	0.1
593.15546	0.3
635.16327	52.3
636.16504	1.5
637.17548	0.1
700.51776	0.1
761.14264	0.1
1025.93384	0.1
1034.80981	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	1053.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
74.63190	0.1
79.91512	0.1
80.75926	0.1
82.15006	0.1
83.01385	0.3
85.02972	0.2
87.00894	0.2
91.01910	0.5
93.03452	2.4
101.02470	0.1
107.01391	1.6
107.05006	0.1
108.02212	0.2
109.02959	1.2
117.03468	0.6
119.01423	0.2
119.05046	0.2
121.02965	0.7
123.00909	0.1
130.04205	0.1
131.05048	0.4
133.02985	0.1
135.00912	1.4
135.04539	0.2
137.02440	0.5
141.07164	0.2
143.05055	1.6
145.02953	0.6
145.06596	0.1
147.00934	0.1
151.00383	0.9
152.01219	0.2
153.01942	0.7
154.04256	0.3
155.05029	0.3
157.06595	0.9
158.03662	0.1
159.04539	1.4
161.02448	0.3
163.00368	3.1
163.04033	0.2
164.01169	0.2
165.01912	0.7
167.05019	0.9
168.05807	0.2
169.06601	1.2
171.04552	0.8
173.04520	0.4
173.06046	0.4
174.03183	0.1
182.03818	0.1
183.04512	0.3
183.13824	0.2
184.05234	0.4
185.06091	3.7
187.04019	4.3
189.05606	1.6
190.99809	0.2
191.05630	1.8
192.00763	0.2
192.06235	0.1
193.05255	0.1
195.04533	1.5
195.06126	0.1
196.05302	0.4
197.06091	1.6
198.03270	0.1
199.04074	1.4
201.05580	1.0
211.04060	2.4
212.04782	0.5
213.05605	3.3
214.02774	0.4
215.03566	0.5
223.03996	0.2
226.02791	0.1
227.03551	7.1
229.05089	19.5
230.05441	0.2
239.03493	2.0
240.04317	1.2
241.05092	2.7
243.03075	0.6
255.03030	7.3
256.03729	2.0
257.04593	10.5
267.02988	1.6
284.03308	5.9
285.04086	100.0
286.04364	1.8
300.02859	0.5
301.03485	0.2
488.84955	0.1
524.98828	0.1
593.15546	0.3
635.16327	52.3
636.16504	1.5
637.17548	0.1
700.51776	0.1
761.14264	0.1
1025.93384	0.1
1034.80981	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	1049.6803
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95897	8.8
92.80238	0.5
114.68141	0.5
115.38206	0.5
152.99652	1.4
157.20958	0.7
168.04265	1.2
197.01131	0.7
224.06938	7.4
231.23166	0.6
242.08031	0.8
255.23318	100.0
256.23550	1.2
414.86905	0.7
480.31046	67.6
495.28525	0.5
554.34583	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	1051.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
79.56355	0.1
81.03442	0.3
83.01417	0.9
85.02956	0.2
93.03458	12.0
99.00877	0.2
107.01402	2.5
109.02984	0.7
111.00906	0.3
111.04537	2.7
113.30987	0.2
117.03476	2.0
119.01382	0.1
119.05026	2.7
121.02959	12.4
132.02182	0.3
133.02959	0.6
135.00919	1.0
135.04562	0.3
137.02431	2.9
143.05034	0.9
145.02971	12.3
145.06595	0.2
151.00392	4.8
153.01955	0.3
155.03529	2.2
157.06642	0.3
159.04536	0.7
161.02475	0.7
161.06139	0.3
163.00395	2.2
163.04041	2.7
164.01135	0.2
165.01912	0.3
166.62047	0.1
167.05057	0.6
169.01466	0.6
169.06609	0.9
171.04532	0.3
173.04565	58.8
174.03363	0.1
174.04849	0.3
178.99854	0.2
183.04517	0.7
185.06090	2.1
187.04054	2.1
189.05595	0.9
191.05603	0.5
192.95030	0.2
195.04535	0.7
196.05376	0.2
197.06120	0.7
199.04028	0.9
200.04811	0.6
201.05568	0.2
211.04027	1.9
212.04753	0.9
213.05612	1.9
214.02719	0.3
215.03531	0.2
227.03537	30.1
228.04149	0.6
229.05095	8.6
239.03482	1.9
240.04323	0.9
241.05141	1.6
243.02946	0.2
248.89880	0.2
255.03026	56.3
256.03772	6.7
257.04581	6.2
267.02954	1.0
268.03558	0.2
270.12662	0.2
271.02676	0.2
275.18451	0.1
283.02475	0.8
284.03311	72.8
285.04089	72.8
286.04398	1.5
295.08276	15.0
296.08496	0.2
299.05771	0.1
300.02863	0.6
301.03598	0.9
307.08386	1.6
327.05228	0.3
447.09531	2.0
457.11469	0.9
593.13159	100.0
594.13556	3.4
743.74341	0.2
784.96765	0.2
929.20410	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.6599
Annotation	Unknow
Peak:m/z	Relative Intensity
77.53535	0.7
82.53277	0.7
84.80985	0.6
102.43223	0.8
123.93692	0.7
169.19737	0.7
185.10835	0.7
191.51439	0.8
233.74310	0.9
263.02762	0.8
503.33905	78.6
504.33945	1.3
539.31555	100.0
540.31451	3.0
541.31360	1.1
668.83148	1.0
702.92096	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.6617
Annotation	Unknow
Peak:m/z	Relative Intensity
82.15269	0.8
90.66090	0.8
136.75522	0.9
151.03839	0.8
202.16747	0.9
410.70245	0.8
503.33887	87.2
504.34091	5.0
539.31573	100.0
540.31470	1.5
594.48694	1.0
720.48431	0.8
724.15405	0.9
755.77454	0.9
803.79437	0.9
879.63690	1.2
1016.58264	0.8
1080.54517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
73.46716	0.1
75.87566	0.1
79.01930	0.1
81.03464	0.9
85.02953	0.7
85.58916	0.1
89.02446	0.1
91.73163	0.1
93.03465	0.9
95.01388	0.2
102.40283	0.1
107.01411	0.1
107.05024	0.2
108.02182	100.0
109.02969	15.8
117.03469	0.2
119.05061	0.2
121.02956	5.7
123.00889	0.7
123.04533	1.1
125.02464	0.2
131.05063	0.1
133.02971	1.3
134.03740	0.1
135.00838	0.7
135.04523	1.3
142.53554	0.1
145.02972	1.1
151.04027	2.3
152.01166	65.9
153.01950	19.8
153.03271	0.2
161.33757	0.1
163.04036	1.9
165.01917	0.8
173.04565	0.1
177.01884	0.1
179.03493	0.4
181.05072	0.2
185.06059	0.4
191.05679	1.6
195.02971	0.2
207.03131	0.2
211.07660	0.1
213.05621	0.2
225.04077	0.1
255.03174	0.2
255.10103	0.1
284.03342	0.4
285.04053	0.8
286.04544	0.2
291.17981	0.1
297.06244	0.2
419.09906	85.7
420.10287	1.3
492.57141	0.1
509.43896	0.1
595.82336	0.1
613.16858	0.2
1009.81885	0.1
1033.47119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5856
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	20.7
73.02953	2.9
85.02973	2.9
87.00903	4.0
89.02441	21.1
90.75694	2.4
92.10787	7.5
97.02995	2.6
101.02424	17.8
109.06609	2.6
111.08198	9.9
113.02473	4.1
119.03513	2.4
125.02470	3.5
128.90495	2.1
144.67336	2.6
146.41087	2.4
150.26688	2.2
161.04572	3.4
166.30211	2.0
169.12358	2.2
179.05682	2.3
197.11858	37.1
209.15521	4.0
211.13480	4.7
225.15013	16.7
235.08257	2.4
251.16464	2.9
277.21786	74.2
291.19714	24.2
309.20770	100.0
358.05133	2.5
379.12503	3.8
397.13614	61.5
415.14514	18.7
689.34753	5.1
707.34961	3.2
759.42212	2.7
787.90820	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	1027.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01410	0.2
85.02937	0.3
87.00895	0.2
89.02463	0.9
93.03442	0.7
96.96042	0.3
101.02502	0.3
107.01398	0.5
113.02437	0.3
117.03503	0.3
119.03441	0.3
119.04999	0.2
121.02948	3.8
121.03575	0.2
125.95985	0.2
134.03699	0.2
135.03011	0.3
135.04524	1.0
145.02977	0.3
151.00391	2.1
159.04643	0.2
169.06606	0.4
171.04497	0.3
175.04060	0.3
178.99820	0.3
183.04556	1.6
185.02426	0.3
185.06087	0.8
187.03992	0.4
191.05641	1.6
211.04106	1.9
211.07689	0.3
213.05637	0.5
225.05537	0.2
227.03546	6.2
229.05060	0.3
239.03464	0.4
241.05214	0.3
243.03027	0.4
255.03026	42.3
256.03671	1.3
257.04593	0.5
269.04626	1.1
281.04688	0.4
283.02533	100.0
284.03268	12.2
285.04092	73.7
286.04523	1.1
297.03970	1.7
298.04828	0.4
299.05716	0.5
327.05182	2.5
327.08591	0.3
354.03995	0.2
417.14569	0.3
427.14920	0.4
446.08630	21.8
447.09409	25.2
489.10495	1.8
528.45270	0.2
549.17883	0.3
549.25592	0.3
609.14764	73.0
610.14941	1.8
669.41681	0.2
750.14539	0.3
781.32208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.6993
Annotation	Unknow
Peak:m/z	Relative Intensity
80.28851	0.2
127.61861	0.2
200.30243	0.2
205.63200	0.2
300.36075	0.2
351.82611	0.2
374.26031	0.2
380.96594	0.2
421.31033	0.3
487.34372	100.0
488.34720	14.5
489.35126	5.9
502.33453	0.3
533.34985	0.4
553.15546	0.2
567.59546	0.2
1021.69855	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.6426
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01408	1.2
73.71921	0.7
76.02777	0.7
83.05049	1.0
84.50990	0.6
86.29780	0.7
89.02469	1.0
92.10869	1.3
101.02428	1.2
103.02566	0.6
113.02505	1.0
121.30175	0.7
160.80569	0.7
161.04567	1.2
164.65512	0.7
165.12823	1.1
167.19922	0.7
209.09833	1.5
209.11865	59.7
227.12924	8.3
235.08231	5.6
253.09216	6.4
277.21759	92.1
282.20285	0.9
299.20209	100.0
513.30731	2.9
719.86273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	0.6
73.02969	0.3
85.02967	0.5
87.00877	0.5
93.03464	1.6
97.55479	0.4
101.02460	0.6
111.45208	0.3
117.03477	33.2
119.05029	1.5
121.02975	1.8
123.04554	0.6
125.02478	0.6
127.71563	0.4
128.88130	0.3
135.04471	0.7
137.02414	0.7
145.02975	100.0
146.03267	0.5
163.04071	0.8
167.09091	0.4
173.04556	2.0
179.03586	0.4
188.71869	0.4
191.05669	4.4
211.13472	0.7
229.14507	0.4
232.76274	0.4
285.04077	0.6
327.21878	3.3
365.11078	0.5
394.69388	0.5
498.66626	0.4
554.90894	0.4
637.17810	2.0
655.18878	2.1
657.83490	0.5
688.21796	0.4
697.19958	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	0.8
73.02959	0.1
75.00883	0.1
75.05364	0.1
81.03474	0.1
83.01397	0.1
83.05042	0.3
85.02956	7.2
87.00874	1.8
87.01369	0.1
90.21584	0.1
93.03458	3.9
95.01398	0.1
97.02951	0.1
99.04528	0.3
101.02448	0.1
108.02171	0.1
109.02955	0.8
111.04519	1.1
113.02492	0.2
117.03455	0.3
119.05032	0.3
121.02950	0.3
127.04018	2.3
135.02943	0.1
135.04544	0.4
137.02435	0.3
137.31754	0.1
139.00369	0.1
143.03503	0.1
145.02971	1.3
151.83391	0.1
152.01155	0.3
153.01898	0.1
155.03526	0.3
159.04536	0.2
161.02396	0.1
163.04028	0.1
165.96361	0.1
171.03017	0.7
172.05342	1.3
173.04581	1.7
173.05998	0.2
179.03534	0.1
183.04466	0.7
187.07661	13.1
190.55623	0.1
191.05635	100.0
192.05975	0.8
193.06233	0.1
199.04042	1.1
200.04820	0.6
202.06354	0.3
204.04382	0.4
209.11845	0.1
211.04053	0.1
211.07681	0.5
213.09251	1.6
214.06512	0.1
215.07172	2.2
227.03549	1.9
227.07063	0.1
228.04353	1.7
229.08757	0.9
231.06628	0.1
231.10347	0.8
232.03877	0.1
255.06642	0.3
256.06918	0.2
257.08224	12.2
257.99683	0.1
258.08432	0.1
275.09314	1.0
275.12042	0.1
285.04123	0.1
327.08795	0.1
358.97226	0.1
405.12146	0.4
431.13495	0.3
449.14603	8.3
571.16748	0.5
593.15240	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	1021.6627
Annotation	Unknow
Peak:m/z	Relative Intensity
75.45504	0.4
102.98872	0.4
117.03429	0.8
121.02975	0.4
145.02950	3.1
146.75668	0.5
150.01979	0.4
297.52481	0.5
360.59656	0.5
391.30157	0.9
409.27573	0.8
418.48279	0.5
423.29291	3.8
439.28546	1.1
441.30225	2.1
451.28699	4.4
457.29706	3.0
469.29700	26.1
487.23581	0.6
487.30737	19.8
503.33893	100.0
504.34247	5.2
505.34845	0.6
517.31781	77.1
518.31976	2.6
655.41388	0.6
1041.80701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01401	0.9
72.99294	0.3
80.11407	0.2
83.01400	1.5
85.02971	0.8
93.03452	1.3
99.00892	2.5
107.05052	0.4
108.02206	0.4
109.02970	4.8
110.00132	0.7
111.00890	2.0
111.04594	0.2
113.02473	0.7
115.00395	1.3
119.05036	0.8
121.02966	100.0
121.06567	1.4
122.03267	0.4
123.00896	0.7
123.04567	0.2
131.05009	0.3
133.02992	1.0
135.00899	0.2
135.04529	6.3
136.98795	0.3
137.02470	2.1
137.99591	0.3
139.00377	4.9
145.02975	1.4
146.03740	0.3
147.00937	0.3
147.04524	2.3
148.05305	2.0
149.06100	34.5
150.03252	0.7
151.03992	0.4
159.04521	2.8
160.05269	0.4
161.02464	10.0
161.06070	2.9
162.03159	0.4
163.00400	0.3
163.04010	3.0
165.01952	5.6
165.05569	1.5
171.04552	0.3
173.02444	0.2
174.03189	0.9
175.02524	0.3
175.04021	7.7
175.07664	0.3
176.04790	0.2
177.01936	4.1
177.05545	1.7
179.03525	0.3
185.06090	1.1
187.04010	3.1
187.07637	0.2
188.04807	2.2
189.01878	0.3
189.05646	1.9
191.03555	1.0
193.05084	5.8
201.05598	1.0
203.03563	0.9
203.07129	2.5
205.05139	1.3
206.02190	1.0
213.05537	1.3
215.03537	0.3
217.05171	0.2
219.03029	12.2
221.04562	1.6
227.03584	0.4
228.04333	0.2
229.05112	2.1
231.03032	4.9
231.06543	2.6
233.04593	4.5
237.04086	13.8
245.04495	0.4
247.06165	0.7
255.02953	0.4
255.05280	0.3
256.03842	0.3
257.00693	0.3
257.04651	2.0
258.01822	0.2
259.02505	17.1
271.02628	0.3
273.04028	0.2
274.04825	1.4
275.05646	1.3
277.03580	1.3
284.03308	0.4
285.04074	1.1
288.37350	0.2
289.03699	0.3
293.06680	1.2
301.03543	1.5
316.57321	0.2
318.03928	0.3
319.01413	0.2
319.04700	1.8
337.05756	9.7
381.08511	0.3
417.11984	18.4
463.09052	0.2
485.10925	2.1
503.12061	2.0
541.13745	1.2
543.11444	1.7
559.14740	0.2
585.12634	50.1
586.13129	1.0
593.13031	0.2
603.13641	6.9
607.99768	0.2
816.30084	0.2
852.11176	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.5913
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01399	11.2
74.62782	1.3
82.95420	20.3
83.18633	1.6
84.00915	49.3
85.02975	2.1
87.00875	2.3
89.02464	10.4
93.11781	1.4
99.36946	1.7
101.02436	13.3
106.09041	2.0
113.02461	2.9
125.02479	2.9
143.03494	1.9
161.04514	1.8
230.10480	1.7
235.08211	3.3
244.61267	1.7
277.21738	100.0
379.12344	7.0
397.13550	31.6
415.14502	3.7
470.90515	1.9
513.21686	2.1
617.85803	1.7
657.35602	2.0
907.89478	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	1018.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	2.0
77.04011	0.0
81.03454	0.5
83.01415	0.1
83.05022	0.6
85.02964	0.2
85.50083	0.0
86.91855	0.0
87.00883	0.2
90.30903	0.0
91.64040	0.0
93.03457	14.8
94.03783	0.2
94.60760	0.1
99.00862	0.1
106.97739	0.0
108.02212	0.1
109.02956	0.6
111.00879	0.6
111.04530	3.8
113.02444	0.2
115.04029	0.1
121.02954	24.1
122.03284	0.4
127.04025	0.3
129.01930	0.1
133.02960	1.0
134.03291	0.1
135.04520	0.7
135.40868	0.0
137.02452	4.2
138.02769	0.1
143.03616	0.1
145.03032	0.1
155.03526	4.6
161.02461	1.6
173.04565	100.0
174.04898	0.9
177.01884	0.1
179.03506	0.5
191.05701	0.4
252.01837	0.1
295.08282	40.0
296.08676	0.7
335.07806	1.6
346.74982	0.0
455.10043	0.1
457.11472	6.3
458.11792	0.2
780.82300	0.1
809.42499	0.1
832.57031	0.1
917.49756	0.1
1033.63184	0.1
1050.18958	0.1
1054.80457	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	1019.6842
Annotation	Unknow
Peak:m/z	Relative Intensity
85.56356	0.2
89.85168	0.2
90.79211	0.2
128.07899	0.2
154.06209	0.3
189.37169	0.2
223.11507	0.2
421.31439	0.4
437.31042	0.6
450.27338	0.2
465.30453	0.4
487.34396	100.0
488.34659	2.6
501.32382	4.0
773.96130	0.2
982.53339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.6711
Annotation	Unknow
Peak:m/z	Relative Intensity
79.33860	0.4
97.38290	0.5
98.46630	0.4
132.86990	0.5
136.76636	0.4
145.80499	0.4
165.51689	0.4
208.68900	0.5
487.34375	100.0
488.34616	2.5
523.32056	29.4
565.83875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.6706
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01408	1.0
73.00894	1.0
88.86665	1.0
94.02003	0.9
101.33627	1.1
114.09869	1.0
128.84338	1.1
168.44102	1.3
172.65570	1.1
268.11911	1.2
460.72455	1.3
487.34402	100.0
488.34961	4.6
523.32068	38.7
631.47394	1.2
791.36139	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.6704
Annotation	Unknow
Peak:m/z	Relative Intensity
84.39294	3.6
138.47177	3.1
356.05542	3.3
429.15808	3.7
487.34393	100.0
488.34543	6.6
523.32025	28.3
637.45142	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	1015.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01400	0.2
84.59833	0.1
87.00928	0.1
89.57968	0.1
91.01883	0.9
93.03490	0.7
95.01360	0.1
104.08481	0.1
107.01440	0.6
108.02243	0.2
109.02957	1.8
117.03477	0.3
119.05027	7.6
121.02955	3.4
125.02476	0.6
132.02174	0.2
135.00887	3.4
135.04538	0.2
137.02518	0.3
143.05017	0.2
145.02971	0.2
151.00401	2.3
152.01224	0.3
153.00722	0.2
153.01958	4.9
159.04575	0.2
161.02386	0.2
163.00362	0.5
169.01454	0.6
174.03326	0.3
175.04013	0.2
178.99876	0.7
181.05121	0.3
182.03760	0.3
183.04570	0.8
185.06044	0.5
187.04019	0.5
191.05650	0.7
197.06125	0.2
203.03650	0.1
211.03963	1.3
213.05583	0.6
227.03535	61.6
228.03897	1.0
229.05090	1.4
239.03539	0.6
241.04935	0.5
243.02977	0.2
255.03026	82.8
256.03757	6.7
257.04657	1.0
283.02975	0.2
284.03302	81.7
285.04068	21.8
285.07361	0.2
299.05725	0.5
327.05243	2.0
350.68298	0.1
359.45242	0.1
447.09375	100.0
448.09808	1.8
455.80136	0.2
459.11411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.5918
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	12.5
72.99331	1.1
73.02966	1.3
85.02977	1.2
87.00882	4.5
89.02435	14.4
97.02959	1.0
101.02467	11.9
113.02428	8.0
119.03526	1.6
125.02440	4.3
127.43990	1.2
143.03479	1.5
161.04588	1.8
179.05688	1.8
183.10283	1.4
195.13963	8.9
221.06729	1.3
223.13457	5.6
235.08292	2.4
235.17085	4.4
247.64529	1.1
256.13315	1.4
275.20200	12.9
277.21756	48.8
287.07642	1.5
290.01822	1.1
293.21295	100.0
305.08627	1.9
379.12497	2.2
397.13593	27.9
415.14523	10.5
431.55750	1.2
596.45422	1.1
619.84869	1.4
626.11157	1.1
635.81671	1.1
667.19080	1.2
673.33606	1.7
677.18341	1.2
691.35602	4.2
748.05371	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.6705
Annotation	Unknow
Peak:m/z	Relative Intensity
74.65718	2.1
82.20039	2.3
118.01405	2.5
471.34979	4.4
523.32141	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	101.0244
Annotation	Succinic acid semialdehyde
Peak:m/z	Relative Intensity
52.08589	0.3
52.17335	0.3
55.01886	3.0
57.03459	100.0
59.01392	4.9
59.67334	0.3
71.01390	4.2
72.99301	0.7
73.02953	8.9
83.01406	1.5
83.55821	0.3
99.92561	0.6
100.01444	0.3
100.94622	4.7
100.96020	0.9
101.02446	24.1
101.06120	0.4
115.92086	4.0
116.86309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
72.32861	0.2
79.95744	0.2
83.01418	0.3
85.02987	0.3
85.40860	0.2
92.10912	0.3
93.03449	1.8
101.02466	0.4
107.01389	2.0
109.02995	0.4
117.03464	2.9
119.05037	3.6
121.02962	14.9
123.04394	0.3
132.02191	0.5
133.06625	2.0
135.00890	0.9
143.05057	0.3
145.02974	16.0
148.05415	0.5
151.00383	4.5
157.06549	0.3
159.04521	0.5
161.02428	0.5
163.00398	1.8
163.04019	3.1
163.07797	0.4
164.01138	1.0
169.01396	0.8
171.04501	0.3
183.04581	0.5
185.06088	1.5
187.04094	2.0
189.05568	1.0
191.05682	0.9
195.04587	0.4
197.06151	1.0
199.04070	1.1
200.04843	0.5
201.05600	0.5
211.04010	2.8
211.07614	0.5
212.04886	0.5
213.05588	1.2
227.03551	38.1
228.04172	1.0
229.05070	7.2
239.03653	1.6
240.04572	0.3
241.05119	0.5
255.03032	71.2
256.03760	7.5
257.04599	4.5
267.03006	0.3
269.04480	0.3
283.02481	0.3
284.03314	100.0
285.04092	62.9
307.08374	0.6
315.77750	0.3
327.05136	0.5
335.87454	0.3
361.78781	0.2
417.12042	2.2
447.09418	3.0
593.13147	98.3
594.13470	1.6
850.89026	0.3
1010.25122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.6672
Annotation	Unknow
Peak:m/z	Relative Intensity
84.48491	0.1
92.10776	0.4
99.72574	0.1
117.41477	0.1
377.28568	1.3
379.30072	0.2
389.28448	0.7
391.30084	0.6
407.29468	1.0
453.30164	81.1
454.30515	15.6
455.30795	5.0
471.31229	5.3
472.31345	1.0
473.31754	0.2
501.32306	100.0
502.32639	19.4
503.33710	44.0
504.34006	2.2
848.52081	0.2
960.67822	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.6674
Annotation	Unknow
Peak:m/z	Relative Intensity
72.15939	0.2
119.79796	0.2
140.51218	0.2
144.75186	0.2
163.35901	0.2
375.26816	0.3
377.28604	1.3
389.28595	0.9
391.30234	0.7
395.56982	0.2
407.29565	1.1
453.30188	80.9
454.30530	15.8
455.30875	5.9
471.31256	5.1
472.31589	1.0
473.31516	0.3
491.25684	0.2
501.32324	100.0
502.24960	0.3
502.32657	18.8
503.33768	43.4
504.34271	1.3
706.44617	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01405	0.7
75.00883	0.4
81.03440	0.6
85.02973	0.6
93.03468	1.6
101.02431	0.4
107.05069	0.5
108.02184	100.0
109.02980	16.1
113.02496	0.3
119.05014	1.3
121.02945	7.4
123.00833	0.3
123.04521	1.7
125.02423	0.4
132.08203	0.3
133.02933	1.1
135.00803	0.5
135.04523	1.7
135.47874	0.3
137.02490	0.3
151.04019	2.4
152.01170	64.0
153.01959	19.2
161.02461	0.3
163.04042	3.0
165.01898	0.7
173.04573	1.3
179.03529	1.1
180.03008	0.3
181.05032	0.4
185.06047	0.3
191.05615	1.7
225.04024	0.3
274.66205	0.3
285.04126	0.5
297.06113	0.4
419.09924	80.7
420.10474	2.2
618.37347	0.4
783.45673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6058
Annotation	Unknow
Peak:m/z	Relative Intensity
74.44179	0.7
77.57318	0.7
91.05796	1.0
92.08714	4.3
92.09339	1.9
127.03901	1.0
139.45793	0.7
139.69612	0.8
201.71034	0.9
220.24300	0.8
225.41261	0.7
287.07373	9.6
593.47723	4.0
695.43207	0.8
839.54968	7.0
937.58661	1.7
997.60419	100.0
998.62329	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	1004.6609
Annotation	Unknow
Peak:m/z	Relative Intensity
70.46352	0.2
71.75736	0.2
78.95900	2.8
93.67579	0.2
107.31302	0.2
152.99693	0.5
168.04260	0.7
194.17397	0.2
224.06967	1.9
242.08173	0.3
277.21756	19.5
487.34381	100.0
488.34692	3.4
501.60648	0.2
502.29483	27.9
503.29691	0.2
515.33948	0.7
516.34442	0.3
772.24762	0.3
945.58691	0.9
962.78894	0.2
997.67822	0.3
1004.66357	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	992.6505
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	6.9
69.07054	11.2
71.08624	1.6
74.18192	1.1
79.05463	2.6
81.03400	21.3
81.07046	12.4
83.08598	6.5
85.02881	5.9
88.94238	1.1
91.05455	1.7
91.24506	1.0
93.07018	4.3
95.08581	14.9
97.02885	9.9
97.10136	7.2
99.04411	6.7
107.08558	2.7
109.02858	28.2
109.06450	1.2
109.10133	5.6
111.11693	2.1
111.14421	1.2
117.05452	9.5
119.08521	1.7
121.10111	5.2
122.58456	1.1
123.11646	1.3
127.03899	14.4
131.25967	1.1
135.11703	4.8
137.09526	1.3
147.11617	1.2
149.13229	1.9
159.06493	100.0
160.45738	1.0
161.13190	1.4
161.77800	1.0
169.17471	1.0
177.16351	1.3
186.36906	1.1
186.68011	1.1
187.05991	6.8
211.20676	1.4
217.19522	2.7
235.20650	1.5
247.08080	6.0
247.24100	2.4
253.21614	7.3
265.25208	6.8
271.22482	2.4
283.26172	4.7
322.84140	1.1
369.26559	1.4
493.45688	5.9
517.45892	7.4
526.89124	1.3
535.46906	4.7
627.10272	1.2
633.50439	4.4
651.51477	5.1
693.10291	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	3.3
69.07056	1.0
71.01319	0.5
71.04991	0.3
73.02898	3.7
77.30090	0.1
79.05478	3.2
81.03401	1.6
81.07036	3.4
83.04972	0.3
83.08614	0.3
85.02892	5.8
87.04441	0.2
91.03938	3.4
91.05457	2.2
92.09178	1.0
93.07025	3.1
95.04966	0.9
95.08597	2.5
97.02869	5.7
99.04458	0.9
101.02361	1.9
103.03944	0.2
105.07000	1.5
107.08563	1.3
109.02897	0.9
109.06506	0.2
109.10182	0.9
113.07314	0.1
113.86436	0.1
115.03958	0.2
117.07018	0.2
119.08597	1.0
121.10166	0.8
123.11733	0.2
127.03020	0.3
127.03855	1.7
131.08575	0.6
133.10103	0.4
135.11722	0.7
145.04951	0.6
145.10114	0.3
147.11693	0.2
149.13257	0.3
151.04070	0.2
159.11656	0.5
173.13330	0.2
185.04277	0.8
203.05266	0.9
243.08394	2.2
259.07932	0.2
275.07312	0.2
305.08295	0.2
333.20264	3.2
335.26016	0.6
347.09476	2.9
357.24255	0.2
363.09088	0.8
365.10483	1.3
389.23132	0.6
405.13614	8.6
413.17773	0.2
453.20929	0.6
479.22418	0.2
493.24683	0.3
519.29175	7.4
519.36475	0.3
550.94623	0.2
551.28156	4.3
601.24750	0.2
681.34418	8.8
686.70203	0.2
713.33441	3.3
829.50665	1.9
930.57318	0.2
991.55780	100.0
992.56049	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	989.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	2.1
72.55309	1.0
73.02914	1.9
74.55080	0.9
79.05487	2.2
81.03426	1.2
81.07050	4.9
81.89431	1.1
85.02904	4.6
91.05479	2.3
93.06998	3.6
95.04993	2.3
95.08601	1.7
97.02901	5.9
107.08592	1.5
109.10217	1.2
119.08590	1.1
211.43076	0.9
243.08456	2.1
347.09738	1.8
363.08890	1.0
385.70038	1.0
405.13715	6.2
519.29254	4.9
540.72693	1.1
549.27032	6.2
681.34204	5.0
711.32159	1.6
802.66760	1.4
831.32440	1.4
989.54230	100.0
990.55042	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5803
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04861	0.7
74.46538	0.9
78.98256	0.8
81.84461	0.9
83.14977	0.9
90.31580	0.9
92.09078	4.8
135.08369	0.9
177.74561	1.0
210.43956	0.9
213.23479	0.8
223.32443	0.9
351.07492	1.1
629.27277	100.0
630.26837	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	3.4
69.07082	1.3
70.27529	0.6
73.02901	3.4
79.05493	3.9
81.03426	1.3
81.07043	2.9
85.02880	4.6
89.00795	0.7
91.03897	2.1
91.05468	2.7
92.08639	1.3
92.09235	2.4
93.07055	3.4
95.08589	1.7
97.02866	5.3
99.04424	0.9
101.02350	0.9
105.06998	0.9
107.08611	0.9
109.10181	1.4
112.03645	0.7
119.08585	1.3
121.10146	0.8
243.08334	2.8
347.09567	3.3
405.13483	6.7
434.05145	0.8
435.90729	0.8
519.29321	5.7
544.00452	0.9
549.26709	4.1
571.10693	0.8
681.34454	7.6
711.31354	1.2
762.76300	0.7
989.54224	100.0
990.54529	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	986.604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	6.5
69.07048	22.7
76.87202	4.1
78.14119	3.8
79.05473	100.0
80.13264	3.1
81.03391	14.0
81.07036	93.2
83.04976	5.1
83.08637	8.9
85.02908	21.1
91.03954	8.7
91.05454	74.6
92.89298	3.9
93.07021	95.0
95.04950	23.4
95.08582	70.8
97.02859	16.6
105.07008	74.7
107.08593	45.2
109.10121	35.5
111.41517	3.6
114.36972	3.7
117.06998	29.4
119.08543	64.9
121.10110	44.9
123.11685	6.5
125.83097	3.4
127.03863	5.5
129.06984	7.2
130.07730	4.7
131.08536	37.4
133.10114	44.4
135.11691	23.0
143.08554	7.8
145.10121	26.5
147.11662	38.1
150.42387	4.8
154.24197	4.1
156.59444	3.5
157.10155	8.8
159.11661	25.4
161.13255	17.0
169.10074	5.9
171.11679	8.6
173.13226	14.9
185.13171	4.7
187.14851	4.7
199.14769	4.4
202.58954	3.7
213.08804	3.7
225.91293	4.5
241.19528	4.6
257.18887	4.1
259.20529	22.0
261.22083	15.5
275.19910	8.2
323.18381	3.9
333.24234	24.9
335.25662	71.0
349.23904	4.2
489.35498	25.0
529.38580	34.2
593.45691	7.9
611.46552	67.0
631.69983	4.6
751.04987	4.1
986.56403	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	986.6035
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	2.2
69.07058	14.5
74.51859	1.6
79.05055	2.9
79.05479	54.2
81.03391	3.3
81.07040	56.2
83.04971	2.0
83.08612	15.9
85.02885	6.9
91.05455	41.5
92.08775	8.1
93.07024	49.6
95.04962	12.2
95.08579	37.8
97.02859	2.5
97.06493	3.2
97.10148	20.7
101.12561	2.4
103.36530	1.8
105.07011	39.9
107.04922	4.3
107.08582	47.8
109.06485	9.1
109.10181	14.2
111.08079	2.4
113.05991	2.4
117.06990	18.7
119.08575	32.9
121.10165	18.9
123.08015	1.9
123.11723	4.0
125.09595	14.0
129.06981	7.4
131.08562	17.2
133.10107	19.3
134.71973	1.8
135.08038	6.6
135.11668	10.7
143.08542	9.5
145.10107	21.4
147.11670	15.8
149.09624	4.0
149.13190	3.4
157.10109	9.6
159.11682	14.8
161.13234	4.3
169.10056	2.1
171.10262	1.9
171.11644	4.2
173.13200	4.0
175.14824	2.7
181.10143	2.0
183.11671	2.7
185.13234	8.6
189.11156	8.0
203.14378	7.0
219.17455	7.3
227.12701	13.8
239.17735	2.5
257.18927	7.1
275.20032	22.9
331.22479	3.6
335.25757	54.3
349.23639	29.8
351.25601	2.9
483.87228	1.8
505.35080	4.1
555.40369	2.9
609.45062	100.0
627.45990	23.7
986.56506	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6035
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	7.1
69.07053	26.4
69.33601	0.8
71.04971	4.3
71.08543	0.8
73.02892	2.8
77.03941	1.0
78.17115	0.7
79.05471	80.4
81.03399	12.8
81.07034	100.0
83.04955	9.4
83.08589	15.7
85.02887	15.6
85.06518	4.3
87.48138	0.7
91.03946	5.6
91.05455	66.3
93.07017	92.2
95.04944	16.3
95.08580	69.0
97.02872	11.2
97.06510	12.2
97.10155	8.3
99.04423	3.5
99.08064	1.7
103.05444	1.3
105.04524	1.6
105.07005	46.7
107.04926	6.0
107.08573	53.5
109.02871	3.3
109.06509	8.5
109.10139	41.0
111.08061	5.0
115.05430	3.0
117.07005	21.2
117.07773	1.5
119.08554	40.6
119.09394	1.6
121.06506	3.7
121.10115	32.6
123.08048	5.3
123.11674	7.6
125.09606	6.4
127.03916	5.3
127.93824	0.8
128.06204	1.7
129.05515	0.9
129.06967	7.8
130.07774	1.6
131.08533	33.3
133.06442	1.6
133.10107	24.2
135.08025	3.5
135.11664	21.0
137.09602	4.7
137.13205	0.7
141.06961	1.6
142.07793	1.6
143.08528	10.4
145.04890	1.0
145.06508	1.3
145.10107	25.6
147.11671	15.8
149.09584	6.6
149.13248	10.4
151.11124	1.4
155.08533	4.0
157.10098	8.8
159.11658	19.8
161.09613	1.3
161.13275	6.9
163.11157	4.8
163.14783	3.2
165.12650	1.2
167.14117	1.0
169.10106	3.2
171.11589	7.2
173.04401	1.3
173.11687	5.0
173.13243	10.5
175.14824	1.7
177.12805	1.9
181.10162	1.2
181.12358	0.8
183.11681	3.7
185.13240	4.7
187.11145	0.9
187.14789	3.6
189.11125	1.3
195.11700	1.6
197.13306	1.5
199.14795	3.1
201.16356	0.8
203.14302	1.4
211.14864	1.6
213.16408	0.9
217.15846	1.1
219.17508	1.8
227.12772	3.9
229.14258	10.9
233.15585	0.9
239.18034	2.9
243.20984	3.2
255.15782	1.2
257.18884	6.8
259.20441	1.8
261.22101	10.4
267.15829	1.2
269.17438	7.1
275.19958	17.5
283.19110	1.2
291.19528	1.6
291.22946	0.8
293.20959	1.4
309.20700	6.2
317.24823	1.6
331.22458	1.8
333.24243	1.1
335.25714	99.0
338.62607	0.9
349.23654	18.4
351.25363	1.2
367.24966	1.4
413.21786	0.9
477.37537	1.0
489.35574	17.5
507.36853	1.1
515.37323	8.5
529.38727	44.0
543.40131	4.1
569.41931	30.4
591.43469	1.3
609.44922	42.1
627.46027	11.2
651.45105	1.5
673.42883	1.3
697.26276	0.9
753.48621	1.5
771.50342	1.8
986.57245	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.604
Annotation	Unknow
Peak:m/z	Relative Intensity
68.57441	0.6
69.03426	7.2
69.07056	22.9
71.01334	0.7
71.04956	4.1
73.02890	3.9
79.05476	77.8
81.03402	11.8
81.07040	100.0
83.04532	0.8
83.04971	11.2
83.08607	13.0
85.02420	0.9
85.02893	14.6
85.06511	4.8
91.03913	4.6
91.05464	67.7
92.08994	5.4
93.07027	82.7
95.04950	16.1
95.08587	66.7
97.02886	9.0
97.06514	11.6
97.10152	4.1
99.04417	1.8
99.08104	2.5
103.03978	1.0
103.05439	1.6
105.04519	1.1
105.07017	49.8
107.04917	5.7
107.07870	1.4
107.08580	41.1
109.02885	2.6
109.06504	7.8
109.09467	1.3
109.10144	19.6
111.08057	5.1
112.18597	0.8
115.05434	1.5
117.06998	24.4
119.08562	36.6
121.06493	2.9
121.10124	31.1
123.08031	5.3
123.11676	5.9
125.09590	0.9
127.03871	4.3
128.06178	1.8
129.06978	7.6
130.07784	1.5
131.04933	0.8
131.08553	27.4
133.06499	0.9
133.10109	28.8
135.08032	4.7
135.11661	18.0
137.09563	3.3
141.06978	1.7
142.07697	0.8
143.08562	8.5
145.06471	1.4
145.10114	20.2
145.13539	0.8
147.08051	2.8
147.11661	13.0
149.09583	6.4
149.13240	11.4
151.11159	1.8
155.08533	3.0
157.10138	8.4
159.11636	15.9
161.13190	7.1
163.11163	4.7
163.14819	1.8
165.12791	0.9
169.10085	3.6
171.11641	4.9
173.04407	1.3
173.13196	8.8
175.11194	1.2
175.14766	1.1
177.12694	3.7
181.10139	1.6
183.11574	3.1
185.13228	6.3
187.14758	4.4
189.16330	1.5
195.13713	2.9
197.13231	2.9
199.14896	2.5
201.16364	1.0
203.14233	1.1
205.15837	1.0
217.15948	1.0
219.17331	2.7
235.16963	1.7
243.20941	1.5
247.20596	1.0
255.15823	3.0
257.18951	6.7
259.20517	1.3
261.22021	6.7
267.15677	1.2
269.17395	17.6
275.19995	16.0
283.19122	1.2
293.20859	1.5
309.20654	10.1
317.24625	1.5
331.22473	1.0
333.24115	1.8
335.25745	76.3
349.23633	17.7
367.24728	3.9
515.37250	11.6
529.38770	72.2
530.38531	0.9
543.40216	1.6
545.38220	1.0
547.39484	1.4
551.40326	0.8
569.41895	38.4
609.35376	1.3
609.45068	32.9
627.46027	12.1
673.42896	1.4
771.49854	1.0
882.48370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6027
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	6.6
69.07063	25.2
71.04964	3.6
73.02871	4.0
73.68787	2.4
75.69462	2.5
79.05474	83.1
81.03412	5.8
81.07039	100.0
83.04961	16.7
83.08606	14.1
85.02901	23.5
85.06540	3.2
91.03932	11.1
91.05465	87.2
92.08890	11.4
93.07028	88.1
95.04971	25.9
95.08585	56.3
97.02866	13.8
97.06546	4.8
105.07015	69.1
107.08583	56.8
109.06508	11.1
109.10173	33.5
114.37297	3.1
117.07013	25.8
119.08561	56.2
121.10146	29.1
123.11627	3.2
127.03879	4.0
129.07008	10.6
131.08545	40.3
133.10120	49.6
135.08034	3.5
135.11668	19.5
137.09563	3.6
140.43263	2.9
140.68036	2.9
143.08563	17.1
145.10133	20.8
147.11621	19.6
149.09650	4.1
149.13258	11.3
151.11131	5.4
157.10124	5.6
159.11641	26.6
161.13258	13.3
169.10086	3.8
171.11664	11.7
173.13190	6.9
183.11751	3.4
185.13191	11.1
199.14833	3.9
241.19463	4.3
253.14143	4.4
259.20496	25.1
261.22110	6.6
269.17471	3.2
275.19922	4.4
319.07260	3.1
333.24161	14.1
335.25729	56.5
336.26273	4.7
349.23657	3.9
366.23972	3.3
529.38690	12.8
569.41510	12.4
593.45264	4.6
609.44891	6.5
611.46442	37.2
625.45178	3.8
626.44812	15.3
627.44720	12.8
1005.82202	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	984.5881
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07062	16.8
71.05002	3.3
79.05484	56.2
81.07040	79.3
83.04955	5.6
83.08590	5.9
85.02915	4.8
85.06543	6.8
91.05463	56.9
92.08892	8.4
93.07030	68.5
95.04951	15.4
95.08580	37.2
105.07028	52.7
107.04914	3.2
107.08604	46.6
109.06504	6.2
109.10142	48.3
117.07037	4.2
117.79861	3.1
118.08405	3.4
119.08571	20.4
121.06492	14.9
121.10155	16.9
123.11722	7.9
127.33894	3.7
131.08565	21.8
133.06439	4.6
133.10123	65.0
135.07956	4.2
135.11690	8.1
145.10097	12.6
149.09639	4.2
151.11189	20.4
155.08542	3.7
159.11713	6.8
198.83228	3.8
246.00127	3.4
253.14363	56.7
261.22260	5.8
263.20059	3.9
273.18597	13.9
279.40723	3.7
291.19492	22.9
335.25793	35.3
347.22083	4.9
365.23166	22.5
513.35687	7.5
531.36597	8.0
625.44507	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	984.5881
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	10.6
69.07053	28.5
71.04967	1.4
73.02892	1.3
79.05474	48.3
81.03401	7.3
81.07037	48.7
82.36618	0.8
83.04955	4.2
83.08601	11.9
85.02886	7.0
85.06530	1.0
91.03910	1.7
91.05457	26.5
92.08757	1.6
92.09269	1.3
93.07021	38.5
95.04935	11.2
95.08584	31.8
97.02871	16.7
97.06513	3.6
97.10138	13.8
105.07005	23.3
107.04924	8.7
107.08572	26.3
109.06503	4.3
109.10133	16.4
111.08062	1.5
117.07021	9.7
119.08550	16.4
121.06502	3.5
121.10125	13.2
123.08062	1.5
123.11665	3.3
125.09609	11.9
127.03886	1.2
129.06973	6.0
131.08536	12.9
133.06454	3.9
133.10133	6.6
135.08032	3.4
135.11681	7.1
137.09543	0.9
139.40768	0.8
143.08516	4.8
145.06470	1.1
145.10106	10.1
147.08047	7.5
147.11664	5.4
149.09647	1.2
149.13240	6.0
157.10143	3.9
159.11618	7.1
159.33189	1.0
161.09610	2.2
161.13219	1.9
169.10054	1.1
171.11664	2.1
173.13181	2.0
175.11147	3.3
189.11212	1.7
193.12215	1.4
205.12340	1.1
211.13156	1.1
223.13266	20.9
227.12804	4.4
243.21057	1.4
249.14717	2.0
261.22113	7.3
273.18439	12.6
291.19473	100.0
292.20206	0.9
317.24768	2.0
335.25763	56.7
347.22144	1.8
365.23160	57.5
380.27463	1.1
489.44449	0.9
545.37933	4.7
607.44025	2.9
625.44513	95.9
626.44556	1.1
643.45288	1.2
733.09485	1.3
947.44818	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5878
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	6.3
69.07055	23.7
71.04967	1.5
73.02903	0.8
76.56706	0.7
79.05476	41.3
79.65854	0.6
81.03397	5.7
81.07036	46.5
83.04946	4.7
83.08605	8.9
85.02882	5.3
85.06538	1.4
91.03935	2.7
91.05457	28.4
92.08788	1.5
92.64628	0.6
93.07020	38.6
95.01303	0.6
95.04941	10.4
95.08580	33.2
95.82255	0.7
97.02875	9.8
97.06522	4.0
97.10148	11.3
105.07016	21.0
107.04942	6.0
107.08575	21.2
109.06538	3.3
109.10146	15.9
111.08066	1.2
117.06989	11.9
118.27479	0.6
119.04951	1.3
119.08558	17.1
121.06505	3.0
121.10117	13.5
123.08070	3.7
123.11709	2.5
125.09596	7.8
128.06198	1.0
129.06973	3.4
131.08539	11.2
133.06462	2.6
133.10117	8.2
135.08046	2.7
135.11688	8.7
137.09633	2.6
137.13226	0.8
137.42656	0.7
143.08578	4.0
145.10063	8.0
147.08012	3.8
147.11647	4.7
149.09593	0.8
149.13235	4.0
151.23839	0.8
157.10126	3.2
159.11653	5.3
161.09584	3.1
161.13258	3.3
163.11176	1.3
163.14844	1.1
165.09090	0.9
169.10014	0.8
171.11736	1.2
173.13216	1.3
175.11151	0.8
175.14873	0.9
177.12700	1.1
185.13313	0.9
187.14755	1.3
189.11201	1.1
193.12247	0.8
195.13647	1.0
199.11235	0.8
205.12215	1.3
206.66493	0.9
223.13257	19.9
227.12785	1.3
243.21074	1.5
249.14772	3.4
261.22165	6.2
273.18481	8.6
291.19479	77.3
317.24536	0.9
335.25723	51.6
347.22446	2.4
365.23126	30.8
399.53122	0.7
459.27460	0.9
527.37390	1.4
545.38202	4.4
567.39941	1.0
607.43634	1.4
625.44537	100.0
626.44653	3.0
643.45416	0.9
752.65417	0.7
1016.03186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	2.7
69.07040	7.8
70.89625	1.2
71.08613	21.8
71.61713	1.3
73.02901	1.6
74.45532	1.2
75.25665	1.0
79.05473	13.5
81.03374	3.2
81.07035	28.3
83.04949	3.2
83.08607	16.8
85.02895	16.9
85.10155	15.6
87.92135	1.2
89.06001	1.5
89.42055	1.2
89.81142	1.2
91.03951	4.3
91.05476	17.7
93.07026	15.0
95.04940	5.8
95.08587	23.4
97.02863	8.7
97.10137	4.8
98.40170	1.3
105.07000	15.6
107.04938	2.5
107.08580	7.0
109.02872	7.1
109.06523	1.8
109.10138	10.1
111.04445	2.4
111.08053	1.4
113.02341	16.4
117.06981	5.7
117.42822	1.5
119.04959	1.2
119.08541	10.0
121.06516	11.3
121.10127	7.9
123.04363	1.7
123.11645	4.7
123.81044	1.4
125.02321	2.8
127.03906	2.4
128.06247	1.4
129.07011	1.7
131.08536	3.2
133.06491	2.4
133.10123	19.8
135.08087	1.5
135.11693	2.3
137.02338	2.8
137.09619	2.1
137.13246	1.6
139.03804	2.7
141.01843	2.2
143.03387	1.8
143.08551	11.1
145.06421	1.4
145.10138	5.7
149.09634	1.8
151.11157	7.4
161.09595	28.5
163.11147	2.0
171.07990	2.9
179.10603	10.6
189.09102	20.1
193.12288	1.5
207.10141	8.1
217.08560	7.8
221.11728	2.2
223.74744	1.4
235.09590	13.1
249.11165	2.6
252.41241	1.4
253.10606	2.0
257.24542	5.0
273.18460	1.5
280.02841	1.5
281.10248	2.2
296.10419	1.5
301.62830	1.5
313.27313	100.0
335.25589	3.2
369.15344	95.4
387.16409	25.5
589.37354	1.5
600.58191	1.7
607.37982	66.6
625.38940	11.8
776.06586	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.6301
Annotation	Unknow
Peak:m/z	Relative Intensity
68.37936	1.9
69.03421	3.7
69.07050	23.8
71.08613	25.6
76.19213	1.8
78.37010	2.0
79.05471	32.6
81.06593	3.8
81.07040	59.7
81.07481	3.7
83.04987	4.1
83.08614	24.7
83.60824	2.1
85.02889	9.7
85.06516	2.6
85.10206	16.3
91.03944	3.3
91.05473	29.9
92.09151	2.7
93.07021	28.2
95.04948	4.8
95.08590	39.4
96.97453	1.9
97.02853	2.4
97.06520	8.1
97.10143	13.6
105.07023	24.8
107.04938	3.5
107.08598	24.9
109.06544	3.6
109.10154	58.0
111.08083	2.3
117.06988	8.8
119.08572	37.6
121.10171	14.5
123.11700	8.1
125.09616	10.1
131.08557	13.3
133.10103	13.7
135.07997	3.1
135.11664	3.5
137.09595	3.5
145.10155	8.1
147.11740	7.6
149.09622	3.2
149.13239	8.3
159.08043	4.9
159.11696	9.3
163.11179	4.6
164.64528	1.9
171.11613	2.7
173.11761	13.1
173.13130	2.7
189.11234	2.4
213.65182	2.0
227.12772	12.2
229.14334	27.5
231.36928	2.2
239.23875	3.0
257.19016	3.7
269.17340	16.6
275.19962	19.2
313.27328	100.0
335.25641	4.2
349.23676	21.8
367.24866	14.6
410.60403	2.3
433.84970	2.5
443.16394	2.4
467.37268	37.5
469.91061	2.2
477.41110	2.3
501.72354	2.3
507.40433	60.3
547.43658	3.5
587.46600	45.1
605.47809	27.2
623.42584	8.6
920.03705	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	977.7069
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03406	2.9
69.07050	15.5
71.04960	1.6
79.05476	17.4
81.07040	55.2
83.04952	1.6
83.08601	8.5
91.05451	25.2
92.08863	5.5
93.07020	46.5
95.04958	2.8
95.08582	78.2
97.06498	8.2
97.10162	2.8
105.07013	68.9
107.08582	100.0
109.06493	6.4
109.10146	51.3
111.08048	9.3
117.06996	7.7
119.08559	69.3
121.06434	1.8
121.10126	61.0
123.08022	5.5
123.11688	19.4
125.09602	14.8
131.08545	39.1
133.10109	70.1
135.08049	2.9
135.11670	38.0
137.09592	5.5
137.13174	2.9
143.08565	12.6
144.09268	1.9
145.10112	48.8
147.11673	46.1
149.09572	7.9
149.13242	24.1
151.07547	1.6
151.11148	3.1
153.09207	1.5
157.10072	15.8
157.44177	1.4
158.10852	1.6
159.11670	42.5
161.09572	3.0
161.13222	31.4
163.11169	2.8
163.14790	28.7
165.16370	1.5
167.10616	2.7
169.10100	2.2
169.47942	1.5
171.11644	10.7
173.09537	1.4
173.13225	43.4
175.11185	5.1
175.14793	54.0
177.12733	2.6
177.16376	27.8
183.11630	1.6
185.13239	12.2
187.14795	59.2
189.16347	42.0
191.14301	33.0
191.17976	8.5
193.15848	8.1
199.14761	18.1
201.16338	46.9
203.14261	10.4
203.17928	86.9
205.15855	13.8
205.19502	2.3
207.17395	1.7
211.14789	3.1
213.16331	18.4
214.17137	1.6
215.17900	21.4
217.15814	5.7
217.19470	2.3
219.17403	7.8
221.15337	24.2
225.16331	2.7
227.17952	5.4
229.19366	5.4
231.17404	2.4
239.17979	2.7
241.19464	3.3
243.21164	2.1
247.16812	2.3
249.18422	8.5
255.20964	2.5
259.16898	2.0
261.18433	5.1
271.24149	1.4
281.22693	2.7
332.71808	1.5
341.24765	2.5
389.31854	10.5
407.33051	50.7
409.34521	2.1
423.32434	6.5
425.34045	66.5
435.32599	18.4
443.34891	6.3
453.33621	41.9
471.34625	80.3
489.35641	73.4
638.88483	1.6
756.59851	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.7063
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07056	9.8
79.05466	11.1
81.07035	25.9
83.04969	1.2
83.08606	5.9
84.68532	0.7
91.05449	12.2
92.08926	1.4
93.07016	28.1
95.04940	4.4
95.08581	58.0
97.06513	1.6
97.10155	3.5
101.62496	0.7
105.07010	39.6
107.04932	0.8
107.08571	66.6
109.06505	4.2
109.10138	32.2
109.10857	1.5
109.77789	0.7
110.13940	0.6
111.08047	3.9
115.05499	0.6
117.06989	4.3
119.08553	54.7
120.08863	0.6
121.06476	3.3
121.10116	38.6
123.08048	4.0
123.11673	7.8
125.09604	7.2
129.06956	0.9
131.08534	30.3
133.10106	45.3
135.08028	1.6
135.11662	20.4
137.09579	4.2
142.07767	1.4
143.08536	9.2
144.09315	1.0
145.10104	35.7
147.08057	2.6
147.11664	30.2
149.09586	3.9
149.13237	14.2
151.11110	1.1
153.09061	4.8
156.09305	1.1
157.10117	12.2
158.10855	1.5
159.11665	29.6
161.09561	5.4
161.13223	27.6
163.11160	3.4
163.14786	19.9
165.09126	1.1
165.12708	1.2
167.10640	2.8
169.10062	0.9
170.10904	3.9
171.11664	7.4
172.12370	1.2
173.09563	0.8
173.13216	42.3
175.11130	3.1
175.14783	29.9
177.08974	1.0
177.12730	1.4
177.16342	16.5
179.10724	0.9
183.11674	1.4
185.13225	11.8
187.14781	37.7
189.12695	1.5
189.16331	27.8
191.14268	100.0
191.17841	10.5
193.12296	1.3
193.15875	4.3
195.11711	1.0
197.13239	1.5
198.14105	0.8
199.14777	8.8
201.16335	22.6
203.14316	15.2
203.17915	58.2
205.15857	15.4
205.19498	9.2
211.14774	3.2
213.16374	12.0
215.17902	10.2
217.15791	3.1
217.19452	3.1
219.17442	4.3
221.15318	39.2
221.18739	1.2
223.16867	3.1
227.17963	1.5
229.15860	2.9
229.19479	3.0
231.17387	3.0
231.21083	3.2
233.15335	1.0
235.16901	3.2
239.17978	1.0
241.19450	3.7
243.17404	1.4
247.16866	4.5
249.18423	23.3
253.19368	0.8
255.20844	1.0
261.18378	3.8
265.19489	1.2
267.21140	1.1
281.22552	1.2
293.22568	1.6
295.23996	1.0
310.55444	0.9
311.23648	5.4
329.24530	2.5
341.24557	1.2
377.31912	2.4
389.32025	7.9
395.32910	4.2
407.33014	23.8
423.32175	3.3
425.34015	41.9
426.34473	1.0
435.32516	15.0
443.35013	4.7
453.33514	50.6
471.34634	29.8
487.33878	1.0
489.35260	3.1
901.21521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.7066
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	0.6
69.07054	10.0
79.05473	8.3
81.03402	0.5
81.07034	27.4
83.04957	1.0
83.08598	6.7
91.05459	11.3
93.07019	25.0
94.42810	0.5
95.04941	4.0
95.08581	47.5
96.73502	0.6
97.06504	3.0
97.10143	3.4
103.05490	0.5
105.07011	41.5
107.08572	46.2
109.06469	4.2
109.09384	0.9
109.10136	28.0
110.09237	0.5
111.08082	1.3
117.07000	3.8
119.08554	45.7
121.06461	3.8
121.10117	30.7
123.08028	2.2
123.11677	8.2
125.09615	2.8
129.07010	2.3
130.07808	1.0
131.08531	22.3
133.10103	40.0
135.08017	3.3
135.11664	16.2
137.09560	3.6
137.13191	1.1
142.07726	0.8
143.08524	5.6
144.09395	2.0
145.10098	31.9
147.08041	2.0
147.11668	28.1
147.12869	0.6
149.09599	4.2
149.13232	19.1
151.11179	1.2
153.09073	2.4
156.09363	0.8
157.10092	8.1
158.10893	1.3
159.11661	20.9
161.09616	4.5
161.13216	24.6
161.14545	1.0
163.11151	4.6
163.14784	26.7
167.10652	2.1
169.10007	1.0
170.10886	1.2
171.11642	5.0
172.12421	0.6
173.13206	33.3
174.13921	0.9
175.11226	3.8
175.14783	35.3
177.12714	2.7
177.16336	18.7
183.11636	1.2
184.12572	0.6
185.13217	7.4
187.14771	34.5
189.12708	2.4
189.16341	29.0
191.14267	36.4
191.17914	9.6
193.12244	3.2
193.15810	1.1
197.13200	0.8
199.14769	8.1
201.16350	21.4
203.14351	10.7
203.17914	100.0
205.15852	11.2
205.19493	3.2
209.13277	0.7
211.14836	1.0
213.16370	9.6
215.17894	7.0
217.15910	4.1
217.19540	3.4
219.17409	3.4
221.15317	15.0
221.18939	1.3
223.16721	1.6
225.16258	0.9
227.17905	2.9
229.15840	0.9
229.19487	3.1
231.17439	2.4
231.21013	3.7
235.16876	2.6
236.90959	0.6
239.16306	2.5
241.19501	2.1
243.17332	0.8
243.20979	0.7
247.16885	3.7
247.20363	0.8
249.18408	14.9
253.19496	1.0
257.36438	0.6
261.18442	1.1
267.21078	0.8
281.22531	0.6
333.26016	0.6
343.26434	0.6
377.31876	3.5
389.31943	5.6
395.33005	3.5
407.32986	20.7
409.34686	1.0
423.32504	3.6
425.34027	68.0
435.32486	12.5
441.33249	1.2
443.35059	9.6
453.33539	30.2
471.34598	38.6
571.64886	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	4.3
73.02892	2.0
79.05466	1.8
81.07050	3.9
85.02908	4.9
91.03967	1.6
91.05453	1.2
92.09165	8.0
92.86160	1.0
93.07038	1.5
95.04961	1.0
95.08582	1.3
97.02878	6.0
100.01659	0.8
107.08631	1.1
114.23048	0.9
115.14030	0.9
116.49177	1.0
119.08571	1.1
129.37299	0.9
131.08636	0.8
150.21495	0.9
150.86713	0.9
150.91435	0.8
158.50052	1.0
168.61316	0.9
185.04330	1.2
185.14662	0.9
243.08537	1.3
254.19487	0.9
278.90509	1.0
298.45636	1.0
347.09479	2.0
356.21362	0.9
365.10944	1.1
405.13629	7.9
468.02219	1.0
519.29242	3.7
535.29102	5.7
678.18213	1.1
681.34381	3.9
693.04498	1.1
697.34381	4.9
813.51489	1.1
887.18689	1.4
975.56281	100.0
976.57532	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	975.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	3.8
73.02881	1.2
79.05493	3.1
81.03397	1.2
81.07055	3.7
85.02911	5.2
91.03950	3.4
91.05467	3.1
93.07041	3.5
95.08600	1.5
96.78612	0.8
97.02893	3.9
101.02370	1.2
102.92625	0.7
105.07001	1.0
109.10172	1.0
111.72648	0.7
119.08562	1.2
121.10075	0.8
129.34601	0.8
141.02425	0.9
154.94244	0.8
168.55280	0.8
258.39038	0.9
262.98270	0.9
320.20685	0.8
335.25888	0.9
341.07294	0.9
347.09470	3.3
404.15417	0.9
405.13843	4.8
470.47940	0.9
519.29626	6.1
535.28760	4.9
681.34174	6.9
697.34241	4.5
810.23279	1.2
813.50354	1.5
833.57843	1.0
942.78326	1.0
975.56165	100.0
976.56781	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5647
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	1.7
73.02908	1.8
79.05471	2.4
81.03420	1.2
81.07032	2.0
85.02917	4.6
91.03961	1.6
91.05492	2.4
92.08997	1.5
92.64109	1.2
93.07000	3.7
93.97045	1.0
95.08604	1.2
97.02876	4.7
98.77680	1.0
101.02368	1.2
105.07040	2.1
129.25919	1.0
135.60986	1.0
347.09482	1.3
351.19022	1.4
405.13922	6.4
415.08011	1.2
426.24866	1.1
464.22418	1.2
467.69559	1.1
519.29535	4.3
535.29089	2.0
681.34711	7.3
813.51447	1.2
975.56360	100.0
976.57294	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	974.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	7.3
69.07051	8.9
71.04980	4.1
79.05473	8.1
81.03391	2.5
81.07034	17.5
83.04963	18.7
83.08598	13.2
85.02884	19.0
85.06535	4.4
91.05456	7.1
93.07017	21.9
95.04945	34.1
95.08581	14.0
97.02879	5.6
97.06506	17.2
97.10127	1.2
99.04424	9.4
99.08068	2.7
105.07013	20.7
107.08579	42.1
109.02842	0.8
109.06503	33.7
109.10139	34.5
111.08048	7.2
113.09630	2.7
115.07545	8.5
117.06970	2.2
119.08562	18.6
121.10117	45.4
123.08064	5.1
123.11670	8.7
125.09608	6.9
127.03896	3.3
127.07575	0.7
131.08531	18.0
133.10100	61.0
135.08029	9.9
135.11668	18.8
137.09554	2.0
137.13261	0.7
139.11177	5.1
141.09082	1.1
143.08536	2.8
144.09296	2.1
145.04929	4.9
145.10101	10.6
147.11667	22.1
149.09677	2.0
149.12186	0.6
149.13231	18.1
151.11148	16.8
153.09081	19.0
158.10873	7.5
163.06021	0.9
163.11150	1.0
163.14761	11.4
165.12706	2.5
167.14268	15.4
171.10139	1.4
171.61243	0.7
173.13220	55.1
173.35995	0.6
175.14775	17.8
191.14270	45.1
193.15846	2.5
209.15329	100.0
227.16371	61.6
228.16490	0.7
325.11264	1.0
353.19458	2.6
371.20392	4.7
389.21570	3.0
403.12036	0.6
406.48892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	2.5
71.37739	1.1
73.02911	2.5
76.80062	1.0
79.05473	5.1
81.03419	1.2
81.07055	4.9
84.34451	1.1
85.02905	4.5
91.03932	1.4
91.05499	1.4
92.08939	1.5
93.07050	2.4
95.08598	2.0
97.02869	5.7
99.04423	1.2
107.08604	2.4
109.10184	1.4
110.52196	1.0
121.10152	1.2
135.24342	1.1
181.83733	1.1
284.43671	1.1
315.19302	2.7
347.09549	1.3
405.13858	6.2
519.29486	6.5
533.27405	6.4
681.34442	7.4
695.32758	1.6
814.27875	1.5
973.54620	100.0
974.55530	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	2.7
70.15081	1.1
73.02918	2.6
79.05480	5.3
81.03412	1.0
81.07037	1.7
83.08563	1.1
85.02924	4.0
91.03939	2.0
91.05437	1.0
93.07025	2.3
95.08598	2.0
97.02903	5.2
107.08615	1.6
131.61603	1.3
153.30199	1.2
201.17973	1.1
216.87173	1.1
243.08559	1.4
258.47235	1.3
347.09326	1.8
405.13995	6.9
475.16833	1.4
519.29205	6.8
533.27246	6.0
681.33716	8.3
695.32581	2.3
973.54608	100.0
974.54230	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	970.6162
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	6.9
69.07040	32.5
71.04974	5.5
73.02911	8.5
79.05476	81.3
81.07040	90.1
82.07832	3.8
83.04951	7.7
83.08596	18.5
85.02895	26.7
91.03952	14.8
91.05463	67.5
92.08747	23.9
93.07025	97.6
95.04945	8.7
95.08591	69.5
95.93159	4.1
97.02857	18.0
97.06506	10.1
97.10155	6.5
99.04460	5.0
105.07007	62.7
107.08588	50.3
109.10118	43.5
115.05222	4.2
117.06998	10.3
119.08541	44.3
121.10146	40.3
129.06963	5.2
131.08546	31.1
133.10132	28.8
135.11690	26.2
137.09686	4.3
143.08542	6.4
145.10130	26.1
147.11685	22.9
149.13257	6.8
151.10982	4.5
157.10127	6.3
159.11691	7.6
161.13177	8.0
173.13213	9.2
175.14772	5.4
185.13269	6.1
216.97273	4.9
259.20468	22.0
277.21603	23.6
333.24084	7.0
335.25705	88.4
351.25412	40.0
388.14099	5.5
388.76175	5.1
611.46521	85.0
715.83612	4.7
745.79169	4.8
969.57001	40.9
970.57483	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	973.5286
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05831	0.9
69.07056	0.9
79.05476	5.1
80.05798	0.7
81.07032	6.5
83.08626	0.8
88.46192	0.6
91.03943	0.8
91.05454	5.1
92.05816	1.0
92.08983	5.2
93.07020	6.7
94.07388	1.2
95.04943	0.8
95.08609	4.5
96.08910	0.8
96.35429	0.6
103.05415	0.6
105.07035	5.4
107.08589	3.7
108.08931	1.1
109.10201	0.8
117.06993	1.0
119.08544	4.4
120.08887	1.0
121.10117	1.4
129.06973	0.7
131.08534	2.8
133.10126	2.7
145.10143	1.1
147.11668	1.3
148.12076	0.7
157.10074	1.2
159.11665	0.6
161.13341	0.7
162.13618	0.6
175.14880	0.6
259.20517	0.7
260.20862	1.1
267.79248	0.6
334.24796	0.9
335.25446	1.0
336.26263	1.0
490.75104	0.6
612.46423	2.8
613.46857	2.7
614.47375	0.7
643.25165	100.0
644.25031	2.9
815.23041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	2.5
69.07056	1.3
69.41914	0.9
71.45782	0.9
73.02906	2.2
79.04189	1.0
79.05486	1.4
81.07035	4.6
85.02888	8.0
91.03955	2.1
91.05493	1.8
92.08902	4.8
93.07021	1.7
97.02900	6.1
101.02340	1.6
105.07041	1.7
107.08605	1.2
107.68414	1.1
127.03921	1.4
136.57025	1.0
243.08447	2.3
315.19278	1.8
347.09677	1.3
375.50378	1.2
382.84183	1.1
405.13513	7.5
519.29254	6.1
533.27173	5.9
681.34583	9.3
695.32239	1.3
973.54724	100.0
974.55292	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6104
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03409	4.2
69.07050	21.5
71.04964	3.9
73.02901	2.4
79.05468	86.7
80.12112	1.7
81.03359	2.5
81.07035	89.9
83.04999	3.2
83.08587	9.7
85.02885	16.1
91.03931	10.7
91.05457	58.4
92.24774	1.7
93.07019	95.5
95.04943	14.0
95.08007	3.6
95.08585	74.6
97.02876	10.1
97.06510	8.6
97.10134	2.3
99.08065	2.3
105.07012	53.0
105.68802	1.8
107.08581	53.4
109.06504	3.7
109.10143	20.5
111.08064	2.9
117.07025	20.1
119.08556	33.9
121.10115	33.3
123.07992	2.3
123.11705	3.3
125.00191	1.9
127.03836	2.7
129.06967	3.5
131.08545	30.5
133.10106	29.3
135.08025	3.4
135.11687	23.7
137.09518	2.2
143.08522	10.6
145.10114	24.2
147.11639	14.8
149.13246	8.8
157.10110	9.0
159.11632	16.1
161.13248	11.0
163.14754	2.4
169.10135	2.4
171.11681	3.0
173.13214	4.9
175.11096	2.4
183.11632	2.2
185.13252	4.6
187.14848	9.3
241.19528	4.8
255.23544	1.9
259.20554	21.1
261.22186	3.8
277.21509	11.5
297.92719	2.1
333.24188	16.0
335.25735	100.0
335.29825	3.8
351.25317	33.7
529.38965	2.1
593.45050	2.3
611.46533	77.1
755.50323	2.6
969.56671	12.4
970.57416	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6088
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07061	20.9
73.02924	4.4
79.05476	91.8
79.05901	5.1
81.07044	82.1
82.37966	3.7
83.08633	5.0
85.02882	19.2
89.08687	3.1
91.03948	13.6
91.05460	77.8
92.08688	5.2
92.09194	6.9
93.07028	100.0
95.04955	16.1
95.08587	71.7
97.02866	6.4
97.06500	4.7
105.07017	81.2
107.08578	46.1
109.10118	27.8
110.32538	3.5
115.05474	3.4
117.06999	26.5
119.08556	58.2
121.10124	40.4
123.11731	4.9
129.06967	12.6
131.08539	34.6
133.10112	45.6
135.11661	25.6
143.08557	17.7
145.10072	25.1
147.11679	32.5
149.13261	4.3
157.10139	12.7
159.11703	24.3
161.13235	22.9
162.61885	3.8
169.10191	3.6
171.11662	13.8
173.13251	17.3
175.14795	7.7
185.13194	6.3
187.14798	5.6
199.14806	5.4
241.19507	14.0
257.19000	4.1
259.20505	43.4
259.46912	3.6
332.58609	3.7
333.24005	36.5
335.25681	59.6
340.28680	3.8
383.84644	3.8
593.45239	4.9
611.46674	71.7
719.46936	4.3
731.86633	3.7
958.20532	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	970.6083
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03409	5.2
69.07054	23.7
71.04974	3.4
73.02892	5.3
77.03907	1.5
78.27351	0.7
79.05470	79.8
81.03394	3.1
81.07034	78.5
82.43964	0.6
83.04963	3.7
83.08601	9.4
85.02883	17.7
85.06525	4.1
91.03927	12.5
91.05457	85.2
91.63979	0.8
92.08575	2.1
92.09219	6.3
93.07018	100.0
95.04939	12.2
95.08580	60.2
95.09207	1.8
96.04521	0.8
97.02858	11.1
97.06499	3.2
97.10149	3.8
99.04443	1.1
99.08062	3.1
103.05437	3.1
105.04463	1.1
105.07008	83.3
106.07285	0.9
107.04927	3.1
107.08570	47.3
107.09299	1.8
109.06506	3.7
109.10136	22.2
111.08072	1.4
115.03819	1.0
115.05405	3.3
116.06193	1.5
117.06989	27.8
117.07753	1.5
119.06075	0.9
119.08554	66.6
121.06427	0.9
121.10114	35.7
123.08040	3.2
123.11687	6.4
125.09562	1.1
127.03886	3.4
127.99455	0.8
128.06204	3.6
129.05424	1.1
129.06987	14.1
130.07727	1.5
131.08539	39.3
133.10097	54.9
134.81474	0.8
135.08012	1.6
135.11661	23.4
137.09581	1.5
141.06947	2.8
142.07805	1.8
143.08521	16.6
144.09398	1.2
145.04942	4.0
145.10098	29.8
147.08022	0.7
147.11658	31.7
149.09601	3.2
149.13260	12.0
151.11162	0.8
155.08543	4.0
157.10095	13.4
159.11647	23.1
161.09581	1.3
161.13239	19.1
163.06013	5.3
163.11185	1.2
163.14789	1.6
169.10104	2.8
171.11635	14.8
173.13173	16.9
175.11227	1.0
175.14784	7.3
177.16336	1.2
181.10123	1.2
182.10880	0.9
183.11644	5.4
185.13219	12.9
187.14828	4.4
189.12868	1.0
189.16353	1.1
191.14323	1.0
195.11678	1.8
197.13182	3.1
199.14758	6.3
201.16351	1.0
213.16345	3.1
213.18143	0.8
215.17801	1.2
217.19417	1.1
225.16458	0.8
231.21037	3.9
237.16360	0.7
239.17844	0.9
241.19513	12.2
243.21007	1.8
257.18988	5.7
259.20505	48.2
261.22083	7.3
275.20142	1.2
277.21606	1.1
303.23077	0.9
313.21790	1.0
315.23172	3.4
317.24597	1.1
331.22375	1.5
333.24170	30.4
335.25708	46.6
337.27319	4.9
351.25677	1.0
367.22491	1.1
367.52417	0.9
385.23456	2.9
403.24850	1.1
501.35452	1.0
519.41467	5.2
537.42834	3.4
541.38739	1.0
593.45587	15.9
611.46558	93.3
612.46637	4.0
623.46002	1.2
635.45569	1.2
701.46948	3.4
719.48627	3.3
737.49695	1.5
755.50763	4.3
907.56055	0.9
970.56183	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5741
Annotation	Unknow
Peak:m/z	Relative Intensity
90.71339	0.9
92.09093	8.3
95.08569	1.6
97.02857	1.4
103.63397	0.8
109.02873	1.1
114.46156	0.9
162.88104	1.0
174.02867	0.9
287.07343	9.5
308.14233	1.2
364.31781	1.1
377.56445	1.0
565.44427	6.7
667.30475	1.1
811.51807	7.5
964.11731	1.1
969.57336	100.0
970.57068	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5748
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	2.9
69.03429	4.0
69.07053	1.0
73.02911	2.1
79.05481	2.3
81.03410	1.3
81.07027	4.2
83.04963	0.6
83.08602	0.5
85.02890	5.2
91.03966	3.4
91.05494	2.4
92.08799	1.6
92.09301	0.9
93.07055	2.6
95.05006	0.8
95.08601	2.7
97.02887	4.9
99.04430	0.9
99.18488	0.6
101.02372	1.1
105.07022	1.0
107.08598	1.2
109.10196	1.4
121.10128	1.0
127.03931	1.3
131.08588	0.7
135.11708	0.8
182.72838	0.6
202.57475	0.6
203.05109	0.7
223.72699	0.5
243.08475	1.2
333.20465	1.3
347.09549	1.3
376.62396	0.6
405.13559	7.8
427.19489	0.7
453.20944	2.2
465.21677	0.8
497.30429	4.4
551.28430	5.2
601.24683	0.7
659.35718	4.9
713.33569	5.1
807.52466	2.6
969.57379	100.0
970.58307	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	968.5932
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05142	1.2
67.05489	30.4
69.07056	11.1
71.04950	0.6
78.49734	0.5
79.05473	32.0
81.03391	1.3
81.07038	43.7
83.04961	2.7
83.08601	6.0
84.26344	0.5
85.02888	1.2
85.06532	2.6
85.83521	0.6
91.05463	32.0
92.09013	4.1
93.07021	33.8
95.01298	0.9
95.04948	3.8
95.08586	30.2
97.02856	0.7
97.06533	4.5
97.10125	1.2
99.04429	0.8
105.07013	27.9
107.04952	5.5
107.08575	16.7
109.06508	6.5
109.10143	10.5
109.80373	0.5
111.08080	1.1
117.07015	9.3
119.08566	19.1
121.06499	1.3
121.10110	12.4
123.08045	3.2
123.11687	2.5
125.07173	0.7
129.06998	2.3
131.08536	16.2
133.10095	15.9
134.50896	0.7
135.08017	1.1
135.11661	6.9
137.09570	1.4
141.07033	0.7
143.08626	1.3
145.10097	10.0
147.11652	6.8
149.09608	2.8
149.13222	3.1
151.11214	0.7
153.96466	0.6
157.10147	1.2
159.11636	7.0
161.13232	2.5
169.10063	0.9
170.89748	0.6
173.13225	1.4
175.14844	0.9
179.14281	2.6
185.13258	1.2
187.14711	0.7
201.16328	2.7
203.14268	1.2
219.17407	49.8
247.20399	0.7
257.18863	1.3
261.22250	0.8
275.20016	14.9
304.87469	0.6
335.25726	58.8
336.26065	0.8
349.23700	11.3
420.33701	0.8
609.45050	100.0
610.45337	2.7
801.65472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5744
Annotation	Unknow
Peak:m/z	Relative Intensity
68.84122	1.4
71.97842	1.6
88.22473	1.9
92.08891	11.6
103.04899	1.8
117.29588	1.7
151.56740	1.8
155.68443	2.3
189.21919	1.5
287.07489	9.8
346.49469	1.5
348.52136	1.8
492.31152	1.8
524.15088	1.8
565.44452	3.0
766.63416	1.8
811.50800	3.0
969.57367	100.0
970.58026	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	968.5931
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	31.6
69.03416	2.0
69.07046	11.5
71.04972	1.9
79.05472	49.4
81.03417	1.4
81.07037	32.0
83.04972	13.2
83.08614	4.6
85.02905	1.2
91.05454	27.1
92.64368	0.9
93.07021	35.3
95.04961	6.8
95.08572	17.4
97.06501	1.9
97.10152	4.5
100.53766	1.1
105.04507	1.3
105.07007	28.0
107.04942	13.8
107.08578	33.1
109.06493	2.0
109.10147	13.9
111.08031	1.9
115.05480	1.0
117.07012	9.6
119.08566	16.4
121.06529	1.5
121.10101	15.4
123.08060	1.2
123.11720	1.6
125.09602	6.0
129.06995	3.8
129.09077	1.1
131.08565	9.8
133.10095	14.4
135.08015	5.2
135.11684	5.1
137.09695	1.0
143.08643	1.0
145.10095	8.1
147.11656	7.7
149.09604	29.3
149.13203	1.1
155.08475	0.9
157.10156	1.7
159.11650	6.3
159.25400	0.9
161.13159	1.6
163.11206	1.5
163.14847	1.5
169.12222	1.9
171.11588	1.4
173.13213	1.9
179.77075	1.1
189.11137	1.2
200.49158	1.0
209.15286	1.4
229.19507	1.6
257.18863	2.2
275.20001	21.2
335.25687	21.6
349.23648	20.8
609.45056	100.0
610.45941	1.3
801.47992	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	65.4
69.03419	10.8
69.06715	1.8
69.07058	29.6
71.01347	1.9
71.04974	6.6
73.02892	1.9
76.41843	1.2
76.59698	1.4
79.05473	69.6
81.03400	100.0
81.07042	64.1
83.04968	16.1
83.08610	28.7
85.02892	10.2
85.06529	5.8
89.62932	1.2
91.03939	2.8
91.05458	62.1
92.08777	7.3
92.64738	1.4
93.07023	59.2
95.04951	42.7
95.08584	33.1
95.88108	1.6
97.02866	8.7
97.06517	14.0
97.10146	24.8
99.08089	2.4
105.07014	55.6
107.04951	20.7
107.08575	41.1
109.02875	2.0
109.06506	11.4
109.10138	20.9
111.08098	10.2
113.23781	1.5
115.05431	2.4
117.06997	22.5
119.04933	2.6
119.08558	38.3
121.06503	10.6
121.10133	25.9
123.04391	1.7
123.08020	5.2
123.11658	3.3
125.05957	1.6
125.09618	18.8
127.03859	2.0
128.06223	2.1
129.06992	19.7
131.04968	2.4
131.08540	37.3
133.06508	5.6
133.10097	25.9
135.08029	8.7
135.11638	11.2
137.09605	3.2
141.06972	2.5
142.07762	2.8
143.08542	11.3
145.06488	7.1
145.10109	22.0
147.04382	3.3
147.08051	7.2
147.11665	21.6
149.09589	16.9
149.13269	8.4
151.11244	1.6
153.09062	3.5
155.08510	6.6
157.10104	19.1
159.08012	5.8
159.11670	9.5
161.09622	2.7
161.13191	2.9
163.11156	11.6
165.12691	2.6
167.08524	2.1
169.10095	7.2
171.08099	1.8
171.11653	2.6
173.09436	1.6
173.11739	2.8
173.13202	5.4
175.11197	9.8
177.12720	3.3
183.11647	5.5
185.13264	2.9
187.11118	3.1
189.11183	8.8
193.12199	29.7
195.11746	1.8
195.13873	2.0
205.12161	1.8
209.13329	2.1
211.13120	1.8
227.12654	16.9
229.14346	7.5
239.18011	2.3
245.13657	1.9
249.14755	2.4
255.15761	2.7
257.18982	2.4
267.15854	61.7
269.17349	13.6
273.18393	1.5
275.20047	21.3
283.66483	1.5
291.19461	5.0
299.19949	5.3
301.14020	2.6
327.19431	1.6
349.23721	17.1
350.82315	1.6
351.22998	1.5
365.23230	2.4
369.24020	3.3
419.23788	1.8
421.25870	9.5
437.24899	2.5
443.27777	3.2
443.33618	1.7
447.27319	26.6
449.30032	1.8
459.27560	3.2
461.28949	73.3
467.31638	2.1
493.31931	3.1
501.31900	1.8
503.29269	1.6
519.32513	2.2
523.34192	4.6
531.36206	1.5
541.35211	91.1
559.36267	44.4
569.31189	1.7
573.37708	3.3
583.35522	2.1
587.32220	2.4
591.39099	3.5
609.36108	2.1
625.37103	2.3
631.78363	1.9
675.10370	1.4
827.28070	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	3.5
69.03400	3.1
69.07069	1.2
71.08625	1.1
73.02902	2.3
81.07056	4.1
82.91481	1.0
85.02900	4.2
91.03957	1.5
95.08627	1.1
97.02894	1.8
97.10122	1.0
107.04958	1.0
109.10143	1.6
126.35285	1.5
127.03867	1.1
131.08598	1.0
185.04268	1.1
243.08331	1.4
271.80194	0.9
347.09586	1.8
405.13889	6.0
412.64734	1.0
440.75375	1.1
444.59042	1.1
461.08914	1.0
461.21341	1.0
497.30750	2.3
549.26880	5.4
655.71631	1.0
659.36249	5.6
711.32062	4.3
967.55780	100.0
968.55457	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	966.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	32.5
69.03423	9.0
69.06709	1.6
69.07059	19.5
71.04988	1.4
71.56981	1.2
73.61913	1.1
77.42546	1.1
79.05476	30.9
81.02935	2.4
81.03403	56.0
81.07040	30.7
83.04982	10.5
83.08601	16.4
85.02884	2.1
85.06520	1.7
85.07252	1.1
91.05460	34.8
93.07028	27.2
95.04957	20.1
95.08604	14.5
97.02867	8.2
97.06512	6.5
97.10163	12.2
105.03394	1.5
105.07018	24.3
107.04961	10.1
107.08592	18.7
109.06482	5.9
109.10164	9.2
110.40855	1.1
111.04424	14.9
111.08080	9.5
115.03879	1.8
115.05424	1.8
117.07018	10.9
119.08573	19.5
121.06496	7.8
121.10143	13.3
123.08070	2.5
123.23734	1.1
125.09593	6.7
126.45955	1.2
127.03911	1.5
129.06981	8.0
131.08553	15.1
133.06447	3.1
133.10138	11.3
135.08018	6.5
135.11685	8.1
137.09532	2.6
143.08571	2.7
145.10114	11.7
147.04434	1.2
147.08031	5.6
147.11655	8.4
149.09569	5.7
151.11157	1.6
153.12761	6.4
155.08563	1.9
157.10085	8.1
159.11728	1.6
161.09604	2.6
162.63268	1.2
163.11121	12.8
165.12701	1.4
173.09607	4.5
175.11172	6.3
177.12697	1.5
181.12230	8.4
191.10649	6.3
193.12199	11.6
209.11737	1.3
211.13280	1.3
219.13795	4.9
223.13307	13.8
227.12740	9.1
249.14850	1.9
253.14160	1.8
267.15814	39.6
268.77039	1.6
273.18512	4.9
275.19974	5.1
283.15323	4.4
291.19482	49.6
315.17902	11.9
347.22009	1.6
349.23773	2.5
365.23221	22.8
377.91348	1.5
445.25870	2.7
459.26971	5.7
463.26724	2.7
477.28351	1.8
495.29291	2.4
504.42133	1.4
509.31055	14.9
520.99933	1.3
539.33966	9.3
557.34668	100.0
558.34430	1.8
575.35358	5.0
589.37085	6.4
599.36469	1.6
742.28729	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6198
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	68.9
69.03423	12.9
69.07053	33.8
71.01368	1.5
71.04974	5.9
71.08617	40.3
73.02899	5.9
75.79728	1.4
77.91185	1.2
79.05477	56.0
81.03397	14.5
81.07040	91.6
83.04967	11.0
83.08597	24.5
84.51397	1.3
85.02890	21.3
85.06522	7.4
85.10165	23.8
88.89420	1.2
91.03940	6.1
91.05469	51.2
92.09132	12.1
93.07024	62.0
95.04954	9.4
95.08587	68.1
97.02873	13.9
97.06509	12.5
97.10150	11.0
99.04423	2.3
99.08044	1.4
101.02397	1.3
103.05452	1.9
105.04517	1.3
105.07019	41.7
105.07660	2.5
107.04934	9.1
107.08589	35.6
109.02882	2.1
109.06493	5.6
109.10155	34.7
109.91201	1.2
111.08067	3.1
115.05441	1.6
117.07002	17.5
119.08566	28.6
121.06502	6.3
121.10124	23.4
123.08022	1.9
123.11666	8.4
125.09660	1.7
127.03899	6.8
129.06975	6.2
131.08553	31.4
133.10120	21.1
135.08040	5.7
135.11670	16.2
137.09576	1.9
137.13240	2.5
143.08543	5.2
145.04903	2.2
145.10086	14.3
147.08090	5.1
147.11685	9.1
147.95058	1.3
149.09615	8.4
149.13246	11.0
151.11230	1.7
155.08565	2.2
157.10063	6.3
159.11647	16.6
161.13197	2.0
163.06064	1.7
163.11166	5.6
169.10094	3.2
173.04385	1.6
173.13239	5.7
177.12686	1.6
183.11734	2.7
185.13292	2.9
189.08830	1.3
195.13876	2.7
197.13365	1.6
203.14310	1.9
224.85899	1.4
227.12671	1.4
229.14397	8.1
239.17967	1.8
239.23717	2.2
255.15974	8.0
257.18893	9.2
269.17401	29.7
275.19958	24.6
293.21149	2.8
309.20514	5.0
311.25638	1.5
313.27335	100.0
314.27264	2.4
331.22525	2.8
349.23666	33.5
367.24588	7.8
413.21423	1.9
467.37427	10.1
485.42007	1.5
493.27759	1.6
493.38751	21.8
507.40396	98.6
508.40485	1.8
521.41840	2.8
547.43634	26.7
587.46692	57.9
605.47742	16.5
609.69745	1.4
651.43793	2.2
749.52191	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	964.6193
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	52.9
69.03425	8.5
69.07052	32.0
71.01320	1.9
71.04974	3.7
71.08614	34.7
72.17589	2.1
73.02898	3.4
76.70270	2.1
79.05473	38.2
81.03399	10.2
81.07034	63.1
81.07481	3.8
83.04948	7.3
83.08592	27.0
84.25758	1.8
85.02888	12.9
85.10163	16.0
91.03936	7.8
91.05460	43.4
92.08740	4.5
92.09343	4.0
93.07015	42.2
95.04951	13.4
95.08579	42.0
97.02882	10.0
97.06512	9.5
97.10134	17.5
98.95988	2.3
105.07012	36.3
107.04935	10.3
107.08578	30.8
109.02842	2.5
109.06502	5.1
109.10146	25.0
111.08066	3.3
117.07005	14.1
119.08533	26.6
121.06490	4.1
121.10133	14.7
123.08027	2.1
123.11630	3.7
125.09609	14.1
127.03919	2.3
129.06953	2.5
131.08508	15.5
133.10101	22.3
135.08067	2.6
135.11655	4.9
143.08514	4.1
145.10078	18.5
147.11656	10.6
149.09642	8.2
149.13228	3.8
151.36177	2.0
157.10123	3.4
159.11687	9.3
161.13255	3.5
163.11142	7.2
171.11653	3.9
173.13200	3.2
189.11153	2.5
227.12770	19.1
229.14410	2.4
239.23633	3.0
255.15872	7.4
257.18933	10.2
267.15781	2.1
269.17517	13.3
275.20023	32.5
313.27289	100.0
331.22522	2.2
349.23727	35.6
467.36707	4.3
483.37131	3.3
493.38950	9.1
507.40207	32.7
508.41171	2.1
547.43451	8.8
587.46545	86.9
588.46954	2.7
599.91315	2.4
605.47552	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.619
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01848	1.3
67.05493	11.7
69.03426	6.2
69.07061	7.3
71.04961	2.1
76.56506	0.9
79.05463	4.4
81.03392	25.4
81.07040	16.9
83.08598	5.5
84.72667	1.0
85.02883	5.4
91.05470	4.3
93.07017	5.5
95.08579	15.6
97.02867	13.3
97.06504	2.2
97.10149	6.0
99.04412	8.0
105.01746	0.9
105.07007	1.9
107.08610	5.1
109.02853	29.5
109.10147	6.7
111.08057	1.0
117.05473	8.8
119.08564	2.5
121.10143	5.8
123.11680	1.6
127.03889	18.5
133.10114	2.6
135.11670	4.2
135.39407	1.0
147.11697	1.3
149.13281	1.1
159.06491	100.0
165.16316	1.6
168.27048	1.0
186.19989	1.1
187.05940	4.6
189.16379	5.1
207.17422	2.6
225.18494	2.5
243.19417	2.6
247.08061	6.7
247.24170	2.0
265.25198	4.5
283.26300	4.9
412.97894	1.1
463.29568	1.1
465.42877	6.4
489.42886	4.6
507.43976	1.9
525.45038	1.7
548.92615	1.2
605.47174	1.9
623.48669	4.7
775.19891	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6191
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	6.9
69.03423	8.4
69.07051	11.4
79.05472	4.2
81.03396	21.6
81.07044	16.6
83.08601	9.7
85.02897	4.4
90.83974	1.7
91.05475	1.7
92.08849	17.3
93.07062	2.1
95.08582	15.2
97.02888	15.8
97.10123	6.9
99.04431	8.3
99.29493	1.6
107.08578	3.9
109.02867	32.7
109.10131	8.6
111.11719	1.8
114.37423	2.1
117.05499	15.9
119.08575	2.3
121.10111	4.1
123.11626	2.2
127.03891	25.4
133.10085	2.4
135.11690	6.6
159.06503	100.0
187.05978	3.4
207.61438	1.8
211.20581	2.1
219.21104	1.7
225.83990	1.8
247.08067	6.7
253.21571	4.3
255.23029	6.9
330.63275	1.8
369.26080	2.3
465.42767	7.3
489.43240	3.0
489.68033	1.9
507.44000	4.3
548.02209	2.5
623.48712	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	962.6042
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05173	4.8
67.05492	19.9
69.03410	6.8
69.07056	18.1
71.08618	15.2
79.05473	12.5
81.07050	23.3
83.08598	10.3
85.02885	3.6
85.10155	10.2
91.05441	8.8
92.08715	4.2
92.09283	4.2
93.07039	16.7
95.04948	9.5
95.08578	19.7
97.02856	6.9
97.06548	1.9
97.10145	7.9
105.07018	9.6
107.04917	2.6
107.08567	9.0
109.06510	6.5
109.10126	7.9
110.35667	1.9
111.08080	2.0
117.06982	3.0
119.08559	6.1
121.06497	2.7
121.10175	2.2
123.08054	2.6
123.11654	2.1
125.09585	2.6
131.08557	2.8
131.56155	1.7
133.06502	1.9
135.08035	2.3
145.10066	3.2
147.07961	2.2
157.10138	2.1
177.22011	2.1
208.15967	1.7
223.13258	9.2
249.14822	2.5
257.24554	2.7
273.18408	7.7
291.19495	64.4
305.55234	2.2
305.96341	2.0
313.27249	49.2
347.22089	2.8
365.23169	33.7
406.64368	1.9
523.39838	2.4
585.45209	4.2
603.46136	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	962.6035
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05168	4.2
67.05490	22.8
69.03413	9.0
69.07053	24.3
71.04986	1.0
71.08614	14.8
73.02902	1.2
75.59036	0.8
79.05470	18.0
81.03387	6.2
81.07037	23.1
83.04968	3.7
83.08610	11.2
85.02886	6.8
85.10173	9.7
89.80766	0.8
90.11073	0.8
91.03933	1.5
91.05452	10.4
92.08670	0.9
92.09167	2.6
93.07015	13.3
95.04955	6.0
95.08589	17.7
97.02859	10.7
97.06517	1.7
97.10147	12.3
105.07006	7.6
107.04948	4.7
107.08575	10.2
109.02868	1.0
109.06499	3.1
109.10155	8.6
113.86649	0.8
117.06990	6.4
119.04921	1.4
119.08566	8.0
121.06477	1.9
121.10133	4.7
123.08031	3.1
125.09605	8.4
126.14458	0.8
129.06982	1.5
131.08519	7.4
133.06476	1.9
133.10101	3.9
135.08034	1.5
135.11690	0.9
137.09596	1.0
143.08553	1.5
145.10107	5.7
147.08054	5.4
147.11635	1.9
149.09619	1.0
157.10068	0.9
159.11751	1.1
161.09621	1.4
165.09077	0.9
169.10100	0.9
171.11769	0.8
189.11243	0.9
205.12196	1.3
223.13260	19.5
227.12784	3.7
239.23700	1.3
249.14812	4.1
273.18393	9.4
291.19482	81.2
313.27319	52.2
314.27914	1.3
347.22144	1.0
365.23154	48.4
366.23581	1.2
382.40494	1.0
469.18445	0.9
505.39410	1.0
523.39771	4.3
526.15619	0.9
534.85895	1.0
585.45380	1.0
603.46088	100.0
604.45978	3.3
761.66632	0.9
987.64508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.569
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	4.1
69.03414	4.1
71.01325	0.5
73.02902	4.6
73.83814	0.3
79.05480	3.5
81.03425	1.8
81.07044	4.1
85.02895	6.7
91.03930	4.8
91.05477	0.8
92.09092	0.4
93.07030	3.6
95.08589	3.7
97.02873	6.4
99.04476	0.8
101.02342	2.4
105.07020	1.5
107.08617	2.4
109.02868	0.7
109.10166	0.7
115.03967	0.5
117.06969	0.4
121.10149	1.3
125.55447	0.4
127.03944	2.1
131.08629	0.4
133.10132	0.6
135.11703	0.5
143.11690	0.4
158.65121	0.4
161.13318	0.4
172.64766	0.4
185.04416	0.5
190.54155	0.3
203.05345	1.5
243.08275	2.5
262.87375	0.4
271.16513	0.4
303.08536	0.3
335.25717	0.8
337.26550	0.6
347.09515	3.7
363.08899	0.5
365.10580	0.7
365.34216	0.4
405.13669	8.5
405.18716	0.6
489.80566	0.4
519.29193	10.2
681.34534	10.3
797.51459	0.7
959.56885	100.0
960.57275	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	961.5846
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	1.4
69.03419	1.9
69.07047	1.1
73.02911	2.2
74.64311	1.2
81.03400	1.1
81.07065	4.4
85.02916	5.8
91.03958	1.4
91.05501	1.3
92.09090	6.7
93.07048	1.0
93.13112	0.9
95.08596	1.9
97.02897	4.6
101.02385	1.6
127.03945	1.4
278.48001	1.1
347.09674	1.4
405.13849	6.7
519.29456	5.0
521.30878	2.2
654.52771	1.1
681.34760	6.8
683.36560	4.0
799.52448	1.4
961.58398	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	955.595
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	0.8
79.05508	0.7
81.06999	0.6
92.08768	3.3
95.08598	0.5
287.07474	3.1
593.47455	0.7
655.32941	1.0
691.51556	0.6
709.52930	1.0
715.34814	0.9
955.59406	100.0
956.59332	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	955.5936
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	4.4
67.64136	1.1
69.07048	1.2
79.05484	1.6
79.60026	1.2
81.07056	5.2
86.56427	1.2
91.03955	1.4
92.08997	12.2
93.07034	2.3
95.08594	2.7
98.83942	0.9
107.08549	1.6
112.99676	1.2
117.06968	1.1
169.55478	1.2
210.89406	1.4
287.07318	12.9
335.25882	4.8
336.26016	1.7
570.41394	1.4
593.47412	7.0
644.41895	1.3
752.75464	1.5
839.54932	8.2
856.82416	1.7
915.73663	1.3
955.59387	100.0
956.58954	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	956.63
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	93.5
69.03407	3.5
69.07056	36.0
71.04968	1.9
71.08616	1.9
73.02911	7.1
77.03937	0.7
79.05476	53.2
81.03397	1.6
81.07038	100.0
83.04961	1.8
83.08604	19.0
85.02888	24.6
85.06535	1.8
91.03938	15.9
91.05455	36.0
92.09136	5.0
93.07026	59.2
95.04937	5.2
95.08585	84.7
96.04482	0.8
97.02874	15.5
97.06505	6.6
97.10139	10.2
99.08098	1.8
105.04468	1.4
105.06428	1.0
105.07021	27.4
107.08583	39.4
109.06490	0.9
109.10148	35.1
111.08060	1.7
117.06998	9.7
119.08566	26.3
121.10127	29.5
123.08028	1.4
123.11702	9.1
125.09619	1.4
127.03889	4.5
127.07648	0.8
129.06946	0.9
131.07645	1.0
131.08560	16.0
131.09482	1.4
133.10118	21.0
135.08119	0.8
135.11670	16.8
137.09579	1.3
137.13231	3.7
141.11844	0.7
143.08531	1.4
145.04942	3.9
145.10109	12.8
147.11673	13.8
149.13237	12.5
151.11261	0.9
151.14940	1.0
157.10030	1.0
159.11682	7.0
161.13249	9.9
163.06023	5.7
163.14783	6.1
165.16394	1.0
171.11595	1.0
173.13199	7.7
175.14781	5.3
177.16290	1.7
185.13271	1.1
187.14816	4.3
201.16388	1.0
201.66412	0.9
203.18021	0.8
205.19518	0.8
215.18008	0.9
215.87750	0.9
233.22578	1.2
241.19530	1.8
243.21054	7.3
245.22522	1.4
246.88867	0.8
259.20575	5.4
261.22070	18.6
263.23651	3.5
317.24829	4.2
318.14014	0.8
333.24072	2.8
335.25751	59.4
337.27310	64.1
338.27704	0.9
339.28888	4.9
369.52539	0.8
449.09464	0.8
523.44739	4.1
541.45984	1.3
597.48718	31.8
615.49731	60.4
616.50073	2.7
766.49457	0.8
794.15125	1.0
918.60773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6137
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	93.5
69.03416	4.9
69.07054	23.5
69.97868	0.6
71.04977	2.9
71.08603	1.0
73.02901	9.1
79.05473	70.5
80.05798	0.8
81.03412	1.4
81.07035	100.0
83.04958	3.2
83.08611	12.3
85.02889	28.2
85.06523	3.0
91.03930	14.9
91.05456	44.7
92.08872	1.0
93.07017	84.6
95.04932	7.0
95.08581	77.6
96.04482	0.6
97.02864	15.2
97.06506	4.5
97.10124	4.6
99.04423	1.2
99.08079	0.9
105.04516	2.6
105.07012	36.2
107.08573	41.9
107.09299	1.4
109.02805	0.8
109.06488	2.6
109.09385	1.2
109.10136	32.7
111.08025	1.4
112.51991	0.8
114.37990	0.7
115.03899	1.4
117.06990	11.4
117.48342	0.7
119.08555	29.7
121.10111	32.9
123.08019	1.1
123.11650	9.6
127.03894	5.8
129.06969	3.7
131.08537	24.3
133.10098	24.7
135.08029	0.8
135.11664	20.4
137.09645	0.9
137.13225	3.1
143.08528	3.5
145.04906	6.0
145.10097	18.6
147.11659	15.3
149.13232	13.9
157.10091	3.9
159.11638	14.3
161.13248	11.5
163.05960	5.3
163.14778	5.3
165.12741	0.7
171.11661	5.2
173.13203	11.5
175.14778	3.8
177.12672	0.6
177.16380	1.0
185.13193	2.9
187.14847	4.9
197.13332	0.9
199.14784	1.2
201.16350	1.4
203.18073	0.8
213.16383	0.8
215.17924	1.0
236.90808	0.7
241.19492	2.5
243.20955	4.7
259.20517	7.3
261.22046	18.2
263.23642	1.1
287.99420	0.6
299.23328	0.7
315.23254	0.7
317.24664	3.2
333.24158	7.9
335.25717	87.5
337.27246	11.8
521.42938	3.3
539.44067	1.0
585.57465	0.8
595.47034	17.9
613.48169	30.3
614.47839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	100.0
69.03400	7.0
69.07059	19.1
69.97206	1.1
71.01340	1.4
71.04982	12.3
73.02882	2.8
77.67867	1.1
79.05473	64.0
81.03416	9.8
81.07037	68.6
82.64906	1.3
83.04958	6.9
83.08605	17.0
85.02889	18.1
85.06531	5.9
87.04446	25.3
88.06873	1.1
89.61726	1.1
91.03915	5.6
91.05466	28.5
92.08924	1.6
93.07027	55.4
95.04961	9.6
95.08587	43.4
97.02885	11.8
97.06512	2.5
97.10147	20.9
99.04435	23.2
99.08037	1.3
104.10725	2.1
105.04496	1.3
105.07021	19.7
107.04967	1.4
107.08577	36.4
109.02879	1.3
109.06496	4.9
109.10138	47.5
111.04420	2.2
111.08024	5.6
115.03906	2.4
117.07007	8.7
119.08546	18.3
121.06510	2.4
121.10107	19.2
123.11644	2.9
125.09612	13.9
127.03869	3.0
131.08528	12.9
133.10069	9.1
134.99278	1.3
135.11653	11.9
137.09618	2.5
144.09329	1.2
145.10060	10.1
147.11670	7.6
148.51898	1.6
149.09566	2.1
149.13249	5.9
154.14429	1.2
155.10564	2.0
157.10025	2.1
159.11688	5.2
161.13130	5.1
163.11101	3.0
171.11671	1.7
173.11679	9.2
173.13216	5.8
175.14708	1.4
177.12682	2.3
181.12195	1.8
184.07332	1.9
189.06680	1.5
191.10654	1.6
193.12251	1.4
199.13239	8.2
201.16382	2.0
206.16023	1.2
227.12689	5.0
229.14314	21.5
241.14355	2.4
243.20857	2.0
261.22058	9.5
267.15729	2.6
277.21439	1.5
315.17984	9.4
335.25723	42.6
363.25107	2.3
433.30591	2.0
477.35703	22.7
489.35724	29.9
543.36353	5.9
561.37384	1.6
575.39178	8.1
593.40228	4.8
607.13281	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	100.0
69.03407	7.2
69.07055	15.8
71.01320	1.3
71.04984	10.8
73.02898	5.5
79.05479	52.9
81.03399	9.0
81.07037	58.3
83.04958	5.7
83.08595	14.2
85.02881	17.7
85.06531	3.1
87.04453	34.0
91.03938	6.4
91.05463	30.3
92.08627	2.9
92.09216	6.6
93.07023	47.0
93.07574	2.8
95.04963	10.2
95.08586	36.7
97.02868	7.5
97.06526	2.4
97.10158	14.2
99.04428	17.8
105.07042	18.0
107.04977	2.5
107.08577	27.0
109.06494	2.1
109.10147	50.3
111.04446	1.8
111.08081	1.8
111.70277	1.2
115.03969	1.9
117.06980	8.6
117.24124	1.3
119.08548	15.4
121.10131	19.7
123.08047	1.8
123.11645	3.2
125.09615	10.7
127.03860	1.6
129.07005	1.8
131.08531	12.8
133.10092	8.1
135.11676	6.1
137.09612	1.9
143.08588	2.1
143.83505	1.5
145.10156	10.0
147.11659	3.0
149.13217	2.6
159.11665	3.1
162.78658	1.5
163.11136	5.6
173.11702	11.4
173.13121	4.2
187.14853	1.4
193.12236	2.0
199.13211	3.1
227.12697	2.9
229.14343	19.3
241.14339	2.2
261.22006	9.7
267.15915	3.4
315.17926	6.7
317.24826	1.6
335.25775	47.5
383.26227	1.6
477.35553	9.1
479.00500	1.4
489.35626	36.2
543.36774	6.9
561.37695	2.2
575.38977	3.1
593.40820	2.2
979.09607	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	100.0
69.03424	2.6
69.07045	10.3
71.04974	7.8
73.02895	2.6
75.45560	0.9
79.05475	40.1
81.03402	8.0
81.07037	50.1
83.04964	5.2
83.08572	10.8
85.02878	13.2
85.06491	1.7
87.04453	40.8
88.59945	1.1
91.03937	4.7
91.05457	29.6
93.07015	36.3
95.04951	7.4
95.08584	33.0
97.02882	5.6
97.06496	1.7
97.10149	8.7
99.04435	5.2
104.24178	1.1
105.07003	14.4
107.04956	2.3
107.08591	21.3
108.76221	1.3
109.02814	1.2
109.06487	1.7
109.10139	52.4
110.85848	1.1
111.08047	1.8
117.07011	2.8
117.84633	1.2
119.08594	13.7
121.10111	17.5
125.09613	5.5
127.03854	1.5
129.06970	2.4
131.08557	8.9
133.10127	8.0
135.11673	7.2
137.09593	2.1
145.04971	1.4
145.10094	8.6
147.11682	4.9
149.13248	4.4
157.10025	2.0
159.11653	4.4
161.13257	1.9
163.11147	1.4
171.11684	1.2
173.11700	11.3
173.13136	2.1
174.04842	1.1
180.47301	1.1
187.14861	1.7
193.12259	1.9
199.13312	2.1
222.33398	1.2
223.50771	1.1
227.12758	4.9
229.14326	28.2
243.21184	1.2
257.13818	1.4
260.20865	1.3
260.79422	1.3
261.22125	7.0
267.15848	2.4
315.18036	4.4
335.25693	30.2
349.94046	1.1
363.25143	2.0
466.67279	1.3
477.35495	6.2
489.35641	43.7
517.35077	1.9
525.35431	1.6
543.36420	7.6
575.39117	2.3
637.64752	1.2
710.97662	1.4
731.99713	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.6402
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	9.6
69.03418	7.1
69.07053	12.8
71.05003	1.6
71.08619	3.6
72.17574	1.6
79.05462	4.0
81.03394	30.3
81.07030	18.1
83.08603	10.4
85.02887	3.2
91.05476	2.0
92.09069	10.9
93.07010	8.0
95.08569	17.5
97.02861	15.4
97.10144	3.9
99.04438	4.4
105.06990	2.8
107.08574	3.7
109.02863	32.0
109.10144	7.7
117.05469	100.0
119.08596	1.9
121.10123	4.3
123.11684	2.9
127.03902	21.4
133.10112	2.7
135.11630	2.4
149.13286	3.5
159.06517	33.1
187.06006	4.2
247.08020	9.1
253.21446	3.0
265.25195	2.3
281.33218	1.7
283.26349	3.1
493.46219	20.0
609.50928	2.1
651.51581	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17835	1.1
67.05489	100.0
69.03401	14.9
69.07050	48.1
70.06583	1.7
71.01309	1.9
71.04979	10.6
71.44896	1.5
73.02886	7.3
75.19772	1.3
76.13439	1.4
78.58588	1.2
79.05468	78.5
81.02929	2.8
81.03392	66.1
81.07034	85.6
83.04958	26.8
83.08598	30.7
83.61712	1.6
84.34496	1.3
84.76750	1.3
85.02881	41.4
85.06498	5.9
91.03926	9.6
91.05456	91.9
92.08894	5.0
92.15181	1.4
93.07019	71.0
95.04396	2.2
95.04947	36.5
95.08579	50.0
97.02872	19.1
97.06507	22.0
97.10134	16.4
99.04419	2.2
99.08023	2.3
103.05406	2.1
105.03372	7.0
105.04493	2.2
105.07013	65.5
107.04939	22.1
107.08565	38.3
109.02885	2.4
109.06511	11.8
109.10130	32.1
111.04415	5.7
111.08078	16.0
113.05985	1.7
115.05443	2.9
116.04678	2.6
116.06144	1.6
117.06991	19.8
119.04891	2.4
119.08564	50.1
121.06482	8.3
121.10126	19.5
123.08021	9.4
123.11690	2.3
125.05935	1.4
125.09579	14.0
127.03922	1.8
128.06235	2.5
129.05489	5.2
129.06966	17.9
131.08549	29.1
133.06470	5.7
133.10106	34.0
135.07997	7.2
135.11661	11.4
137.09602	15.4
141.06949	1.6
142.07761	5.7
143.06973	1.6
143.08519	6.2
145.04953	1.4
145.06491	2.3
145.10092	19.5
147.08070	2.2
147.11664	26.1
149.09615	26.6
149.13246	3.5
155.08546	2.7
157.08702	3.0
157.10088	19.8
159.11647	10.5
161.09528	3.1
161.13234	3.2
163.11143	12.9
165.12697	1.6
171.10229	1.8
171.11600	3.3
173.11696	5.5
173.13243	6.1
175.11182	14.7
177.12711	1.9
179.14241	1.8
185.13132	2.1
187.11171	2.2
193.12204	30.9
197.13239	2.0
201.12833	2.6
211.13242	35.5
223.13362	2.1
227.12682	7.9
229.14297	9.0
239.17979	1.9
247.20525	1.5
253.14276	2.5
255.15889	1.8
257.18900	5.7
267.15912	20.9
273.18304	2.3
274.27405	1.9
275.19983	23.6
283.15363	2.6
285.16901	30.0
291.19437	7.3
293.20868	1.8
301.16406	10.4
331.22488	1.6
349.23672	34.2
365.23212	2.6
383.24139	1.4
421.25720	7.1
423.27701	1.5
435.27615	1.9
439.26846	25.8
495.29401	5.2
541.35107	15.1
557.34210	8.0
559.36163	38.5
575.35443	11.6
577.36792	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	948.6247
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	34.5
68.12400	1.8
69.03408	2.3
69.07042	18.0
71.08612	28.5
73.02867	2.3
79.05476	32.0
81.07039	46.4
83.08607	13.1
85.02899	13.6
85.10181	15.1
91.03942	9.9
91.05470	46.3
92.09192	2.4
93.07029	43.2
95.04974	3.3
95.08589	45.2
97.02886	14.0
97.10144	3.5
100.66297	2.2
105.07018	61.7
107.04961	3.0
107.08588	26.7
109.10134	15.6
117.06992	15.7
119.08566	48.8
121.10136	21.4
123.11679	3.3
127.03861	4.1
129.06981	11.9
131.08549	22.6
133.10127	41.1
135.11647	16.1
143.08592	11.4
145.04987	2.8
145.10092	17.6
147.11671	34.6
149.13205	6.6
157.10185	9.5
159.11670	16.9
161.13245	19.6
163.06015	8.1
169.10207	2.3
171.11687	14.0
173.13348	4.8
175.14842	9.4
185.13290	8.6
192.11093	2.1
199.14758	3.6
225.94183	2.4
231.21216	2.3
241.19478	25.0
257.18866	2.4
259.20535	75.2
313.27325	86.4
333.24185	44.6
403.24423	2.3
509.45221	3.0
571.47125	19.0
588.46606	3.0
589.48218	100.0
679.49249	4.4
715.50775	3.1
765.63220	2.3
835.10291	2.5
968.22687	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	950.6401
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01865	2.1
67.05487	27.8
69.03410	17.2
69.07055	41.5
71.04978	8.6
71.08611	7.9
78.39348	1.1
79.05470	11.3
81.03397	58.1
81.07038	45.9
83.08599	28.5
85.02892	16.5
85.06521	1.5
85.10152	3.0
91.05452	4.4
92.08789	2.9
93.07019	20.7
95.04967	1.5
95.08585	50.1
97.02872	30.7
97.06505	8.8
97.10143	20.9
99.04427	18.2
99.08069	1.5
103.03922	2.2
105.07018	5.1
107.08582	14.4
108.84740	1.1
109.02864	62.1
109.10136	26.0
111.08107	2.0
111.11719	8.6
114.37871	1.3
117.05471	82.3
119.08537	2.4
121.10113	19.5
123.11687	8.8
125.09583	3.0
127.03893	46.6
129.40291	1.1
133.10114	3.1
135.11670	15.3
137.09550	1.4
137.13266	2.2
139.11163	4.5
145.04932	2.5
147.11664	2.6
149.13214	11.3
151.14796	1.5
153.12714	2.3
159.06496	100.0
161.13319	1.4
163.14803	7.7
167.14337	1.6
169.04974	5.4
175.14836	1.4
177.16357	1.8
187.06029	11.2
191.18013	1.9
193.19548	1.9
211.20599	7.6
212.53932	1.3
217.19498	7.0
229.07057	4.6
235.20436	4.9
247.08055	15.7
247.24205	8.5
253.21565	5.0
265.25162	11.1
271.22458	2.3
283.26315	17.7
347.38412	1.2
356.12317	1.4
369.26364	7.4
387.27487	1.8
390.96109	1.5
493.39136	2.5
493.46045	56.9
494.46002	2.0
499.00546	1.4
504.22476	1.5
517.45795	2.1
535.47662	1.9
591.49249	1.9
633.50568	6.3
651.51874	39.7
669.52802	3.0
670.76935	1.5
720.73169	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.6252
Annotation	Unknow
Peak:m/z	Relative Intensity
66.22228	2.3
67.01848	2.4
67.05490	15.9
69.03407	15.5
69.07056	10.6
71.08614	10.7
72.71918	2.4
79.05486	6.1
81.03401	41.7
81.07034	27.1
83.08614	5.7
85.02906	4.9
86.24924	3.2
91.05453	6.4
93.07017	10.5
95.08588	19.9
97.02873	29.1
97.10143	2.4
99.04439	6.3
105.07004	6.5
107.08569	5.8
109.02850	44.9
109.10158	5.6
115.39532	3.5
117.05489	9.8
119.08524	13.0
121.10164	5.3
122.00106	2.9
127.03900	26.1
133.10114	6.0
135.83101	3.1
147.11667	3.6
159.06508	100.0
187.05945	6.4
247.08165	4.5
253.21725	2.6
259.20502	5.3
313.27313	5.8
329.64081	3.1
333.24078	3.0
467.44385	10.8
589.48077	4.4
607.49176	5.1
646.00067	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	948.6243
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	60.7
69.03400	5.4
69.07063	31.3
71.08605	46.2
79.05466	49.8
81.03396	20.6
81.07036	66.0
83.08601	19.2
85.02882	25.4
85.10168	21.2
87.56224	4.7
89.06052	5.2
91.03944	10.8
91.05466	66.3
92.09054	26.6
93.07023	52.2
95.04948	6.7
95.08591	76.7
97.02869	20.5
97.10160	17.5
105.07010	70.4
107.08595	30.4
109.02876	16.6
109.10129	24.2
117.05472	21.0
117.07037	15.8
119.08543	62.8
119.66088	3.9
120.95854	4.0
121.10095	19.6
121.24940	4.2
123.11707	7.0
127.03952	7.5
129.07010	7.8
131.08508	22.1
133.10115	53.0
135.11673	10.4
143.08525	7.0
145.10051	7.8
147.11690	44.7
149.13214	7.7
157.10172	7.3
159.06508	4.7
159.11679	18.4
161.13266	29.0
171.11635	17.5
173.13231	6.0
175.14912	5.4
185.13281	16.7
186.90054	4.2
241.19481	16.9
259.20557	84.7
271.22574	6.9
313.27255	91.0
333.24057	35.1
347.79889	4.8
414.16565	4.9
509.45529	15.7
571.46698	20.3
589.48175	100.0
590.47894	6.3
921.56042	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	946.6087
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	12.2
67.37582	0.8
69.07051	9.6
71.08612	7.2
71.26917	0.8
71.51919	0.8
74.11248	0.9
74.23917	1.2
79.05474	12.8
81.03405	1.8
81.07036	17.0
83.04952	1.6
83.08600	4.8
85.10172	4.4
91.05456	15.5
92.08765	1.7
93.07023	12.7
95.01351	1.4
95.04956	2.0
95.08568	11.6
97.06517	5.0
97.10109	2.0
105.07007	21.5
107.04942	5.4
107.08594	6.9
109.06516	1.6
109.10149	5.9
111.08096	1.0
117.06988	8.6
119.08554	15.2
121.10134	4.4
123.11716	1.6
128.30795	1.1
131.08542	10.1
133.10100	14.6
135.11714	1.5
145.10080	4.6
147.11684	6.8
159.11639	4.0
161.13188	1.6
173.13217	1.5
179.14258	2.2
197.13155	1.1
219.17418	26.9
275.20065	12.6
307.41455	0.9
313.27325	19.2
349.23657	9.3
587.46606	100.0
588.46509	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	945.7174
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	18.8
69.07055	17.7
79.05483	14.9
81.07039	47.4
83.08607	9.0
91.05450	14.2
92.09106	5.5
93.07021	49.5
95.04935	1.3
95.08585	83.0
97.06494	2.3
97.10158	5.9
102.47203	1.2
105.07008	41.1
107.08578	70.9
109.06490	2.1
109.10140	54.6
111.08051	29.1
117.06989	2.1
119.08558	70.3
119.19534	1.2
121.10117	56.5
123.08053	1.6
123.11686	19.1
129.06946	1.8
131.08534	20.1
133.10106	62.2
135.11667	29.2
137.13223	7.6
137.48877	1.3
139.11133	10.4
143.08545	7.0
145.10112	35.9
147.11673	43.4
149.13229	30.4
151.11156	2.7
151.14801	1.1
153.09116	5.1
157.10120	2.8
159.11670	25.7
161.13226	39.3
163.14792	43.4
163.16054	2.3
167.10651	1.5
169.10060	1.3
171.11662	6.6
173.13228	19.8
175.11171	1.5
175.14787	32.0
177.09119	2.3
177.16338	26.5
179.10600	1.8
181.45493	1.4
185.13193	5.2
187.14792	20.8
189.16351	69.8
191.17914	15.1
195.17418	4.8
197.13196	1.3
199.14777	6.4
201.16359	49.6
201.18201	2.3
203.17929	61.2
205.15834	2.2
205.19588	1.6
207.17404	22.3
211.14949	1.7
213.16289	13.3
215.17888	35.1
216.52541	1.4
217.19427	9.0
219.17407	7.2
221.18954	9.9
227.17918	6.5
229.15950	1.3
229.19481	7.3
231.17436	1.5
231.21043	1.7
235.16898	7.5
235.20378	1.4
239.17929	4.5
241.19427	6.8
243.21049	12.0
247.16899	13.0
249.18245	3.5
255.21062	5.9
257.22681	1.7
261.18390	14.4
267.21039	2.2
269.22635	2.5
283.23956	3.7
285.18466	1.7
287.19971	1.5
289.21307	4.0
301.21371	2.4
303.23154	1.6
312.51590	1.4
343.26126	1.8
391.33667	15.4
393.34686	1.3
397.30994	9.3
409.34558	41.5
411.36075	6.7
425.34039	21.6
427.35559	20.8
437.34042	100.0
455.35126	64.0
471.34943	2.5
472.35156	2.0
473.35831	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	945.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	1.5
68.10683	0.9
69.03422	4.9
73.02895	2.2
79.05483	2.0
81.03416	1.6
81.07053	2.0
85.02893	4.9
91.03948	1.9
91.05482	1.3
93.07032	3.9
95.08605	2.4
97.02892	4.5
101.02370	1.5
107.08624	1.3
121.10146	1.1
127.01431	1.0
127.03946	1.4
129.16927	1.1
135.11682	1.1
243.08417	2.1
299.01205	1.2
347.09393	3.8
351.14926	1.1
354.44208	1.0
386.85175	1.2
405.13712	7.8
505.27310	6.9
519.29449	4.1
667.33307	2.1
681.34015	3.1
900.89008	1.1
945.55212	100.0
946.55066	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	945.7173
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	7.2
69.07061	9.1
79.05483	7.2
81.07043	20.3
83.08604	7.0
91.05459	5.2
92.09090	1.1
93.07026	17.8
95.08587	46.8
95.09210	1.6
97.10175	1.9
105.07018	20.2
107.08582	43.1
109.09398	1.2
109.10144	30.1
111.08080	1.0
111.11754	0.8
117.07022	1.6
119.07713	1.9
119.08561	43.6
121.10125	39.0
123.11693	8.4
125.09544	1.0
131.08549	6.8
133.10109	45.8
135.08063	1.8
135.11682	17.9
137.13264	1.8
145.10114	34.2
147.11671	30.0
147.83795	0.8
149.09625	3.3
149.13255	19.4
153.09038	1.6
157.10133	1.9
159.11671	34.8
161.13229	24.3
163.11182	8.9
163.14806	21.3
167.10637	1.7
171.11670	1.6
173.13257	10.1
174.14066	1.1
175.14783	25.9
177.12706	1.5
177.16345	29.4
179.14264	1.1
185.13135	1.4
187.14790	44.4
189.16353	65.0
191.17938	16.6
199.14832	1.2
201.16354	13.2
203.17934	100.0
204.18317	0.9
205.15858	47.7
205.19495	4.7
207.17467	7.2
213.16354	8.0
215.17938	4.2
217.19443	1.0
219.17415	4.9
219.21092	1.5
221.18964	3.6
223.16960	6.3
227.17949	1.8
229.19531	1.3
231.17351	1.6
231.21031	1.3
233.19106	1.2
235.16829	3.3
241.19591	1.8
249.18394	12.5
391.33423	14.2
409.34573	61.0
410.34903	1.4
411.36282	1.5
419.32922	1.1
427.35672	23.3
437.34100	48.4
438.34744	1.1
455.35159	27.4
473.36230	1.9
744.77991	1.0
773.27484	1.0
846.92059	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.5981
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	18.0
69.03413	2.5
69.07056	7.7
70.14015	1.6
71.08616	24.6
79.05481	11.3
81.03401	73.8
81.07037	22.9
83.04996	3.0
83.08598	18.6
85.02892	9.1
85.10162	15.2
88.84422	1.4
89.06044	1.8
91.03937	2.8
91.05468	12.2
92.09194	2.3
93.07038	6.1
95.04958	22.5
95.08586	18.6
97.02854	2.6
97.06500	2.1
97.10158	11.4
105.07024	10.2
107.04955	8.3
107.08601	3.2
109.10159	11.8
111.08089	3.9
111.11725	2.4
119.08582	10.9
121.06519	3.0
121.10155	3.0
123.04468	1.9
123.11652	2.0
129.07018	9.1
131.08557	6.4
133.06467	1.9
133.10162	3.9
147.08020	2.4
147.11664	3.7
148.59071	1.6
149.09657	7.2
157.10147	11.2
163.06125	2.2
163.11166	1.9
175.11180	10.0
193.12216	30.1
211.13298	5.9
212.12962	1.8
235.13406	2.3
236.94476	1.6
249.15152	1.8
267.15866	87.9
301.14172	1.6
309.16815	2.2
313.35098	1.7
341.30441	100.0
533.41943	93.6
551.42700	6.0
575.42773	7.0
629.44165	2.8
659.44812	2.6
681.31744	2.1
942.53247	2.1
965.51343	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.6136
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	90.7
69.07068	37.0
71.59386	3.8
79.05481	55.0
81.07042	100.0
83.08602	16.7
85.02885	17.5
91.03941	15.8
91.05456	24.8
92.08978	16.8
93.07018	73.0
95.04955	6.9
95.08579	81.1
97.02839	7.5
97.06479	7.0
105.07011	26.7
107.08588	40.9
109.10139	33.0
117.06996	4.8
119.08544	25.9
119.83089	3.8
121.10097	29.1
123.11718	6.8
124.78939	4.1
131.08534	9.7
133.10088	19.3
135.11661	16.2
145.04948	5.0
145.10143	9.1
147.11612	6.8
149.13268	8.7
159.11696	9.3
161.13222	6.3
163.05801	4.9
214.93719	4.1
226.19484	4.3
243.21118	5.4
244.84720	4.4
261.22098	9.9
265.60764	3.9
323.25845	58.5
335.25772	53.0
337.27213	9.2
583.47375	31.1
601.48334	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	3.9
69.03416	3.8
69.07055	1.0
71.01344	0.5
71.04974	0.5
73.02901	4.2
79.05455	2.9
81.03399	3.4
81.07042	4.6
82.07388	0.3
83.04974	0.4
83.08621	0.5
85.02887	7.3
91.03937	3.2
91.05450	2.5
92.08575	0.2
92.09086	1.2
93.07024	3.7
95.04979	1.1
95.08578	3.1
97.02859	6.6
97.06487	0.3
99.04441	1.0
101.02351	2.1
103.03947	0.4
105.07056	1.4
107.04967	0.4
107.08566	1.9
109.02877	1.0
109.10149	1.6
111.08051	0.3
115.03946	0.4
117.07025	0.4
119.08573	1.2
121.10117	1.6
123.11710	0.3
127.03899	1.6
129.07088	0.3
131.08569	1.1
133.10167	1.1
135.11641	0.4
145.05016	0.5
145.10133	1.2
147.11671	0.4
149.09624	0.3
149.13283	0.2
170.50542	0.2
171.11684	0.3
185.04247	0.4
193.12289	0.9
203.05304	1.0
216.52092	0.3
243.08325	2.3
267.15887	0.4
269.16434	0.3
283.15146	3.7
313.27490	0.3
335.25879	1.0
337.27396	0.3
339.17844	0.4
347.09442	2.8
363.09085	0.3
365.10556	1.0
405.13571	7.3
453.33841	1.2
501.22955	6.0
519.29144	7.7
618.63098	0.3
663.28088	4.6
681.34479	9.6
709.10651	0.3
779.45020	2.4
941.50598	100.0
942.50684	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	941.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	3.3
69.03420	3.2
69.07054	1.0
71.01343	0.4
71.04984	0.6
73.02895	3.8
79.05475	2.8
81.03395	3.8
81.07030	3.5
83.04957	0.2
83.08630	0.6
85.02887	5.4
87.04459	0.3
91.03928	3.0
91.05453	2.8
91.22270	0.3
92.08965	0.4
93.07011	2.9
95.04976	1.5
95.08621	1.6
97.02870	6.0
97.06522	0.4
99.04451	0.9
101.02380	1.4
105.06991	1.9
107.04967	0.3
107.08578	1.8
109.02892	1.0
109.06538	0.5
109.10163	1.0
111.08107	0.3
114.36945	0.2
119.08575	1.1
121.10153	1.8
123.11721	0.3
127.03868	2.0
129.05475	0.3
129.07013	0.5
131.08594	1.6
133.10164	1.1
137.69116	0.3
145.04977	0.3
145.10194	0.3
147.11714	0.9
149.09645	1.4
157.10193	0.4
159.34724	0.2
175.11153	0.4
185.04250	0.6
189.81056	0.2
193.12285	1.3
203.05345	0.5
225.53735	0.3
243.08348	2.3
259.07901	0.3
265.71039	0.2
267.15979	1.0
269.12546	0.3
283.14990	2.5
302.62488	0.2
335.25742	0.5
339.14102	0.3
339.17902	1.0
346.23853	0.3
347.09354	3.4
354.51035	0.2
365.10648	1.0
405.13562	7.2
405.18503	0.4
468.99536	0.3
469.20273	0.5
501.22980	11.1
519.29236	5.4
554.24036	0.3
617.40118	0.3
663.28326	9.3
681.34497	5.4
779.45587	3.2
941.50592	100.0
942.50293	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	940.5833
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	19.2
69.07072	4.5
71.08617	19.7
79.05479	9.0
81.07040	28.6
83.04979	30.0
83.08592	7.3
85.02892	8.3
85.10168	6.5
91.05440	4.7
92.08867	39.1
93.07020	19.0
95.08567	19.2
107.08553	7.9
109.10141	8.8
111.04437	66.4
111.08066	14.7
115.03931	6.6
119.08553	6.9
121.10109	24.1
129.15192	4.0
135.11674	22.1
145.10112	14.5
146.99945	4.0
149.09569	4.6
153.12766	37.3
163.11137	53.3
173.09599	7.1
181.12215	47.4
191.10614	43.3
209.11668	9.9
219.19821	3.9
227.12770	35.3
283.15359	23.0
315.17996	83.1
336.53110	3.9
341.30411	92.7
367.98706	5.0
451.93295	4.1
534.05103	4.4
567.42487	19.1
581.44006	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	940.5982
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	93.6
69.03410	3.8
69.07047	25.8
71.04994	2.7
73.02886	8.9
79.05469	77.0
81.03390	2.0
81.07034	100.0
83.04961	2.1
83.08600	10.5
85.02877	24.1
85.06483	1.7
91.03918	16.4
91.05456	47.4
92.08776	3.7
92.09340	3.3
93.07016	78.5
95.04972	10.5
95.08581	87.1
97.02859	16.7
97.06478	3.5
97.10129	2.0
99.04389	2.2
105.06357	2.4
105.07011	42.8
107.08572	52.4
109.06505	2.4
109.10133	35.0
111.08022	2.2
117.06969	16.4
119.08545	30.7
121.10117	34.3
123.11687	9.6
127.03885	2.8
129.06941	1.9
131.08533	25.3
133.10109	26.1
135.11671	30.2
137.13194	1.9
143.08554	2.3
144.06537	1.5
145.04987	3.0
145.10101	23.5
147.11626	14.1
149.13235	15.6
157.10104	2.2
159.11649	17.1
161.13191	11.8
163.05963	3.0
163.14702	3.5
170.64702	1.5
171.11574	2.1
173.13196	9.5
175.14772	3.2
185.13200	2.8
187.14784	5.5
197.13237	2.3
199.14754	2.0
229.19391	3.0
243.21031	1.6
245.18962	3.4
247.20486	8.8
259.20514	2.7
261.22092	13.7
308.51752	1.6
319.22415	2.2
321.24121	59.4
323.25763	9.4
333.24243	2.9
335.25732	55.0
337.27359	8.3
393.00708	1.6
507.41656	6.1
581.45587	27.7
599.46533	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	940.583
Annotation	Unknow
Peak:m/z	Relative Intensity
66.51098	1.4
67.05487	27.8
69.03418	2.4
69.07055	33.3
71.04980	1.6
71.08613	7.0
73.02882	2.0
76.26105	1.6
79.05470	18.9
79.95187	1.7
81.02926	3.5
81.03400	82.1
81.07034	31.7
83.04967	4.4
83.08597	35.1
85.02885	7.7
91.03976	2.0
91.05470	18.0
93.07023	19.3
95.04950	26.6
95.08581	28.6
97.02876	3.4
97.06491	1.9
97.10160	16.7
105.06441	1.7
105.06987	13.3
107.04926	8.7
107.08578	9.7
109.06519	2.6
109.10161	17.0
111.08062	7.8
111.22425	1.8
119.08556	16.7
121.06508	2.6
121.10134	13.1
123.11697	6.8
125.09583	2.2
129.07001	9.0
131.08557	12.6
133.06516	3.4
133.10091	6.6
135.11676	9.7
145.10104	1.8
147.08044	1.9
147.11705	3.5
149.09627	8.0
149.13223	2.3
157.10138	11.7
163.05975	2.9
163.11127	2.7
175.11128	12.8
184.07309	2.1
193.12222	28.8
265.25113	1.7
267.15860	100.0
267.74365	1.8
273.14676	2.5
339.28867	93.5
457.36926	2.2
488.45908	1.8
531.40344	90.2
549.41254	19.6
573.40997	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	939.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	4.1
69.03415	4.2
69.07061	1.1
70.69348	0.3
71.01348	0.5
73.02900	3.5
79.03898	0.3
79.05478	3.2
81.03409	3.2
81.07027	4.2
81.07419	0.3
83.04980	1.8
83.08613	0.7
85.02885	5.6
91.03930	3.5
91.05477	1.8
92.08972	1.4
93.07013	3.0
95.04962	1.2
95.08566	2.6
97.02865	6.5
97.06541	0.5
99.04453	1.2
101.02374	1.7
103.03956	0.5
105.07058	1.2
107.08575	1.6
108.14645	0.3
109.02898	1.2
109.10159	1.9
111.04435	3.2
111.08083	0.7
114.37151	0.3
115.03941	0.6
117.06948	0.4
119.08598	1.3
120.47138	0.3
121.10099	2.5
127.03896	1.5
131.08580	0.7
133.10120	0.4
135.08084	0.3
135.11652	2.2
145.05003	0.5
145.10144	1.3
147.11707	0.6
149.09734	0.3
153.12766	1.8
163.11131	2.6
181.12146	2.2
184.07349	0.5
185.04266	0.6
191.10651	2.4
191.83286	0.3
203.05331	1.2
209.11824	1.2
227.12776	2.2
243.08321	2.3
267.15915	0.6
281.13565	5.5
337.16367	1.9
337.27390	1.7
338.27747	0.3
347.09467	2.8
363.08783	0.4
365.10663	1.4
405.13498	7.4
499.21393	10.4
519.29260	6.3
529.39154	0.5
530.38977	0.5
547.40210	1.2
548.40234	0.5
615.38086	0.5
661.26813	7.2
681.34167	4.8
777.43866	1.7
939.48956	100.0
940.48816	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	939.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	4.1
69.03415	5.2
69.07062	0.9
71.01330	0.4
71.04980	0.6
73.02895	5.4
79.05464	3.5
81.03381	2.2
81.07032	4.3
81.07481	0.4
81.10593	0.2
83.04964	1.2
83.08627	0.3
85.02885	8.4
85.03363	0.4
87.04469	0.4
91.03925	4.8
91.05473	1.4
92.08994	1.9
93.07016	3.7
95.04926	0.8
95.08591	2.3
97.02872	7.4
97.06493	0.3
99.04456	1.6
101.02361	2.1
105.07030	1.2
107.08565	2.3
109.02872	0.5
109.10178	1.2
111.04424	2.5
111.08053	0.5
115.03923	0.9
117.07001	0.4
119.08583	1.4
121.10136	2.4
126.23357	0.3
127.03876	2.5
131.08592	1.2
133.10136	0.3
135.11678	1.8
136.83049	0.3
145.04907	0.4
145.10162	1.1
145.63719	0.3
147.11688	0.3
149.09621	0.3
153.12750	1.0
163.11220	1.6
163.80730	0.2
173.09673	0.3
173.13344	0.3
181.12285	1.5
185.04225	1.1
191.10722	1.3
203.05359	1.1
227.12866	1.3
243.08353	2.0
259.07904	0.3
281.13531	9.8
281.16446	0.4
312.79996	0.3
333.15143	0.4
335.26007	0.5
337.16260	1.2
347.09366	2.7
363.09164	0.5
365.10736	1.3
404.22433	0.2
405.13486	8.1
405.18451	0.4
499.21466	7.1
499.28131	0.4
519.29205	7.9
562.45575	0.3
661.26392	4.3
681.34424	9.1
777.43640	1.5
939.48993	100.0
940.49084	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	936.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	2.6
65.23893	0.5
67.05492	61.1
69.03410	4.5
69.07053	13.6
71.04989	4.7
73.02515	0.6
73.02892	3.7
73.28782	0.6
77.03882	0.7
78.84303	0.7
79.05474	51.9
81.03398	100.0
81.07038	67.0
83.04955	6.7
83.08109	1.0
83.08601	23.9
85.02889	9.2
85.06511	2.8
91.03934	7.4
91.05463	39.1
92.09112	3.5
93.07020	56.6
95.04946	35.1
95.08581	47.7
97.02870	7.1
97.06521	5.6
97.10150	7.9
99.04464	0.8
99.08060	1.3
105.04478	0.7
105.07014	34.1
107.04944	9.4
107.08578	31.2
109.02892	0.6
109.06504	6.2
109.10143	23.5
111.04422	1.3
111.08054	6.0
115.05407	1.4
117.06991	10.6
119.04881	1.1
119.08557	27.7
121.02879	0.6
121.06486	6.2
121.10125	26.4
123.04388	2.7
123.08065	5.3
123.11694	6.4
125.09614	4.6
127.03855	1.0
129.06975	14.2
131.08543	23.8
133.06470	5.2
133.10101	15.9
135.08015	2.9
135.11667	15.8
137.09590	2.6
137.13199	1.3
139.11163	0.6
142.07762	2.5
143.08530	3.8
145.04921	2.3
145.06473	1.1
145.10114	14.2
147.04379	1.0
147.08051	5.7
147.11661	15.7
149.09584	8.3
149.13246	7.3
151.11192	1.0
155.08546	1.1
157.10124	14.2
159.11667	8.7
161.13257	7.3
163.06026	2.2
163.11121	3.3
163.14751	2.9
165.12715	3.5
169.10008	1.9
171.07980	0.6
171.11674	2.5
173.09808	0.6
173.13206	8.4
174.14510	0.7
175.11156	10.5
175.14787	1.2
177.12769	1.0
181.10051	0.7
183.11752	1.1
185.13220	3.0
187.11102	0.7
187.14799	3.4
189.11153	3.0
189.16229	0.6
193.12230	21.8
195.11703	1.0
197.13239	2.8
198.55553	0.8
199.14789	0.7
201.16354	1.3
207.13675	1.2
211.13153	1.0
219.13708	0.6
227.12682	5.9
235.13229	2.5
243.21007	3.9
249.14743	3.0
259.13272	1.3
261.22067	15.7
267.15851	76.5
277.14493	0.6
279.23218	0.9
283.23758	0.7
299.23645	1.0
301.14392	1.4
301.25165	5.7
309.16873	5.0
317.24750	1.4
319.15408	0.7
335.25739	59.7
336.26007	1.0
363.25293	0.7
407.23904	0.9
417.31641	0.8
421.25601	2.6
425.34012	0.8
435.27170	2.3
435.32510	4.0
443.28516	0.6
453.33380	6.5
471.34503	2.8
509.35892	2.6
527.37231	59.3
528.37732	1.1
536.08551	0.7
545.38269	78.8
546.38263	2.6
559.39618	2.9
569.38342	7.6
577.40741	2.7
587.39410	1.0
611.38812	1.5
623.39197	1.4
635.39575	4.3
653.40253	2.3
671.41235	3.8
754.63806	0.7
790.88538	0.7
852.26923	0.8
908.09106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.7
67.05492	70.2
69.03408	4.4
69.07056	16.5
71.04971	3.8
72.89512	0.6
73.02903	3.4
79.05473	58.4
81.03398	100.0
81.07038	77.5
83.04967	8.2
83.08601	25.1
85.02885	9.7
85.06512	3.5
91.03924	7.2
91.05460	43.2
91.05929	0.7
91.06059	0.8
92.08659	3.1
92.09300	4.4
93.07020	62.9
95.04942	35.0
95.08581	57.1
97.02891	6.7
97.06516	5.5
97.10143	6.3
99.04430	0.8
99.08088	1.4
105.04588	0.7
105.07014	34.2
107.04954	9.6
107.08576	34.6
109.06506	6.8
109.10144	23.0
111.04388	1.1
111.08071	7.8
113.97868	0.7
115.05446	1.6
117.06992	11.1
119.04883	0.8
119.07716	1.2
119.08559	33.2
121.06512	5.7
121.10111	30.6
123.04401	3.7
123.08017	1.5
123.11680	5.5
125.09604	5.1
128.06215	0.7
129.06964	13.1
131.08542	24.3
133.06496	5.2
133.10123	18.4
135.08017	3.0
135.11674	16.5
137.09599	1.5
140.53741	0.8
141.06847	0.9
142.07745	4.3
143.08525	3.4
145.04886	1.6
145.06494	1.2
145.10120	13.3
147.04355	0.9
147.08032	3.4
147.11653	16.7
149.09593	6.3
149.13228	10.0
153.73138	0.8
157.10107	14.5
159.11650	11.5
161.13257	7.2
163.05984	1.0
163.11119	4.0
163.14821	4.3
165.12764	1.4
169.10130	1.7
171.11656	1.8
173.13200	8.4
175.11145	11.3
175.14725	1.4
177.12750	1.0
183.11623	1.0
185.13286	1.4
187.14857	4.4
189.11180	1.4
193.12209	23.7
195.11838	0.9
199.14613	0.8
201.16406	0.9
211.13219	1.2
218.43454	0.8
227.12733	6.2
235.13223	1.7
243.21039	5.4
249.14845	1.4
254.29120	0.8
261.22116	17.8
267.15860	68.1
268.16183	1.1
301.14270	1.7
301.25055	6.0
309.16934	3.6
317.24512	0.9
335.25748	75.2
417.26208	1.2
421.25659	4.0
435.27246	1.8
435.32465	3.1
453.33826	5.7
471.34491	4.6
509.36041	0.9
527.37225	74.1
528.37390	3.1
545.38263	78.4
546.38623	1.8
559.39587	1.6
569.38330	8.8
577.40320	1.1
587.39307	3.5
611.39551	1.4
623.38971	4.4
635.38843	2.9
653.40277	3.3
671.41266	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	936.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	3.6
67.05491	75.9
69.03421	13.9
69.07056	39.3
70.72227	1.2
71.04965	6.8
71.71130	1.0
73.02879	5.9
79.05473	86.7
81.03397	97.0
81.07037	87.1
81.07393	1.4
81.07533	1.6
83.04961	33.8
83.08604	39.1
85.02887	53.9
85.06512	4.7
91.03950	8.3
91.05457	89.9
92.08877	3.1
92.09360	1.4
93.06423	2.6
93.07019	69.0
95.04948	46.4
95.08582	39.8
97.02863	16.3
97.06511	18.6
97.10149	26.0
99.04420	1.9
99.08073	4.6
100.49243	1.0
103.05428	1.6
105.07011	75.5
107.04945	27.5
107.08581	52.8
109.02859	4.8
109.06500	14.6
109.10146	18.9
111.04417	5.5
111.08051	16.1
113.05978	2.5
115.05434	4.4
117.06985	20.9
119.08559	57.2
121.06481	7.2
121.10108	24.2
123.08032	7.4
123.11672	7.4
125.09605	21.6
127.03889	6.8
128.06213	2.1
129.06975	25.2
130.07739	1.3
131.08540	39.6
133.06462	7.6
133.10101	37.1
135.08031	6.6
135.11661	10.0
137.09596	5.6
141.07007	2.0
142.07774	7.8
143.08510	9.0
145.04910	1.9
145.06480	1.7
145.10115	22.1
147.08054	5.3
147.11664	37.1
149.09593	27.5
149.13200	6.7
151.11124	1.5
153.09108	1.6
154.07729	1.2
155.08530	5.8
157.10103	27.3
159.07973	1.4
159.11679	14.2
161.09605	2.5
161.13235	5.4
163.06007	1.2
163.11131	12.9
165.12708	5.7
169.10106	5.0
171.10240	1.3
171.11635	5.0
173.09598	1.1
173.13229	6.8
175.11124	16.8
177.12747	2.5
179.14214	1.5
183.11629	5.5
185.43779	1.2
187.11128	2.1
189.11136	8.2
193.12219	51.9
197.13249	1.8
205.12073	1.1
211.13249	50.0
215.17923	1.6
227.12724	23.2
229.14236	1.7
229.19429	2.6
239.17856	2.5
247.20534	1.3
257.18967	7.6
267.15848	21.7
269.17371	5.9
275.20001	39.8
285.16873	54.1
316.32333	1.1
331.22665	2.6
349.23618	39.7
354.26962	1.2
363.63556	1.2
413.21484	1.5
421.25241	1.1
437.25204	2.6
439.26749	10.7
447.26920	5.6
455.26440	8.5
461.28766	16.3
463.30045	1.9
465.28357	6.7
479.29944	33.6
494.43613	1.4
523.33862	2.2
541.35107	43.0
545.89453	1.2
559.36218	100.0
577.37299	12.4
623.34009	2.4
639.22180	1.5
703.40002	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03881	2.1
67.05489	62.6
67.05834	2.4
69.03372	2.4
69.07053	14.4
71.04987	3.3
71.08563	0.5
73.02847	2.2
76.72326	0.4
79.05472	44.5
81.03353	2.3
81.07034	54.7
83.04963	26.1
83.08601	9.7
85.02882	10.7
85.06535	4.4
85.06973	0.8
87.04402	2.3
91.03931	4.1
91.05457	23.4
93.07018	59.4
95.04416	0.4
95.04945	7.2
95.08580	43.4
97.02871	5.1
97.06501	9.8
97.10086	2.2
99.04444	6.6
99.08009	2.8
101.02304	0.5
105.04459	0.7
105.06370	0.7
105.07008	14.0
107.04956	3.9
107.08572	30.1
109.02824	0.9
109.06418	2.3
109.07125	0.5
109.10136	22.9
111.04423	66.5
111.08060	22.6
115.03895	8.5
117.06988	10.6
119.07742	0.6
119.08550	16.5
121.06498	3.2
121.10114	37.1
121.95911	0.5
123.08010	1.0
123.11684	5.7
125.05987	4.5
125.09524	0.5
127.03848	0.9
129.05411	1.6
129.06938	3.1
131.07645	0.6
131.08539	13.9
133.10103	8.7
135.08054	1.5
135.11664	35.7
137.09552	0.8
137.13193	1.0
139.07515	0.8
143.08481	0.7
145.04932	0.5
145.06381	0.6
145.08984	1.0
145.10101	24.5
147.08000	0.7
147.11684	8.3
149.09607	4.8
149.13228	4.2
151.11168	0.5
151.14554	0.5
153.12712	31.7
155.08487	1.1
157.10039	0.5
159.11655	3.9
161.09514	0.5
161.13191	2.5
163.06010	0.5
163.11140	44.6
163.14728	2.1
164.11501	0.5
165.12662	0.6
173.09598	9.9
173.13179	3.7
175.14728	0.7
177.16267	0.6
181.12187	46.1
187.14719	1.9
191.10626	34.8
199.13257	0.7
209.11702	12.7
214.22218	0.5
223.13211	0.5
227.12735	29.5
241.14310	2.4
243.20964	2.7
261.22110	12.3
283.15314	14.4
315.17957	61.3
317.24719	2.9
335.25729	100.0
336.26126	2.2
525.35638	0.5
543.36542	6.0
543.91437	0.5
561.37799	21.4
561.46521	0.8
574.38202	0.6
575.39313	95.6
576.39581	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	2.3
67.05488	70.1
69.03415	4.1
69.07051	13.4
69.91401	0.5
70.94247	0.5
71.04960	5.3
73.02885	3.3
77.03916	0.5
79.05470	44.1
81.03392	2.3
81.07032	58.8
82.07420	0.5
83.04958	39.5
83.08601	10.8
85.02881	15.4
85.06506	5.9
87.04448	3.3
89.38666	0.5
91.03933	5.8
91.05455	26.2
92.08949	2.2
93.03402	0.5
93.07018	59.5
95.04937	9.1
95.08576	39.3
95.09197	0.9
96.04462	0.8
97.02867	6.1
97.06505	10.5
97.10145	3.6
99.04436	7.4
99.08077	3.2
101.02359	0.7
105.07012	14.6
107.04929	4.6
107.08571	39.1
109.02884	0.9
109.06492	3.0
109.10137	28.4
109.72191	0.6
111.04419	95.3
111.08054	31.3
113.05965	1.1
113.25458	0.6
115.03905	15.4
117.06994	9.5
119.08551	20.6
121.06506	3.9
121.10114	44.4
123.08038	0.6
123.11689	4.1
125.05963	6.2
125.09614	0.6
127.03881	2.9
129.05450	2.9
129.06975	2.7
130.07802	1.1
131.08537	18.8
133.10081	6.8
135.08031	2.8
135.11662	39.4
137.09599	0.8
137.13147	0.7
139.07591	0.5
143.08562	1.3
145.04921	1.1
145.06447	0.8
145.10094	30.5
147.08064	1.0
147.11676	11.1
149.09599	8.2
149.13231	4.9
153.12711	42.1
155.08534	4.4
159.11636	5.2
161.09589	0.7
161.13240	3.7
163.11139	63.3
163.14793	2.4
173.09560	16.0
173.13213	3.2
175.14771	0.9
181.12184	64.7
182.12628	1.0
187.14828	2.4
191.10620	49.0
199.13387	0.7
201.16357	0.7
209.11678	19.4
223.13249	0.7
227.12727	45.9
241.14288	5.5
243.21072	4.2
252.42641	0.7
261.22086	14.2
283.15311	25.5
315.17953	100.0
316.18332	2.3
317.24689	2.8
335.25723	94.2
336.26077	2.7
391.01581	0.6
405.74960	0.6
468.45172	0.6
501.35754	0.7
543.36621	9.0
561.37628	18.2
575.39276	90.4
576.39301	2.2
593.40259	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01506	3.0
67.05492	74.4
69.03407	8.2
69.07043	22.7
71.04977	8.1
73.05920	3.3
79.05464	61.3
81.03400	66.5
81.06593	6.0
81.07034	88.8
83.04970	25.7
83.08595	21.7
85.02884	21.8
85.06516	5.9
91.05460	91.8
93.07023	61.4
95.04943	47.7
95.08598	27.9
97.02862	7.7
97.06529	17.0
97.10148	3.4
105.07013	74.6
107.04948	16.0
107.08566	51.1
109.06481	15.3
109.10137	53.6
111.08089	7.0
113.05970	4.7
117.06984	5.9
119.08543	36.7
121.06490	4.3
121.10110	16.8
123.11629	6.0
125.09580	4.0
129.06970	17.0
131.08521	32.5
133.06436	5.6
133.10089	70.0
135.08038	4.4
135.11696	4.6
145.10117	6.4
147.08066	4.1
147.11678	15.7
149.09598	17.0
151.11160	22.2
157.10118	22.2
159.11644	3.8
171.11673	7.1
175.11150	17.0
193.12170	41.4
211.13257	35.2
228.13382	4.1
253.14256	65.8
267.15781	14.6
273.18423	18.0
285.16885	32.3
287.96188	3.7
291.19522	30.6
347.22165	6.5
365.22949	26.6
463.26651	20.6
481.27737	21.4
557.34662	41.7
575.35754	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	934.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	2.0
67.05495	53.8
69.03416	14.2
69.07058	35.6
71.04967	7.5
73.02889	4.7
79.05476	56.6
81.03402	47.5
81.07039	63.4
83.01337	3.6
83.04971	20.7
83.08601	28.2
85.02893	28.3
85.06529	1.8
91.03931	6.7
91.05461	47.7
92.08884	6.0
93.07029	53.1
95.04944	32.0
95.08573	26.7
96.89858	1.0
97.02870	19.8
97.06503	12.1
97.10146	18.9
99.04437	2.0
99.08085	1.2
105.03386	1.7
105.07014	37.5
107.04938	18.3
107.08575	31.9
109.02916	1.6
109.06498	11.9
109.10144	12.7
111.04455	1.9
111.08065	8.3
115.05454	1.3
116.06296	1.7
117.06997	17.7
119.04894	3.4
119.08556	31.5
121.06462	9.0
121.10107	17.7
123.04432	4.2
123.08038	11.1
123.11643	1.8
125.05963	1.0
125.09608	11.0
127.03923	2.2
129.06972	13.5
130.07777	1.8
131.08546	20.5
133.06447	7.6
133.10118	17.8
134.07251	0.9
135.08049	5.6
135.11659	9.4
137.09544	6.9
141.06990	1.1
142.07809	4.1
143.08540	4.5
145.06485	1.7
145.10104	17.1
147.04462	1.2
147.08029	10.7
147.11667	15.8
149.09587	9.9
149.13252	4.9
151.11122	1.5
153.09163	0.9
153.12718	1.4
157.10106	12.5
159.07959	1.4
159.11644	7.5
161.09631	3.6
163.11160	13.2
165.09102	1.0
165.12721	1.0
171.11668	1.8
171.71738	0.9
173.09561	1.6
175.11128	11.3
177.12744	1.8
189.11224	4.1
189.12769	1.2
193.12199	22.5
205.12312	1.1
211.13232	17.4
211.14983	1.1
223.13261	21.3
227.12718	9.3
249.14824	4.9
255.15793	1.0
257.19052	3.5
267.15875	18.0
269.17453	7.0
273.18454	12.9
275.20016	6.8
283.12543	1.0
283.15335	24.6
285.16895	26.4
291.19498	100.0
292.19791	1.5
347.22299	1.1
349.23657	7.9
365.23154	39.3
459.27216	5.2
463.26810	10.0
477.28375	36.8
495.29031	1.5
517.31195	1.9
539.33661	4.1
541.98547	1.0
557.34705	54.2
558.34406	1.1
575.35706	94.0
576.36407	1.2
591.27582	1.0
621.32428	1.1
639.33673	1.6
719.40179	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	64.3
69.03413	4.7
69.07048	18.1
71.04971	10.7
76.57046	2.5
79.05471	61.3
81.03401	57.5
81.06596	4.4
81.07042	78.6
83.04968	22.2
83.08612	21.2
85.02870	23.7
85.06515	5.0
91.05457	81.5
92.08944	12.8
93.07027	52.0
95.04948	43.1
95.08586	33.9
97.02860	10.7
97.06505	6.1
97.10149	3.2
105.03371	4.5
105.07017	61.5
107.04929	18.4
107.08575	45.1
109.06474	18.3
109.10148	49.4
111.04443	3.0
111.08080	3.4
111.87720	2.8
113.06001	2.7
117.07001	13.9
119.04953	3.1
119.08576	33.0
121.06483	13.2
121.10117	13.8
123.04375	4.0
123.08065	4.0
123.11705	10.3
129.06982	16.7
131.08575	28.7
133.06459	6.1
133.10098	68.0
135.08051	4.4
135.11661	5.5
137.09616	3.7
142.07726	4.0
143.08582	4.6
145.10115	16.0
147.08046	5.4
147.11682	20.8
149.09576	14.1
151.11156	23.5
157.10094	23.7
159.07986	5.0
159.11562	3.6
161.09610	5.2
163.03841	2.7
163.11188	5.2
171.11641	4.4
175.11082	11.7
179.10721	2.8
193.12144	23.5
211.13293	28.8
231.30154	2.7
233.62881	2.4
253.14291	88.7
267.15961	13.5
273.18491	18.7
277.84982	2.5
285.16885	26.0
291.19446	30.9
334.54987	2.7
347.22006	5.9
365.23157	37.1
463.26755	13.3
477.67642	2.9
481.27722	5.1
539.33600	4.9
557.34448	41.0
575.35663	100.0
791.67224	3.2
889.58191	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	934.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.7
65.76810	0.7
67.05483	1.3
69.03416	100.0
70.03733	0.9
71.01337	1.0
73.02538	0.6
73.02892	5.5
75.04449	5.1
79.05449	0.7
81.03400	6.4
83.04960	4.9
85.02889	80.3
87.04453	69.4
91.03922	1.0
91.05468	4.8
92.08778	3.3
93.03355	0.9
95.04955	4.0
97.02869	78.6
98.06028	1.0
99.00806	4.6
99.04449	3.8
101.02335	0.8
103.03935	0.9
105.03357	1.4
105.07004	7.9
107.04933	0.7
108.04433	0.6
109.02853	4.9
111.04430	5.7
112.04769	1.0
115.03911	96.7
119.04913	9.4
120.05254	1.4
121.02872	2.6
123.04449	1.1
124.05199	15.3
127.03884	13.4
129.05441	1.6
129.06993	1.3
133.04950	80.0
133.06410	7.6
133.10146	1.1
137.02324	1.4
137.05952	21.1
139.03906	3.0
144.06548	1.1
145.04927	10.0
145.06502	1.4
147.04399	29.3
148.04698	5.8
150.07602	12.4
153.01837	1.6
154.02342	0.7
157.04947	1.0
157.06459	2.7
161.05965	1.1
162.07568	3.4
163.06029	2.7
163.07428	0.7
165.01817	1.1
165.05475	0.9
165.09077	39.9
169.04910	1.4
174.06677	1.0
177.05469	0.7
177.09012	1.0
180.08734	1.7
189.09035	4.8
201.09067	5.6
207.10139	4.0
215.10635	1.2
223.05898	1.1
231.10172	3.5
241.07021	4.7
243.05026	1.3
243.10144	4.5
258.04984	0.9
259.08063	14.6
261.11176	5.6
273.06116	1.1
277.09125	4.8
287.05435	54.9
288.05756	23.8
289.06049	1.1
295.10242	12.6
312.13089	1.1
349.93414	0.9
476.21292	3.0
742.46124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.9
67.05488	5.3
68.99760	1.1
69.03412	10.8
71.01344	0.3
71.04960	1.0
73.02896	7.1
78.07835	0.1
79.05463	0.3
81.03394	6.2
83.01343	0.2
83.04959	18.8
85.02885	11.8
87.04452	1.7
91.05453	5.1
92.09020	0.8
93.03376	10.8
95.04948	3.1
97.02862	4.6
97.03418	0.3
99.00781	4.2
99.04425	2.0
101.05936	0.2
105.03343	1.1
105.22717	0.2
107.04939	2.4
109.02863	3.7
111.00806	0.9
111.04419	26.2
113.02344	0.3
115.03899	0.9
117.01869	0.2
117.06985	0.2
119.04916	8.4
120.05676	0.3
121.02833	7.9
123.04448	0.2
125.02355	0.4
127.03884	7.5
129.05447	11.2
131.04878	0.2
133.02814	0.6
137.02307	0.8
137.05919	0.2
139.03874	13.4
141.01794	0.2
144.55513	0.2
145.02829	0.3
145.04912	1.6
145.06494	0.3
146.61310	0.2
147.04379	5.8
147.06288	0.2
152.06218	0.2
153.01790	4.4
157.04941	9.8
157.06316	0.7
163.03833	0.2
165.01772	2.4
166.07762	0.2
167.08536	0.3
167.43372	0.2
169.06447	0.2
175.05977	7.8
177.05473	0.2
177.06938	0.3
183.02870	1.0
185.05917	0.4
193.06993	0.4
195.08012	0.8
209.09602	0.2
211.07503	0.2
212.08278	1.0
213.05603	1.4
213.09052	4.8
219.08032	0.4
223.07426	0.3
231.06432	0.7
237.09093	1.6
241.04906	0.9
243.04915	2.9
247.07491	1.1
258.05115	1.5
259.05771	0.3
265.08624	1.3
273.05902	2.8
286.04752	0.2
287.05423	100.0
288.05685	1.2
293.08038	1.1
311.08899	0.3
329.06442	1.5
353.10455	0.3
366.11282	0.2
399.09015	0.7
417.10123	2.4
435.11176	1.1
455.12726	0.2
481.23795	0.2
481.73181	0.2
611.17688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6294
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.6
67.05492	56.9
69.03418	4.5
69.06715	0.8
69.07056	16.7
71.04972	1.0
71.08243	1.3
71.08614	28.8
71.22142	0.6
73.02901	7.6
79.05473	34.9
81.03407	0.9
81.07037	62.5
83.04957	1.2
83.08600	15.1
85.02888	23.8
85.06520	1.3
85.10170	17.2
89.06009	1.5
91.03935	15.3
91.05459	17.2
92.09081	0.9
93.06407	0.8
93.07020	44.9
95.04935	4.3
95.08585	61.0
96.04420	0.8
97.02872	12.8
97.06512	3.1
97.10149	6.1
99.04443	0.9
99.11710	0.8
105.04488	0.9
105.07012	14.5
107.08576	29.3
109.02885	0.7
109.06503	0.9
109.10143	30.6
111.08031	1.0
111.11669	0.8
117.06991	6.2
119.08569	12.9
121.10109	19.6
123.08043	1.0
123.11697	10.7
127.03931	4.6
128.49301	0.7
129.86731	0.7
131.08522	10.9
133.10092	9.9
135.11671	16.7
137.09599	1.0
137.13263	4.5
143.80214	0.6
145.04932	5.4
145.10100	7.3
147.11673	7.8
149.13223	10.8
154.72493	0.7
159.11676	5.7
161.13268	5.6
163.05963	5.2
163.14772	5.7
173.13176	6.4
175.14845	1.3
177.16440	1.1
187.14763	3.7
201.16353	1.4
239.23625	1.6
243.21053	8.6
257.24762	2.9
261.22070	40.8
313.27319	100.0
314.27692	1.0
317.24725	5.6
335.25748	88.6
573.48688	50.9
591.49841	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	932.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	2.5
67.05491	62.0
69.03418	6.0
69.07056	15.5
71.04969	2.7
73.02895	4.9
79.05473	42.0
79.05818	0.8
79.05945	0.7
81.03398	9.7
81.07037	67.4
81.68854	0.6
83.04962	4.7
83.08596	11.3
85.02888	30.4
85.06530	2.8
87.04448	1.2
88.23724	0.6
91.03937	7.7
91.05459	52.8
92.08778	3.9
92.09399	1.0
93.07021	60.1
95.04947	9.7
95.08582	48.6
97.02876	15.2
97.06480	4.3
97.10146	2.4
99.00839	0.7
99.04448	1.1
99.08037	0.7
99.29200	0.5
103.05453	2.8
105.07011	34.3
107.04942	6.3
107.08573	31.9
109.02862	13.4
109.06497	5.9
109.10145	19.8
111.04410	1.2
111.08047	5.2
113.02348	43.7
115.03925	0.6
115.05430	0.8
117.06993	8.4
119.04913	1.1
119.08559	22.5
121.06506	7.0
121.10118	20.1
123.04420	3.0
123.08051	3.2
123.11659	9.9
125.02325	0.6
125.09578	1.0
127.03911	4.1
128.06172	2.5
129.05406	4.8
129.06975	2.3
131.08534	13.3
133.06473	3.2
133.10106	69.9
135.08038	3.1
135.11662	12.6
137.09602	1.3
137.13225	0.8
143.08559	9.5
145.04945	2.6
145.06427	1.1
145.10115	9.2
147.08009	0.7
147.11707	5.4
149.09598	0.7
149.13261	6.5
151.11160	19.5
153.09070	1.4
157.10133	1.1
159.11662	5.9
161.09583	28.7
161.13165	4.4
163.06053	1.1
163.11165	0.9
163.14796	3.2
171.08006	4.1
171.11635	0.9
173.13158	5.2
175.14812	1.2
177.16365	0.7
179.10628	29.5
187.14725	1.0
189.09062	9.1
193.12178	2.5
207.10135	12.9
211.11528	0.6
211.13202	5.1
225.11115	4.9
227.12778	0.8
239.12782	3.4
243.20929	5.0
256.31470	0.6
259.20715	0.7
261.22092	13.5
281.13721	0.8
313.16388	81.2
315.23083	4.5
317.24573	3.0
333.23840	0.7
335.25732	100.0
336.26266	2.4
403.63611	0.7
449.30283	3.0
467.31403	6.4
485.32523	3.9
499.33408	0.7
513.35498	5.4
531.36548	2.7
541.26880	0.8
541.35120	24.6
542.35699	0.7
559.36383	8.9
573.37756	77.6
574.37634	1.0
591.38312	2.3
934.81274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	0.9
67.05490	51.1
69.03401	3.8
69.07055	10.7
71.01328	0.8
71.04965	3.2
73.02891	3.7
79.05470	35.6
79.42637	0.6
81.03391	10.0
81.07037	61.6
83.04973	5.3
83.08596	12.4
85.02886	30.2
85.06531	3.4
91.03429	1.1
91.03928	8.5
91.05456	50.9
92.09089	2.7
93.07021	44.8
95.04943	8.2
95.08582	36.8
95.09196	1.3
97.02877	13.0
97.06500	4.2
97.10126	3.4
99.04432	1.0
103.05451	2.6
105.07014	33.5
107.04941	5.8
107.08582	27.5
109.02853	11.8
109.06507	6.8
109.10137	16.8
111.04400	1.6
111.08072	4.7
113.02349	40.9
115.03915	0.9
117.06986	8.4
119.08549	18.4
121.06492	7.9
121.10113	14.7
123.04396	1.6
123.08031	1.6
123.11673	8.1
125.09631	1.0
127.03872	3.6
128.06168	2.7
129.05472	4.4
129.06969	3.6
131.08539	11.2
133.06454	3.6
133.10103	69.1
135.08020	3.3
135.11685	9.8
137.05945	1.0
137.09575	1.7
137.13232	0.9
137.59590	0.6
143.08527	7.4
145.04916	1.5
145.06421	1.3
145.10120	6.7
146.07245	0.8
147.08047	1.5
147.11708	4.8
149.13217	7.2
151.11153	18.9
153.07030	0.7
153.09032	2.7
157.77911	0.6
159.11639	5.0
161.09584	32.6
161.13231	3.8
163.05962	2.8
163.07445	0.7
163.14821	2.9
165.09102	1.2
171.08072	4.7
171.11647	0.9
173.13210	3.3
175.14803	1.6
179.10632	31.9
187.14775	1.3
189.09052	13.2
193.12219	2.4
207.10123	11.1
211.13274	6.7
225.11243	5.4
239.12759	5.1
243.20995	2.4
255.03677	1.0
259.20483	1.0
261.22076	13.4
281.13727	1.0
293.40515	0.7
310.96204	0.7
313.16394	100.0
315.23126	4.6
317.24713	0.9
335.25732	80.1
336.26080	1.0
439.31903	0.7
449.30359	1.1
467.31357	5.4
477.08191	0.8
485.32605	3.7
513.35565	3.0
523.34058	0.8
531.36694	2.7
541.35181	27.9
559.36182	8.9
573.37701	51.7
574.37646	1.3
591.38794	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	930.614
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	76.5
69.07054	57.6
70.40428	4.3
79.05482	52.3
81.07034	92.4
81.96086	3.8
83.08590	35.4
85.02880	25.8
90.61332	4.7
91.03938	21.9
91.05456	27.1
92.09005	29.8
93.07018	74.1
95.04952	4.4
95.08575	78.4
96.16868	4.5
97.02906	7.2
97.06495	3.7
97.10157	24.1
105.06995	17.5
107.08572	49.6
109.10140	28.0
117.07027	4.8
119.08575	9.4
121.10127	39.0
123.11707	9.3
127.03928	7.5
131.08530	10.0
133.10089	8.5
133.79602	4.2
135.11664	39.5
137.13324	4.3
145.04939	4.5
145.10100	7.7
149.13217	17.8
163.14705	4.9
204.10715	3.8
232.72757	4.0
243.21149	4.8
261.22086	27.7
311.25763	92.0
324.69879	4.3
335.25711	100.0
571.47015	46.0
589.47986	32.3
606.16827	5.1
745.58289	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	928.5829
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	22.0
67.60410	3.2
67.98862	2.8
69.07044	12.6
71.08616	23.6
76.55807	4.1
78.55868	2.9
79.05462	15.7
81.03398	85.5
81.07034	35.8
83.04996	3.0
83.08624	22.3
85.02896	7.9
85.10158	16.1
87.53900	3.0
89.06009	3.2
91.05452	16.9
92.09167	15.4
93.07021	16.5
95.04939	27.6
95.08591	27.6
97.02874	3.2
97.10127	5.4
102.94028	2.8
105.07011	18.2
107.04961	6.2
107.08578	6.1
109.10120	12.1
119.08554	18.5
121.10122	6.8
129.06969	14.2
131.08568	7.2
133.10147	3.3
135.43254	3.4
145.10120	5.2
147.11748	6.0
155.53687	3.1
157.10123	7.1
175.11168	13.4
177.18169	3.0
193.12259	28.7
267.15903	78.4
282.10205	3.7
327.28885	100.0
402.54608	3.5
519.40399	74.3
615.42212	5.5
957.84198	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	928.5993
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	2.0
67.05495	83.9
67.05852	3.4
69.07060	21.2
73.02898	3.7
74.35848	1.6
79.05470	44.7
81.07036	100.0
81.78504	1.6
83.04959	2.2
83.08615	13.7
84.32437	1.8
85.02899	23.1
85.06529	3.4
91.03942	13.7
91.05463	32.3
92.08636	1.7
92.09149	6.3
93.07026	48.0
95.08580	58.0
97.02857	14.8
97.06532	2.5
97.10154	8.2
99.04430	1.9
99.08068	2.6
105.07003	21.9
107.08564	28.8
109.10129	26.6
117.07023	3.7
119.08536	18.5
121.10109	23.0
123.11672	13.2
127.03877	3.8
131.08551	10.9
131.86623	2.0
133.10112	17.0
135.11678	17.7
145.04962	4.2
145.10101	10.1
147.11716	13.1
149.13231	9.1
159.11685	6.7
161.13261	7.4
163.06024	8.1
163.14793	3.3
171.11671	2.8
173.13263	3.6
201.16350	1.7
203.15707	2.0
215.17947	1.8
217.19482	3.7
228.95589	1.8
233.19000	3.0
238.36351	1.8
243.21104	3.8
259.20633	3.6
261.22089	12.9
266.90634	1.9
309.24182	53.5
311.25671	2.9
331.21021	1.9
333.24072	3.6
335.25708	68.2
337.27240	4.4
495.41818	2.4
569.45593	36.0
587.46637	50.5
759.05933	2.0
779.53485	2.0
928.55560	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	928.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	5.7
67.05489	3.0
67.24549	0.4
69.03419	4.5
71.04962	0.9
71.60175	0.4
71.77309	0.4
74.80077	0.5
75.04464	4.4
76.56672	0.4
77.03903	0.6
78.04684	2.8
79.05476	8.5
81.03402	10.2
81.07041	0.9
82.04149	0.8
85.02400	0.8
85.02881	10.4
89.03887	0.7
89.06020	0.6
89.43986	0.4
91.05461	16.5
92.09036	2.5
93.03391	10.0
93.07022	7.2
94.04146	0.5
95.04393	0.9
95.04948	14.6
95.08587	0.7
97.02853	3.1
97.06493	3.8
101.02319	0.5
102.04650	0.5
103.03957	0.7
103.05447	26.2
105.03371	55.6
105.04510	2.5
105.07008	13.8
106.03445	0.8
106.04158	23.8
106.83522	0.4
107.04932	14.9
108.04474	0.8
109.02858	5.2
109.06476	2.0
109.10117	0.5
110.03622	2.3
111.04425	3.9
115.05436	9.6
116.06145	0.6
117.03363	0.9
117.06995	7.4
118.04153	6.4
119.04927	3.5
119.08572	2.0
120.05769	0.6
121.02997	0.5
121.06477	30.3
122.03625	0.6
123.04397	9.9
123.08026	0.9
124.05170	4.2
125.05964	11.2
126.45322	0.5
127.03870	2.2
129.06981	2.4
130.04112	0.6
131.04897	25.1
131.08508	2.1
132.05670	2.1
133.02850	2.5
133.06465	15.1
134.03632	4.9
135.04381	3.1
135.08043	2.8
137.02345	0.6
137.05969	7.6
138.03047	0.6
138.06688	0.6
139.07529	2.1
141.06961	0.7
142.02589	1.7
143.04884	2.3
143.05934	0.6
144.05682	3.1
145.02840	2.0
145.06465	12.1
146.03610	2.5
146.07198	1.0
147.04405	2.5
147.08064	4.3
148.05176	16.9
149.05959	54.0
151.03923	4.7
151.07527	4.6
152.04689	3.6
152.08315	0.6
153.05453	6.8
153.06694	0.5
153.07109	0.5
153.09091	11.9
155.04915	0.9
155.06015	1.8
156.05626	0.6
157.06432	2.1
159.04335	1.1
159.08018	3.5
160.05183	2.2
161.05936	16.0
163.03914	3.6
163.07500	32.8
165.05438	4.0
165.06781	0.9
165.09041	0.6
166.06169	1.1
167.06999	97.9
168.07394	0.6
169.06351	0.8
171.06532	7.7
171.07939	0.8
172.05170	0.8
173.05952	13.4
174.06685	1.1
175.03891	0.7
175.07561	6.3
176.04637	3.3
177.05440	26.3
177.09013	0.7
178.06221	0.8
179.06950	2.8
179.08426	0.7
180.07793	0.6
181.04924	100.0
181.08498	22.2
183.06488	0.6
185.05888	1.1
187.07475	4.9
189.05420	2.0
189.06992	0.7
189.09065	0.7
190.06197	3.0
191.06993	92.9
192.07718	1.1
193.04929	1.1
193.08571	8.8
195.06508	4.9
199.07497	2.0
201.05463	3.1
201.68948	0.6
202.06212	0.7
203.06984	4.0
205.08490	7.1
207.06375	4.7
207.08197	1.1
207.10175	3.0
209.08051	99.8
211.07542	0.6
213.05479	0.5
217.08566	3.9
219.06435	1.2
219.08226	0.9
219.09995	5.1
221.08002	4.2
222.06795	0.8
224.08344	0.6
227.07037	0.7
232.07292	0.6
233.07997	10.3
234.06677	0.5
235.07420	3.1
235.09602	7.3
236.08270	1.1
237.05222	0.5
241.08580	1.0
245.07993	2.4
247.07446	0.7
249.07355	5.6
251.06934	0.9
252.07784	0.9
256.07370	0.5
259.09631	0.9
263.06573	1.1
263.09079	19.1
265.08408	1.0
265.10892	0.7
267.09964	4.2
271.09695	0.6
277.08386	0.5
279.10193	0.8
281.07861	0.7
283.09351	0.6
287.09042	5.9
293.08044	0.6
295.09546	1.9
297.11124	2.4
305.09839	0.7
307.09610	0.8
311.09195	0.7
324.09836	0.8
325.10580	2.2
327.12445	0.6
329.13608	0.7
337.10715	0.7
339.12195	1.8
352.09369	0.6
355.11523	0.6
357.13300	4.9
359.14606	0.8
383.14316	0.5
385.12552	6.3
387.14124	2.8
399.14005	3.4
401.15784	0.5
417.15350	31.1
427.13770	2.4
445.14471	1.1
597.22961	2.1
609.22699	2.2
683.23169	5.8
758.36462	0.6
798.17230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.5643
Annotation	Unknow
Peak:m/z	Relative Intensity
64.59254	1.3
69.07049	1.6
76.56053	1.3
81.86860	1.2
92.08998	10.6
95.45021	1.5
103.55522	1.5
113.12926	1.5
129.59174	1.6
287.07315	2.5
319.44601	1.4
601.24084	1.7
655.32849	2.2
761.67987	1.6
927.56317	100.0
928.56995	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	927.5648
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07069	1.8
83.65283	1.7
92.08646	5.6
92.09270	12.8
96.35348	1.6
103.29277	1.7
105.45789	1.6
110.89342	1.7
119.79736	1.5
245.82201	1.9
277.18518	1.9
287.07541	2.7
927.56323	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	928.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	5.3
67.05479	1.8
69.03419	5.0
69.07050	0.4
71.04964	0.6
73.02884	0.4
75.04474	3.4
77.03932	0.5
77.18359	0.3
78.04689	2.7
79.05470	8.1
80.05017	0.4
81.03400	9.9
81.07044	1.9
82.04176	1.6
83.04977	0.5
85.02888	9.8
89.03896	0.3
89.05991	0.5
91.05461	14.3
92.08835	2.0
93.03387	10.8
93.07025	6.5
95.01305	0.3
95.04947	13.7
95.08552	0.7
97.02872	3.8
97.06523	4.1
99.04411	0.5
102.04668	0.9
103.03939	1.7
103.05449	26.9
105.03375	48.4
105.04516	2.2
105.07012	12.5
106.03437	0.8
106.04158	24.0
107.04941	14.2
108.02047	0.5
108.04465	1.7
109.02866	4.5
109.06503	2.6
110.03673	2.8
111.04430	3.3
111.08095	0.4
115.03999	0.3
115.05438	8.5
116.06236	0.5
117.03338	0.7
117.07006	6.6
118.04142	7.4
119.04929	2.9
119.08571	1.3
120.05676	1.7
121.06484	28.1
122.03613	1.6
122.07275	0.4
123.04408	10.4
123.08032	0.7
124.05162	3.4
125.05961	10.9
127.03900	2.0
128.06215	1.8
129.06993	2.6
130.04088	2.4
131.04912	25.0
131.08580	0.7
132.05690	2.3
133.02843	2.2
133.06476	14.4
133.10077	0.4
134.03638	4.3
135.04405	2.7
135.08032	3.6
136.05159	0.4
137.05960	7.7
138.03114	1.4
138.06723	1.2
139.03891	0.5
139.07526	3.0
140.04689	0.3
141.06960	0.7
142.02617	1.6
143.04901	1.8
143.05965	0.5
144.05692	2.8
145.02777	0.9
145.06477	10.4
146.03629	1.7
146.07253	0.6
147.04410	2.2
147.08046	3.8
148.05171	15.4
149.05963	46.9
151.03854	4.1
151.07500	4.4
152.04674	2.7
152.08392	0.5
153.05446	5.9
153.09074	10.9
155.06020	1.5
155.07097	0.5
156.05698	0.8
157.06445	2.5
158.07248	0.4
159.04396	1.2
159.08011	3.0
160.05182	0.8
161.05957	13.8
162.06694	0.4
163.03850	3.7
163.07509	31.4
164.04634	0.5
165.05475	3.8
165.09041	0.5
166.06230	1.5
167.07007	93.8
171.04349	0.4
171.06523	6.0
171.07939	0.7
172.05128	0.6
173.05949	12.2
174.06662	1.7
175.07492	4.1
176.04649	3.5
177.05434	25.5
177.09074	1.7
178.06224	0.8
179.07030	3.3
180.07787	1.4
181.04930	84.1
181.08511	21.2
183.04486	0.4
183.06502	0.7
185.05914	0.5
187.07539	5.3
189.05438	2.6
189.06998	0.4
189.09074	0.8
190.06247	2.6
191.07001	79.6
192.07562	2.2
193.04909	1.4
193.08562	8.6
194.05724	0.4
195.06487	4.2
197.08110	0.4
199.07475	1.7
201.05460	2.4
202.06136	0.6
203.06982	4.3
205.06721	0.7
205.08568	7.7
207.06396	4.2
207.08107	1.6
207.09903	2.4
208.08856	0.4
209.08058	100.0
210.08475	0.8
213.05457	0.7
217.08569	4.4
218.05589	0.4
218.09364	0.4
219.06343	0.6
219.08147	1.1
219.09984	5.0
220.07143	1.3
221.06018	0.6
221.07957	4.3
222.06758	0.6
223.07559	0.7
224.08205	0.5
225.05461	0.5
225.07372	0.9
226.06235	0.4
227.07024	0.9
229.08614	0.4
231.06357	0.8
233.05795	0.7
233.07999	8.6
234.06712	0.8
235.07445	2.0
235.09633	6.2
236.08394	0.6
237.09137	0.9
241.08511	0.7
245.08022	2.6
247.07443	0.4
249.05202	0.5
249.07437	5.3
251.09053	0.4
252.07765	0.4
253.08492	0.4
255.06445	0.8
255.10214	0.5
257.08023	0.5
259.09607	1.6
262.06161	0.6
263.06787	0.8
263.09085	17.8
264.07730	0.7
265.08179	0.9
265.10654	1.6
267.08035	0.9
267.10095	2.5
269.08093	0.6
271.09518	0.6
276.07709	0.5
279.10089	0.7
280.07019	0.4
281.08179	0.4
283.09555	0.5
287.09055	4.7
291.06332	0.5
293.07748	0.5
295.09576	2.3
296.10312	0.4
297.11139	1.8
303.08438	0.4
305.10007	1.5
306.04831	0.4
307.09668	1.5
323.08932	1.2
324.09845	0.5
325.10638	2.1
327.12283	0.6
329.13699	0.7
331.11508	0.5
339.12042	1.3
344.12173	0.7
353.09937	0.4
355.11667	0.7
357.13300	4.0
359.14767	0.6
367.11682	0.7
369.13223	0.7
371.14761	0.6
383.14911	0.4
385.12735	7.3
387.14236	1.9
399.14471	3.0
401.15994	0.8
409.12473	0.5
417.15344	30.4
418.15659	0.5
427.13715	1.4
443.16562	0.6
597.23059	0.8
609.22620	1.4
683.23517	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	926.5824
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05145	4.8
67.05491	100.0
68.48870	3.5
69.07032	20.8
73.02921	6.6
79.05474	77.5
81.07043	98.2
82.46786	3.6
83.08593	5.4
85.02882	21.9
91.03928	16.7
91.05478	38.1
91.58305	3.5
93.07026	85.8
95.04912	8.7
95.08573	68.8
97.02866	17.5
97.06506	5.8
97.10152	3.9
101.37663	4.1
105.07004	45.4
107.08593	43.0
109.10147	19.7
117.06984	8.3
119.08556	24.0
121.10136	29.5
123.11717	4.6
131.08504	28.3
133.10092	24.2
135.11685	24.2
143.08594	3.8
145.10109	17.8
147.11632	14.5
149.13181	6.3
151.11285	3.9
157.10106	5.5
159.11679	4.8
161.13220	3.3
168.30772	3.3
173.13200	7.2
203.28354	4.0
213.83299	3.5
261.22037	7.3
289.12317	3.8
307.22684	36.6
335.25748	45.9
359.94379	4.6
383.23563	3.8
464.93594	3.7
493.39859	4.1
567.43927	20.0
585.44885	22.8
957.96149	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	926.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	25.4
69.03419	20.9
69.07052	43.1
71.04972	4.2
77.71245	2.6
79.05470	15.3
80.18224	2.0
81.03405	27.3
81.07036	52.9
83.08599	18.6
85.02881	35.2
91.05472	17.1
92.08679	9.5
92.09305	9.6
93.07022	32.5
95.04959	3.4
95.08581	61.4
97.02866	69.3
97.10149	2.4
99.04425	11.4
103.27797	2.8
105.07007	35.5
107.08563	55.4
109.02856	24.0
109.10137	63.6
117.07010	5.3
119.08551	51.2
121.10110	33.5
123.11635	22.7
127.03883	24.3
129.06981	5.4
131.08548	20.5
133.10101	34.2
135.11633	28.0
137.09547	2.7
137.12267	3.2
137.13235	18.1
137.64264	2.8
143.08534	16.0
144.09341	4.0
145.04945	24.2
145.10109	46.5
147.11662	28.2
149.13182	9.1
156.09285	3.1
157.10071	21.1
159.11636	32.6
161.13222	25.0
163.14809	10.0
169.10123	12.4
170.10870	3.6
171.11693	23.9
172.12230	2.7
173.13179	18.3
175.14836	11.8
181.10072	3.1
182.10870	2.7
183.11671	10.2
185.13210	21.0
187.06006	12.8
187.14796	31.0
189.16335	50.2
189.17877	2.3
191.17867	3.5
195.11647	3.1
197.13229	10.3
199.14828	15.4
201.16405	21.3
203.17949	10.2
205.07051	11.7
209.13127	3.1
211.14819	12.9
213.16373	9.8
215.17856	5.8
224.15590	3.3
225.16339	4.3
227.17894	13.6
237.16379	4.0
239.17877	12.0
241.19472	5.9
245.19034	4.2
247.08026	5.1
251.17854	3.2
253.19492	13.1
255.21049	4.4
267.21057	12.4
269.22394	3.5
285.22052	5.6
297.25919	2.8
307.24442	2.8
323.27301	17.4
405.35095	100.0
423.36090	53.1
464.18536	2.3
507.29132	14.3
526.56317	3.1
599.66223	3.0
627.42523	57.2
765.00885	2.8
777.84912	3.2
925.45764	3.0
926.46478	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	925.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93676	1.2
73.04749	8.3
81.03430	1.4
89.23624	1.2
89.66660	1.4
91.05781	29.6
92.08932	8.9
107.74992	1.2
114.18863	1.3
117.82760	1.3
165.26262	1.3
167.05576	5.3
225.04367	8.6
285.01025	7.2
286.01114	2.7
287.07303	14.3
299.06335	6.8
355.07181	3.1
356.07376	1.8
377.10126	1.7
385.26999	1.5
429.08667	1.8
767.49158	8.4
865.52716	1.6
925.54846	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	922.6088
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33204	3.9
67.01820	4.4
67.05492	37.3
69.03413	8.2
69.07047	41.5
71.04976	6.9
79.05490	6.1
81.03391	57.9
81.07037	45.3
83.08601	25.2
85.02881	15.2
85.10194	5.5
87.63708	3.2
92.08881	31.5
93.07005	25.1
95.08576	58.6
97.02837	27.9
97.06506	3.2
97.10152	22.0
99.04411	23.6
105.07031	5.1
107.08572	12.5
109.02866	73.0
109.10168	29.2
111.08046	5.6
111.11669	4.3
117.05468	86.5
119.08601	6.9
121.10129	18.0
123.11688	6.7
127.03879	50.1
133.10136	4.7
135.11641	17.8
137.13242	8.1
149.13219	7.4
159.06502	100.0
169.04942	4.1
187.06006	13.9
211.20546	5.5
217.19276	4.8
219.21101	12.4
235.20554	6.7
237.22127	17.1
247.08031	19.8
253.21487	6.1
255.23128	15.0
261.86444	3.9
292.25543	3.4
369.26166	4.9
465.37592	4.2
465.43100	78.0
507.44522	4.2
515.81720	3.6
605.48022	4.9
623.48535	40.4
632.65405	3.8
641.49841	4.5
737.03741	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	922.6096
Annotation	Unknow
Peak:m/z	Relative Intensity
64.25952	5.5
67.05490	33.6
69.03416	11.5
69.07050	29.1
71.04966	6.5
73.53401	5.8
79.05466	29.0
81.03406	63.5
81.07053	60.5
83.08598	36.5
85.02870	13.4
91.05806	11.2
93.07017	27.5
95.08596	50.5
97.02872	36.6
97.06474	10.6
97.10178	16.3
97.62244	7.7
99.04422	25.4
107.08564	24.1
109.02874	74.1
109.10146	37.8
117.05457	84.4
119.08540	9.8
121.10102	37.0
127.03902	74.2
135.11652	12.3
141.50296	7.2
158.19760	6.7
159.06508	100.0
187.05952	12.2
201.67343	6.3
225.04361	25.5
239.09494	14.6
247.08017	12.1
265.25311	11.1
283.26163	11.6
465.42990	59.0
561.30627	7.7
605.47388	8.5
623.48517	47.0
887.54852	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	922.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	1.6
67.05492	72.1
69.03404	4.6
69.07050	19.6
71.01324	0.8
71.04964	4.2
73.02879	3.0
75.55087	0.6
76.41605	0.7
79.05473	55.2
81.03400	100.0
81.07038	76.7
83.04962	8.0
83.08605	22.5
85.02895	13.8
85.06524	3.7
91.03957	6.6
91.05460	44.5
92.08951	1.0
93.07023	62.3
94.07331	1.2
95.04947	30.5
95.08587	56.7
95.98194	0.9
97.02871	6.8
97.06512	7.3
97.10155	9.5
98.10330	0.8
99.08074	0.9
103.05441	0.7
105.04511	1.0
105.07014	36.2
107.04935	9.6
107.08577	36.5
109.02849	0.8
109.06492	7.3
109.10149	24.3
111.04417	1.3
111.08021	7.0
115.05363	0.8
117.06998	11.9
119.08554	30.6
121.06508	4.9
121.10120	30.7
123.04395	3.4
123.08033	4.2
123.11681	8.6
125.09617	6.9
128.06223	1.0
129.06987	13.0
131.07631	1.4
131.08546	26.3
133.06438	4.4
133.10112	20.0
135.08057	1.6
135.11664	19.0
137.09572	4.1
137.13271	1.4
139.11218	1.5
141.06970	0.7
142.07787	3.5
143.08546	3.0
145.04942	2.6
145.06490	0.8
145.10124	17.0
147.04411	1.5
147.08009	5.7
147.11661	19.2
149.09613	6.3
149.13255	10.8
151.11121	0.8
155.08534	1.7
157.10103	14.0
159.08060	0.8
159.11639	9.1
161.05898	0.7
161.13191	8.1
161.53134	0.8
163.05980	1.6
163.11150	4.0
163.14728	1.4
165.12758	1.5
169.10066	1.3
171.11653	4.2
173.09540	1.0
173.13203	8.2
175.11159	10.0
175.14758	1.5
183.11745	0.9
185.13228	3.5
186.37146	0.8
187.14885	5.1
189.11229	1.7
193.12201	24.6
195.11601	0.9
199.14827	1.5
201.16324	1.2
211.13284	3.0
215.17911	0.8
223.14816	0.8
227.12717	5.5
242.25182	0.7
243.21069	4.8
249.14745	1.6
253.28287	0.8
259.13245	2.6
259.20544	1.5
261.22037	15.7
267.15857	67.7
279.23022	1.1
285.22202	1.4
289.21735	0.8
299.23822	1.0
301.14261	0.8
301.25150	5.4
309.16833	3.4
317.24530	2.7
335.25726	71.5
336.26080	1.7
421.25702	1.5
435.27115	2.8
435.32370	3.9
439.67560	0.7
453.33740	5.2
471.34476	4.3
509.35971	1.6
527.37201	67.0
528.37073	1.0
545.38263	80.8
546.38507	3.6
563.39233	7.0
569.38226	9.1
587.39020	1.6
611.38696	1.2
623.39063	3.8
635.38947	4.5
653.39923	3.5
671.41168	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	920.593
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	10.1
69.03401	10.1
69.07039	4.0
71.08617	4.7
73.02056	2.4
75.12061	2.4
81.03404	39.6
81.07030	10.8
83.08595	3.1
85.02870	4.4
92.08957	13.1
95.08589	13.2
97.02866	18.6
99.04420	12.8
109.02866	43.2
109.10126	5.6
117.05440	10.1
123.11707	3.3
127.03896	34.3
159.06502	100.0
160.53796	2.5
174.60815	3.5
187.05943	5.6
247.08032	3.6
253.21420	4.2
275.85855	2.4
377.51257	2.8
439.41235	4.8
463.41043	3.6
481.42563	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	920.5931
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	10.7
69.03442	4.5
69.07017	7.7
77.81602	4.2
81.03416	35.7
81.07029	21.6
85.02898	8.9
85.37975	5.8
91.05783	36.4
95.08569	12.3
97.02862	26.9
98.06031	4.5
99.04462	8.5
109.02874	49.6
109.10133	6.8
117.05415	6.6
123.11691	6.0
127.03891	36.2
135.11623	5.5
140.52811	5.5
159.06494	100.0
167.05519	29.9
225.04253	32.5
239.09387	28.3
252.95836	5.2
275.71341	6.1
299.06125	7.8
439.41461	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	920.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	56.8
69.03399	2.4
69.07060	12.8
71.04975	17.2
73.02872	2.7
79.05468	33.8
81.03392	1.6
81.07035	83.9
83.04951	3.9
83.08597	3.7
85.02884	16.1
85.06518	8.8
91.03933	9.5
91.05456	27.8
93.07021	40.3
95.04911	4.1
95.08584	30.3
97.02877	6.1
97.06490	1.9
105.07032	15.2
107.08575	25.5
109.10120	13.3
111.08045	1.8
117.06948	3.1
119.07818	1.8
119.08582	7.8
121.10104	18.1
123.11703	12.7
127.03952	2.2
131.08528	10.7
133.10081	22.6
135.11644	9.6
145.10086	3.7
147.11636	2.1
149.13231	8.2
151.11166	2.6
159.11705	3.5
161.13240	3.2
173.13368	2.2
187.13277	2.7
187.14796	2.3
261.21942	2.6
301.20007	8.4
335.25641	14.9
377.69620	1.5
413.29251	1.7
428.14410	1.7
503.37170	65.7
529.38739	17.4
561.41412	100.0
741.55756	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05146	2.5
67.05495	63.5
67.43605	1.4
69.03425	2.5
69.07058	13.9
71.04992	17.7
71.27777	1.3
73.02885	2.4
78.82832	1.6
79.05479	33.5
81.03385	2.8
81.07040	89.4
83.04959	2.9
83.08600	7.8
85.02890	11.1
85.06537	7.6
91.03939	2.6
91.05468	25.2
92.09030	1.8
93.07017	45.2
95.04950	3.7
95.08575	28.1
97.02863	7.4
97.06489	6.1
97.10120	1.8
103.84049	1.5
104.52982	1.7
105.07015	18.1
107.08570	22.3
109.10152	12.8
115.51141	1.4
117.06992	5.6
119.08545	11.6
120.63991	1.4
121.10125	12.4
123.11710	13.4
131.08553	10.7
133.10083	17.0
135.11679	7.6
145.10085	6.1
146.48538	1.7
147.11685	3.5
149.13222	3.4
151.11174	5.9
157.10135	2.7
159.11664	6.8
160.47971	1.7
161.13239	3.0
187.13194	2.9
187.14816	1.6
221.76891	1.6
261.22241	2.3
269.17374	3.2
301.20007	6.0
318.99460	1.7
335.25775	20.3
349.42682	1.6
349.47440	1.7
503.37247	68.0
504.37201	1.9
529.38757	12.2
552.67133	1.8
561.41400	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	920.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	1.8
67.05140	2.6
67.05490	59.5
69.03403	6.1
69.07061	20.4
70.21513	1.4
71.04972	6.3
73.02898	6.2
79.05476	67.8
79.05944	2.3
81.03400	58.5
81.07037	70.8
83.04957	18.8
83.08595	25.5
85.02888	38.6
85.06532	6.6
91.03950	11.1
91.05463	88.7
93.07021	74.9
95.04944	31.5
95.08584	41.2
97.02860	11.3
97.06522	5.5
97.10152	5.8
97.78915	1.3
99.04420	2.7
105.07014	84.9
107.04946	11.6
107.08582	38.1
109.06480	11.3
109.10144	11.6
111.04448	5.6
111.08067	9.6
113.06046	1.6
115.05419	3.0
117.06998	22.5
119.04892	1.7
119.08558	75.8
121.06497	3.5
121.10121	28.4
123.08038	5.9
123.11716	2.7
125.09615	1.8
128.06224	1.8
129.06961	28.9
130.07741	2.0
131.08539	40.5
131.09442	2.2
133.06544	2.2
133.10104	49.7
135.08063	2.5
135.11707	16.2
137.09570	2.7
141.06976	2.6
142.07768	7.6
143.08556	12.7
145.04959	1.4
145.10094	26.3
147.08018	3.0
147.11668	45.9
149.09628	9.2
149.13255	9.0
155.08453	2.1
157.10089	25.2
159.11662	16.9
161.13225	19.2
163.11150	3.4
165.12834	1.7
169.10072	3.5
171.11682	10.1
173.09567	2.7
173.13185	11.5
175.11162	14.5
175.14801	9.1
181.10031	1.9
183.11725	2.3
185.13205	11.1
187.14716	2.1
193.12227	31.9
197.13280	2.7
199.14822	7.0
211.13228	32.5
213.16316	1.8
227.12740	3.2
241.19414	16.4
259.20514	43.9
267.15778	14.8
283.15402	2.2
285.16876	37.3
308.22052	1.7
315.23166	2.6
333.24261	32.8
335.25900	1.8
337.21484	1.7
415.29910	1.8
433.30804	7.8
451.31842	3.0
469.33084	1.7
515.37134	3.4
525.35675	39.3
543.36713	100.0
544.37549	1.6
561.37292	6.5
651.38507	1.8
669.39410	2.2
687.40710	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	920.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.1
65.36500	1.1
65.38503	0.9
67.05492	46.0
69.03414	6.7
69.07047	16.2
69.80904	1.1
71.04970	5.7
73.02884	4.6
79.05473	57.7
81.03400	43.2
81.07036	51.2
83.04960	14.6
83.08598	18.6
85.02888	29.7
85.06535	4.8
91.03935	5.6
91.05458	72.6
93.07021	58.5
95.04942	22.8
95.08005	1.9
95.08582	36.9
97.02847	9.0
97.06508	6.1
97.10130	6.0
105.03406	1.8
105.07008	70.7
107.04922	7.9
107.08561	31.8
109.02869	1.3
109.06478	6.1
109.10161	13.5
111.04461	2.5
111.08056	7.3
113.06009	1.6
114.51254	1.2
115.05424	2.9
117.06996	15.9
119.08560	60.9
121.06490	1.6
121.10116	25.0
123.08038	2.2
123.11675	4.7
125.09649	1.7
127.03900	1.6
128.06194	2.6
129.06973	21.6
130.07703	1.3
131.08540	37.3
133.06464	2.1
133.10101	47.0
135.08144	1.4
135.11671	13.7
137.09648	2.6
141.06978	1.8
142.07785	4.6
143.08527	13.4
145.04875	1.3
145.10106	21.7
147.08057	4.7
147.11665	41.3
149.09592	5.5
149.13251	6.7
155.08606	1.7
157.10088	22.5
159.11639	18.1
159.63795	1.2
161.09561	1.4
161.13217	18.9
163.05992	1.3
163.11174	2.7
163.14780	2.1
167.08510	1.3
169.10201	1.5
171.11661	12.1
173.13196	9.7
175.11150	10.4
175.14757	7.9
181.09914	1.2
183.11642	2.0
185.13191	9.9
187.14803	5.0
193.12196	21.5
195.11679	2.3
199.14809	5.8
201.16576	1.3
211.13251	23.1
231.21046	2.9
241.19473	15.8
259.20508	51.6
261.22150	1.3
267.15765	11.8
285.16867	26.5
315.23120	2.3
333.24170	36.2
433.30896	6.7
451.31885	6.0
469.32632	2.9
471.31256	1.3
507.34378	2.5
515.37158	4.9
525.35687	34.5
543.36725	100.0
544.36780	1.5
561.37488	5.1
687.40387	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.6
65.92278	0.6
67.05489	76.3
69.03407	6.8
69.07050	20.6
71.04967	4.6
71.08578	0.6
73.02897	11.0
75.86335	0.6
79.05473	63.6
80.06268	1.2
81.03395	17.8
81.07037	74.4
82.04181	3.1
83.04971	15.0
83.08604	15.6
85.02887	24.3
85.06526	3.2
87.04447	0.9
91.03932	11.7
91.04876	1.5
91.05457	45.2
92.09214	3.2
93.07019	62.9
94.07854	0.7
95.04943	20.3
95.08580	48.1
96.04502	0.7
97.02874	13.0
97.06518	10.5
97.10146	12.6
98.07293	4.5
99.04434	2.9
99.15334	0.6
103.03913	0.8
103.05470	1.4
105.04505	0.8
105.06478	0.7
105.07013	33.3
107.04944	6.5
107.08574	42.4
109.02850	1.3
109.06499	5.0
109.10135	24.9
111.04421	4.5
111.08090	5.6
113.05981	1.0
114.26162	0.7
116.04695	12.5
117.05483	0.9
117.06994	13.6
119.08559	26.1
120.09344	1.0
121.06476	3.7
121.10115	28.0
123.04411	1.0
123.08044	4.8
123.11691	6.7
125.09615	12.1
127.03894	3.8
127.07533	1.2
127.11253	0.8
129.05457	36.3
129.06909	8.8
130.07759	1.3
131.08537	20.8
133.06416	0.8
133.10109	21.9
135.08057	3.9
135.11670	20.7
136.08881	1.0
137.09601	3.7
137.13202	1.3
142.07820	1.1
143.07019	7.4
143.08539	4.1
143.10580	0.8
145.04919	3.0
145.06416	0.8
145.10123	13.8
147.08046	2.7
147.11659	13.1
149.09596	4.2
149.13222	7.1
151.11218	1.2
153.09084	1.3
155.08521	2.9
157.08591	15.1
157.10110	7.6
159.08015	1.1
159.11642	8.0
161.09590	0.7
161.13200	7.0
163.06015	3.6
163.11110	6.8
163.14806	2.8
165.12680	1.1
169.10031	1.0
171.06607	0.7
171.10136	5.6
171.11684	3.6
173.09622	1.1
173.11737	1.1
173.13164	7.4
175.11172	4.9
175.14853	2.8
181.10023	0.8
181.12207	0.9
183.11646	1.0
185.13228	2.8
187.14755	1.6
189.09705	0.8
189.11157	6.9
193.12164	5.1
197.13470	0.7
199.13260	3.6
199.14835	0.9
200.14085	1.2
205.15981	0.9
209.11699	3.3
211.13213	5.8
221.13429	0.7
226.06758	0.7
227.12704	8.2
229.14368	1.6
243.16020	1.1
243.21080	2.6
255.15727	1.4
257.34058	0.7
259.20584	1.6
261.22031	10.7
267.15857	4.3
277.21475	4.9
283.15320	9.4
285.16946	3.3
297.21967	0.8
299.23944	0.7
301.16385	42.3
315.23050	1.7
317.24762	1.4
333.24069	0.7
335.25735	66.8
351.25327	1.4
366.09351	0.7
417.29956	1.1
451.31857	1.5
469.32578	1.2
487.34088	1.1
489.35443	1.1
525.35583	4.4
527.37231	6.4
543.36664	23.2
544.37305	1.0
545.38007	3.3
561.37750	100.0
562.37927	2.8
579.38373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	2.6
67.05146	3.5
67.05492	100.0
69.03395	7.5
69.07052	26.3
69.54581	1.4
71.01340	1.6
71.04984	5.3
73.02890	9.5
73.03276	1.5
75.06960	1.4
79.05475	88.5
81.03399	32.8
81.07037	87.7
82.34728	1.7
83.04972	20.1
83.08589	18.4
84.19382	1.7
85.02888	31.1
85.06533	3.4
91.03937	11.7
91.05460	52.3
93.07020	81.5
94.29964	1.7
95.04946	24.7
95.08582	56.4
97.02859	20.8
97.06495	8.6
97.10155	12.9
98.07262	2.3
99.04444	1.9
104.10740	2.5
105.07009	39.4
107.04932	11.2
107.08583	44.6
109.06516	6.6
109.10142	26.2
111.04424	3.5
111.08073	3.3
111.11669	2.0
116.04682	9.1
117.07014	21.0
119.08567	37.2
121.06461	3.9
121.10127	26.8
123.08040	2.8
123.11703	3.0
125.09606	14.2
127.03913	1.7
128.06187	1.5
129.05453	21.7
129.06967	7.2
130.07751	2.9
131.08540	24.2
133.10124	16.6
135.08051	1.7
135.11668	25.5
137.09569	3.4
139.11180	1.7
143.07048	6.5
143.08551	3.3
145.04846	2.0
145.10094	22.6
147.08055	2.3
147.11656	12.5
149.09583	2.4
149.13232	3.3
153.12711	9.1
155.08484	3.6
157.08577	11.7
157.09999	2.9
159.11656	8.7
161.13235	6.7
163.05991	1.9
163.11127	20.9
165.12721	1.9
169.10133	1.9
171.10193	2.9
171.11583	2.1
173.13239	8.8
175.14754	2.1
181.12143	2.2
184.07336	2.4
185.13187	2.2
189.11162	6.4
191.10645	2.9
193.12228	3.6
199.13269	7.1
209.11684	7.4
227.12755	21.0
243.20992	1.7
259.20453	3.9
261.22015	9.9
265.14276	2.9
267.15802	12.2
283.15411	18.2
301.16400	38.8
327.22787	2.0
335.25674	51.5
342.19324	1.9
451.31796	2.1
525.35413	3.6
527.37067	3.1
543.36865	19.5
561.37701	33.7
692.99884	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
64.27365	2.0
67.05140	3.9
67.05490	93.6
69.03412	10.4
69.06699	3.4
69.07042	31.5
69.65041	2.0
71.01328	4.5
71.04963	5.9
73.02891	4.7
79.05472	91.9
81.03399	50.2
81.07042	89.9
83.04971	30.0
83.08609	25.1
85.02897	24.3
91.03922	5.1
91.05462	61.9
92.09061	12.7
93.07026	100.0
95.04956	27.7
95.08581	69.2
97.02874	29.5
97.06497	13.3
97.10161	17.7
99.04455	3.5
104.79948	2.8
105.07021	40.4
107.04923	25.3
107.08575	46.0
109.02853	2.9
109.06486	4.7
109.10146	23.6
111.04431	9.6
111.08058	5.3
115.21795	2.5
117.06998	27.1
119.08561	36.9
121.06488	5.4
121.10117	27.3
123.08039	2.7
123.11691	2.9
125.09601	6.0
129.06976	12.1
131.08546	28.9
133.10150	21.6
135.08054	3.0
135.11690	32.8
137.09581	3.0
143.08530	5.9
145.10106	32.3
147.08044	3.8
147.11678	10.8
149.09622	4.5
149.13228	3.8
153.12720	12.7
155.08527	2.9
156.42763	2.8
157.10071	9.6
159.11699	9.6
161.13246	4.1
163.11115	34.8
171.11652	10.4
173.09572	4.1
173.13220	4.2
181.12206	4.1
184.07257	3.9
185.13225	2.7
191.10710	4.6
193.12198	4.7
199.13235	5.2
209.11691	5.9
217.14258	3.2
227.12732	32.7
259.20471	3.7
261.22107	5.7
265.14276	3.3
267.15811	26.9
277.21570	4.2
283.15344	26.8
299.14886	3.6
327.23215	2.6
335.25772	34.7
337.27106	3.7
351.25204	4.8
451.32224	3.1
469.33032	4.1
543.36841	27.8
561.37659	17.0
562.63141	2.8
566.14001	3.0
569.92999	2.8
941.57269	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	919.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.7
69.03421	4.2
69.07059	0.6
71.01343	0.4
71.04981	1.1
71.08243	0.2
71.08626	1.2
73.02896	4.7
73.03239	0.3
79.05490	1.2
81.03382	3.6
81.07037	2.1
83.04976	0.4
83.08604	1.1
85.02891	5.5
85.10165	0.5
85.28853	0.3
87.04478	0.3
91.03934	2.7
91.05473	1.6
92.09213	0.3
93.07038	1.4
95.04971	0.5
95.08613	1.3
95.65656	0.2
97.02868	5.1
99.04437	0.5
101.02385	1.8
105.07028	1.3
107.04939	0.4
107.08595	0.5
109.02852	1.0
109.10140	0.4
115.03910	0.3
116.63503	0.2
119.08571	0.5
121.10150	1.1
127.03912	1.9
129.06972	0.3
131.08559	0.4
133.10146	1.0
147.11674	0.6
149.09679	1.2
157.10146	0.5
185.04236	1.3
193.12270	1.5
203.05312	0.5
225.14865	0.3
243.08267	2.3
267.15988	0.9
277.45636	0.2
283.15070	3.3
313.27444	0.6
339.17755	1.1
345.06268	0.3
347.09375	2.8
365.10623	1.5
405.13583	5.9
405.18512	0.3
469.20428	0.3
497.30826	6.0
501.22952	11.0
659.35944	6.7
663.28296	9.6
672.50470	0.3
707.48413	0.3
757.47009	3.7
919.52136	100.0
920.53082	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03906	2.3
67.05488	66.4
69.03400	3.4
69.07053	14.7
69.60366	0.5
71.01315	0.6
71.04972	5.4
73.02893	5.2
76.67626	0.5
79.05472	46.8
80.05824	0.6
81.03386	7.6
81.07034	55.8
82.07359	0.9
83.01315	0.9
83.04964	27.7
83.08596	12.0
85.02894	17.3
85.06529	3.5
87.04453	0.6
91.03932	6.6
91.05456	27.8
92.05820	1.2
92.09020	1.3
93.07018	58.5
94.07340	1.1
95.04940	9.1
95.08581	42.1
96.08915	1.0
97.02869	11.4
97.06513	11.4
97.10139	3.6
99.00802	4.3
99.04427	4.7
99.08055	3.0
101.02349	1.3
105.04529	0.9
105.06358	1.1
105.07011	19.9
107.04953	7.2
107.08572	35.1
108.08889	1.0
109.02864	2.7
109.06483	4.2
109.10135	24.0
111.04421	51.4
111.08051	18.9
111.79937	0.6
113.05953	0.9
115.03888	0.9
117.06992	10.0
119.08555	18.9
121.06506	4.1
121.10115	30.9
122.10412	1.1
123.04427	1.1
123.08051	3.3
123.11686	3.4
125.05968	3.8
125.09619	0.7
127.03898	2.3
129.06995	2.6
131.08537	15.3
133.10098	14.9
134.10442	1.4
135.08029	2.2
135.10638	1.2
135.11667	34.4
137.09631	2.2
139.07489	0.9
139.11118	1.0
143.08530	2.5
145.04936	1.3
145.10109	22.1
147.08018	2.5
147.11642	7.7
149.09631	4.0
149.13223	6.0
151.11134	1.2
153.12715	29.3
153.13902	1.0
155.08513	2.1
159.11664	3.0
161.09608	2.4
161.13185	3.4
163.06009	0.8
163.11143	40.6
163.14821	2.6
171.08109	0.7
171.11775	0.5
173.09587	9.9
173.13228	3.8
175.14815	0.8
179.10608	1.0
181.12195	40.8
185.13228	0.7
187.14771	1.4
189.09071	0.9
191.10628	27.8
197.28381	0.6
209.11708	12.7
226.11455	0.8
227.12727	24.6
243.21045	3.6
261.22070	16.0
262.22549	0.8
283.15338	55.2
299.14725	7.1
300.15283	5.1
301.16388	32.4
317.24628	2.3
324.89911	0.7
335.25717	59.2
336.26080	7.2
337.26587	1.1
421.26212	0.7
451.31714	1.0
469.33008	2.1
525.35468	3.8
541.35126	1.0
543.36676	29.6
544.36584	1.1
559.36090	2.1
560.36090	5.6
561.37708	100.0
562.37860	3.0
579.38116	1.1
633.20923	0.6
652.06952	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.505
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.7
67.05491	57.3
69.03413	5.1
69.07047	12.9
69.66635	0.8
71.01336	3.1
71.04967	1.9
71.08630	0.7
73.02898	7.8
76.56567	0.7
79.05474	42.7
81.03391	5.7
81.07036	66.1
83.04957	6.4
83.08601	20.2
85.02885	19.2
85.06528	4.1
91.03934	13.0
91.05459	43.7
91.06002	1.6
92.08769	1.5
92.09279	1.5
92.64555	0.8
93.07021	61.1
95.04941	9.6
95.08583	45.0
97.02869	16.3
97.06505	6.0
97.10148	5.9
99.00796	27.0
99.04434	1.2
99.08038	1.2
101.02352	1.1
103.05455	1.8
105.07016	33.8
106.98336	0.8
107.04946	7.7
107.08574	33.7
109.02856	18.9
109.06502	6.2
109.10139	23.9
109.89101	0.7
111.04426	1.8
111.08086	6.1
112.54585	0.8
115.03934	5.0
117.06994	7.9
119.08556	23.5
121.06477	11.9
121.10114	18.4
123.04367	1.2
123.08056	1.9
123.11685	7.4
125.09620	1.1
127.03911	8.8
128.06218	2.9
129.06958	1.7
131.08533	12.1
133.06519	1.5
133.10103	63.8
135.08029	0.9
135.11662	14.6
137.05965	1.8
137.09573	3.1
139.03859	1.0
139.07539	3.3
143.08533	8.8
145.04930	3.1
145.06471	1.6
145.10077	8.2
147.08057	1.1
147.11693	5.7
149.09590	0.9
149.13173	7.0
151.11179	19.0
153.12753	0.9
156.69252	0.8
159.11702	5.1
161.09589	27.9
161.13249	4.9
163.06001	1.7
163.11197	1.3
163.14769	3.2
171.08009	7.1
171.11665	1.1
173.13272	5.3
175.14769	3.1
177.16490	0.9
179.10637	13.2
187.14752	1.1
189.09087	11.6
197.11723	4.7
207.10054	5.7
225.11189	14.9
243.12193	3.9
243.21075	5.3
257.88605	0.8
261.22101	16.0
277.21780	1.1
280.35675	0.8
281.13889	2.9
299.14828	100.0
300.14981	1.2
313.79831	0.8
315.23203	3.4
317.24661	1.6
335.25723	81.9
336.26102	0.9
421.31006	1.2
439.31973	1.0
449.30621	1.0
467.31396	5.0
468.24454	0.8
485.32758	6.1
513.35681	3.1
515.37122	1.9
531.36700	4.5
541.35071	17.2
543.99573	0.9
559.36182	51.3
560.36627	1.5
577.36877	5.6
936.28729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	1.1
67.05486	59.5
69.03406	5.3
69.06718	0.7
69.07052	13.3
71.01323	2.4
71.04981	3.2
73.02888	5.9
79.05466	47.4
81.03387	6.4
81.07030	72.8
83.04952	3.8
83.08109	0.8
83.08595	20.6
85.02879	19.2
85.06505	2.9
87.04412	0.6
91.03926	11.2
91.05451	41.5
92.08868	0.6
93.07012	63.7
94.44463	0.4
94.84980	0.4
95.04940	7.9
95.08576	46.8
97.02859	16.3
97.06499	5.3
97.10126	4.5
99.00783	26.0
99.04409	2.8
99.08041	2.1
99.62874	0.4
101.02346	0.8
103.05433	1.8
105.03355	0.6
105.04459	0.5
105.07002	33.1
107.04935	8.5
107.08568	34.1
108.40087	0.4
109.02853	14.2
109.06474	4.9
109.10130	24.6
111.04388	3.0
111.08037	5.8
113.05949	0.5
115.03880	4.9
115.05385	0.7
116.10242	0.5
117.06983	9.9
119.04960	1.6
119.08549	22.9
121.02782	0.4
121.06473	11.9
121.10104	22.3
123.04382	2.4
123.08030	2.7
123.11674	7.7
125.09663	0.5
127.03891	8.5
128.06218	2.1
129.06958	1.1
131.08534	12.6
133.06442	2.6
133.10092	57.8
135.07968	1.1
135.11661	15.7
137.05969	2.8
137.09601	2.3
137.13210	2.2
139.07483	4.0
141.05418	0.8
143.08531	8.1
145.04915	3.3
145.06384	1.0
145.10106	9.6
146.07195	0.6
147.08014	1.9
147.11655	5.8
149.09599	0.8
149.13231	9.1
151.11137	17.0
153.07048	0.5
157.10042	0.7
159.11635	5.7
161.09567	24.3
161.13184	4.7
163.05969	2.8
163.11113	1.1
163.14772	4.0
165.09013	0.8
165.12749	0.6
171.07999	4.4
171.11636	0.8
173.13219	7.0
175.14769	1.2
177.16380	2.2
179.10631	13.1
184.07236	0.9
187.14774	2.9
189.09048	10.2
197.11665	4.1
199.14848	0.8
207.10132	3.0
225.11148	12.4
227.12756	1.0
243.12280	2.6
243.20990	7.1
261.18045	0.5
261.22064	18.6
277.21701	1.0
279.23151	0.7
281.13809	3.7
299.14813	84.8
300.15164	1.1
315.23215	2.7
317.24722	3.4
335.25711	100.0
336.26041	2.5
421.30826	0.9
423.32932	0.6
439.31613	0.6
449.30496	1.0
467.31516	6.4
485.32581	4.8
513.35577	3.7
513.92181	0.5
515.37384	3.6
531.36841	4.2
541.35120	18.6
542.35315	0.9
559.36169	73.2
560.36322	2.7
577.37396	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	918.49
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33575	0.5
65.03876	0.7
67.05405	22.5
67.05792	2.3
67.05997	0.6
69.03329	4.0
69.06966	7.9
71.04886	3.7
73.02840	0.7
77.03865	0.5
79.05379	28.1
79.05885	2.7
81.03308	68.1
81.03830	5.2
81.06942	26.4
81.07461	2.0
82.45403	0.4
83.04863	8.3
83.08508	20.7
83.09042	1.5
85.02792	4.8
85.06468	0.9
91.03841	2.4
91.05453	23.3
92.08670	1.0
92.09278	2.0
93.03348	0.6
93.07016	20.6
95.04942	33.0
95.08579	12.9
97.02865	3.8
97.06393	5.9
97.10143	20.7
99.04329	0.5
99.07961	0.7
103.05381	0.9
105.03375	3.8
105.07012	17.9
105.07654	1.4
107.00599	0.5
107.04936	21.6
107.08575	17.4
109.02796	0.9
109.06495	14.0
109.10152	7.9
111.04436	4.2
111.08063	7.6
113.05942	0.6
115.05360	1.7
117.03255	0.8
117.06995	8.3
119.04814	3.1
119.05655	0.6
119.08557	16.7
121.06473	14.9
121.10115	11.7
123.04404	3.6
123.08040	6.3
123.11578	2.0
125.09597	16.9
127.03806	1.1
128.06155	1.3
129.06972	12.1
131.04787	3.0
131.08545	14.0
133.06453	7.6
133.10118	8.1
135.04398	3.9
135.08020	7.3
135.11711	3.8
137.05840	2.2
137.09479	2.9
139.11116	1.0
141.06879	2.7
142.07649	1.9
143.08533	4.6
143.10637	0.8
145.02785	3.2
145.06447	10.6
145.10098	8.3
147.04362	4.5
147.08032	5.8
147.10623	0.5
147.11649	9.1
149.05849	1.0
149.09612	7.7
151.07469	1.1
153.09070	4.6
153.12614	2.2
155.08517	3.5
157.06346	2.1
157.08871	0.6
157.10083	11.3
159.07906	3.1
159.11523	3.0
161.05858	1.9
161.09467	2.7
163.03865	11.7
163.05914	0.7
163.07358	0.8
163.11134	7.0
165.06828	0.6
165.12576	2.6
165.28291	0.5
167.06903	0.9
167.08395	2.0
167.10571	1.0
169.06340	0.8
169.09964	2.5
171.08075	3.3
171.10158	1.2
171.11540	3.6
173.05956	0.6
173.09570	4.0
173.13087	1.7
175.07408	0.8
175.11134	10.5
177.05344	1.2
177.12531	2.1
181.09904	0.9
181.12151	0.7
183.07925	1.1
183.11551	1.1
185.09534	1.0
185.13142	2.3
187.11003	2.0
187.14685	2.3
189.08965	0.8
189.11063	9.8
189.12675	2.3
191.14140	1.2
193.08455	0.7
193.12190	25.4
195.08022	0.7
195.11589	2.1
195.13515	0.5
197.09525	1.8
197.13110	2.4
199.11043	3.4
199.13023	0.8
201.12627	1.9
203.14214	0.6
205.12079	2.1
207.13597	0.7
209.09500	0.7
209.13203	0.7
211.11270	1.5
211.13132	2.4
213.12602	2.4
215.14323	3.5
217.12093	1.8
219.13727	4.1
223.11131	1.0
223.13139	2.3
223.15071	0.5
225.12555	1.0
227.12547	2.0
227.14333	2.1
231.13751	1.2
233.15303	5.7
235.13156	2.4
237.12589	1.9
237.14738	0.7
239.14149	0.8
243.13687	0.6
245.15269	2.0
248.12138	0.5
249.14668	2.8
251.14200	0.8
255.13637	2.7
257.15176	0.9
259.13147	3.0
267.15854	50.2
271.16690	0.9
273.14731	9.4
275.16431	1.0
285.14862	0.6
287.16342	0.6
293.17542	0.6
301.14185	0.5
311.16422	0.5
321.22021	0.6
331.20264	0.6
339.19516	0.6
339.22867	3.6
349.21585	8.5
357.24149	4.3
367.22610	18.6
385.23639	29.5
403.24860	6.2
441.26221	10.4
459.27298	98.5
460.27701	2.2
477.28375	100.0
478.28769	2.0
491.29968	16.4
501.28375	6.7
509.31021	7.2
513.28070	1.0
519.29370	0.8
531.29321	0.9
541.34235	0.7
543.29309	2.8
555.29510	1.1
567.29279	5.7
573.30792	0.7
585.30524	2.4
603.31964	0.9
789.59747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.507
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.3
69.03423	3.3
69.07070	1.0
71.08615	0.8
73.02887	4.4
79.05492	0.7
81.03423	2.4
81.07066	1.2
83.04979	0.8
83.08632	1.1
85.02880	6.2
85.10179	1.0
87.10009	0.6
89.82459	0.5
91.03934	4.0
91.05504	0.7
92.08978	4.5
93.07034	0.8
95.08600	0.8
97.02867	6.3
99.04443	1.1
101.02375	2.1
107.08607	1.0
109.10165	1.1
111.04466	3.5
111.08042	0.5
115.03961	0.8
121.10150	1.3
127.03946	1.0
135.11723	1.0
145.10078	0.9
153.12788	2.6
163.11250	2.8
181.12227	2.2
187.12160	0.5
191.10709	2.6
194.23071	0.6
203.05312	0.8
218.11017	0.5
227.12854	1.3
243.08388	1.3
251.12549	0.6
281.13516	6.3
313.27408	0.6
337.16019	1.6
347.09506	2.0
405.13596	7.3
439.18622	0.6
481.14502	0.6
497.30685	8.2
499.21417	13.4
499.28140	1.0
659.35968	6.8
661.26532	9.0
755.45264	3.7
917.50616	100.0
918.51117	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	916.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	1.4
67.05495	83.2
68.05829	1.3
69.03411	4.8
69.07057	19.3
71.04963	2.6
71.08615	29.8
73.02901	6.5
79.05476	36.3
81.03396	6.4
81.07041	55.9
82.07392	1.3
83.04967	4.9
83.08611	22.6
85.02897	29.1
85.06525	2.0
85.10184	14.8
87.04453	4.7
91.03947	10.7
91.05452	18.0
92.08697	2.0
92.09189	2.8
92.38219	1.0
93.07024	32.5
95.04942	7.2
95.08588	46.2
95.09198	1.7
96.08946	1.2
97.02860	12.0
97.06519	2.0
97.10157	23.0
99.04449	1.4
100.68867	1.0
103.78856	1.1
105.07017	9.3
107.04940	1.8
107.08578	20.9
107.28544	1.2
109.02831	1.3
109.06539	1.2
109.10148	57.2
111.08092	2.2
117.07015	5.8
119.08538	8.8
121.10101	10.6
123.04443	1.2
123.08082	1.5
123.11687	6.7
125.09628	16.0
127.03869	1.4
129.07045	1.2
131.08565	5.9
133.10097	6.9
135.11690	5.2
137.09612	1.3
137.13234	1.3
143.10695	1.5
145.04906	2.4
145.10143	6.5
147.11688	2.4
149.09692	1.2
149.13243	5.5
155.10648	1.9
159.11690	2.5
163.05952	1.9
173.11758	12.6
177.12827	1.4
179.42792	1.2
195.13777	1.8
199.13243	7.7
209.11719	5.0
223.13283	7.0
227.12755	2.4
229.14320	46.5
239.23657	2.1
257.24631	2.1
261.22067	2.2
267.15781	1.2
283.15387	4.3
296.18710	8.2
297.16705	8.9
301.16443	22.2
313.27328	100.0
314.27728	1.7
335.25763	25.4
336.25974	12.5
341.26636	1.4
437.36060	6.0
455.37354	16.3
467.37274	39.7
489.35641	5.0
521.38611	4.5
529.38733	1.3
530.39191	1.9
539.39166	17.9
556.39899	2.8
557.38782	15.6
574.41217	2.0
575.40784	4.5
951.02545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.547
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02740	0.8
65.03896	1.0
66.66588	0.9
67.05491	74.4
69.03417	4.0
69.07048	17.8
70.01354	0.8
71.04979	1.9
71.08615	34.3
73.02898	7.3
79.05050	1.4
79.05472	20.9
81.03397	6.6
81.07037	39.5
83.04957	6.4
83.08603	22.1
85.02892	31.6
85.06519	4.3
85.10162	17.9
87.04445	5.5
89.06001	1.6
91.03941	9.8
91.04439	0.9
91.05450	11.0
92.08672	2.3
92.09288	4.2
93.07030	11.9
95.04942	2.3
95.08581	28.6
97.02867	13.3
97.06504	2.0
97.10155	24.7
99.08117	1.0
103.03974	1.0
103.07578	1.0
105.07007	4.6
107.04945	2.0
107.08562	11.6
109.10147	56.9
111.08081	2.2
117.06982	1.4
119.08549	4.8
121.10088	1.8
123.08021	1.1
123.11696	4.6
125.09610	15.4
127.03907	4.0
129.07048	1.1
131.08562	1.7
133.10144	1.4
135.11630	3.9
137.09598	1.5
143.10605	1.8
145.04938	1.3
145.10158	1.4
155.10611	2.1
163.06146	1.1
163.11102	1.6
166.53452	1.0
173.11720	12.7
199.13260	10.0
209.11687	6.2
227.12717	4.7
229.14317	47.3
239.23666	3.6
247.46901	1.1
257.13828	1.1
257.24728	3.8
267.15720	1.8
283.15378	6.6
301.16415	27.0
313.27295	100.0
314.27753	3.7
335.25687	1.7
434.17807	1.1
437.36133	5.9
455.37213	17.3
467.37225	32.9
468.37512	1.2
488.52805	1.1
521.37988	2.4
534.10736	1.3
539.39465	19.4
557.38855	5.2
759.35797	1.1
910.27490	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5282
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79799	0.6
66.29626	0.7
67.05486	0.8
69.03431	4.9
71.01369	0.6
71.08626	0.9
71.18361	0.7
73.02907	4.9
79.05492	1.4
79.31575	0.7
80.30830	0.7
81.03387	1.7
81.07047	3.5
83.08609	0.9
84.84883	0.7
85.02882	7.2
91.03952	4.9
91.05463	1.8
92.08605	0.9
92.09142	3.2
95.08611	2.7
97.02858	7.2
101.02378	1.5
105.07034	1.1
109.10136	0.8
119.08573	0.8
127.03920	2.9
147.11761	0.8
155.91092	0.8
185.04225	0.9
210.42975	0.8
243.08385	1.1
244.52545	0.9
310.53455	0.8
347.09644	4.3
405.13614	6.8
410.28372	0.8
424.60031	0.9
469.20334	11.0
525.34143	4.8
631.25470	9.3
687.39508	3.8
753.47211	1.5
915.52576	100.0
916.52820	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05143	2.7
67.05489	61.1
69.03427	2.2
69.07044	17.0
71.04971	2.4
71.08614	27.3
73.02873	2.0
76.61388	1.6
79.05485	19.1
79.32118	1.6
81.03390	4.4
81.07041	37.7
83.04955	7.6
83.08604	19.8
84.27174	2.1
85.02892	23.6
85.06507	2.6
85.10171	18.8
87.04472	2.8
91.03905	2.8
91.05455	9.4
92.08974	1.9
93.07022	8.3
95.08568	28.7
97.02863	8.6
97.10139	28.5
100.55729	1.6
102.96867	1.7
105.07005	4.4
107.08574	13.9
109.10143	53.1
109.36092	1.8
111.08054	1.9
111.11672	1.7
119.08541	3.9
123.11729	2.3
124.97864	1.6
125.09599	19.0
135.08028	3.7
135.11592	2.4
143.10651	2.0
145.04858	2.6
145.10104	2.2
155.10773	2.3
163.11162	3.7
173.11671	8.9
196.16327	1.9
199.13187	7.3
200.53770	1.9
227.12692	11.3
229.14247	37.4
242.36322	1.9
257.24557	2.2
283.15390	2.5
290.61194	2.1
296.17456	1.9
301.16418	35.2
313.27310	100.0
352.64914	2.1
370.63031	2.0
437.36185	7.1
455.37045	12.4
467.37289	25.4
487.88156	2.3
492.90329	2.0
539.39221	23.7
557.40253	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	915.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11447	0.6
67.05484	1.4
69.03411	3.9
70.37341	0.5
71.08608	1.2
72.42474	0.6
73.02889	5.4
75.75243	0.6
81.03390	1.2
81.07055	2.9
85.02892	8.5
91.03925	5.0
91.05470	1.3
92.09229	3.5
93.07039	0.8
95.08611	1.2
97.02859	7.1
101.02379	1.5
109.02864	0.7
109.10153	1.0
113.02384	1.6
127.03958	1.3
133.10149	3.7
150.89717	0.7
151.11162	0.9
161.09599	1.3
179.10638	1.4
185.04184	0.7
243.08339	2.5
316.16992	0.7
326.67542	0.7
347.09680	3.5
358.55902	0.7
405.13480	7.9
497.19882	9.6
497.30594	6.5
578.99750	0.8
659.25098	7.0
659.36340	6.3
753.42456	2.0
915.48969	100.0
916.48407	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	915.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
66.94558	0.7
67.05489	1.7
69.03411	4.0
69.07089	0.6
71.08614	1.6
71.36453	0.6
73.02891	5.3
79.05464	0.9
81.03393	2.9
81.07078	0.8
81.74441	0.7
85.02893	7.4
91.03937	2.7
91.05437	2.4
92.08730	2.3
92.09328	2.0
93.07059	1.3
95.04971	0.7
95.08596	0.9
97.02849	7.4
99.04438	0.8
101.02361	1.3
105.07029	1.5
109.02831	0.9
109.06524	0.7
119.08566	0.7
127.03914	3.2
133.10118	3.4
143.42819	0.7
151.11174	1.0
157.91881	0.7
179.10649	1.5
183.58881	0.7
185.04346	0.7
243.08426	3.3
272.91959	0.9
279.12122	0.7
315.56750	0.7
347.09656	3.1
405.13589	7.8
464.10098	0.9
497.20044	9.2
497.30618	6.4
659.25153	6.5
659.36072	4.3
753.43872	2.6
915.48993	100.0
916.49493	1.3
918.18066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
65.48091	1.3
67.05511	1.7
69.03397	4.9
69.07047	1.2
73.02900	5.8
79.05504	1.3
81.03413	1.6
81.07039	1.9
85.02910	7.3
91.03959	3.1
91.05473	1.6
92.08611	2.6
92.09250	8.2
93.07026	2.1
95.08620	1.6
97.02899	8.7
101.02341	2.1
107.04961	1.6
118.01485	1.4
138.90016	1.4
163.11145	1.5
192.39568	1.7
222.65149	1.4
243.08603	1.7
270.13123	1.3
294.37497	1.4
347.09796	1.6
405.13586	3.2
467.18552	10.2
525.34308	5.3
551.91443	1.5
629.24438	7.5
687.39111	5.6
913.51160	100.0
914.51642	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	914.567
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88008	0.4
67.05491	18.0
68.95932	0.4
69.03416	3.0
69.07055	9.2
71.01318	0.5
71.04976	1.6
71.08613	30.1
73.02895	2.9
75.08723	0.4
79.05470	10.4
81.03397	83.4
81.07033	23.0
83.04952	3.8
83.08599	24.6
83.98009	0.4
85.02891	6.7
85.06522	1.0
85.10165	15.8
89.06008	0.7
91.03934	5.5
91.04881	0.7
91.05453	15.1
92.09137	2.9
93.07021	7.7
95.01315	0.5
95.04945	23.0
95.08580	21.3
97.02869	5.0
97.06505	1.8
97.10147	7.0
99.11706	0.9
103.07541	0.9
105.07008	10.9
107.04932	5.1
107.08572	4.5
109.02806	0.6
109.06494	3.3
109.10133	11.3
111.04418	1.8
111.08069	5.8
111.11691	0.7
115.05429	1.1
117.06995	0.8
119.08562	11.4
120.26316	0.5
121.06507	3.7
121.10122	6.4
123.04396	1.8
123.08087	1.9
123.11706	4.5
125.09583	0.8
125.13261	0.5
127.03929	1.1
129.06982	9.5
131.08546	9.3
133.06462	3.0
133.10104	3.4
135.11647	0.7
137.09581	2.0
137.13310	0.5
140.72791	0.5
142.07748	2.3
145.04858	0.6
145.06442	0.5
145.10115	2.1
147.04390	1.0
147.08041	4.3
147.11671	8.2
149.09608	4.9
151.87718	0.4
157.10088	10.7
161.13069	0.6
163.05965	1.0
163.11166	1.7
165.12698	2.4
165.91045	0.4
175.11140	8.1
189.05470	0.5
193.12192	30.1
211.13235	1.7
235.13182	1.8
239.23766	3.7
249.14751	2.1
257.24683	3.7
259.13181	0.9
267.15848	90.7
273.14716	1.9
301.14212	0.9
309.16913	2.5
313.27304	100.0
314.27832	0.6
374.42450	0.4
505.38770	78.0
506.39047	0.9
523.39520	3.9
531.68695	0.5
547.39752	4.7
565.40668	0.7
601.40436	2.4
613.40283	1.9
631.41467	2.3
645.88043	0.5
649.43115	1.0
870.74255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	32.1
69.03411	3.6
69.07057	16.3
71.04959	2.5
71.08603	26.3
73.02896	4.0
79.05469	32.8
81.03392	29.4
81.07037	40.6
83.04955	15.3
83.08181	2.8
83.08583	18.5
83.56927	2.0
85.02903	18.6
85.10167	22.8
91.03908	4.7
91.05439	18.6
92.08893	10.6
93.07016	31.7
95.04954	13.6
95.08576	35.6
96.05433	2.3
97.02861	20.8
97.06509	10.8
97.10148	5.3
99.04412	3.9
105.07018	9.2
107.04934	22.9
107.08580	21.1
109.06508	9.5
109.10152	14.1
111.04418	27.1
113.05876	2.5
117.07008	11.5
119.08556	15.0
121.06478	5.1
121.10120	17.1
123.08080	5.4
123.11712	2.9
125.05959	9.7
125.09557	3.1
129.06979	3.4
131.08539	10.7
135.11644	17.4
145.10095	32.7
153.12740	9.5
155.08527	3.4
163.11147	42.4
173.09583	11.1
181.12209	4.3
191.10692	11.2
209.11690	12.5
223.11380	2.4
223.13164	20.1
227.12770	3.1
241.14423	23.6
265.14297	13.7
273.82831	2.3
283.15424	33.5
313.27341	80.4
315.17972	38.5
503.37112	11.9
521.38263	100.0
553.40863	72.8
911.48743	4.7
912.49725	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	911.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04579	0.7
84.17992	0.7
92.08670	1.6
92.09285	3.4
149.61502	0.8
287.07440	3.5
454.48666	0.9
520.38037	0.8
544.26434	1.0
578.27844	0.9
795.52362	1.1
911.56799	100.0
912.57080	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	912.388
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05021	0.6
69.03423	0.6
70.02937	3.2
70.06580	100.0
72.08141	19.0
72.08549	0.4
73.92180	0.3
79.05462	0.6
81.03424	2.0
83.04939	0.4
84.08102	0.4
85.02887	0.6
87.05576	7.6
88.70616	0.3
91.05466	12.7
93.07029	0.7
95.04935	0.6
95.06061	1.5
97.02870	0.5
97.07657	1.8
98.02409	1.9
98.06039	1.8
103.05463	1.7
105.03374	4.4
105.07009	0.7
106.06549	2.3
107.04948	2.1
109.02872	0.5
109.07651	0.8
109.10147	0.7
110.02402	0.9
113.03541	0.4
115.08688	0.7
116.04992	1.6
116.43521	0.4
117.05760	0.5
118.06528	26.0
119.04944	2.2
119.07302	1.7
120.08096	5.8
121.06477	0.4
122.06036	1.6
123.04434	0.9
125.07101	15.7
130.06490	3.6
131.04948	1.7
132.04453	0.9
134.05995	9.2
135.04419	0.6
135.05516	0.4
135.06787	0.7
136.07561	12.9
137.06119	0.6
137.07089	3.7
141.03001	1.5
142.06139	0.7
143.08333	0.5
144.08153	0.6
145.06499	0.6
145.07585	0.5
146.05997	37.6
147.04404	0.7
148.08717	0.5
149.07129	0.8
150.05547	0.8
150.06665	2.4
151.08606	0.5
152.08183	0.6
153.06612	0.9
156.04497	2.0
157.07623	0.5
158.05972	0.7
158.80998	0.4
160.07648	0.5
160.11186	0.8
162.05495	9.4
163.08676	1.4
164.08215	2.0
165.05493	0.6
165.09003	2.2
167.06956	0.6
167.08269	1.9
170.05989	0.6
170.09618	1.5
172.07578	0.7
172.11145	4.0
173.05865	0.7
173.07118	2.4
174.05431	4.1
175.07425	0.5
176.10738	0.9
177.06671	0.6
179.08423	0.6
182.08160	0.6
184.07433	0.4
184.10750	5.0
187.08678	0.6
187.12347	1.6
188.06981	2.5
189.06667	1.4
190.12193	0.5
191.08125	0.6
193.08580	1.6
194.09244	0.5
195.07645	5.8
197.10713	1.5
198.05479	1.6
198.09084	0.4
199.12273	0.4
200.07106	0.8
206.11829	0.6
207.07948	0.5
212.10239	2.7
213.06792	0.4
213.10257	0.4
214.05064	0.6
215.08157	0.8
215.11824	1.4
216.06511	4.0
216.12619	0.6
217.06125	0.9
217.13458	1.7
223.12506	0.4
224.11928	4.3
224.77693	0.4
225.10300	3.1
226.08672	0.5
226.13377	1.9
227.11806	2.1
231.07678	0.9
232.10861	1.4
233.12898	2.4
234.08783	5.6
234.11096	0.6
235.07414	0.8
240.10419	0.4
243.11377	0.9
250.08498	0.4
251.11440	3.5
252.11339	9.9
253.09709	2.1
254.12823	8.3
255.11369	0.6
259.07208	2.3
260.10199	6.6
261.12302	11.0
270.12418	0.5
276.09897	2.9
278.12952	1.6
279.11316	3.5
280.10779	4.8
281.09247	5.5
286.10687	5.8
287.05542	1.8
288.10147	0.5
294.12396	1.5
296.13837	0.6
297.12320	2.2
298.11786	7.3
302.07693	0.5
303.05118	0.7
307.12897	1.9
313.16653	2.4
322.11841	5.2
323.10217	4.3
339.14517	3.2
340.12888	3.7
346.32034	0.4
357.15527	11.3
374.22232	0.4
375.16635	2.1
378.14587	0.6
385.17572	4.2
392.12466	0.5
421.15076	1.4
492.22122	0.5
606.26318	1.7
615.22186	0.5
626.63416	0.5
632.24908	0.7
701.29382	5.1
798.34387	3.3
836.31915	0.4
878.33466	3.3
894.37909	1.7
895.36115	4.1
912.38678	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	910.5725
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33287	2.2
67.05498	27.3
69.07053	12.5
71.08630	25.2
79.05473	14.9
81.07038	92.4
81.07479	5.1
83.04960	6.1
83.08585	10.3
85.02913	11.9
85.10159	5.0
91.03919	5.1
91.05449	18.2
92.08954	12.2
93.07027	13.7
95.08576	29.8
95.33918	2.8
96.54197	2.6
97.02897	3.7
97.06514	10.5
97.10147	2.7
99.08025	2.7
104.97573	2.3
105.07011	37.0
107.08592	10.6
109.06516	4.4
109.10152	13.1
111.08053	2.7
111.11629	3.0
114.97035	2.6
118.07863	2.3
119.08558	27.7
121.10128	21.1
123.11681	30.1
147.11687	54.6
165.12715	26.9
229.14384	3.7
239.87128	2.7
267.15863	58.8
270.61096	2.7
273.76422	2.9
285.16876	75.0
319.83255	2.9
341.30478	74.9
551.42987	100.0
610.54999	2.6
651.72754	3.3
851.37720	3.5
902.91083	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	910.5724
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	20.8
67.64010	0.5
69.03414	4.9
69.07052	9.0
70.06360	0.4
71.04964	4.0
71.08315	0.5
71.08611	22.5
73.02875	4.1
79.05473	15.5
81.03394	44.9
81.07034	26.9
83.04961	10.7
83.08598	20.6
85.02885	28.5
85.06538	2.4
85.10165	12.9
87.04475	0.4
89.06001	0.5
91.03934	8.8
91.04469	0.6
91.05456	21.4
91.05993	0.9
92.08961	2.4
93.07019	12.7
95.04942	16.7
95.08579	18.7
97.02873	8.8
97.06490	3.2
97.10139	8.0
99.04453	0.9
99.08060	0.7
99.11710	0.7
103.07565	1.0
105.07015	15.7
107.04939	4.7
107.08571	5.8
109.06510	3.4
109.10134	7.3
111.04450	2.0
111.08057	7.2
111.11708	1.0
113.06007	1.7
117.06996	1.0
119.08556	15.1
121.06432	0.4
121.10099	6.9
123.08074	2.0
123.11695	4.1
125.09623	0.8
127.03909	2.5
129.06985	8.8
131.08539	8.1
133.06474	2.3
133.10104	10.4
135.11707	0.6
137.09604	1.0
137.13284	0.7
142.07822	1.7
145.04988	2.1
145.10138	1.0
147.08054	2.4
147.11659	10.9
149.09589	4.9
151.11192	2.6
151.14813	0.5
157.10100	11.7
161.09621	0.6
163.06052	2.0
165.12796	2.8
170.55563	0.5
175.11156	12.0
193.12201	31.3
211.13239	31.2
221.11717	0.6
232.63246	0.4
267.15820	12.9
267.26730	0.6
285.16891	49.0
285.27786	1.6
310.65875	0.4
313.16257	5.0
313.27344	4.8
341.30420	60.0
342.30878	1.0
457.88586	0.5
533.41901	14.7
551.43024	100.0
552.43451	2.5
562.37689	0.6
943.86627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05145	0.5
67.05494	15.4
69.03400	2.0
69.07056	7.2
71.04963	1.8
71.08616	18.4
73.02890	2.8
79.05473	5.6
80.69324	0.4
81.03405	7.3
81.07037	20.1
83.04948	2.5
83.08604	10.4
85.02892	20.0
85.06520	1.0
85.10165	12.8
89.06006	0.9
91.03928	5.9
91.05457	20.5
92.09132	3.4
93.07018	9.8
95.04949	2.8
95.08589	15.5
97.02869	10.3
97.06501	0.7
97.10141	4.5
99.00769	0.6
99.04426	0.9
103.05428	0.6
103.07559	0.6
105.07014	14.0
107.04941	4.4
107.08597	4.2
108.68627	0.4
109.02859	8.7
109.06506	3.0
109.10143	8.3
111.04389	1.8
111.08062	2.6
113.02348	32.2
113.05969	0.8
114.37632	0.4
117.06979	2.1
119.04885	0.5
119.08567	6.8
121.06488	6.9
121.10139	0.9
123.04413	0.8
123.08027	2.2
123.11694	5.1
127.02248	0.4
127.03880	2.2
128.06174	0.9
129.05461	4.1
129.06973	0.8
131.08511	1.0
133.06483	0.7
133.10104	45.9
135.08035	0.6
135.11612	0.6
137.05974	0.6
137.09599	0.9
137.13202	0.6
143.08546	4.6
145.04970	0.8
145.06435	0.6
147.08107	0.7
151.11157	14.4
153.06969	0.5
153.09064	2.1
161.09590	19.9
163.05997	0.9
165.09097	0.7
165.16364	0.4
171.08002	2.9
179.10641	23.8
189.09062	7.8
193.12263	2.3
207.10133	10.1
211.13264	4.6
225.11186	5.3
239.12715	2.9
239.23689	1.9
257.13898	0.6
257.24725	2.8
280.12326	0.5
281.13684	1.8
313.16403	100.0
313.27295	81.2
314.16751	0.9
341.30298	0.7
346.94208	0.6
427.00916	0.5
533.41992	0.5
549.95477	0.4
551.39313	68.7
552.39282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07053	100.0
70.17769	0.6
73.42171	0.7
81.03387	0.7
83.04968	3.8
87.08074	0.7
89.41898	0.7
92.09171	4.8
93.03356	1.2
96.71217	0.7
97.06502	3.1
102.30620	0.7
111.04415	12.7
129.09105	21.2
157.08600	5.4
171.72644	0.8
237.03909	0.8
263.81152	0.9
267.12231	4.0
425.59647	0.9
444.78360	0.8
545.22089	1.7
719.31134	1.1
857.36420	1.7
875.37732	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.536
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	20.5
69.03434	1.1
69.07043	10.5
69.66584	1.1
71.04939	1.4
71.08617	25.8
73.02913	1.9
78.05217	1.0
79.05466	6.3
81.03394	3.1
81.07034	20.8
83.08617	10.6
85.02887	16.9
85.06524	2.0
85.10158	14.0
91.03931	6.4
91.05470	20.2
91.96199	1.3
92.08660	4.6
92.09288	5.5
93.07016	11.4
95.04922	4.7
95.08575	21.5
97.02882	8.7
97.10167	3.1
102.80370	1.2
103.05499	1.4
105.07007	14.3
107.04945	2.5
107.08585	9.0
107.22160	1.3
109.02861	5.9
109.06484	1.8
109.10168	9.3
111.08080	4.8
113.02360	21.4
117.06997	1.4
119.08571	7.2
121.06451	6.4
121.10123	1.3
123.11687	5.3
127.03899	2.2
129.05438	2.2
131.08575	2.3
133.10107	38.2
133.11046	2.3
135.45547	1.1
137.09714	1.2
140.47527	1.3
143.08516	5.1
151.11176	13.2
161.09589	19.3
171.07942	1.4
179.10640	20.2
189.09090	6.2
206.33565	1.4
207.10179	7.4
211.13261	2.3
220.77112	1.2
225.11221	2.9
239.23622	1.7
313.16425	56.2
313.19824	2.8
313.27319	88.9
314.27856	2.1
551.39331	100.0
552.39246	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	909.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56693	0.3
67.05482	3.6
69.03419	4.2
69.07061	1.5
71.01324	0.4
71.04990	0.6
73.02893	5.3
79.05489	1.7
81.03407	2.9
81.07040	5.8
81.27233	0.4
83.04967	0.4
83.08619	0.6
83.43110	0.4
85.02892	7.5
85.03370	0.5
91.03918	4.4
91.05445	2.9
92.08845	3.4
93.07018	3.0
95.04922	0.7
95.08582	2.9
97.02868	7.9
97.06520	0.4
99.04454	0.7
105.07037	2.1
107.08596	1.8
109.02849	0.7
109.10171	0.7
119.08589	2.0
121.10088	0.8
123.11753	1.6
127.03938	2.0
127.07600	0.4
135.11719	0.4
147.11650	4.1
165.12762	1.4
185.04268	1.4
195.82106	0.4
203.05283	2.3
243.08344	2.6
251.12715	0.5
285.17026	0.7
307.15305	0.6
335.25714	0.6
347.09503	3.7
363.08856	0.4
365.10709	2.0
405.13556	4.3
425.21637	0.8
425.86246	0.4
469.20413	13.7
519.29480	4.4
549.40210	0.5
587.26550	0.5
631.25476	7.1
681.34320	4.1
698.36279	0.4
747.42004	1.6
901.03479	0.4
909.47937	100.0
910.47913	4.6
914.00037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.318
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	18.1
69.59259	0.2
71.01360	0.3
71.04964	2.7
73.02898	3.3
79.05474	2.9
81.03401	8.2
83.01341	0.5
84.04463	0.3
85.02892	100.0
86.03212	0.3
87.04451	2.1
91.03938	6.2
91.05470	0.9
92.08836	0.3
95.04951	1.2
96.04480	0.4
97.02871	30.8
98.05997	0.4
99.04434	5.3
101.02340	0.9
103.03971	0.4
105.03375	32.0
109.02867	10.2
113.39256	0.2
114.36922	0.2
115.03928	0.9
123.04408	8.9
126.05492	0.5
127.03896	27.7
142.41176	0.2
144.06549	1.9
145.04941	39.0
147.04445	1.0
161.34760	0.2
162.07613	1.3
163.03850	0.7
163.05984	15.0
180.08678	1.0
189.05405	0.4
231.06554	0.3
249.07599	1.0
249.98944	0.2
253.07124	0.3
267.08578	11.3
271.08102	0.8
285.09613	8.2
289.09189	2.3
302.02081	0.2
324.12762	1.5
325.11240	9.3
342.13812	0.4
390.51318	0.2
429.13834	1.0
464.17508	2.9
469.12967	0.5
588.99323	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	5.0
69.03417	5.6
69.07053	1.5
69.68706	0.2
71.01347	0.5
71.04961	0.5
72.97935	0.2
73.02895	6.5
75.38063	0.2
79.05460	3.4
81.03398	2.4
81.07033	6.3
81.80656	0.2
82.07364	0.4
83.04967	0.2
83.08611	0.5
85.02888	11.5
85.06504	0.3
87.04480	0.4
91.03934	5.6
91.05460	1.9
92.08839	1.6
93.07017	3.9
95.08589	3.7
97.02862	9.4
97.06518	0.4
99.04450	1.5
105.07001	1.6
107.08587	2.4
109.02850	1.7
109.10157	1.1
115.03927	0.3
119.08568	1.7
121.10130	2.3
123.11668	0.9
127.03929	2.2
131.08556	0.4
131.12199	0.3
133.10127	0.9
135.11710	0.4
144.68253	0.2
145.05014	0.5
145.10178	0.3
147.11688	2.5
149.13310	0.3
165.12737	0.8
185.04298	1.3
203.05278	1.3
235.67767	0.2
243.08336	2.6
251.12541	1.4
267.15836	0.3
269.12344	0.4
285.16849	0.3
287.13574	0.3
305.08261	0.2
307.15295	0.5
325.15289	0.3
335.25974	1.0
339.51300	0.3
347.09418	4.4
365.10559	1.7
405.13623	6.3
425.21106	0.4
469.20367	6.8
469.26968	0.3
484.29224	0.3
519.29126	7.7
587.27319	0.3
631.25787	3.1
631.35345	0.4
681.34534	8.4
747.42505	2.3
909.47955	100.0
910.48077	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	909.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	5.0
67.05849	0.3
69.03415	6.0
69.07070	1.3
71.01340	0.4
71.04977	1.0
73.02900	7.5
73.03284	0.3
79.05473	3.0
79.82186	0.2
80.16440	0.2
81.03397	2.7
81.03773	0.2
81.07037	7.4
81.07479	0.4
83.08612	0.4
85.02889	9.6
87.04454	0.4
91.03933	5.5
91.05467	2.3
92.09122	1.2
93.07021	4.2
95.04961	0.5
95.08578	2.9
97.02873	10.0
99.04466	1.5
103.03961	0.3
105.07007	2.4
107.08575	2.3
109.02906	1.0
109.10143	0.8
109.71152	0.3
115.03958	1.1
119.08588	1.7
121.10129	2.2
123.11708	1.6
127.03864	2.6
129.06958	0.3
131.08626	0.4
133.10147	1.0
135.11734	1.0
145.04936	0.3
147.11688	2.3
165.12790	0.6
185.04251	1.1
187.65215	0.3
190.92981	0.3
203.05362	1.2
215.11729	0.3
243.08376	1.9
251.12469	1.9
264.40936	0.2
269.12314	0.4
307.15152	0.3
335.25824	1.3
347.09467	4.0
351.79141	0.3
363.09024	0.4
365.10434	2.4
405.13571	5.6
425.21649	0.5
469.20340	8.7
519.29132	7.4
631.25623	3.1
681.34479	8.4
747.42902	2.4
909.47986	100.0
910.48615	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	909.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	3.4
69.03416	5.0
69.07072	0.7
71.01349	0.5
71.04970	0.4
73.02903	6.5
76.56362	0.2
79.05476	3.5
81.03394	4.5
81.07027	3.3
83.04971	0.6
83.08631	1.5
85.02888	10.3
85.06571	0.2
87.04459	0.3
91.03929	5.9
91.05461	3.5
92.09129	1.1
93.07026	3.5
93.07554	0.3
95.04957	1.2
95.08594	2.4
97.02875	9.4
97.06567	0.3
99.04469	1.3
104.80886	0.3
105.07021	2.2
107.04951	0.5
107.08614	2.0
109.02892	1.4
109.06545	0.3
109.10169	0.5
115.03932	0.5
117.07048	0.4
119.08581	1.5
121.10152	1.4
127.03905	2.5
129.06970	0.6
131.08585	1.4
133.10172	1.0
135.11691	0.7
139.11189	0.4
139.20181	0.2
145.05008	0.4
145.10136	0.4
147.11713	1.3
149.09613	0.3
157.10150	1.2
165.12759	0.3
170.37880	0.3
175.11176	0.4
185.04285	1.6
193.12308	1.6
203.05295	1.6
211.13425	0.3
237.67976	0.3
243.08371	3.3
251.12534	1.1
307.15262	0.4
316.42661	0.3
335.25769	0.4
347.09442	3.1
363.08969	1.0
365.10626	1.5
405.13629	7.5
469.20386	10.0
469.26974	0.4
519.29321	5.5
530.10736	0.3
631.25671	9.3
681.34369	4.0
747.42755	1.6
791.01898	0.3
909.47974	100.0
910.48145	2.9
920.82196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
64.70690	0.2
65.03932	0.2
67.05494	4.0
69.03413	5.2
69.03759	0.3
69.07047	1.0
71.01348	0.8
71.04984	0.8
73.02898	6.9
73.03294	0.4
78.94521	0.2
79.05474	3.7
81.03397	3.7
81.07038	4.8
83.01315	0.3
83.04962	0.3
83.08626	0.8
85.02889	11.2
85.11243	0.2
87.04465	0.8
91.03932	5.2
91.05461	3.0
92.08993	1.9
93.07025	4.1
93.69038	0.2
95.04945	1.1
95.08592	3.5
97.02869	9.9
98.71642	0.2
99.04456	1.1
103.03905	0.3
103.41064	0.2
105.07030	1.5
107.04971	0.3
107.08565	1.7
109.02834	1.5
109.10158	1.0
115.03934	0.4
117.07009	0.2
119.08574	1.4
121.10147	1.7
127.03873	2.8
129.07025	0.3
129.51083	0.2
131.08577	0.8
133.10149	1.1
135.11661	0.3
145.04962	0.9
145.10071	0.3
147.11717	1.0
157.10126	0.3
165.09102	0.2
175.11273	0.3
185.04256	1.1
193.12309	0.7
203.05302	0.9
211.13342	0.3
243.08372	2.7
249.53920	0.2
251.12521	1.4
259.07950	0.2
305.08920	0.2
335.25784	0.9
347.09500	3.1
363.09061	0.4
365.10367	1.8
405.13589	7.1
405.18585	0.3
433.02710	0.2
469.20331	5.0
519.29211	6.3
631.25653	3.5
681.34406	7.4
747.42316	1.5
822.96991	0.2
909.47949	100.0
910.48322	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	908.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	16.8
69.03410	3.6
69.07058	9.4
71.01315	0.8
71.04964	3.4
71.08614	22.2
73.02897	5.5
75.08915	0.7
79.05474	14.4
81.03392	8.6
81.07040	23.9
83.01331	8.8
83.04966	10.7
83.08602	15.9
85.02892	18.0
85.06528	1.0
85.10173	11.5
89.05997	0.8
89.82912	0.8
91.03924	10.7
91.05067	0.6
91.05466	11.3
92.09171	3.9
93.07022	22.5
95.04942	4.3
95.08585	20.4
95.09181	0.9
97.02872	8.8
97.06499	1.9
97.10147	6.5
99.04439	1.6
103.05451	1.0
105.07018	6.0
107.04943	6.6
107.08567	9.0
109.06498	8.1
109.10145	7.8
111.04390	1.3
111.08095	1.0
111.11704	1.7
117.06989	7.4
119.08544	7.1
121.06480	3.4
121.10141	7.8
123.08094	6.1
123.11716	1.0
125.05952	1.0
127.03918	1.6
129.05450	0.8
129.06964	1.1
131.08560	3.5
133.10106	1.0
135.11673	11.5
137.09586	3.0
137.13219	1.1
145.04964	1.9
145.06375	0.9
145.10088	14.3
147.07996	1.0
152.20544	0.8
153.12689	1.7
155.08537	0.9
159.06487	0.9
163.05962	1.9
163.11140	22.2
173.09590	1.8
181.12228	1.5
191.10634	3.6
209.02820	0.9
209.11700	5.3
227.12753	1.5
257.00400	0.8
257.80859	0.8
259.05728	0.8
283.15344	100.0
285.27789	1.1
303.35654	0.8
341.30435	85.6
414.86560	0.9
424.74774	1.0
538.30298	0.8
549.41364	69.0
856.39648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	0.8
67.05493	25.3
68.51246	0.5
69.03414	3.9
69.06667	0.9
69.07054	27.8
71.04964	4.4
71.08613	3.6
73.02897	4.8
79.05473	17.1
81.03402	42.8
81.07043	34.3
81.07535	0.8
83.04964	12.4
83.08604	30.5
85.02892	29.4
85.03416	0.7
85.06521	2.5
85.10170	0.8
91.03930	6.8
91.05463	21.6
92.08701	1.2
92.09252	1.2
93.07024	18.3
95.04945	17.7
95.08585	23.6
97.02880	8.7
97.06513	3.7
97.10149	13.4
99.04459	0.7
99.08062	2.2
103.85154	0.5
105.07023	15.6
105.07691	0.6
106.87092	0.5
107.04939	3.9
107.08578	10.0
109.02870	2.0
109.06503	2.4
109.10130	10.3
111.04462	1.2
111.08070	9.7
111.11719	2.2
113.05983	1.1
115.03946	0.6
119.08562	15.8
121.10121	13.1
122.10456	0.5
123.08048	0.8
123.11689	2.5
125.09579	1.2
127.03901	2.4
129.06956	7.9
131.08559	8.0
132.69897	0.5
133.06509	2.1
133.10106	8.2
135.11681	5.7
137.09622	0.8
137.13234	1.1
142.07799	2.3
145.04951	2.3
145.10121	1.0
147.08055	2.7
147.11691	11.5
149.09601	5.7
149.13232	2.2
151.14803	0.6
157.10121	10.3
163.05988	1.9
163.11052	0.7
163.14851	0.9
165.12717	3.0
175.11171	10.9
193.12213	35.6
204.25060	0.5
206.59109	0.6
210.40764	0.6
211.13257	35.6
220.24040	0.6
247.24075	0.7
265.25269	1.1
267.15869	10.8
285.16910	43.9
339.28879	44.3
340.29269	0.7
531.40320	12.2
544.42047	0.6
549.41418	100.0
550.41870	3.7
859.55957	0.6
861.33197	0.7
877.16864	0.7
929.88055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	34.7
69.03391	2.3
69.07053	50.5
71.04971	4.4
71.08637	2.9
73.02900	3.2
77.78033	2.5
78.10309	1.9
79.05486	25.0
81.03373	3.7
81.07036	97.2
83.04960	2.8
83.08602	28.4
85.02889	19.6
85.06525	2.6
91.03951	3.8
91.05468	23.6
92.08598	3.1
92.09126	12.1
93.07030	19.5
95.08585	43.4
97.02857	5.4
97.06483	3.4
97.10150	12.6
99.08070	4.0
105.07005	43.2
107.08577	15.2
109.06500	3.7
109.10161	13.0
111.11728	3.5
119.08572	27.6
121.10138	31.4
121.76336	2.1
123.11675	35.0
127.03898	2.6
136.50076	2.2
147.11668	75.4
147.12865	2.6
157.10123	2.2
165.12700	28.0
201.16374	2.2
229.14505	2.6
267.15860	76.9
285.16849	65.1
339.28894	80.4
340.29395	2.5
549.41394	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	907.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
64.55555	0.3
67.05489	5.1
69.03420	5.0
69.07048	1.7
71.01352	1.1
71.04987	1.5
73.02893	6.4
73.88754	0.2
74.00772	0.3
79.05482	5.4
81.03394	3.8
81.07040	4.7
83.04973	1.1
83.08591	1.3
85.02888	10.1
85.03367	0.5
87.04459	0.4
91.03947	6.0
91.05451	3.1
92.09094	1.5
93.07027	5.3
95.04956	1.2
95.08591	3.1
97.02869	9.7
97.06528	0.4
99.04456	1.8
101.02363	2.5
103.03913	0.3
105.07036	1.6
107.04925	0.5
107.08601	1.9
109.02905	1.2
109.06520	0.4
109.10168	1.6
115.03954	0.6
117.07011	0.5
119.08567	1.6
121.10149	2.2
123.08064	0.6
123.11700	0.4
125.09556	0.5
127.03880	2.6
131.08597	0.5
135.11700	1.7
145.04967	0.4
145.10146	1.4
147.11655	0.5
153.12740	0.3
163.11166	2.2
181.12283	0.4
183.23570	0.3
185.04234	1.2
203.05370	1.2
243.08353	3.7
249.11093	0.5
277.13541	0.3
283.15500	1.6
284.15912	0.4
305.13492	0.4
335.25839	1.3
336.26144	0.4
347.09375	3.2
365.10620	1.6
405.13596	7.6
415.45074	0.4
434.90991	0.4
467.18820	8.7
489.35846	0.4
519.29114	5.1
546.38483	0.4
547.39972	0.4
629.24066	7.7
681.34351	4.1
745.41547	2.1
814.01953	0.4
825.99878	0.4
906.50836	0.5
907.46454	100.0
908.46851	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	907.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	4.0
69.03413	5.8
69.07057	1.0
71.01342	0.4
71.04981	1.0
73.02898	6.3
79.05483	4.2
81.03394	3.0
81.07035	4.4
82.11363	0.2
83.01315	0.4
83.04945	0.8
83.08607	0.8
85.02890	10.0
87.04453	0.2
91.03926	5.1
91.05450	2.8
92.08897	0.5
93.07018	3.9
95.04967	0.9
95.08581	3.0
96.08874	0.2
97.02872	9.3
97.06515	0.2
99.04453	1.4
101.02357	3.0
103.03970	0.4
105.07030	1.6
105.55772	0.2
107.08598	2.2
109.02885	1.3
109.06493	0.4
109.10153	1.3
109.22026	0.2
112.37542	0.2
115.03922	0.3
115.94497	0.2
117.07030	0.4
119.08578	1.5
121.10114	1.7
123.08035	0.3
127.03864	2.7
131.08527	0.9
133.10129	1.0
135.11687	1.2
145.04974	0.8
145.10193	1.2
147.11679	0.4
149.09657	0.3
149.13284	0.3
158.42914	0.3
163.11101	0.9
185.04222	1.4
195.12866	0.3
203.05241	0.5
243.08260	2.1
249.10991	0.8
283.15411	0.3
335.25867	1.0
337.26608	0.3
347.09479	3.2
365.10654	1.0
405.13605	5.3
436.29434	0.3
467.18735	4.7
519.29199	6.3
547.39423	0.5
548.40350	0.3
629.24091	3.1
681.34448	6.3
745.41168	1.0
860.88690	0.3
873.96912	0.3
907.46448	100.0
908.46906	4.6
934.70392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	7.0
67.21106	0.4
69.03410	6.3
69.07064	2.2
71.01331	0.8
71.04976	0.7
73.02896	6.9
74.31584	0.3
79.05476	5.7
81.03403	3.6
81.07037	6.5
82.05222	0.3
83.04975	0.5
83.08599	1.2
84.87941	0.4
85.02892	9.3
85.06573	0.4
91.03948	4.4
91.05457	3.7
92.08913	0.4
93.07019	6.3
95.04960	1.3
95.08587	6.1
97.02863	8.8
97.06507	0.7
99.04454	1.9
101.02354	2.8
103.03959	0.5
105.07002	2.3
107.08578	3.0
109.02910	1.5
109.10175	2.1
115.03973	0.5
117.07022	1.4
119.08599	2.0
121.10091	2.8
123.11711	0.4
127.03912	2.2
131.08586	0.7
133.10114	1.4
135.11646	3.6
145.04951	0.5
145.10153	1.9
147.11731	0.4
154.43919	0.4
159.11719	0.6
163.11124	2.3
169.42717	0.3
181.12234	0.5
183.02486	0.3
185.04337	0.7
187.64130	0.4
203.05325	0.7
227.12787	2.3
243.08316	3.4
249.10919	10.4
271.05609	0.3
305.13745	1.6
335.25882	1.3
336.26022	0.5
347.09457	3.3
363.08951	0.5
365.10733	0.8
405.13583	7.5
467.18765	6.0
503.37308	0.4
519.29193	8.9
545.38550	0.5
546.38831	0.5
547.39606	1.5
548.39948	0.7
629.24097	4.8
681.34564	9.8
681.45172	0.6
683.71417	0.4
745.40826	1.7
907.46429	100.0
908.46826	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	906.6139
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01810	7.0
67.05491	36.2
69.03429	12.9
69.07045	35.6
71.08622	17.1
71.86968	6.3
74.04982	6.0
81.03405	71.5
81.07040	42.7
83.08598	12.6
84.53159	7.8
85.02911	11.3
85.10162	9.7
92.09191	21.3
95.08582	62.2
97.02866	37.1
99.04403	9.6
107.08556	8.0
109.02853	81.8
109.10163	15.4
117.05477	82.0
118.20184	7.0
123.11746	10.1
127.03864	60.6
149.48091	7.0
159.06506	44.1
186.59244	7.6
187.05989	12.7
211.20474	9.9
239.23698	10.0
245.10999	7.5
247.08247	9.1
257.24631	11.3
467.44440	100.0
607.49298	17.8
625.50311	8.9
711.01074	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	906.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89005	1.1
66.39388	1.1
67.05493	19.6
69.03404	1.8
69.07059	28.4
71.04973	2.5
71.08601	2.0
73.02889	5.8
74.78843	1.1
75.46479	1.2
79.05042	1.7
79.05468	21.4
81.03396	7.4
81.07040	28.0
83.01331	8.6
83.04958	10.1
83.08602	26.6
83.97292	1.0
85.02897	15.3
86.62701	1.1
91.03931	10.5
91.05473	10.2
92.08887	11.2
93.07022	34.3
95.04951	5.2
95.08580	19.6
97.02861	12.4
97.06509	5.2
97.10129	10.9
99.04445	2.7
105.06999	9.4
107.04926	7.8
107.08568	19.3
109.06482	6.5
109.10131	9.4
111.08048	1.2
111.11703	1.7
117.06989	6.9
119.08530	8.2
121.06501	2.7
121.10122	11.4
123.08024	9.8
123.11700	1.8
127.03921	2.9
128.90219	1.3
129.06969	1.9
133.10069	1.7
135.11707	14.3
145.04936	1.7
145.10110	11.8
153.12703	2.7
155.08540	1.8
163.11154	22.7
173.09579	2.6
181.12227	1.6
191.10602	1.8
209.11694	5.1
224.87434	1.2
225.80144	1.2
227.12750	1.9
280.40717	1.4
283.15353	100.0
339.28888	77.4
342.95880	1.5
537.97162	1.5
547.39868	63.6
698.92511	1.3
914.69092	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33489	0.8
65.03912	1.6
67.00357	0.7
67.05491	99.7
69.03406	3.6
69.07051	14.2
71.01355	0.8
71.04974	20.1
73.02900	3.7
79.05471	38.8
81.03414	3.2
81.07035	44.4
83.04971	3.7
83.08607	7.9
85.02879	10.7
85.06522	3.7
90.13419	0.9
91.03916	7.1
91.05463	26.3
92.08777	1.2
92.09229	1.4
93.07019	45.8
95.04957	5.0
95.08580	34.4
97.02871	7.9
97.06506	6.3
97.10132	3.2
97.44443	0.7
99.04412	1.0
105.07014	14.8
107.08572	25.0
109.02872	1.1
109.06505	1.6
109.10139	70.8
111.08066	3.6
117.07000	6.9
119.08549	17.4
121.10118	18.1
123.08051	0.9
123.11687	3.6
127.03862	1.3
131.08545	7.7
133.10109	9.6
135.08035	0.9
135.11655	16.0
137.09578	9.1
143.08577	1.2
145.04930	0.9
145.10094	7.2
147.11667	6.8
149.13234	4.9
151.54385	0.7
155.28326	0.8
159.11626	5.9
161.13280	1.4
163.05963	1.3
163.11165	3.2
167.39473	0.8
169.12280	1.1
173.11711	8.8
173.13228	4.5
181.12312	0.8
187.14835	1.5
191.14154	0.9
193.12160	0.9
229.14359	0.9
243.15833	1.7
255.15822	4.6
261.22198	1.8
287.18454	12.3
335.25729	20.6
397.31601	1.3
471.34622	2.9
479.34476	0.9
489.35669	77.9
490.35852	1.5
515.37286	18.1
547.39844	100.0
548.39874	1.5
691.43817	1.4
906.50732	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
65.41251	1.0
67.05502	4.7
69.03420	5.5
69.07054	1.1
73.02914	6.1
73.75137	0.9
75.98317	0.8
79.05494	5.1
81.03398	2.0
81.07047	6.6
85.02874	9.2
91.03962	4.4
91.05491	5.2
93.07040	5.2
95.04942	1.3
95.08583	4.4
97.02850	7.2
99.04488	1.2
101.02371	1.5
105.07027	2.4
105.62389	1.0
107.08604	2.3
119.08578	2.2
121.10197	1.7
127.03932	3.8
147.11766	1.3
160.19888	1.1
185.04144	1.1
191.38524	0.9
197.87288	1.0
233.64598	0.9
243.08514	1.6
257.40659	1.0
262.34979	0.9
283.15512	1.8
286.96533	1.0
347.09711	1.5
392.25616	0.9
405.13895	6.4
465.20959	5.7
519.28766	7.9
627.26239	4.6
639.29773	1.0
681.33966	7.9
752.83002	1.1
905.48419	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	906.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.9
67.05491	100.0
69.03411	2.0
69.07057	15.9
71.04972	18.7
73.02884	4.4
79.05472	39.7
81.03393	4.2
81.07038	45.9
83.04972	4.7
83.08602	10.0
85.02883	13.6
85.06513	2.9
90.26966	1.0
91.03945	8.2
91.05459	22.7
93.07018	46.4
95.04951	5.2
95.08584	31.9
97.02886	8.8
97.06509	4.0
97.10117	2.0
105.04488	1.0
105.07007	14.9
107.04906	1.1
107.08577	23.4
109.06473	1.0
109.10139	69.6
111.08052	2.2
117.07014	7.0
119.08553	19.9
121.10120	18.6
123.11671	1.7
127.03905	1.5
131.08574	8.7
133.10068	9.0
135.11668	16.7
137.09618	10.0
145.04956	1.1
145.10147	7.5
147.11655	5.4
149.13275	4.1
155.10622	3.8
159.11705	4.3
161.13266	1.2
163.06020	1.6
163.11183	1.5
163.14709	0.8
169.12289	1.0
173.11699	10.0
173.13098	2.8
175.14824	1.2
181.12227	1.0
189.16434	0.9
200.80624	0.9
229.14207	1.0
255.15837	4.6
259.20755	1.0
261.22070	2.1
287.18427	12.8
335.25754	24.2
354.66290	0.9
363.18402	1.0
471.34698	2.0
489.35654	79.4
503.37189	2.1
515.37360	15.4
533.37823	1.4
547.39850	95.3
548.39911	2.1
906.50934	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	904.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.0
67.05488	52.1
69.03415	2.5
69.06668	0.6
69.07049	19.7
71.04961	4.1
73.02890	5.2
79.05470	34.6
81.03396	2.0
81.07036	100.0
82.07354	0.6
82.83591	0.4
83.04966	5.4
83.08602	9.5
85.02413	0.9
85.02891	14.4
85.06528	4.1
91.03938	8.8
91.04885	0.9
91.05456	27.8
91.30824	0.5
92.09089	0.5
93.06406	0.7
93.07019	36.5
95.04972	4.3
95.08583	42.5
97.02867	7.0
97.06503	6.6
97.10145	2.6
99.04464	1.7
99.08054	5.0
101.06017	1.1
105.04514	0.5
105.07009	40.6
107.08568	25.6
109.06487	5.7
109.10138	12.2
111.08062	1.7
113.06000	0.8
115.03960	0.7
115.07586	0.5
117.06988	3.8
119.08556	32.5
121.10115	31.0
123.08045	4.0
123.11678	31.3
127.03900	2.4
127.07555	2.7
129.06987	1.7
131.08528	8.1
133.10092	7.6
135.11649	9.2
137.09608	0.8
137.13251	3.0
143.08580	0.7
145.04984	2.2
145.10121	5.4
147.11661	65.9
149.09590	0.6
149.13237	6.2
157.10130	2.8
159.11597	3.3
161.13173	3.4
163.06015	2.2
163.11098	0.6
163.14832	3.2
165.12708	24.3
165.14105	0.9
173.13248	2.7
175.11162	3.1
175.14809	0.7
177.12709	0.5
180.52342	0.4
183.13864	2.6
187.14816	2.4
193.12274	2.0
194.48036	0.5
201.16595	0.7
229.14363	3.1
243.21040	3.8
261.22073	18.0
267.15848	48.3
268.16190	0.5
277.21692	0.6
279.23083	2.4
285.16895	67.8
286.17221	0.9
317.24805	1.9
335.25720	60.4
352.40515	0.4
353.26929	3.4
371.34283	0.5
453.33701	0.6
471.35092	1.5
527.37109	7.6
539.04974	0.5
545.38251	62.5
546.38672	2.0
563.39343	6.7
640.22412	0.6
776.28052	0.6
905.48767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	2.2
67.05492	56.4
68.05803	0.2
69.03410	3.3
69.07054	20.3
71.04976	3.8
71.08607	0.3
71.40856	0.2
73.02908	4.2
73.06538	0.9
77.03902	1.0
79.05472	37.7
81.03393	3.1
81.07037	100.0
82.07369	0.4
83.01364	0.3
83.04962	5.4
83.08109	0.5
83.08599	10.6
85.02889	13.9
85.06525	4.8
87.04465	0.3
91.03931	7.6
91.05459	29.2
92.09119	1.0
93.07022	40.7
94.07378	0.4
95.04945	4.9
95.08582	46.9
96.04491	0.5
97.02872	7.8
97.06503	6.7
97.10133	2.6
99.04440	1.7
99.08065	4.2
101.06001	1.0
103.05465	0.3
105.04557	0.4
105.07011	35.8
107.04938	0.5
107.08575	26.1
108.91763	0.2
109.06493	5.6
109.10139	15.0
110.10402	0.2
111.08061	2.1
113.06008	1.2
115.03891	0.4
115.05471	0.3
115.07582	0.4
117.06989	4.9
119.08557	30.7
121.06526	0.4
121.10119	31.6
122.10415	0.4
123.08039	4.9
123.11678	27.4
125.09625	0.9
127.03900	2.4
127.07517	2.4
129.06982	2.3
131.08539	9.1
133.10104	9.1
135.08075	0.3
135.11671	10.4
137.09589	1.5
137.13213	2.9
141.09114	1.0
142.07837	0.3
143.08588	0.3
145.04965	2.1
145.10100	6.0
147.11665	59.9
148.12054	0.3
149.09624	1.4
149.13225	5.7
151.11188	0.3
153.18768	0.3
157.10106	2.7
159.11659	4.0
161.13245	3.3
163.06049	1.8
163.11157	1.0
163.14784	2.2
165.12714	19.6
171.11629	0.4
173.13219	3.7
175.11169	2.3
175.14801	1.2
177.16356	0.5
178.40314	0.3
183.13757	1.8
187.14821	2.1
191.14229	0.3
193.12248	1.9
201.16467	0.4
211.13216	0.4
219.17404	0.3
229.14240	2.7
233.22533	0.3
243.21072	4.0
246.05244	0.3
261.22055	13.6
267.15860	47.1
279.23187	2.3
283.15424	1.0
284.15805	0.3
285.16901	49.5
286.17267	0.4
299.23911	0.2
317.24670	1.9
335.25735	97.0
336.26096	2.2
337.26657	0.4
353.26614	1.8
453.33154	0.7
471.34454	1.0
527.37140	4.6
544.37231	0.4
545.38257	62.6
546.38519	2.1
563.39160	4.5
598.94489	0.2
602.08142	0.2
623.26294	0.2
905.50568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00053	0.6
65.03927	1.0
67.05489	44.7
68.05816	1.4
69.03404	4.4
69.07052	12.7
71.04967	4.9
71.08593	0.8
73.02895	3.1
79.05470	35.5
80.05785	0.7
81.03397	38.0
81.07034	51.8
82.07413	1.2
83.01314	1.3
83.04960	13.5
83.08597	16.9
85.02883	25.1
85.06514	1.2
91.03947	7.2
91.05454	28.2
92.09175	0.8
93.07021	37.4
94.07356	1.5
95.04942	20.6
95.08581	31.5
96.08909	1.3
97.02855	8.3
97.06503	3.6
97.10145	2.8
105.06371	1.4
105.07015	24.3
107.04932	4.9
107.08576	22.0
108.08895	1.0
109.06500	4.7
109.10123	10.8
111.04412	1.6
111.08077	6.9
113.05980	1.3
115.05452	0.7
117.07014	6.0
119.08551	22.2
121.06496	0.9
121.10104	20.0
123.08020	4.4
123.11630	5.2
125.05982	0.8
125.09624	1.1
127.03881	1.7
129.06976	5.0
131.08530	15.7
133.06467	1.6
133.10100	12.1
135.08022	1.3
135.11667	9.6
136.12006	0.7
137.09578	1.2
139.95612	0.7
142.07767	1.0
143.08574	1.1
145.04921	1.2
145.10068	8.2
147.08011	3.0
147.11673	15.6
149.09540	5.2
149.13202	5.2
153.12738	0.9
157.10085	7.4
159.11671	4.1
161.13202	3.2
163.11166	5.1
163.14830	0.9
164.11487	1.5
165.12717	3.6
173.13206	3.2
175.11169	10.4
193.12204	24.2
211.11354	1.4
211.13263	26.9
227.12602	1.2
243.21042	1.2
259.20615	0.8
261.22073	6.4
267.15787	7.7
268.16217	0.7
283.15256	7.4
284.15656	3.6
285.16861	26.3
335.25732	36.3
336.26254	7.4
337.26627	1.3
471.34634	1.2
485.74588	0.9
527.37115	8.4
543.36279	3.4
544.37018	7.6
545.38208	100.0
546.38434	3.2
563.38550	1.0
684.59918	0.8
784.90540	0.9
853.00140	0.8
904.47687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.6
67.05491	47.6
69.03412	4.0
69.07055	13.1
71.01333	0.4
71.04971	3.8
73.02901	3.5
79.05473	38.0
81.02711	0.4
81.03400	42.9
81.07037	52.3
82.90810	0.3
83.04965	11.8
83.08601	18.6
85.02887	31.3
85.06541	2.5
87.04448	0.4
91.03935	6.5
91.05458	32.3
92.08993	3.1
93.07019	42.7
95.04947	18.8
95.05581	0.3
95.08580	33.1
96.04427	0.3
97.02865	9.5
97.06506	4.1
97.10160	4.4
99.04465	1.1
99.08071	1.9
103.05506	0.4
105.04517	0.6
105.07013	25.8
107.04940	4.8
107.08574	21.0
109.02910	0.4
109.06496	4.0
109.10141	12.9
109.10853	0.6
111.04426	2.0
111.08060	6.5
113.05997	1.6
115.03960	0.4
115.05456	1.2
117.06985	4.9
119.04928	0.3
119.08556	20.3
121.06464	1.6
121.10118	18.1
123.08023	2.3
123.11679	4.6
125.09648	1.2
127.03910	1.7
128.06238	0.3
129.06982	8.3
131.08540	15.0
133.06483	1.8
133.10104	14.1
135.08038	0.5
135.11674	9.6
137.09619	1.7
137.13226	1.2
141.07054	0.3
142.07770	2.1
143.08533	1.2
145.04930	2.2
145.10097	6.2
147.08051	2.6
147.11668	13.1
149.09598	5.7
149.13237	3.4
151.11174	0.5
153.12756	0.4
157.10097	12.0
157.11363	0.5
159.11679	4.1
161.13234	2.0
163.05963	1.6
163.11137	0.5
163.14825	1.7
165.12679	2.1
171.11653	0.4
173.13251	1.9
175.11148	9.8
175.14835	1.2
183.11549	0.5
187.14801	1.0
193.12199	24.5
211.13246	24.2
227.12822	0.5
243.20946	2.4
258.95654	0.3
261.22107	6.9
267.15842	8.3
285.16907	34.7
286.17429	0.5
299.23828	0.4
317.24805	1.8
335.25726	55.2
336.26062	0.7
356.32886	0.4
405.14261	0.3
435.32516	1.7
452.91800	0.3
453.33676	1.1
471.34631	1.3
473.32980	0.3
509.36285	0.5
527.37213	14.4
545.38257	100.0
546.38574	3.6
563.39349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.9
67.05491	51.0
69.03428	7.3
69.07056	15.6
71.04974	5.6
73.02906	5.3
79.05476	47.3
81.03402	54.9
81.07037	59.1
83.04964	17.8
83.08606	20.5
85.02891	39.7
85.06552	2.3
91.03941	7.7
91.05459	46.1
92.09148	5.1
93.07024	48.9
94.40470	1.2
95.04954	24.9
95.08586	33.7
95.24354	1.3
97.02846	11.1
97.06446	3.7
97.10159	6.5
105.07017	28.2
107.04964	7.4
107.08576	18.7
109.06523	6.9
109.10123	13.5
111.04460	2.7
111.08042	10.5
113.06007	2.4
117.07031	7.8
119.08560	28.5
121.06550	1.4
121.10128	19.2
123.08078	2.1
123.11692	2.6
125.09644	1.4
127.03918	2.7
129.06979	11.0
131.08549	17.5
133.06487	2.6
133.10120	19.9
135.11676	9.9
137.09613	1.9
138.65643	1.3
142.07750	1.6
145.04970	1.3
145.10112	7.0
147.08054	2.7
147.11690	16.5
149.09608	7.4
149.13248	5.2
157.10100	15.1
159.11694	4.8
163.05934	1.6
163.11171	1.5
165.12698	2.1
175.11168	12.5
185.13292	1.5
187.14745	2.0
193.12227	36.8
211.13269	38.6
243.21109	2.4
261.22159	8.8
267.15936	12.4
285.16913	49.7
317.24554	1.7
335.25751	52.8
505.57562	1.3
527.37488	17.1
545.38257	100.0
546.39056	1.8
746.22217	1.6
847.89496	1.7
917.68256	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.51
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	3.0
67.05487	61.0
69.03411	7.1
69.07049	17.2
71.01335	1.0
71.04967	8.6
71.08591	0.8
72.91532	0.5
73.02895	8.6
79.04988	1.1
79.05468	60.8
81.03395	19.8
81.07031	75.9
83.01321	15.3
83.04958	19.1
83.08592	21.8
85.02884	33.3
85.06533	3.0
91.03929	17.1
91.05453	34.1
92.08997	5.8
93.07016	76.8
95.04936	14.2
95.05501	0.7
95.08575	52.9
96.04462	1.0
97.02861	16.1
97.06499	8.4
97.10130	5.9
99.04431	5.3
99.08077	1.4
103.05445	0.7
105.07005	28.3
107.04937	10.0
107.08569	43.5
109.02869	2.2
109.06490	12.6
109.10130	18.7
111.04425	3.5
111.08067	3.4
115.05460	0.6
117.06983	17.3
119.08556	24.8
121.06480	4.5
121.10115	29.1
123.08040	15.2
123.11657	4.2
125.05965	1.1
125.09595	4.6
126.05464	0.6
127.03900	5.0
128.06206	0.6
129.06920	4.2
130.07822	1.1
131.04913	0.6
131.08531	18.3
133.10085	11.4
133.10986	0.6
135.08025	4.0
135.11665	24.4
137.09599	3.3
137.13228	1.1
139.07535	0.6
143.08536	3.3
145.04948	5.3
145.06479	1.2
145.10088	29.7
147.08031	3.4
147.11685	7.4
149.09592	2.4
149.13232	8.0
151.11154	1.0
153.12701	5.3
155.08536	3.9
157.10092	1.3
159.11630	5.9
161.13205	4.3
163.05962	3.2
163.11136	33.6
163.12482	1.2
163.14769	5.3
171.11729	0.6
172.30577	0.6
173.09610	4.4
173.13176	7.5
175.11223	0.8
175.14793	2.5
181.12144	4.8
183.11716	0.7
187.14839	3.1
189.11099	2.0
191.10660	3.5
193.12236	2.3
201.16385	1.0
209.11661	5.4
211.13211	0.8
227.12732	9.6
243.21013	5.1
259.20636	0.9
261.22070	15.5
267.15872	3.9
268.16098	0.9
283.15329	100.0
284.15475	0.7
292.39676	0.7
299.23700	5.8
313.27225	1.4
314.27618	1.1
317.24808	4.7
333.24185	2.8
335.25705	69.2
336.26135	0.8
415.29767	0.6
433.30743	2.8
451.31970	4.2
469.33078	2.9
487.34024	1.1
506.38834	0.9
515.37128	1.2
525.35681	8.8
543.36700	75.5
544.36633	2.3
561.37823	9.2
740.18671	0.8
759.35968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03875	2.2
65.81479	0.4
66.30575	0.4
67.05490	66.0
67.05833	2.9
69.03410	7.4
69.07052	15.7
71.01308	1.6
71.04975	4.7
71.08612	3.1
73.02902	9.0
77.03853	0.5
79.05473	62.7
81.03398	19.3
81.07036	76.2
83.01324	11.2
83.04959	17.4
83.08601	22.7
84.21936	0.4
84.82793	0.4
85.02888	31.0
85.06483	3.1
85.10117	0.5
87.04375	0.7
91.03407	0.7
91.03932	16.1
91.05453	34.6
91.56179	0.5
92.08996	1.0
93.07018	80.2
95.04945	13.4
95.08582	54.2
96.04441	1.0
96.05199	0.4
96.08888	0.6
97.02863	18.0
97.06512	7.8
97.10144	7.7
99.04439	4.6
99.08043	0.8
103.05431	1.0
105.04450	0.6
105.07011	31.1
107.04929	10.1
107.08575	46.7
109.02809	2.0
109.06497	10.7
109.10136	22.4
111.04408	3.7
111.08073	3.7
111.11697	0.6
113.05941	0.5
115.03876	1.8
115.05433	0.7
117.06993	17.5
119.08559	25.1
121.06477	4.1
121.10117	31.1
123.04337	0.6
123.08030	12.2
123.11676	6.4
125.05907	1.8
125.09605	4.4
127.03897	5.6
127.87987	0.5
129.06956	4.3
130.07660	2.5
131.08536	20.0
133.06360	0.5
133.09204	0.6
133.10109	13.2
135.08038	4.4
135.11667	28.3
137.09599	3.2
137.13174	0.9
139.07423	0.6
139.11188	0.7
143.08545	3.3
145.04951	4.4
145.06384	2.1
145.10104	30.2
147.08028	3.1
147.11668	8.9
149.09549	2.6
149.13226	7.6
153.12718	4.5
155.08543	3.1
157.10036	2.5
159.11665	7.8
161.09550	0.6
161.13210	8.2
163.06004	5.2
163.11143	28.5
163.14792	3.8
165.12679	0.5
169.10045	0.8
171.11592	2.2
173.09564	3.9
173.13225	6.9
175.11111	0.5
175.14749	2.2
177.16292	1.7
181.12271	4.5
183.11670	0.9
185.13177	0.9
187.14728	2.8
189.11171	2.3
191.10600	3.0
193.12180	1.9
197.13322	0.5
199.14740	0.9
201.16290	0.9
209.11641	5.6
211.13242	0.6
214.14706	0.6
227.12708	8.4
241.19424	0.6
243.20952	4.7
259.20563	2.2
261.22064	19.4
267.15860	5.9
268.16095	2.5
273.22098	0.6
283.15335	86.2
285.16968	0.8
292.16122	0.5
299.23605	4.5
313.27225	4.0
314.27679	3.0
317.24649	4.7
333.24265	2.5
335.25726	90.8
336.26089	0.8
340.03226	0.6
406.48416	0.5
433.31082	2.2
441.87186	0.5
451.32022	3.8
469.33124	2.5
487.34076	0.8
505.39200	0.9
506.39078	3.8
515.37366	0.7
525.35730	10.9
543.36688	100.0
544.36902	2.0
554.22626	0.5
561.37811	9.4
899.71899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	0.8
67.05492	35.8
69.03417	0.9
69.07050	9.5
70.43960	0.4
71.04973	2.0
71.08602	1.0
73.02885	1.7
73.06530	0.8
77.83292	0.4
79.05472	44.4
79.34972	0.4
81.03393	4.3
81.07035	38.9
82.75654	0.3
83.04974	6.7
83.08598	5.0
85.02882	5.1
85.06518	1.9
85.10128	0.4
91.03933	1.8
91.05459	32.9
92.09108	3.2
93.07019	45.8
95.04950	10.5
95.08578	29.6
97.02856	3.1
97.06512	2.7
97.10150	2.6
99.04446	0.4
99.08012	0.5
105.04521	0.6
105.07010	21.7
107.04926	2.7
107.08570	17.5
109.06504	2.7
109.10139	9.4
111.08079	0.7
117.07005	5.8
119.08557	15.8
121.06516	0.9
121.10123	10.7
123.08035	2.6
123.11683	2.3
125.09639	0.4
127.03854	0.6
128.06227	1.6
129.06963	7.4
131.08557	6.2
133.10091	8.3
135.11671	4.9
143.08517	5.8
145.10089	6.7
147.11662	15.7
149.13242	3.1
151.11153	0.5
156.09370	0.6
159.11682	2.2
161.09616	1.7
161.13206	5.4
163.14909	0.5
171.11647	10.4
173.13228	1.0
187.14853	0.7
189.12730	3.7
207.13757	5.3
243.21025	0.7
261.22006	3.5
279.15887	0.8
281.17404	17.7
313.27164	0.7
335.25723	32.2
335.57498	0.5
508.50845	0.4
541.38788	100.0
542.39111	2.0
559.39862	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.51
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77381	0.3
65.03878	2.0
67.05491	41.3
69.03363	2.2
69.07053	12.3
69.54697	0.3
71.04984	2.8
71.08563	0.6
73.02901	2.6
76.73276	0.4
78.02010	0.3
78.13142	0.4
79.05471	39.7
79.05901	1.3
81.03391	5.4
81.07034	46.4
83.04955	4.3
83.08598	10.8
85.02889	4.9
85.06484	0.7
85.10152	0.4
91.03879	2.4
91.05452	17.4
92.09019	1.8
93.07018	52.9
95.04940	8.0
95.08579	52.8
97.02870	4.8
97.06493	5.5
97.10133	2.6
99.04442	4.1
99.07964	0.5
103.05395	0.6
105.04455	0.5
105.07008	14.0
107.04941	8.1
107.08571	37.2
109.06484	3.2
109.10136	13.1
111.04375	0.8
111.08027	2.1
113.05961	0.6
117.06998	10.9
119.08556	16.1
121.06466	5.3
121.10112	23.2
123.07975	1.5
123.11688	3.6
125.05904	2.1
125.09560	0.6
127.03819	0.6
127.07448	0.5
130.07715	1.8
131.08517	5.5
133.10094	8.0
135.07957	2.4
135.11662	48.6
137.13179	1.5
139.07492	0.8
139.11108	0.4
143.08470	1.5
145.04886	0.5
145.10101	29.3
147.11633	3.5
149.09615	0.5
149.13217	3.3
157.10092	0.5
159.11652	2.8
161.13208	2.9
163.11143	52.7
163.14784	1.5
173.09552	0.5
173.13120	2.9
175.14728	0.6
181.12198	9.9
187.14752	0.9
207.88763	0.4
209.11636	0.8
227.12732	48.5
243.20990	1.8
261.22070	5.4
267.15750	1.8
268.16245	0.6
283.15326	43.2
313.27444	0.6
314.27832	0.5
317.24838	1.6
335.25720	87.8
336.26025	0.6
399.19547	0.4
505.38736	0.8
506.39615	0.5
507.39633	0.6
543.36688	100.0
544.37073	0.9
561.37897	1.7
902.48785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	32.7
69.03420	2.5
69.07066	14.1
69.26395	1.7
71.05007	3.3
71.08614	33.5
73.02884	4.5
74.70672	1.7
77.09821	1.9
79.05474	23.4
81.03412	14.1
81.07033	35.7
83.01311	3.1
83.04971	23.1
83.08614	19.2
85.02882	26.0
85.10165	18.2
91.03944	11.7
91.05452	15.1
92.08942	11.9
93.07031	34.4
93.28742	1.9
95.04961	3.7
95.08588	35.5
97.02841	15.3
97.06487	9.3
97.10145	8.7
99.04426	7.5
99.08049	2.3
105.07032	8.3
107.04945	12.1
107.08585	20.6
109.06493	3.6
109.10134	20.0
111.04423	40.6
111.08075	13.1
117.06989	3.5
118.53770	1.8
119.08582	12.4
121.06464	2.7
121.10124	15.2
123.08028	4.6
125.05967	2.6
127.03904	8.7
129.06952	2.4
131.08571	4.0
135.11681	27.1
137.09541	2.5
138.68896	1.9
143.08691	1.9
145.10132	25.5
147.08075	3.0
147.11658	2.7
149.09619	3.1
153.12735	25.9
155.08582	2.8
163.11156	45.5
173.09554	14.8
178.30820	1.8
181.12158	26.8
191.10672	19.1
209.11685	33.0
227.12720	23.3
244.59538	2.5
255.15981	2.4
257.24631	2.2
265.14359	3.8
282.62857	2.0
283.15341	100.0
301.16409	47.6
313.27316	80.8
372.07358	2.3
521.38300	63.6
531.67456	2.2
539.39282	97.6
559.05786	2.1
612.87042	2.3
816.82367	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	898.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33836	0.8
65.03931	3.4
65.28711	0.8
66.86342	0.7
67.05474	1.4
67.16344	0.7
68.99783	0.8
69.03402	7.0
79.05457	8.3
81.03393	12.1
81.07041	1.0
82.04165	1.3
85.02892	12.1
91.05443	5.7
93.03372	1.6
95.01326	1.4
95.04951	9.2
97.02873	7.0
103.03934	3.9
103.05449	21.3
105.03374	81.9
105.06995	9.8
107.04947	9.5
109.02881	7.0
110.03660	1.1
111.04400	1.1
115.05431	10.9
117.07011	7.6
118.04153	5.7
119.04943	4.5
121.06464	3.1
123.04388	10.1
124.05241	3.1
125.05962	4.7
127.03902	1.8
129.06966	3.0
131.04907	26.9
131.08514	1.3
132.05713	1.0
133.02853	5.0
133.06474	10.8
134.03636	1.1
135.04420	1.7
137.05946	11.4
141.06973	4.1
142.02583	1.2
143.04930	2.8
144.05760	3.2
145.06458	16.3
146.03569	1.2
147.04437	5.6
147.08044	3.7
148.05170	15.5
148.06274	1.2
149.05939	4.1
151.03906	4.6
151.07524	3.3
152.04692	1.5
153.05463	5.1
155.05984	1.2
157.06491	1.6
159.04416	0.8
159.07999	1.9
160.05186	4.3
161.05952	15.3
162.06673	1.0
163.07510	34.3
165.05414	3.6
167.05875	1.0
167.07004	86.7
169.06442	5.3
171.06548	5.9
173.05945	16.9
175.07568	5.9
176.04677	4.9
177.05417	5.5
179.07031	4.7
181.04921	90.9
185.05855	1.0
187.07544	5.1
189.05428	1.9
189.09088	0.9
190.06235	6.7
191.06999	100.0
192.07605	1.3
193.04947	1.2
193.08588	3.4
195.06424	1.6
195.08034	1.3
197.05974	4.4
201.05469	1.8
201.09154	1.1
203.06927	8.8
205.08562	14.1
207.06505	1.7
207.10196	1.1
209.07973	1.1
211.07329	2.4
213.05383	1.3
215.06982	1.6
217.08505	6.1
219.08240	1.3
219.10034	6.1
223.14313	0.9
225.05611	1.1
229.08508	7.7
231.06319	0.8
233.08066	11.8
235.07458	3.4
235.09644	8.0
236.08223	0.9
245.08047	1.2
249.07561	5.7
252.07845	1.1
257.08032	14.4
263.06567	1.3
263.09106	22.8
265.10809	3.3
267.10120	4.3
275.09113	1.4
281.07983	1.2
295.09695	1.6
297.11209	1.7
307.09586	1.1
309.07611	1.6
309.11087	1.1
323.09320	1.1
324.09790	1.1
325.10593	3.7
357.13150	6.8
367.11569	2.0
379.11444	1.4
385.12589	11.1
387.14456	1.8
389.15759	1.1
397.12610	6.2
399.14279	5.2
417.15375	38.1
547.19128	0.9
922.97729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	4.0
67.05488	3.2
68.99782	0.4
69.03408	4.5
69.07051	0.5
71.01322	0.4
71.04971	0.8
73.02896	0.5
75.04443	0.6
77.03907	0.7
78.04680	0.8
79.05476	7.5
81.03397	13.4
81.07027	2.0
82.04169	0.8
83.04967	0.5
85.02887	9.5
91.05462	6.2
92.08896	0.8
93.03401	0.9
93.07025	0.8
95.01301	1.5
95.04945	10.1
95.08574	0.6
97.02860	5.8
97.06494	1.7
99.04440	1.9
103.03947	3.6
103.04737	0.7
103.05443	21.6
105.03371	68.1
105.04523	2.0
105.07009	10.7
106.04178	0.9
107.04936	10.8
109.02860	6.5
109.06496	1.5
109.10106	0.5
110.03636	2.4
111.04409	3.2
115.05428	8.0
116.06201	0.7
117.06992	7.4
118.04145	5.5
119.04926	6.2
119.08543	2.0
120.05662	0.7
121.06480	2.3
121.10136	0.5
122.03623	1.6
123.04393	9.2
124.05209	3.1
125.05956	5.2
127.03910	2.0
128.06230	1.4
129.06975	2.9
130.04150	1.8
131.04898	30.4
131.08546	1.8
132.05672	2.3
133.02823	3.8
133.06467	12.5
133.10155	0.5
134.03601	0.8
135.04356	0.6
135.08020	2.7
135.11703	0.4
137.05954	12.4
138.03098	1.6
139.03882	0.4
139.07497	0.7
140.04683	0.6
141.06992	3.2
142.02582	2.2
142.07747	0.4
143.04948	2.6
143.05965	0.6
143.08493	0.4
144.05696	3.3
145.06461	13.5
146.03583	0.7
146.07269	0.6
147.04388	5.9
147.08011	3.6
148.05170	15.4
149.05984	5.3
149.09541	0.4
151.03889	5.0
151.07492	3.1
152.04668	2.4
153.05472	4.5
155.04878	0.8
155.06003	2.0
155.07076	0.6
156.05682	1.7
157.06461	2.0
158.07285	0.4
159.04385	1.7
159.08000	3.4
160.05151	2.7
161.05937	16.1
162.06651	0.5
163.07504	33.9
165.05472	3.5
165.06772	0.5
165.08968	0.4
166.02577	0.6
167.06998	86.5
168.07318	0.5
168.71199	0.4
169.06432	4.0
171.04370	0.8
171.06485	8.1
172.05211	0.7
173.05937	14.9
174.06683	1.5
175.07526	7.3
176.04605	3.6
177.05429	3.5
177.09102	1.6
178.06332	1.0
179.06979	4.6
179.08362	0.5
179.10512	0.4
181.04919	98.2
182.05418	0.4
183.06470	0.5
184.05257	0.3
185.05916	0.6
186.06737	1.4
187.07507	6.4
188.04659	0.8
189.05406	2.2
189.09067	0.8
190.06181	5.4
191.06993	100.0
192.07568	0.8
193.04866	0.6
193.08574	3.6
193.12192	0.4
195.06516	4.8
196.05211	0.4
197.05930	3.7
201.05426	3.3
201.07069	0.4
201.09065	2.2
202.06200	1.3
203.06987	9.1
205.06715	0.5
205.08540	11.4
207.06447	3.3
207.08086	1.4
207.09869	2.8
209.07982	2.1
211.07515	1.3
213.05365	0.6
214.06267	0.5
215.06926	1.9
217.08536	7.4
219.06335	0.5
219.08174	1.0
219.10127	5.7
221.05913	0.5
221.07973	0.8
222.06685	0.4
224.08330	0.4
225.05415	1.3
225.07321	1.0
229.08551	6.2
231.06464	1.5
232.07173	0.6
233.08026	10.8
234.06714	0.8
235.07397	1.8
235.09599	7.3
236.08340	0.9
237.05284	0.5
237.09097	1.4
239.06929	0.5
241.08514	0.6
245.08005	1.7
246.06625	0.5
247.07478	1.6
249.07413	6.1
250.06302	0.5
251.06877	0.7
252.07732	0.8
253.08434	0.7
255.06535	0.4
257.08041	8.2
259.09540	0.5
263.09097	24.7
264.07648	0.8
265.08554	1.0
265.10751	3.1
267.10059	2.6
269.07999	1.6
269.11304	0.4
271.09482	0.6
275.09055	1.8
279.06580	0.6
279.09967	0.8
281.07959	1.8
283.09741	0.5
291.09991	0.5
293.07788	0.6
295.09494	1.6
296.10233	0.6
297.11154	2.1
307.09521	0.6
308.10242	0.4
313.10410	0.6
315.08691	0.8
323.09164	0.7
325.10632	3.7
327.12128	1.4
329.10092	0.6
329.13702	0.6
331.11542	0.8
337.10632	0.6
339.12216	1.6
342.43884	0.4
344.12451	0.4
351.12079	0.4
353.10052	0.6
355.11823	0.7
357.13269	6.9
359.14728	1.4
367.11633	1.9
369.13138	2.0
371.14639	2.2
379.11594	0.9
381.12930	0.6
383.14764	0.7
385.12753	11.5
387.14130	3.2
397.12708	4.3
399.14200	4.8
401.15652	1.4
413.15744	0.5
415.13492	0.8
417.15347	46.4
418.15430	0.5
547.18750	0.5
564.99420	0.4
579.21606	0.5
683.23010	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
62.65654	0.4
65.03923	4.4
67.05486	2.7
69.03403	2.9
69.07035	0.6
70.94382	0.4
76.55663	0.4
79.05471	3.9
81.03412	6.0
81.07029	1.9
82.04174	0.9
85.02888	5.9
85.91510	0.4
91.05471	5.4
92.08662	0.8
92.09254	1.4
93.03371	0.7
93.07016	0.8
95.04958	3.7
95.08599	0.7
97.02873	2.3
97.06500	2.0
99.77606	0.4
103.05421	0.6
105.03374	17.3
105.07006	2.6
107.04967	5.1
107.08551	0.8
109.02900	3.2
109.10108	0.7
110.03670	3.6
111.04420	2.4
115.05452	2.4
117.07000	2.6
119.04905	3.8
119.08585	0.7
121.06481	0.5
123.04401	3.0
124.05172	0.9
125.06035	3.4
127.03879	2.3
129.06960	0.7
131.04918	2.4
131.08508	0.6
133.02838	1.8
133.06474	2.2
135.04411	0.6
137.05948	4.2
138.03073	1.1
139.03871	2.0
142.02567	1.8
145.06451	4.8
147.04370	9.5
147.07991	1.0
149.05974	0.6
151.03853	0.6
151.07568	0.7
153.05441	2.5
155.05989	0.9
159.08049	0.8
161.05959	4.3
163.07532	0.6
165.05527	1.7
165.09111	0.5
166.02592	0.6
167.07014	16.9
171.06522	7.5
172.05119	2.3
173.05901	3.1
174.06805	0.6
175.03894	0.6
175.07495	2.1
175.11125	0.5
177.05409	1.0
179.07018	0.9
181.04924	100.0
189.05411	1.9
191.06978	2.5
193.08444	0.6
193.12242	0.5
195.06488	0.9
200.04637	0.8
201.05394	0.9
203.07080	1.6
205.08588	2.5
207.06496	2.5
217.08499	1.0
218.05695	2.0
219.06363	0.8
219.10042	0.6
221.07901	3.2
223.07492	0.6
231.06421	0.7
233.08003	9.3
235.07532	0.7
235.09612	3.9
249.07607	2.2
261.07562	2.1
263.09265	0.5
265.08505	0.6
271.39090	0.5
276.07700	0.5
278.05933	0.5
279.08664	2.6
287.05365	0.6
293.07788	0.8
295.09543	0.6
309.07462	0.7
323.09109	0.6
337.10626	0.5
353.10049	2.6
373.12589	0.7
380.64294	0.5
385.12665	3.4
387.14423	0.6
397.12619	0.6
401.12253	4.1
403.13858	3.8
415.13794	31.9
416.14374	0.9
417.15198	3.5
433.14786	4.5
565.20410	2.9
622.36664	0.6
649.08594	0.5
788.12115	0.5
879.30243	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	19.6
68.26637	1.5
69.03404	3.1
69.07048	11.7
71.04955	2.3
71.08614	20.8
71.54433	1.7
73.02892	6.4
79.05479	20.0
81.03397	43.8
81.07034	26.2
83.04966	12.6
83.08604	20.4
85.02882	31.3
85.10176	12.3
91.03935	9.1
91.05455	24.4
93.07033	11.7
95.04933	21.7
95.08578	18.4
97.02868	8.0
97.06497	3.0
97.10130	7.6
99.04431	1.7
105.07017	18.3
107.04914	3.3
107.08588	6.0
109.06504	3.2
109.10125	8.1
111.08041	6.5
112.54754	1.4
119.08567	13.8
121.10103	7.5
123.11693	1.4
129.06947	7.8
131.08524	8.4
133.10109	9.2
135.11673	1.3
147.11630	13.6
149.09608	2.5
150.96497	1.5
157.10069	13.1
175.11166	10.0
193.12192	28.4
211.13246	36.8
211.15051	2.3
250.73846	1.7
267.15939	11.9
285.16904	48.6
327.28851	63.6
519.40143	13.1
537.41364	100.0
538.41058	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	896.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56401	0.4
67.05147	0.6
67.05490	14.8
69.03410	3.5
69.07055	7.8
70.78718	0.4
71.01317	1.1
71.04964	1.1
71.08613	23.1
73.02910	5.2
79.05486	5.5
81.03384	3.9
81.07034	23.2
83.04963	2.4
83.08598	19.4
85.02883	13.6
85.06531	1.9
85.09713	0.8
85.10168	12.9
87.04446	0.5
89.05999	1.1
91.03945	7.8
91.05461	16.1
93.07030	11.8
95.04960	3.8
95.08009	0.8
95.08585	19.1
97.02866	12.1
97.06500	3.2
97.10133	5.2
99.00787	18.5
99.04418	2.3
99.08070	0.7
103.05460	0.6
103.07577	0.6
105.07011	14.3
107.04971	5.4
107.08582	6.4
109.02862	10.4
109.06493	3.7
109.10135	12.1
111.04414	0.7
111.08041	3.1
115.03942	3.8
115.04620	0.5
117.07004	3.2
119.08549	9.2
121.02923	0.5
121.06469	8.0
123.04417	2.2
123.08028	0.7
123.11701	6.3
127.03875	4.9
128.06236	1.2
129.06937	0.7
131.08566	1.1
133.06474	1.2
133.10106	34.1
135.08011	2.1
135.11665	0.5
137.05913	2.0
137.09598	0.6
137.13252	0.6
139.07501	3.4
143.08490	5.7
145.04918	2.0
145.06456	0.7
145.10028	0.6
147.08038	1.8
151.11143	13.4
161.08220	0.7
161.09579	21.1
163.05960	2.5
163.11124	0.8
165.09073	0.6
171.07971	5.1
179.10626	12.8
189.09070	9.8
190.43364	0.5
197.11696	3.3
207.10129	4.3
221.01601	0.4
225.11224	11.4
239.23604	2.0
243.12268	2.1
257.24734	2.7
281.13763	5.5
299.14828	100.0
300.15097	0.7
311.26215	0.6
313.27301	92.4
314.27731	0.6
427.83432	0.6
501.35727	0.7
537.37744	61.4
538.37878	0.8
595.64978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40035	0.2
67.02096	0.3
69.03416	21.6
71.01316	0.4
71.04984	2.1
73.02897	3.9
79.05486	2.9
81.03400	8.1
83.01304	0.4
83.04974	0.4
85.02891	100.0
87.04445	2.5
91.03937	6.2
91.05462	54.5
92.08712	0.3
92.09186	0.5
95.04940	1.7
97.02870	41.0
99.04436	5.1
101.02348	0.5
103.03909	0.5
105.03375	55.9
105.06969	0.3
106.03737	0.4
109.02863	10.4
109.03609	0.5
115.03912	2.4
117.06963	0.5
123.04404	6.5
127.03896	28.6
129.07021	0.4
131.08519	0.3
137.05995	0.3
144.06512	1.2
145.04942	35.7
147.04390	1.1
149.05981	0.3
157.06427	0.4
161.04408	1.4
162.07544	0.9
163.05981	12.5
171.07961	0.8
175.07549	0.4
217.08521	1.5
219.95476	0.2
231.06369	0.5
235.09613	1.7
249.07530	2.5
253.10674	5.0
267.08578	19.9
271.07864	0.3
271.11691	2.6
280.58829	0.3
285.09595	6.2
289.09088	1.6
324.12750	0.4
325.11237	12.2
329.26807	0.2
429.13812	2.5
450.19571	2.9
464.17227	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	17.7
69.03420	2.9
69.07053	9.7
71.04965	3.5
71.08611	23.7
73.02898	7.9
79.05482	17.7
80.23818	1.6
81.03399	11.9
81.07040	24.7
83.01321	8.2
83.04962	13.1
83.08613	19.6
85.02897	23.3
85.10173	12.7
91.03931	11.3
91.05454	8.3
93.07024	21.7
95.04935	3.0
95.08592	22.2
97.02853	13.3
97.06474	2.9
97.10153	7.5
99.04410	6.2
105.07015	9.1
107.04954	6.5
107.08546	11.8
107.30148	1.5
109.06466	3.5
109.10149	10.9
111.04385	2.2
117.05462	7.0
117.06994	7.0
119.08540	10.6
120.48785	1.5
121.06499	2.7
121.10142	8.2
123.08044	7.4
123.11697	2.2
127.03878	3.3
133.10043	1.8
135.11678	12.9
145.04997	2.1
145.10110	12.8
153.12729	1.7
159.06345	2.0
163.11179	20.8
189.37708	1.7
209.11717	7.3
227.12804	2.8
241.72522	1.6
265.57239	1.8
271.26300	1.8
283.15347	100.0
327.28876	80.7
410.61237	1.7
535.39832	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	890.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	0.7
67.05492	52.9
69.03412	4.6
69.07053	15.3
71.04980	5.0
73.02888	2.7
79.05473	28.4
81.03398	5.2
81.07037	55.6
83.04969	6.2
83.08596	6.4
85.02892	10.1
85.06509	6.4
85.34488	0.8
91.03937	5.2
91.05463	32.2
92.08881	2.7
93.07023	31.1
95.04928	7.1
95.08585	21.3
97.02853	4.7
97.06493	3.2
97.10143	0.9
99.04432	1.4
99.08072	1.1
101.05952	0.9
105.07014	30.5
107.04958	1.1
107.07858	1.5
107.08573	34.2
109.06506	5.2
109.10141	61.8
110.10415	1.0
113.06014	1.6
115.07482	0.8
117.06975	4.3
119.08549	9.0
121.10114	10.7
123.11691	12.1
125.09612	0.9
127.03899	0.9
127.07541	2.6
131.08548	8.0
133.10101	67.6
135.11644	6.9
143.08540	1.1
145.04993	1.0
145.10123	3.8
147.11652	3.0
149.13216	3.7
151.11154	30.7
159.11649	2.6
161.09550	2.8
161.13246	1.5
163.06033	0.6
165.58652	0.7
169.12216	5.6
173.13222	1.6
179.10605	1.2
187.14746	0.7
225.19765	0.7
243.21051	1.4
253.14287	100.0
261.22055	10.5
271.15329	23.6
279.23044	0.8
317.24542	0.9
335.25729	38.3
335.29803	1.3
457.32892	0.8
513.35736	9.1
526.38879	0.8
531.36700	63.2
532.36945	1.1
549.37604	1.6
874.89606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03907	1.4
67.05490	47.0
69.03420	5.5
69.06715	0.8
69.07058	13.6
71.04975	5.1
73.02883	3.5
79.05471	26.9
81.03397	5.2
81.07036	53.3
83.04966	7.9
83.08600	5.7
85.02882	10.0
85.06527	6.8
90.35783	0.7
91.03915	5.9
91.05458	36.2
91.24810	0.8
93.07023	31.9
95.04920	5.9
95.08583	20.4
97.02863	4.1
97.06502	3.1
97.23306	0.8
99.04439	1.7
105.04511	0.7
105.07007	35.7
107.07865	1.4
107.08578	34.6
109.06490	5.3
109.10139	55.6
111.08062	0.7
113.05976	1.4
113.09475	0.8
115.07494	0.8
117.06954	3.9
119.08545	7.4
121.10114	11.2
123.11670	12.9
125.09759	0.8
127.03897	1.3
127.07569	3.3
131.08536	7.6
133.10103	69.0
134.10469	0.9
135.08002	1.4
135.11673	5.4
137.09660	0.8
143.08557	1.6
145.10112	5.0
147.11621	1.6
149.13226	4.2
151.11157	29.9
159.11615	1.8
161.09613	3.1
161.13242	1.8
163.14780	1.2
169.12192	4.8
173.13210	1.3
179.10657	1.1
187.14761	0.9
215.12817	1.7
243.21008	1.4
253.14290	100.0
254.14581	1.0
261.22067	11.7
271.15326	30.8
279.22910	1.0
293.13803	0.7
315.61072	0.8
335.25711	28.2
343.23547	0.9
355.21994	0.8
457.33005	1.1
513.35724	13.9
531.36676	52.0
532.37689	0.9
549.37366	3.5
690.96545	1.0
705.52545	0.8
770.37402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27298	0.8
67.05491	71.3
69.03407	5.0
69.07047	20.3
71.04965	4.4
71.08598	1.9
73.02895	5.6
79.05467	50.5
81.03354	1.8
81.07036	91.0
83.04971	6.6
83.08602	16.1
83.53612	1.0
85.02882	16.2
85.06520	4.0
91.03950	8.7
91.05458	26.7
92.08919	3.7
93.07017	73.3
95.04941	7.8
95.08583	38.6
97.02862	9.5
97.06503	9.4
97.10145	1.0
99.04403	1.3
99.08100	2.0
101.02396	1.0
105.07017	14.2
105.45505	1.0
107.08581	38.2
109.06504	3.6
109.10126	11.7
111.08047	7.4
117.06977	8.9
119.08572	8.1
121.10117	27.2
123.11690	5.7
127.03928	1.1
129.06952	1.1
131.08514	15.1
133.10098	9.5
135.11674	14.8
145.04935	1.6
145.10063	4.9
147.11662	6.2
149.13237	28.1
159.11650	15.9
161.13258	3.8
163.14871	1.7
173.13284	1.1
177.12717	5.8
187.14755	1.2
195.13890	7.6
198.44177	0.9
243.21135	2.3
261.22180	8.5
267.15839	1.7
269.17410	87.5
335.25693	48.4
336.26315	1.3
360.99368	1.0
437.34372	1.2
455.35187	1.4
467.21628	1.0
511.37842	1.5
529.38776	100.0
530.39014	1.3
547.39496	3.5
636.50653	1.3
738.75372	1.0
787.33569	1.0
839.74084	1.1
887.48792	9.5
888.49591	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	888.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	3.1
67.05492	69.9
69.03400	3.5
69.07052	25.1
71.04962	4.0
73.02896	6.4
74.74041	0.7
76.88760	0.8
79.05474	43.8
81.03404	3.3
81.07035	88.3
83.04984	7.1
83.08599	14.0
85.02884	11.8
85.06521	4.1
91.03935	8.0
91.05462	22.9
92.08795	0.9
93.07020	75.8
95.04935	5.2
95.08585	36.4
97.02867	7.1
97.06508	9.8
97.10133	1.9
99.08095	1.8
105.06999	14.8
107.08576	39.8
109.06506	1.8
109.10141	12.1
111.08083	6.1
114.47146	0.7
117.06986	7.4
119.08588	10.0
121.06484	0.9
121.10123	28.5
123.11694	4.5
127.03846	1.7
131.08559	13.7
133.10106	11.7
135.11690	11.1
137.13239	0.8
139.11073	1.5
145.04909	1.2
145.10074	6.2
147.11696	5.3
147.31352	0.8
149.09636	0.8
149.13235	28.1
159.11674	14.4
161.13202	1.5
163.14867	1.2
173.13223	1.4
177.12717	4.8
195.13757	6.6
208.39407	0.7
243.20963	1.8
261.22137	7.6
267.15750	1.4
269.17422	74.9
270.17728	0.8
310.17151	0.9
317.24744	1.8
317.44281	0.8
324.13348	0.7
335.25720	41.6
363.37677	1.0
377.26877	1.0
437.33914	1.0
455.34955	1.2
511.37592	1.0
529.38757	100.0
530.38763	1.7
536.47125	0.9
547.39587	3.9
887.48236	1.4
888.49994	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	888.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78480	0.2
65.03908	1.4
66.04707	0.4
67.05491	3.0
67.43529	0.3
69.03398	1.5
69.07043	0.5
71.01318	0.3
71.04967	0.5
73.02896	0.4
78.04683	1.1
78.90335	0.2
79.05472	4.6
81.03395	6.2
81.07037	2.6
82.04150	0.5
83.04961	0.7
83.08585	1.1
84.49187	0.2
85.02883	2.8
88.20370	0.3
91.03941	0.5
91.05451	7.0
92.08763	1.5
92.09389	0.6
93.03373	1.3
93.07014	1.7
95.04949	7.7
95.08571	1.6
97.02887	0.6
97.06509	1.2
99.04390	0.3
103.05433	4.8
105.03362	2.1
105.04469	0.3
105.07000	7.9
106.04165	3.1
107.04946	7.1
107.08570	1.2
109.02831	0.4
109.06493	1.1
109.10141	1.4
110.03634	0.7
111.04417	1.2
111.08040	0.3
112.16885	0.2
113.05956	0.3
115.05421	4.8
117.03349	0.3
117.06990	6.9
118.04121	1.4
119.04912	2.6
119.08557	1.3
120.05678	0.3
121.02815	0.7
121.06484	4.2
121.10142	0.4
122.03624	0.4
123.04404	8.6
123.08013	0.4
124.05211	2.2
125.06001	2.2
125.09608	0.6
129.06967	0.7
130.04073	0.4
131.04901	4.1
131.08522	1.5
132.05641	0.4
133.02768	1.0
133.06458	7.4
133.10094	1.1
133.29866	0.3
134.03584	1.7
135.04359	2.2
135.08038	0.6
136.05147	1.1
137.05939	3.4
139.07483	0.6
140.04651	1.5
142.02617	0.5
143.04895	0.4
144.05701	1.3
145.02808	0.4
145.06467	11.6
147.04398	2.4
147.07990	1.1
147.11713	0.5
148.05199	2.1
149.05962	6.0
151.03854	1.3
151.07524	6.4
152.04634	1.9
153.05431	1.9
153.09064	1.4
155.04893	0.4
155.05980	1.3
155.07005	1.4
156.05658	0.3
157.06450	1.2
158.07269	0.4
159.08041	1.3
159.11632	0.3
160.05161	1.7
161.05940	11.4
161.63321	0.3
162.06639	0.3
163.03865	3.5
163.07487	3.2
165.05424	2.9
165.09108	0.3
166.06194	0.5
167.06996	100.0
168.07321	1.4
171.04454	0.3
171.06482	1.9
173.05937	18.8
174.06595	0.6
175.03874	0.3
175.07506	3.8
176.04668	0.6
176.08275	0.3
177.05461	4.1
177.09070	0.7
179.07016	2.3
180.07826	0.5
181.04918	28.5
181.08412	2.0
182.05363	0.4
183.06487	0.6
187.07495	1.7
188.04433	0.3
188.08290	1.1
189.05507	0.7
189.09077	1.3
189.97685	0.3
190.06186	3.4
191.07010	7.9
191.10628	0.4
193.08583	8.6
193.12212	0.4
195.06479	1.1
197.07758	0.4
198.06709	0.5
199.07443	0.4
201.05443	1.1
202.06293	0.4
203.06975	4.3
205.06709	0.4
205.08539	6.9
207.06439	2.7
209.08034	5.3
209.11726	0.3
217.08578	2.8
219.08180	0.5
221.07898	0.5
231.06540	0.5
233.07970	3.7
235.07698	0.4
235.09625	3.9
241.08530	0.5
247.09570	1.8
249.09055	0.4
253.08595	0.4
259.09518	0.4
259.16595	0.3
263.09174	1.2
267.15811	1.1
269.08023	0.4
277.08276	0.3
279.10095	0.5
286.08115	0.3
291.06622	0.5
291.09998	0.4
295.09604	0.4
299.09085	0.4
307.43713	0.4
309.10754	0.3
323.09097	0.3
325.10913	0.3
329.10007	0.5
339.12076	0.3
357.13232	0.6
359.11206	1.5
359.44077	0.3
369.13196	0.6
385.12711	1.3
387.14270	10.7
388.14575	0.4
415.13589	0.3
416.14493	4.6
417.15347	43.1
418.15686	1.7
459.27533	0.3
460.27588	0.7
461.28040	0.4
468.65808	0.3
478.28406	0.5
511.28622	0.6
595.21613	27.7
596.22083	1.2
607.21350	0.4
643.23352	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	1.7
69.03423	4.7
69.07082	0.9
71.08626	1.1
73.02907	4.1
73.83105	0.8
75.19109	0.9
75.80052	0.9
81.03384	1.9
81.07050	7.1
83.08620	1.1
85.02888	6.3
86.83459	0.8
91.03975	2.1
95.08586	1.8
97.02295	1.1
97.02854	7.6
99.04442	1.0
101.02335	1.2
109.10088	1.0
119.08587	1.1
147.11711	1.3
160.11183	1.4
165.12758	0.9
336.04251	1.0
347.09546	3.5
352.00540	0.8
360.82986	0.9
365.10809	1.5
390.78745	1.0
405.13651	5.3
445.01523	0.9
455.23303	1.1
469.20459	13.3
497.30841	3.5
631.26038	5.7
659.35608	6.0
725.43658	2.8
887.49567	100.0
888.49933	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19281	0.2
65.03933	2.5
65.04211	0.4
66.04691	0.3
67.05492	2.5
68.99744	0.3
69.03405	1.6
69.07043	0.5
70.06552	0.4
71.04979	0.4
75.04425	0.4
78.04688	1.1
79.05473	4.9
81.03403	6.3
81.07047	3.2
83.04973	0.7
83.08602	0.3
85.02881	2.6
89.03883	0.6
91.05456	10.8
92.08734	1.6
92.09357	0.7
93.03378	1.7
93.07027	2.8
94.04158	0.4
94.14855	0.3
95.04941	8.0
95.08582	0.7
97.02843	0.7
97.06496	1.5
99.04411	0.4
100.11178	0.3
103.05450	5.6
104.68625	0.3
105.03372	2.6
105.06999	4.4
106.04153	4.5
107.04941	12.1
107.08546	1.3
109.02847	0.3
109.06504	1.6
109.10155	0.6
110.03654	1.5
111.04433	3.0
111.08064	0.5
115.05442	6.0
117.03352	0.5
117.07003	7.1
118.04132	1.4
119.04920	3.3
119.08535	1.8
120.05662	0.6
121.06474	6.2
121.10138	0.6
122.03580	0.5
123.04397	6.8
123.08067	0.7
124.05196	2.9
125.05938	3.2
127.03825	0.4
128.06177	0.3
129.06940	0.7
130.04172	1.0
131.04912	5.3
131.08511	1.5
132.05692	1.5
133.02812	1.7
133.06467	4.0
133.10106	0.6
134.03601	1.8
135.04396	4.4
135.08018	0.5
136.05135	2.5
137.02411	0.4
137.05956	5.4
138.03180	0.3
139.03853	0.3
139.07518	0.6
140.04668	0.7
141.06958	0.5
141.92838	0.3
142.02669	0.5
143.04921	1.1
144.05681	1.7
145.02841	0.4
145.06467	13.7
145.10066	0.3
147.04372	4.5
147.08012	1.6
147.11703	0.9
148.05219	3.3
149.02295	0.3
149.05957	6.4
149.09525	0.4
150.03069	0.4
151.03963	2.1
151.07521	8.6
152.04642	2.1
153.05418	2.9
153.09033	1.2
154.06226	0.5
155.05943	2.6
155.07019	1.1
156.05704	0.6
157.06395	1.6
159.07979	2.2
160.05124	2.3
161.05951	5.2
161.09586	0.3
163.03877	5.4
163.07483	2.6
164.04547	0.5
165.05450	5.9
165.06749	0.6
165.09103	0.5
166.06239	1.4
167.06996	100.0
168.07426	0.4
171.04330	0.4
171.06575	2.3
171.07826	0.4
173.04459	0.7
173.05942	18.3
174.06718	0.7
175.07527	6.3
176.04677	1.0
177.05447	4.4
177.09061	1.5
179.06972	3.3
180.07755	1.3
181.04916	36.4
181.08545	1.7
182.05208	0.5
182.07288	0.4
183.06438	0.7
187.07535	2.6
188.04602	0.4
188.08244	1.9
188.09843	0.4
189.05420	1.1
189.09029	1.7
190.06236	3.8
191.06990	8.9
191.08641	0.5
191.10646	0.6
192.07794	0.3
193.04948	0.6
193.08580	2.0
193.12201	0.7
195.06461	0.7
198.06735	0.5
201.05428	1.5
201.09137	0.7
202.06168	0.4
203.06969	6.7
203.08698	0.5
204.07651	0.5
205.08543	7.5
205.10295	0.5
207.06517	2.5
207.08182	0.3
208.07045	0.4
209.08067	4.9
214.06136	0.4
215.06990	0.6
216.07825	0.5
217.08598	3.8
219.06435	0.4
219.10136	0.7
220.07265	1.9
222.35599	0.3
225.07495	1.1
227.07112	0.3
229.08514	0.7
231.06218	0.4
233.07990	4.3
233.09709	0.3
235.07529	0.5
235.09615	4.0
237.09077	0.4
239.07169	0.4
241.08376	0.6
247.07368	0.5
247.09595	2.6
253.08473	0.5
257.07950	0.4
259.09634	1.1
263.06857	0.4
265.08469	0.6
266.09213	0.3
267.10007	0.4
267.15884	0.7
268.16205	0.3
269.08002	0.5
271.09619	0.6
277.08405	0.6
279.10153	0.5
281.07990	0.5
285.11191	0.5
285.16901	0.4
291.06683	0.4
291.10083	1.2
292.11005	0.5
293.07965	0.5
295.09619	0.3
299.09149	0.7
307.12103	0.8
325.10797	0.4
337.10654	0.7
355.11670	0.5
357.13104	0.8
359.11118	1.9
367.11719	0.6
369.13089	1.5
385.12762	3.8
387.14325	9.7
415.13858	1.7
416.14575	15.7
417.15347	31.1
418.15805	0.5
460.27661	0.5
565.20508	1.2
595.21625	57.0
596.21368	1.6
599.68134	0.3
607.21448	0.5
625.22070	1.6
643.23566	1.4
694.54828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05530	1.2
69.03399	3.7
71.08623	1.5
73.02914	4.5
73.92416	0.9
74.63515	0.9
75.12196	1.0
75.54032	1.1
76.02907	1.0
79.05510	1.0
81.03432	1.7
81.07066	6.0
85.02911	6.0
85.98628	1.1
91.03944	5.4
95.08600	2.3
97.02898	6.5
101.02383	1.3
101.45577	1.0
105.07037	1.3
109.10140	1.7
110.29884	1.1
119.08620	1.5
138.11931	1.2
143.26366	1.1
147.11736	5.4
185.04240	1.3
203.05257	2.1
347.09558	4.7
365.10654	1.5
405.13840	5.5
425.21698	1.6
447.26813	1.2
469.20328	13.8
497.31076	7.3
631.25629	7.2
659.35895	6.8
725.44586	1.8
887.49634	100.0
888.50336	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	887.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	2.8
69.03410	4.4
71.04940	0.5
71.08617	2.8
71.80344	0.4
73.02908	4.5
77.87730	0.5
79.05482	1.2
81.03397	4.6
81.07025	4.4
83.04969	0.9
83.08584	1.1
85.02888	9.9
85.10175	1.0
87.04466	0.5
90.68755	0.5
91.03951	3.3
91.05456	2.3
92.09093	0.6
93.07033	2.2
95.04948	0.6
95.08601	3.2
97.02863	8.6
99.04443	2.4
101.02359	3.0
105.07031	1.0
107.08563	0.6
109.02829	0.6
109.10165	2.0
119.08560	0.9
121.10164	0.7
127.03912	2.9
128.03654	0.5
129.07037	0.5
133.10205	0.5
185.61838	0.5
203.05171	0.8
238.42987	0.6
243.08485	2.9
313.27444	2.2
345.45215	0.5
347.09546	2.9
365.10593	1.0
405.13562	5.0
469.20612	5.4
497.30734	7.7
631.25226	3.9
659.36011	8.7
678.45618	0.8
725.44012	2.5
875.43530	0.6
887.49506	100.0
888.49921	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	3.6
69.03413	4.1
69.07073	1.3
71.01337	0.5
71.04982	0.6
71.08625	1.4
73.02901	5.1
79.05473	2.1
81.03394	4.1
81.07030	4.2
81.07399	0.2
83.04991	0.5
83.08602	2.0
85.02893	8.4
85.10178	0.6
91.03937	4.4
91.05472	2.3
92.08997	1.8
93.07026	2.4
95.04968	1.4
95.08587	2.5
97.02868	7.2
97.10159	0.4
99.04463	0.6
101.02364	2.8
103.23315	0.3
105.07041	1.7
107.08604	1.2
109.02892	1.2
109.06513	0.4
109.10184	1.5
111.08089	0.4
116.48513	0.3
119.08580	1.1
121.10131	0.5
127.03886	2.0
129.07025	0.3
131.08563	0.4
133.10144	0.5
145.04932	0.5
147.11688	0.4
157.10107	1.1
162.53857	0.3
175.11282	0.5
185.04259	1.0
193.12300	1.2
203.05374	0.4
211.13338	0.6
243.08270	2.0
285.17087	0.4
307.15494	0.3
313.27405	1.2
335.25851	0.4
347.09476	2.5
363.08829	0.4
365.10483	1.0
405.13617	5.7
438.88562	0.3
469.20380	8.9
497.30786	5.1
525.40192	0.5
526.40631	0.4
529.38660	1.9
631.25580	7.5
659.35999	5.0
725.44000	2.0
791.35181	0.4
854.78687	0.3
887.49536	100.0
888.49396	2.3
912.44482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.2
67.05141	3.1
67.05490	74.4
69.03410	8.4
69.07054	19.7
71.04970	2.1
71.08616	1.7
73.02895	9.8
73.50514	1.3
76.57082	1.3
79.05473	58.5
81.03395	100.0
81.07034	80.1
82.88735	1.4
83.04961	7.3
83.08590	22.7
85.02892	35.6
85.06515	2.1
91.03938	19.1
91.05454	38.3
92.08629	2.2
92.09203	6.3
93.07019	57.5
95.04944	37.0
95.08584	52.6
97.02857	21.9
97.06501	3.7
97.10140	8.1
98.15554	1.6
105.07022	31.9
107.04951	12.2
107.08573	37.2
109.06496	7.7
109.10139	23.9
111.08076	7.9
117.06971	13.4
119.08559	25.8
121.06473	3.7
121.10128	26.0
123.04388	2.3
123.08052	3.0
123.11668	7.7
123.47565	1.7
125.09579	2.3
127.03934	3.6
129.06985	12.7
131.08543	23.1
133.06476	3.0
133.10104	17.1
135.07951	1.5
135.11655	12.5
137.09538	2.8
142.07750	3.0
145.04924	6.3
145.10085	12.8
147.07999	3.1
147.11653	12.8
149.09581	6.5
149.13237	3.8
157.10109	11.9
159.11656	6.8
161.13293	3.2
163.05977	3.8
163.11151	1.6
163.14717	2.5
165.12666	2.2
171.11658	2.5
173.13239	3.6
175.11162	8.1
175.14723	1.8
187.14774	2.5
189.11145	1.7
193.12166	21.3
227.12634	1.9
235.13144	2.1
243.21008	5.6
261.22141	19.1
261.24667	2.1
267.15854	67.8
309.16876	2.7
335.25723	72.3
403.24603	1.8
435.32684	2.2
453.33484	6.8
467.37268	2.5
525.41187	2.3
527.37128	55.3
545.38220	52.3
569.38202	9.9
584.89545	1.8
623.38916	2.0
635.38684	2.9
671.40961	2.6
735.11499	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	0.7
67.05493	19.4
69.03415	4.0
69.07054	5.7
71.04990	3.4
73.02913	1.0
77.90136	0.4
79.05003	0.4
79.05473	20.6
81.03401	100.0
81.07037	22.9
83.04970	11.3
83.08604	21.4
85.02891	17.9
85.06534	2.2
91.03934	3.3
91.05460	27.4
92.09010	4.2
93.06577	0.4
93.07021	14.9
95.04947	30.2
95.08586	9.3
97.02876	5.7
97.06485	3.2
97.10156	5.9
99.04459	0.6
99.08106	1.4
105.03373	0.8
105.07017	21.9
107.04932	10.4
107.08579	8.7
109.06493	5.7
109.10137	5.5
111.04420	1.9
111.08061	9.6
113.06007	1.9
115.05448	1.6
116.06203	0.6
117.07002	4.1
119.04942	1.8
119.08558	18.0
121.06488	5.2
121.10126	10.1
123.04397	1.8
123.08028	3.2
123.11678	0.9
124.21030	0.4
125.06008	0.6
125.09600	4.6
129.06984	16.0
131.04926	0.8
131.08542	14.7
133.06474	4.6
133.10123	9.1
135.08032	2.3
135.11646	0.8
137.05937	1.7
137.09593	2.6
141.07002	0.8
142.07761	3.6
143.08530	2.2
144.05614	0.4
145.04971	0.7
145.06477	6.8
145.10146	3.3
147.04361	1.0
147.08015	6.0
147.11670	14.9
149.09607	8.1
153.09062	0.8
155.08540	1.7
157.06465	1.5
157.10101	15.2
159.08015	0.8
159.11630	0.9
161.05881	1.4
161.09615	0.8
163.11188	2.4
165.12743	3.0
167.07088	0.7
169.10103	0.8
171.08020	1.0
171.11691	1.5
173.09543	0.7
173.11676	0.6
175.11137	16.3
185.09608	0.6
185.13251	0.8
189.11130	1.9
189.12680	0.9
193.12212	42.9
195.11696	0.7
197.13248	0.9
199.11209	0.7
201.12897	0.5
201.90979	0.5
203.14351	0.5
205.08725	0.5
205.12224	0.8
207.11551	0.4
211.11311	0.9
211.13251	14.2
211.15265	0.6
213.12727	0.7
215.14334	0.6
217.12151	0.6
225.12650	0.6
227.12526	0.6
227.14433	1.0
229.14333	0.7
231.13753	0.8
233.15340	0.8
235.00655	0.4
235.13232	1.6
237.12700	1.0
249.14850	2.2
255.13774	2.7
257.15372	0.5
267.15860	91.0
268.16367	0.5
273.14725	7.2
285.16916	8.9
309.17010	0.6
339.23004	1.4
341.21133	2.9
349.21384	3.6
357.24228	0.9
367.22626	6.5
385.23627	8.3
403.24658	2.5
405.24118	0.5
433.20255	0.8
433.25766	15.0
441.26245	7.1
459.27341	77.0
460.27328	2.0
477.28387	51.2
478.28711	1.6
491.29724	0.6
501.28400	2.2
509.30905	0.5
519.29364	2.6
543.29797	0.5
567.29718	0.6
573.30920	0.7
585.29865	2.3
603.31061	1.9
621.32153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05184	0.3
67.05489	2.0
69.03412	4.7
69.07066	0.4
69.50150	0.3
71.01342	0.4
71.04978	0.3
71.08633	1.4
73.02895	5.7
73.03283	0.3
79.05491	1.6
81.03392	2.9
81.07048	2.9
83.04980	1.2
83.08630	0.6
85.02888	7.8
85.10146	1.0
87.04482	0.4
91.03928	4.0
91.05476	0.4
92.09183	1.9
93.07049	1.2
95.04955	0.3
95.08572	2.0
97.02865	9.5
97.10151	0.3
98.15174	0.3
99.04473	1.6
101.02345	3.2
105.07058	0.6
107.08611	1.1
109.02887	1.0
109.10175	1.4
111.04478	0.3
119.08590	0.5
121.10184	0.5
123.08060	0.4
127.03879	2.2
135.11691	0.5
145.05020	0.4
145.10162	1.6
155.08638	0.3
163.11203	1.4
181.12216	0.3
185.04263	1.3
192.68492	0.3
203.05327	0.6
209.11707	0.3
239.23889	0.4
243.08298	2.3
249.11102	0.5
283.15558	1.2
313.27560	1.3
347.09326	2.8
350.18976	0.3
365.10571	0.6
405.13611	6.6
405.18674	0.4
467.18802	10.8
467.25204	0.4
497.30725	5.5
511.45422	0.3
629.24078	6.7
659.36035	4.6
723.42609	2.2
793.83209	0.3
885.48010	100.0
886.47961	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	885.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.6
69.03423	5.4
69.07043	1.5
69.71772	1.0
71.08623	1.4
72.26479	0.9
73.02901	5.4
77.31796	1.3
79.05464	1.3
81.03391	1.3
81.07055	5.7
85.02890	7.6
91.03957	2.4
92.08803	3.1
93.07025	4.1
95.08585	3.9
97.02879	7.1
101.02345	1.5
109.10154	1.2
117.06254	1.0
119.08582	1.1
127.03922	2.1
132.27399	1.0
135.11694	4.0
163.11133	3.5
177.80423	1.1
178.48358	1.0
227.12866	2.3
243.08482	1.7
249.11108	4.3
304.74359	1.0
347.09607	2.2
405.13757	7.1
430.42935	1.1
467.18741	8.9
497.30661	8.9
591.16376	1.0
629.24121	5.7
659.35754	7.8
723.42908	2.3
885.47986	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	884.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	63.3
69.03423	1.3
69.07043	8.9
71.04973	16.7
71.08613	21.3
73.02892	2.2
79.05473	8.8
81.03400	1.7
81.07040	22.0
83.04961	1.7
83.08599	13.8
85.02895	10.9
85.06561	2.0
85.10149	10.6
89.39980	1.3
91.03930	5.8
91.05459	8.7
93.07031	8.5
95.08591	23.9
97.02841	3.2
97.06514	1.7
97.10139	4.7
107.08570	5.4
109.10141	64.7
111.08020	1.6
119.08543	10.1
121.10064	2.0
123.11674	3.1
127.03857	1.4
135.11665	6.3
137.09618	13.2
145.10170	1.8
155.10640	1.8
163.11188	1.9
173.11696	11.6
181.12221	1.6
239.23660	1.8
255.15967	2.0
287.18448	13.0
313.27249	12.3
467.37247	69.9
481.38409	1.8
493.38428	5.1
525.41406	100.0
526.41907	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	884.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03906	1.8
67.05489	24.8
69.03416	24.6
69.07057	34.1
69.07406	3.1
71.04981	2.5
73.02895	2.6
79.05485	15.5
81.03403	20.3
81.07040	53.2
83.01349	2.2
83.08616	19.6
85.02884	34.4
87.76057	1.8
91.05471	14.3
92.09119	2.3
93.07019	26.9
95.04954	2.7
95.08579	63.0
97.02872	24.7
99.04453	10.7
105.07010	34.2
107.08572	51.3
109.02884	21.5
109.10140	55.6
109.44221	2.2
111.11679	2.5
117.07050	2.6
119.08559	66.2
121.10115	27.9
123.11676	24.1
127.03909	25.4
129.06975	2.6
131.08574	16.6
133.10126	37.9
135.11659	25.9
137.13237	7.9
142.07755	2.1
143.08549	12.5
145.04945	3.2
145.10080	38.8
147.11667	31.1
149.13231	9.6
156.09358	2.1
157.10115	21.1
159.11655	31.9
161.05949	2.4
161.13202	24.9
163.14767	4.4
169.10118	9.1
170.10857	2.3
171.11673	23.1
172.12450	2.3
173.13210	18.8
175.14769	13.6
183.11678	12.0
185.13242	15.9
187.05975	14.8
187.14795	32.2
189.16353	44.3
191.17914	3.8
196.12520	2.5
197.13243	11.6
199.14793	17.2
201.16339	22.7
203.17903	7.9
205.07031	14.2
207.17296	2.2
209.13120	2.6
209.89981	1.8
210.14073	3.9
211.14772	10.5
213.16423	12.9
215.17894	10.5
217.15881	2.6
217.19525	9.4
223.14816	2.8
224.15526	2.2
225.16275	9.0
227.17903	12.2
239.17923	16.6
241.19414	8.8
245.19080	4.0
251.17880	2.5
253.19511	4.6
255.21092	4.0
265.19537	2.4
267.20953	14.1
269.22452	3.1
271.23996	2.3
281.22607	3.7
285.22119	7.2
295.24161	3.4
297.25540	4.2
321.25757	2.4
323.27271	14.4
363.29886	2.2
405.35068	100.0
423.36081	52.5
423.41516	2.9
443.83270	2.0
507.29459	7.8
578.07928	2.3
627.42340	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	884.536
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	23.3
69.03413	31.6
69.07052	42.9
71.04979	6.6
71.08610	1.5
73.02879	3.4
77.07896	0.5
79.05043	0.9
79.05464	12.9
81.00562	0.5
81.03401	19.8
81.07036	51.9
83.01324	1.1
83.04952	0.8
83.08598	17.6
84.43607	0.5
85.02886	34.2
85.06525	0.8
87.04470	0.8
91.05452	14.8
92.08690	1.2
92.09209	2.4
93.07022	30.7
95.04924	1.4
95.08581	70.7
97.02868	66.8
97.06473	1.0
97.10146	6.4
99.04418	10.8
103.05452	0.7
105.06283	0.9
105.07011	38.4
107.08575	55.7
109.02862	13.9
109.06485	1.2
109.10139	60.9
111.11699	1.3
115.03884	1.0
117.07008	6.9
119.08559	67.7
121.10119	32.5
123.08044	1.2
123.11676	25.3
127.03883	20.6
128.06157	1.2
129.06952	4.7
130.07706	0.8
131.08539	20.8
132.55023	0.6
133.10101	40.9
135.08022	2.9
135.11659	25.6
137.09613	1.2
137.13228	13.2
141.06914	1.0
142.07724	2.4
143.08540	16.1
144.09314	1.2
145.04944	25.8
145.10104	42.5
146.10864	0.7
147.11667	32.5
149.09564	0.8
149.13223	12.9
151.11166	1.0
151.14798	3.1
155.08511	6.4
156.09335	3.2
157.10095	24.2
158.10841	1.5
159.11650	34.3
160.12372	1.2
161.09581	1.0
161.13223	23.6
163.11127	1.5
163.14764	7.3
167.08495	1.2
168.09280	1.2
169.04822	1.8
169.10071	14.1
170.10849	3.7
171.11647	22.0
172.12440	1.4
173.09543	0.9
173.13220	23.3
174.13997	1.1
175.11168	2.8
175.14792	14.3
177.12724	0.9
177.16351	3.5
179.14326	0.8
181.10071	2.4
182.10873	2.4
183.11641	15.2
184.12447	1.4
185.13222	18.5
187.05998	5.0
187.14780	37.1
189.16345	55.2
191.17882	6.6
195.11632	5.5
196.12444	2.8
197.13210	15.6
198.13943	2.3
199.14775	19.1
201.12808	0.7
201.16348	29.0
203.14287	1.3
203.17874	9.3
205.07031	20.2
205.15799	0.9
205.19435	1.4
207.17389	8.2
209.11516	0.8
209.13210	6.6
210.13986	3.0
211.14778	12.4
212.15475	1.4
213.16339	14.7
215.14330	0.9
215.17891	12.6
217.15929	1.2
217.19484	8.2
223.14767	3.9
224.15517	3.4
225.16304	11.9
226.17091	1.0
227.17908	10.0
229.19473	3.9
231.17400	1.1
231.20984	0.7
237.16351	3.8
238.17081	1.3
239.17876	16.5
240.18480	0.7
241.19489	8.3
243.21057	3.9
245.18930	7.1
251.17885	4.0
253.16740	1.1
253.19392	13.5
255.21039	8.6
257.19025	2.5
257.22516	3.7
265.19461	3.6
267.21024	16.9
269.22583	4.1
271.20447	4.2
271.23727	0.8
279.21097	5.8
280.21954	1.0
281.22534	7.7
283.24094	3.5
285.22083	12.5
293.22635	3.7
294.23434	1.4
295.24088	7.8
297.25647	6.3
299.23703	1.2
307.24194	1.1
309.25845	1.1
313.25067	1.2
321.25723	2.2
323.27240	18.2
325.28793	0.8
335.27255	3.3
341.28223	3.5
349.28870	6.1
363.29999	2.0
377.31885	0.9
390.32581	0.7
405.35083	100.0
406.35229	1.3
423.36127	51.6
507.29468	11.7
627.42444	24.8
628.43121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03893	0.6
67.05491	29.0
69.03400	4.1
69.07057	6.5
71.04975	5.1
73.02894	3.1
73.42115	0.6
79.05475	23.3
81.03401	45.8
81.06542	0.8
81.07037	27.5
83.04964	27.8
83.08607	16.8
85.02888	26.7
85.06519	2.4
87.04433	2.7
91.03924	4.0
91.05459	24.1
92.08669	0.7
92.09176	1.1
93.07022	23.9
95.04336	0.7
95.04944	19.4
95.08582	11.7
95.57243	0.6
97.02895	4.6
97.06490	7.1
97.10123	4.2
98.91119	0.6
99.04427	4.6
99.08067	1.4
104.96040	0.6
105.03388	2.4
105.07007	15.6
107.04935	7.7
107.08569	13.7
109.02856	1.2
109.06503	4.9
109.10130	8.0
111.04428	45.9
111.08063	21.6
113.05976	1.5
115.03934	7.7
115.05507	0.7
117.06997	3.7
119.08553	17.6
121.06462	4.1
121.09260	0.9
121.10126	23.0
123.08035	2.8
123.11694	0.9
125.05981	3.2
125.09585	0.9
127.03922	1.0
129.05478	1.1
129.06992	9.3
131.08533	11.6
133.06458	2.7
133.10106	8.9
135.08026	1.5
135.11676	16.5
137.05954	1.5
137.09595	2.9
139.07541	0.9
142.07761	0.8
142.61221	0.7
145.06544	0.8
145.10110	15.5
147.04405	1.5
147.08020	3.3
147.11665	12.8
149.09584	8.1
153.12712	20.0
155.08505	1.4
157.10117	11.4
163.11147	36.3
165.12695	3.2
173.09599	6.4
175.11151	13.4
181.12204	32.8
191.10626	24.4
193.12206	26.6
209.11710	11.2
211.13257	31.9
227.12755	23.6
241.14212	1.6
267.15878	17.8
283.15332	17.0
285.16885	27.7
290.54834	0.7
303.06381	0.6
315.17969	30.8
475.26822	11.0
493.27805	10.9
507.21994	0.8
507.29477	18.7
511.29056	6.6
525.30499	100.0
526.30811	1.5
720.71008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	13.8
68.61476	0.4
69.03408	3.1
69.07059	4.0
71.04960	2.7
73.02898	1.0
76.26611	0.4
79.05477	18.0
80.45470	0.4
81.03400	42.5
81.07040	17.0
83.01311	4.8
83.04961	8.1
83.08603	12.6
85.02891	7.5
85.06509	1.5
89.69948	0.4
91.03941	3.7
91.05460	16.7
92.08810	0.4
92.09315	0.4
93.07023	16.4
94.07312	0.4
95.04944	16.1
95.08576	7.9
97.02862	4.4
97.06522	4.1
97.10150	7.5
99.04436	0.8
103.05463	0.7
105.03390	5.4
105.06358	0.8
105.07016	12.5
106.03602	0.4
107.04939	10.0
107.08581	11.2
109.02865	2.3
109.06490	5.9
109.10159	6.3
111.04433	2.6
111.08073	4.1
113.05984	0.4
115.05436	0.8
117.06999	6.3
119.04886	0.9
119.08562	9.9
121.02820	0.4
121.06470	4.7
121.10134	7.0
123.04430	1.5
123.08018	5.0
125.02322	0.4
125.06002	0.9
125.09607	5.9
127.03867	0.5
128.06195	0.7
129.06995	7.0
131.04922	2.3
131.08534	8.2
133.06471	3.8
133.10094	4.1
135.04442	0.6
135.08060	2.8
135.11665	4.5
137.06006	2.1
137.09613	3.3
141.06952	0.5
142.07802	0.9
143.08563	1.8
144.76189	0.4
145.06471	2.9
145.10107	10.6
146.73715	0.5
147.04340	3.0
147.08015	4.5
147.11665	4.3
149.05966	1.6
149.09608	4.0
151.07512	0.5
153.07039	0.5
153.12759	2.0
155.08548	2.0
157.10066	5.0
159.08041	1.7
159.11630	0.8
161.05956	5.4
161.09592	0.8
163.11125	12.1
165.12682	0.7
167.07004	9.8
167.08440	0.8
169.10095	0.7
171.07976	1.8
171.11694	0.6
173.06029	0.8
173.09583	3.4
173.11775	0.7
175.07535	0.6
175.11166	4.6
179.08553	0.6
181.12218	2.2
183.07962	0.6
183.11838	0.4
185.09540	0.5
187.11145	0.8
189.05524	0.5
189.09047	0.7
189.11205	2.0
189.12747	0.5
191.07155	0.5
191.10693	2.1
193.10413	0.9
193.12186	9.9
195.11711	0.5
197.09616	0.6
197.13234	0.6
205.12215	2.0
207.11728	0.5
209.11626	2.2
211.11298	0.8
211.13272	1.6
213.12785	0.7
216.80795	0.4
220.12036	0.5
225.12788	0.6
227.12735	1.6
231.13794	2.0
243.13707	1.7
249.07629	0.4
249.14951	0.8
257.15234	0.4
259.13211	0.7
267.13025	0.6
267.15863	18.6
267.18658	0.8
269.15491	0.5
271.13303	0.8
273.14709	3.7
283.15329	13.2
287.16226	0.6
289.14340	3.7
337.21600	0.8
355.22488	2.8
365.21088	4.6
373.16928	0.4
383.22110	13.4
401.23154	6.6
403.23230	0.5
419.24490	0.8
431.24326	1.0
439.24762	0.7
457.25809	18.6
468.02075	0.4
475.26831	100.0
476.27234	1.5
493.27890	8.4
499.26447	0.5
517.27576	2.8
541.27826	0.8
543.10791	0.4
571.29633	0.6
577.25427	0.4
583.28760	0.7
601.30042	1.6
619.31232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
92.08899	6.8
92.30143	1.4
94.62683	1.6
97.88007	1.4
126.02174	1.9
162.45595	1.7
287.07440	2.2
628.15082	1.9
634.24072	1.8
883.53668	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	884.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	14.0
71.01334	0.1
71.04987	1.0
73.02901	0.6
77.03915	0.2
79.05478	5.7
79.82658	0.1
81.03397	9.0
83.04969	2.5
85.02888	14.4
87.04465	1.2
91.03912	0.3
92.08891	0.4
95.04947	4.0
97.02868	5.1
99.04433	3.1
103.03917	0.3
105.03371	100.0
106.03712	1.7
109.02863	6.8
111.04419	2.4
117.05466	0.7
123.04404	18.0
124.04694	0.1
127.03887	7.1
129.05453	4.3
135.06485	0.7
137.05980	0.2
145.04947	1.3
147.06499	2.8
149.06032	0.2
153.07582	1.1
165.05475	0.3
165.07564	1.9
183.08604	9.5
201.05458	0.1
208.25679	0.1
231.06500	1.9
249.07515	10.5
250.07806	0.3
267.08566	35.8
268.08853	0.8
269.09122	0.1
273.45465	0.1
303.85474	0.2
304.47781	0.1
401.14221	0.6
401.65131	0.2
413.13727	0.3
419.15268	1.2
431.09604	0.1
431.15363	0.8
449.16315	1.8
785.17816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.538
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33820	0.7
83.36342	0.7
91.17987	0.7
92.09052	3.0
107.32912	0.7
150.81233	0.7
215.09151	0.9
259.86862	0.8
287.07343	3.3
450.21542	0.8
452.19666	0.8
767.48889	1.4
883.53662	100.0
884.54077	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	882.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.0
66.61527	0.9
67.05490	26.9
67.71587	0.8
69.03403	4.3
69.07048	14.5
71.04967	1.4
71.08616	26.1
73.02879	4.5
79.05462	13.8
80.44872	0.9
81.03385	4.9
81.07034	61.9
83.04951	5.8
83.08599	15.1
83.47980	0.9
85.02891	12.6
85.06509	4.1
85.10162	13.6
87.04467	1.3
89.05995	1.3
91.03931	6.8
91.05456	17.9
92.08645	2.9
92.09258	6.3
92.45959	0.9
93.07017	10.6
95.04929	4.9
95.08582	28.8
97.02856	5.6
97.06497	4.3
97.10126	5.9
99.04379	0.9
99.08068	2.2
99.11671	1.0
102.95917	0.8
105.07011	24.3
107.04925	1.9
107.08594	7.4
109.06487	5.4
109.10136	9.6
113.05958	1.0
119.08559	17.7
121.10117	11.4
123.08024	4.1
123.11677	20.3
127.03782	1.4
127.07529	1.0
129.06950	2.0
131.08499	1.8
133.10088	5.8
137.13167	1.4
145.04900	1.2
147.11670	43.2
148.49467	0.9
157.10083	1.4
158.51869	0.8
162.50308	1.0
163.05931	1.7
165.12709	13.1
170.12395	0.9
175.11128	3.3
183.13661	1.1
193.12137	2.1
216.95311	1.0
229.14323	1.9
239.23622	1.4
257.24701	1.7
267.15854	39.8
283.15149	1.1
284.15601	1.3
285.16885	38.8
313.27298	100.0
314.27576	3.5
473.70023	1.0
505.38705	1.6
523.39801	88.0
580.89899	1.0
610.96552	1.1
680.37341	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03901	0.3
67.05489	18.0
69.03413	4.0
69.07050	9.1
71.04971	3.1
71.08612	22.5
73.02900	3.8
79.05004	0.3
79.05473	12.9
81.03396	38.5
81.07034	27.3
83.04958	9.5
83.08601	20.2
85.02885	28.1
85.06483	1.8
85.10160	14.2
87.04429	0.5
89.05969	1.7
91.03934	7.1
91.05457	19.2
92.09189	0.6
93.06503	0.5
93.07019	10.4
95.04942	14.0
95.08579	21.1
97.02867	8.3
97.06479	1.9
97.10143	6.6
99.04409	1.2
99.08044	0.7
99.11697	0.6
101.05952	0.6
103.07517	1.5
105.04460	0.5
105.07006	14.0
107.04930	4.1
107.08585	4.0
109.02811	0.5
109.06493	2.8
109.10131	10.4
111.04404	1.3
111.08056	4.8
111.11671	0.6
113.05946	1.5
115.03823	0.3
115.05428	0.5
115.07477	0.3
117.06969	0.5
119.04884	0.3
119.07721	0.4
119.08553	11.9
121.06451	0.4
121.10124	5.7
123.08018	1.6
123.11682	4.8
125.09551	1.3
125.13233	0.3
126.31150	0.3
127.03816	1.4
129.06079	0.3
129.06981	6.9
131.08534	8.4
133.06444	2.3
133.10091	6.6
135.07909	0.4
135.11671	0.4
137.09526	1.5
137.13228	0.6
139.25856	0.3
142.07732	1.7
145.04897	1.5
145.10068	1.3
147.07979	2.0
147.11656	10.3
149.09613	4.1
157.10085	10.2
163.05957	1.4
163.11098	0.4
165.12680	2.3
175.11153	10.0
193.12202	26.2
211.13246	20.7
239.04951	0.3
239.23639	2.1
257.24710	2.4
267.13043	0.5
267.15851	10.5
285.16898	28.6
313.27301	67.7
314.27747	0.6
373.27310	0.4
505.38791	15.7
523.39813	100.0
524.40283	1.6
580.41864	0.4
800.42004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33654	0.2
65.03921	0.4
65.50687	0.2
67.05492	22.3
69.03417	5.5
69.06667	0.3
69.07053	11.8
71.04975	5.2
71.08612	25.7
73.02895	5.4
73.06542	0.3
73.26579	0.2
79.05473	18.6
81.03398	54.5
81.07035	34.4
83.04453	0.3
83.04961	14.2
83.08601	29.4
85.02888	39.3
85.06502	1.6
85.10165	14.8
87.04442	1.0
89.06000	1.7
91.03386	0.5
91.03934	10.5
91.05459	25.9
92.08732	0.6
92.09249	0.3
93.06416	0.3
93.07022	13.8
95.04945	22.8
95.08583	26.7
96.04436	0.4
97.02869	11.0
97.06500	3.9
97.10140	7.8
99.04425	1.9
99.08061	1.2
99.11716	0.9
103.05439	0.3
103.07551	1.4
105.07013	18.6
107.04939	6.4
107.08585	6.3
109.02905	0.4
109.06496	4.2
109.10135	10.6
111.04422	1.8
111.08065	9.4
111.11708	1.1
113.05984	2.5
115.03922	0.4
115.05422	1.3
117.06987	1.6
119.04891	0.3
119.08561	17.6
121.06475	1.4
121.10123	7.4
121.10970	0.4
123.08041	2.7
123.11681	4.5
125.05968	0.4
125.09605	0.9
127.03895	2.4
127.07495	0.5
129.05470	0.3
129.06976	10.1
131.08545	10.6
133.06488	2.6
133.10103	10.8
135.11652	0.9
137.09592	1.9
137.13263	1.1
142.07767	3.0
145.04941	2.4
145.10091	1.8
147.08023	2.2
147.11670	15.7
149.09581	5.9
151.11186	0.5
151.14853	0.4
157.10106	13.9
163.05998	2.3
163.11168	0.5
165.12741	2.9
175.11153	14.4
188.15945	0.2
193.12207	38.3
211.13255	39.1
212.13606	0.3
221.22633	0.2
230.49651	0.2
239.23766	1.6
242.42406	0.3
248.17706	0.2
257.24664	2.1
267.12979	0.4
267.15854	15.3
285.16907	49.0
286.17355	0.4
313.27310	68.0
314.27655	1.0
444.41025	0.2
497.40811	0.3
505.38800	12.7
523.39838	100.0
524.40143	3.0
667.44336	0.4
884.21844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80477	0.5
65.03921	0.7
67.05487	28.1
69.03401	3.6
69.07051	20.5
71.04968	4.9
71.08611	27.6
72.12859	0.5
73.02879	4.5
73.06511	0.6
76.41972	0.5
79.05470	12.0
81.03397	2.0
81.07033	87.8
83.04955	6.8
83.08595	16.0
85.02885	16.2
85.06522	6.8
85.10164	16.4
86.91603	0.5
87.04445	0.9
88.39587	0.5
89.06011	1.2
90.63468	0.5
91.03932	10.0
91.05457	23.3
92.09083	0.9
93.07021	11.2
95.04936	2.4
95.08581	36.7
97.02869	9.9
97.06493	7.4
97.10162	6.3
99.04418	1.0
99.08067	4.6
101.05987	1.3
101.09834	0.6
103.07551	1.2
105.07007	37.5
107.08581	11.0
109.02854	0.6
109.06477	5.6
109.10143	10.5
111.08078	1.1
111.11723	1.1
113.05996	1.0
115.07556	0.8
119.08550	32.7
121.10117	22.4
123.08058	5.1
123.11672	36.2
125.13262	0.6
127.03838	3.6
127.07526	3.4
129.06955	0.8
131.08578	0.8
133.10152	3.5
137.13245	3.4
145.04906	2.1
145.10133	0.8
147.11658	79.0
157.10120	3.4
163.06003	2.4
163.95081	0.5
165.12706	30.8
175.11160	3.3
183.13795	2.3
193.12225	2.3
229.14285	3.7
239.23671	2.6
257.24728	3.2
266.86856	0.5
267.15842	81.1
268.16312	0.5
285.16888	81.5
286.17313	0.7
313.08670	0.6
313.27298	91.7
331.28397	2.1
523.39819	100.0
524.40192	2.4
532.75854	0.6
641.26398	0.5
805.08258	0.6
853.73547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.1
69.03415	17.4
71.04980	1.1
73.02902	2.5
73.03293	0.2
77.03918	0.2
79.05472	5.2
81.03399	8.4
82.26414	0.1
83.04965	4.2
85.02889	14.7
87.04459	1.6
89.79879	0.1
91.03936	0.7
92.08801	0.1
92.09303	0.1
95.04948	3.8
97.02869	5.4
99.04435	2.9
101.05974	0.2
103.03947	1.0
105.03373	100.0
106.03725	1.0
109.02866	5.4
109.75484	0.1
110.86069	0.1
111.04427	4.0
115.03858	0.2
117.05488	0.2
121.02818	0.2
123.04402	14.2
127.03893	6.8
129.05453	6.6
145.04929	1.2
147.06499	3.8
163.78365	0.1
164.26945	0.1
165.05466	0.2
165.07556	3.5
183.08611	14.8
189.05450	0.1
207.06450	0.2
231.06450	1.7
244.06075	1.0
249.04832	0.2
249.07526	9.3
267.08575	35.0
268.08841	0.2
273.09601	0.5
395.13092	0.2
399.12793	0.7
413.14346	0.9
431.15375	1.5
449.11465	0.2
449.16534	2.5
468.13565	1.4
468.63913	0.5
733.57886	0.1
893.80695	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94612	0.4
65.03930	0.5
67.05140	0.7
67.05492	19.3
69.03407	5.2
69.07045	4.3
69.09194	0.4
71.01328	0.4
71.04975	3.8
73.02907	3.4
79.05471	16.4
81.03399	41.1
81.07037	24.3
83.04967	11.1
83.08604	16.3
85.02887	31.8
85.06530	2.4
87.04465	1.0
88.78963	0.4
91.03936	3.7
91.05457	32.9
92.08829	1.5
93.07019	16.3
95.04945	18.9
95.08587	7.9
96.04462	0.5
97.02866	8.9
97.06520	2.9
97.10133	3.3
99.04446	1.0
99.08035	0.9
101.97265	0.4
105.03356	3.5
105.04476	0.5
105.07011	21.1
107.04940	7.4
107.08569	7.3
109.02863	7.5
109.06516	4.6
109.10157	4.8
111.04443	3.0
111.08071	7.9
113.01550	0.7
113.02347	21.8
113.05984	1.7
115.03899	0.5
115.05444	1.0
117.07001	3.6
119.04946	1.0
119.08555	17.9
121.02952	0.4
121.06473	5.6
121.10104	6.4
123.04401	1.0
123.08044	2.3
123.11674	2.2
125.09580	0.9
127.03903	2.8
128.06180	0.9
129.05507	3.3
129.06973	6.5
131.08525	9.3
133.06517	2.7
133.10101	39.3
135.08102	1.7
135.11656	0.9
137.05960	0.6
137.09613	2.1
142.07770	0.7
143.08524	4.0
145.04979	0.7
145.06477	0.9
145.10129	1.8
146.73395	0.4
147.04425	0.7
147.08076	3.3
147.11655	9.8
149.09596	4.1
151.07550	0.7
151.11165	12.1
153.09105	1.0
157.10110	9.6
161.09584	16.6
161.10843	0.8
163.11119	1.9
165.09094	0.8
165.12744	2.4
167.07027	2.2
171.08040	1.8
175.11142	9.0
179.10616	17.1
179.12088	0.9
181.04926	3.4
182.05312	0.7
184.07329	0.5
189.09059	6.2
189.10678	0.5
193.12198	29.3
207.10126	6.9
211.13258	29.6
217.21788	0.4
219.13913	0.5
225.11230	2.9
233.08168	0.5
239.12807	2.2
267.15845	11.7
285.16916	23.1
310.85297	0.4
313.16382	30.8
340.64969	0.4
400.49445	0.4
403.66806	0.4
473.25269	1.9
491.26285	2.3
505.27899	12.0
509.27899	0.6
523.28925	100.0
524.29260	2.3
679.40198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	5.0
64.22997	1.1
67.05492	15.9
69.03413	1.7
69.07059	11.1
71.04984	1.0
71.08619	26.0
73.02892	2.1
77.24700	1.1
79.05470	17.8
81.03380	4.5
81.07040	24.0
83.04973	2.6
83.08603	15.1
85.02887	5.3
85.10178	13.6
85.39921	1.2
91.03939	1.9
91.05461	4.9
93.07034	23.0
95.04955	4.4
95.08012	2.0
95.08585	40.2
97.02881	5.9
97.06499	1.3
97.10159	4.2
99.04445	2.6
105.07021	6.7
107.04922	6.0
107.08569	20.0
109.06528	1.5
109.10140	10.1
117.07008	6.6
119.08556	6.7
121.06488	4.2
121.10144	12.1
123.11680	1.7
133.10132	1.8
133.82719	1.1
135.11670	35.7
145.10118	26.8
153.12634	1.2
163.11148	45.8
180.62663	1.1
181.12216	8.8
227.12753	43.5
257.24747	2.0
283.15332	35.0
313.27313	99.1
314.27686	1.3
340.34036	1.1
346.39368	1.2
521.38287	100.0
522.38831	2.4
901.01843	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	6.2
61.44983	0.4
67.05494	16.9
69.03424	2.1
69.07055	10.3
71.04974	3.1
71.08615	23.0
73.02905	2.3
79.05120	0.5
79.05476	17.2
81.03405	3.3
81.07037	23.8
83.01319	1.0
83.04961	2.8
83.08604	14.9
85.02888	5.8
85.06525	0.6
85.10172	12.4
89.06017	0.8
91.03931	2.5
91.05457	4.8
92.08700	0.9
92.09254	1.0
93.06424	0.5
93.07024	27.7
95.04969	4.8
95.08582	44.5
97.02871	5.0
97.06506	3.3
97.10139	3.4
99.04433	4.1
99.11729	0.8
103.07558	0.8
105.07015	5.1
107.04942	7.7
107.08581	24.2
107.55788	0.4
109.06518	2.4
109.10139	9.4
111.04391	1.6
111.08076	0.8
111.11668	0.6
113.06020	0.7
117.06991	8.1
119.08555	10.2
121.06477	5.6
121.10120	10.2
123.08061	0.8
123.11688	2.9
125.06000	4.2
125.09605	0.6
130.07759	0.7
131.08585	0.6
133.10094	3.4
135.08052	2.3
135.11667	44.0
136.79343	0.5
137.13255	0.9
139.07518	1.8
143.08592	0.8
145.04965	0.8
145.06427	0.8
145.10107	26.5
153.12782	1.0
155.08560	0.6
163.05991	0.7
163.11151	65.0
173.09628	0.6
181.12210	11.6
181.13646	0.7
209.11795	0.7
227.12741	59.9
239.23683	2.4
257.24734	2.2
283.15347	69.2
313.27322	83.1
314.27689	0.8
423.31430	0.5
521.38281	100.0
522.38495	1.6
635.46869	0.5
655.29156	0.5
887.42664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	15.0
65.03914	0.4
67.05492	15.3
69.03413	3.4
69.07052	7.9
71.01315	0.7
71.04968	3.6
71.08613	23.3
73.02554	0.3
73.02900	5.1
74.09631	0.3
79.05471	14.8
81.02947	0.3
81.03401	8.6
81.07038	22.3
83.00867	0.4
83.01323	8.6
83.04966	10.3
83.08603	17.2
85.02889	19.5
85.06499	1.8
85.10167	12.7
89.05998	2.0
91.03407	0.5
91.03932	9.7
91.05456	9.1
92.08718	0.3
92.09187	0.7
93.07023	20.8
95.04417	0.3
95.04949	5.0
95.08581	19.3
96.04430	0.3
97.02868	9.6
97.06512	3.8
97.09605	0.3
97.10145	4.9
99.04417	3.2
99.08037	0.5
99.11668	0.4
100.11980	0.3
101.02313	0.4
103.05382	0.4
103.07537	1.4
104.48870	0.3
105.07012	7.8
107.04937	7.2
107.07877	0.4
107.08578	10.3
109.02820	0.5
109.06510	6.0
109.10146	9.0
111.04425	2.1
111.08035	1.3
111.11668	1.3
112.60038	0.3
115.03899	0.4
117.06995	6.5
119.07817	0.4
119.08566	6.5
119.84198	0.3
121.06474	2.9
121.10126	7.2
123.04351	0.4
123.08036	7.8
123.11683	2.4
125.05933	1.9
125.09566	0.6
127.03873	3.5
129.06944	1.3
130.07726	1.5
131.08551	2.7
133.10078	1.5
135.08092	2.0
135.10660	0.4
135.11679	10.9
137.09563	0.7
137.13188	1.4
139.07526	0.7
143.08521	0.6
145.04919	3.2
145.06383	0.6
145.10107	14.3
147.08002	2.2
149.09575	0.3
151.14828	0.3
153.12671	2.4
155.08507	1.5
163.05959	3.0
163.11150	21.7
173.09561	3.2
181.12181	2.9
182.00668	0.3
191.10655	3.0
209.11736	5.5
221.22652	0.5
227.12769	2.6
239.23546	2.1
257.24652	2.6
283.15347	100.0
284.15491	0.5
295.97629	0.3
313.27310	77.7
314.27689	1.3
521.38269	57.0
522.38928	1.0
551.97803	0.3
673.34314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5828
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	8.0
67.01867	3.1
67.05491	28.0
69.03411	18.8
69.07054	20.2
71.04977	4.8
71.08617	24.9
75.04496	2.3
79.05465	9.6
81.03400	56.7
81.07036	43.9
83.08612	19.5
85.02887	13.8
85.10164	16.9
89.06004	3.0
91.05470	8.2
92.09005	19.8
93.07023	4.7
95.08579	58.7
96.96163	1.8
97.02869	45.3
97.06502	3.7
97.10146	8.3
99.04426	19.5
103.03942	2.0
105.07030	8.1
107.08592	4.3
109.02860	100.0
109.10142	30.3
111.11683	4.7
115.03899	2.3
117.05465	78.0
119.08540	4.9
121.10130	3.8
123.11682	15.2
127.03901	61.3
133.10130	8.1
147.11720	2.5
156.34767	1.8
159.06499	80.4
165.16356	4.0
169.46736	2.0
183.17438	7.4
187.05949	14.0
189.16399	7.6
207.17401	4.4
225.18449	4.0
229.07076	4.1
239.23700	11.9
247.08081	9.8
257.24710	13.7
341.23129	4.9
355.28476	2.3
366.33307	2.1
439.41394	93.2
463.41336	2.7
535.66895	2.5
537.44464	2.9
579.45929	17.7
597.47144	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	879.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79312	0.3
65.03928	3.5
67.01846	0.3
67.05492	1.8
69.03420	1.9
69.07023	0.3
71.04942	0.2
74.22511	0.2
78.04702	2.6
79.05480	3.0
81.03401	4.0
81.07021	1.1
82.04170	1.0
83.04931	0.3
85.02884	3.9
91.05447	4.6
92.09000	1.7
93.03365	0.4
93.07004	0.4
94.04153	0.3
95.04948	6.1
97.02885	2.0
97.06487	1.2
99.04413	0.6
103.05446	1.8
105.03374	27.5
105.04491	1.5
105.06993	1.0
106.04156	1.3
107.04929	2.9
108.02068	0.4
109.02863	2.9
110.03651	2.0
111.04396	1.4
115.05427	6.2
117.06996	9.9
119.04918	4.2
119.08521	1.0
121.06518	0.3
121.10097	0.2
122.03625	0.6
123.04395	8.5
124.05201	3.3
125.05956	1.4
127.03908	2.0
127.05404	1.6
129.06944	0.4
131.04897	1.3
132.05663	0.3
133.02847	0.4
133.06381	0.4
135.04395	1.0
137.05942	5.7
138.03104	1.1
139.07408	0.3
142.02589	1.2
143.04907	1.2
144.05701	0.4
145.02788	0.3
145.06470	15.0
147.04388	10.6
147.08005	1.0
151.03871	2.5
151.07478	0.5
152.04657	2.1
153.05420	1.1
155.06000	4.3
157.34264	0.3
160.05179	0.4
161.05907	1.4
163.03821	0.3
165.05461	1.4
167.07002	100.0
171.06496	4.3
172.05219	0.4
173.05951	20.0
175.07523	1.5
176.04601	0.3
177.05516	0.5
179.06978	1.3
181.04922	52.5
191.06958	1.3
191.08556	0.4
193.08565	0.3
194.07372	0.3
195.06337	0.3
201.05450	1.3
202.06285	0.3
203.07025	2.7
205.08566	5.5
213.05513	0.3
219.06512	1.1
221.08090	0.3
231.06441	0.4
233.08035	5.4
234.06683	0.3
235.07486	0.5
235.09566	4.7
236.08278	0.2
237.09077	0.4
249.07584	1.2
250.06223	0.5
263.06955	0.5
265.08469	1.3
273.07477	0.6
281.08167	0.4
282.08737	0.4
287.05511	0.5
292.07172	0.3
293.08060	0.4
294.08798	0.4
297.11230	1.4
299.09277	0.3
310.08322	1.2
325.10660	1.9
327.08554	0.4
342.11069	0.4
353.10413	0.3
354.10785	0.3
355.11749	0.4
357.13193	5.0
367.22482	0.2
385.12735	17.4
386.13300	0.5
387.14441	2.3
393.11832	0.8
397.12558	0.3
415.13885	0.6
416.14584	1.1
417.15332	14.5
515.16693	0.3
613.22662	1.8
627.70294	0.3
790.85065	0.3
879.30341	23.0
880.30579	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5824
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	8.8
67.01842	8.2
67.05491	27.5
69.03411	20.8
69.07051	28.5
71.04977	3.4
71.08610	21.0
75.04489	2.0
79.05474	4.7
81.03397	59.9
81.07041	38.1
83.08600	15.5
85.02878	12.9
85.10157	14.8
89.06038	2.5
91.05457	4.0
92.08998	10.6
93.07021	9.2
95.08582	54.6
97.02861	44.5
97.06527	2.3
97.10145	12.4
99.04456	18.4
103.03887	2.7
105.06976	3.8
107.08532	3.3
109.02856	89.1
109.10139	25.3
111.11706	8.7
117.04669	3.7
117.05468	80.9
119.08579	3.7
119.48985	1.9
123.11681	12.0
127.03887	56.7
137.13237	7.9
145.04921	2.0
147.11649	2.2
159.06497	52.3
165.35558	2.0
169.04984	4.0
187.05934	15.5
193.19531	4.1
211.20551	20.7
217.19484	3.5
229.07074	2.7
229.21655	15.2
235.20552	8.4
247.08061	12.5
253.21536	2.6
327.25211	5.0
439.35602	3.8
439.41370	100.0
440.41461	2.0
463.40985	2.2
579.45691	19.1
597.47443	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	2.6
63.93775	1.1
67.05488	26.8
69.07060	10.9
71.08614	15.3
75.51495	1.0
79.05473	34.1
81.03381	5.4
81.07037	30.8
83.04955	6.3
83.08613	10.0
85.02920	3.8
85.06517	1.6
85.10157	9.8
91.03934	1.3
91.05459	26.7
91.63950	1.3
92.08995	11.0
93.07017	37.8
95.04953	12.9
95.08580	27.8
97.02831	1.8
97.06543	1.3
97.10125	5.0
105.07009	23.5
107.04934	1.8
107.08588	8.1
109.05814	1.1
109.06489	4.5
109.10112	7.4
112.84663	1.2
117.07008	2.6
119.08550	13.6
121.10097	1.1
123.08044	4.7
129.06982	11.1
133.10098	6.4
143.08534	5.7
145.10103	5.9
147.07991	1.6
147.11646	17.6
161.13200	6.8
162.37830	1.3
171.11638	13.2
189.12718	4.7
200.42163	1.1
207.13800	12.4
257.24597	1.2
281.17444	35.8
313.27307	37.0
314.27377	1.2
415.71521	1.3
422.07291	1.1
447.85254	1.6
504.35693	1.2
519.40338	100.0
571.06873	1.2
635.01355	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02679	0.1
61.02915	1.6
61.49035	0.1
65.03922	0.6
68.99775	0.6
69.03073	0.2
69.03417	4.4
71.01328	1.1
71.04974	0.5
73.02901	4.1
79.05466	0.2
81.03401	5.5
82.38445	0.1
83.01311	0.6
85.02886	2.9
87.04449	0.2
89.02406	0.1
91.03935	0.9
91.05460	7.5
92.09167	0.2
93.07005	0.1
95.04935	0.5
95.08569	0.2
97.02875	2.1
99.00792	6.1
99.04437	0.9
101.02357	2.9
105.03352	0.6
107.04935	0.7
109.02868	1.9
111.00779	1.0
111.04393	0.1
114.37542	0.1
115.32669	0.1
117.01826	0.6
119.03519	3.7
119.04916	23.1
120.05277	0.1
121.02837	3.5
121.06426	0.2
127.03884	2.6
129.89969	0.1
133.02814	0.6
135.04399	0.1
137.02310	1.0
139.77518	0.1
145.04944	0.9
145.06468	0.3
147.04387	64.6
148.04701	0.6
153.01805	4.6
157.06471	0.5
161.05894	0.2
165.01813	2.4
165.05420	0.2
165.49443	0.1
169.06564	0.1
171.02922	1.4
171.04292	0.2
173.05940	0.1
177.05376	0.2
183.02863	1.5
185.05981	0.7
189.03883	0.1
197.06076	0.2
199.03847	0.2
212.08299	0.2
213.05455	1.7
213.09021	1.0
217.03394	2.7
219.08180	0.1
231.06456	1.1
237.09073	0.5
241.04927	1.1
243.04863	1.2
258.05215	1.3
259.05908	0.5
265.07068	0.7
287.05441	100.0
288.05731	1.5
291.08545	1.6
293.08047	0.3
303.04608	0.2
309.09671	1.3
329.06564	0.8
361.07513	2.1
379.08563	1.1
411.10519	0.2
665.70068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	13.1
67.05492	50.6
69.03432	2.6
69.07057	22.7
77.36989	2.5
79.05475	45.1
81.07033	77.3
83.08606	6.0
85.02875	13.4
86.09637	3.2
88.96162	2.8
91.03944	5.0
91.05462	31.3
92.08971	21.4
93.07022	39.9
95.08577	51.8
97.02846	5.7
97.06490	5.5
105.07005	43.8
107.08564	32.9
109.10140	16.0
117.07017	5.7
119.08561	30.6
121.10127	26.9
123.11752	4.3
131.08542	17.7
133.10095	21.1
133.55432	2.4
135.11641	5.0
141.77428	2.8
143.08507	4.1
145.10129	16.8
147.11665	25.0
149.13199	4.6
155.08528	3.1
159.11610	13.4
161.13283	4.9
165.12677	3.4
171.11676	3.8
173.13234	4.4
185.13200	2.7
187.14835	2.9
239.16313	13.7
259.20416	3.3
261.80743	2.9
287.05399	4.5
292.65857	3.1
303.89243	2.9
335.25644	15.9
416.84192	2.8
425.33871	14.7
499.37720	24.1
515.24640	3.6
517.38837	100.0
518.39508	4.6
710.71436	3.3
791.24689	3.1
850.43829	2.8
876.46338	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	876.531
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	10.3
67.05147	1.9
67.05495	55.4
69.07060	20.1
71.04957	2.9
73.02932	2.4
79.05055	2.0
79.05478	42.9
81.03409	1.9
81.07041	76.1
83.04947	2.0
83.08596	8.2
85.02898	12.3
85.06503	2.4
88.29184	1.4
91.03948	9.6
91.05461	33.1
92.08849	7.5
93.07030	45.7
93.88062	1.3
95.04949	2.9
95.08007	2.2
95.08590	49.6
97.02902	5.2
97.06473	3.1
97.10138	2.0
105.06358	2.4
105.07018	41.1
107.08590	30.7
109.06532	1.4
109.10142	18.1
111.04406	1.2
111.08045	1.2
116.93008	1.3
117.06982	9.9
119.08562	33.5
121.10128	24.6
123.08056	1.3
123.11663	3.1
126.90588	1.2
127.03866	1.4
129.07021	5.2
131.08543	23.1
133.10095	23.0
135.11699	11.8
135.82530	1.2
137.09608	1.8
137.13242	1.7
143.08534	6.4
145.10107	20.6
147.11668	19.8
149.09535	1.3
149.13231	7.9
157.10081	5.5
159.11647	15.8
161.13222	10.6
163.14835	2.5
165.12741	5.5
166.19664	2.0
171.11687	6.1
173.13234	11.7
175.14825	2.5
183.11617	2.3
184.07312	2.1
185.13193	5.4
187.14854	5.4
189.16402	1.6
199.14690	4.5
201.16422	1.6
225.16196	1.6
239.16272	11.4
241.17909	2.4
259.20520	2.8
287.23520	1.8
309.89352	1.4
335.25647	13.3
388.00082	1.6
425.34158	11.1
432.76819	1.5
443.35013	5.0
447.30743	2.0
499.37741	30.1
509.32455	1.3
517.38812	100.0
781.42261	1.7
876.43707	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	8.7
64.33278	1.2
66.54496	1.4
67.05495	55.7
69.03410	1.6
69.07056	21.0
71.04965	2.0
73.02901	2.5
74.91785	1.1
79.05048	2.7
79.05476	38.5
81.03446	1.9
81.07040	74.1
82.09075	1.2
83.04966	2.6
83.08599	12.2
85.02895	11.5
85.06525	1.3
89.85730	1.3
91.03928	2.8
91.05468	32.5
91.12720	1.3
93.07023	44.9
95.04959	3.2
95.08592	51.8
97.02885	5.7
97.06507	2.7
97.10123	2.8
99.08074	1.5
105.07015	39.9
106.37096	1.4
107.08577	29.5
109.06467	2.3
109.10146	19.1
111.08106	1.8
115.05508	1.4
117.07034	10.4
119.08562	35.4
121.10124	20.1
123.08015	1.7
123.11732	10.3
129.06956	5.1
131.08539	20.1
133.10110	21.7
135.11661	12.2
137.09587	1.5
137.53287	1.4
143.08549	7.9
145.10115	20.4
147.11673	23.9
149.13257	6.6
155.08507	2.0
157.10127	6.5
159.11684	14.2
161.13210	6.9
163.14822	2.3
165.12781	2.9
169.10208	1.8
171.11708	6.2
173.13252	8.5
175.14781	3.0
181.10161	1.3
183.11703	1.9
185.13202	5.1
187.14775	3.2
189.16428	1.7
199.14781	1.9
201.16307	1.8
239.16483	7.0
241.17793	2.1
259.20639	2.8
315.23102	2.1
333.24042	2.6
335.25711	23.4
342.52518	1.6
425.34116	11.0
435.30557	1.6
443.35016	5.5
499.37891	23.3
517.38843	100.0
518.38855	1.9
574.00494	1.7
876.45648	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	876.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	7.3
64.35278	0.7
65.03923	1.1
67.05491	22.8
67.19520	0.6
69.03414	32.2
69.07059	3.0
71.04969	12.9
73.02897	3.3
77.93526	0.6
79.05468	13.6
81.03397	12.2
81.07030	9.1
83.04968	3.9
83.08555	0.8
85.02888	83.1
85.06532	8.7
87.04443	3.9
91.03928	4.2
91.05463	8.9
92.08945	4.3
93.07025	8.7
95.04945	40.0
95.08588	7.5
97.02862	25.1
97.06496	8.8
99.04446	4.5
101.05975	1.2
103.97608	0.6
105.03378	5.1
105.07009	18.7
105.07671	1.3
107.04911	1.1
107.08570	49.8
107.86476	0.8
108.08889	1.0
109.02859	8.5
109.06512	3.6
109.10145	3.0
111.04427	1.7
111.08087	0.9
113.05984	72.4
115.03922	0.9
117.07015	5.5
119.04909	3.5
119.08549	7.9
121.06461	2.6
121.10111	5.5
123.04433	0.8
127.03899	18.8
129.06989	1.3
131.08537	18.3
133.06476	2.9
133.10104	6.6
135.04385	1.5
135.08014	1.4
135.11678	3.7
137.05936	1.7
143.08557	7.0
145.02766	1.0
145.04927	17.2
145.06584	0.8
145.08588	8.9
145.10110	32.2
147.04384	9.1
147.11674	13.2
149.05945	0.9
149.09590	4.5
149.13251	0.9
151.07454	1.2
155.08539	0.7
157.10097	7.0
159.08040	1.0
159.11626	10.2
161.09593	7.0
161.13232	1.2
163.03894	1.7
163.06018	4.5
163.07390	1.1
163.11147	3.0
165.09100	1.1
165.12720	3.7
167.06990	1.6
169.10094	3.0
171.11652	5.0
173.09578	22.7
173.13223	3.7
175.07495	1.1
175.11121	8.1
177.05531	0.9
177.12721	4.4
179.07088	0.9
181.04988	1.5
183.11552	1.0
185.09775	0.9
185.13222	1.4
187.11148	5.1
189.07561	3.1
189.09090	1.1
189.12732	1.0
191.10629	15.0
191.14308	4.1
197.13179	2.3
199.14772	1.2
201.12746	1.0
209.15269	1.5
211.14835	1.1
215.10664	3.0
221.13216	1.0
225.08899	0.7
225.12863	1.1
229.12213	0.8
235.14774	1.2
253.19449	16.7
257.10040	5.1
269.11588	0.8
271.20544	11.7
275.11203	3.4
277.19507	1.5
287.05328	8.5
289.21640	1.4
291.20834	0.9
309.22064	2.8
319.20297	6.0
325.11206	9.3
327.23303	0.7
337.21545	22.0
340.52499	1.0
355.22552	23.7
373.23645	50.6
373.28348	1.7
391.24698	100.0
392.25067	1.4
409.25790	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	874.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02632	0.6
61.02914	8.3
65.03931	2.3
67.05490	54.3
69.03408	2.2
69.07056	16.6
71.01332	2.6
71.04976	3.4
71.24467	0.4
73.02901	3.0
74.03528	0.4
74.41370	0.4
75.89580	0.4
79.05471	48.3
81.03380	3.1
81.07034	40.6
83.04967	9.2
83.08592	6.2
85.02882	9.4
85.06542	2.0
87.04456	0.4
91.03929	6.5
91.05460	19.8
92.08666	1.5
92.09253	1.5
93.07018	59.8
95.04942	5.7
95.08580	26.4
97.02850	4.4
97.06510	8.9
97.10133	8.4
97.10654	0.5
99.04432	0.7
99.08071	1.1
103.05450	0.6
105.04531	0.4
105.07007	12.1
107.04934	1.8
107.08575	38.2
109.06509	1.9
109.10139	12.2
111.08056	2.0
117.01532	0.4
117.07000	6.3
119.08566	12.0
121.10112	14.0
123.08040	0.5
123.11671	3.4
125.09599	1.0
126.55957	0.4
127.03889	2.1
129.07056	0.5
130.07748	0.4
131.08543	7.5
133.10101	8.8
135.08072	0.5
135.11665	38.1
137.09592	1.7
137.13228	0.6
139.11230	0.5
143.08549	1.0
145.04976	0.5
145.10103	11.4
147.11684	3.1
149.13229	5.1
151.11165	0.7
153.12744	2.6
159.11685	4.3
161.13245	2.8
163.11156	5.6
163.14828	2.7
171.11681	0.5
173.13159	3.5
181.12190	4.9
187.14764	2.1
199.13246	0.8
243.21106	2.4
253.14368	1.7
255.15852	37.8
259.20639	0.5
261.22067	9.9
317.24622	0.8
335.25742	34.4
423.32462	0.9
441.33649	0.6
497.36209	1.9
515.37201	100.0
516.37573	1.9
533.38428	3.8
874.44611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	13.7
61.50418	0.8
65.03912	1.4
67.05492	74.2
68.27435	0.8
69.03411	2.0
69.07051	19.3
71.01331	5.5
71.04964	5.0
73.02892	4.6
74.83862	0.7
79.05473	64.3
80.05839	0.8
81.03418	7.1
81.07035	61.0
83.04964	11.2
83.08595	5.5
85.02885	15.9
85.06527	4.8
91.03954	8.1
91.05458	30.0
91.39323	0.7
92.08994	5.8
93.07021	85.2
95.04957	8.1
95.08003	1.5
95.08585	36.3
97.02866	7.6
97.06499	13.4
97.10149	11.7
99.04434	1.0
99.08053	2.0
105.07014	15.4
107.04930	1.1
107.08573	53.7
109.06483	3.1
109.10140	18.1
111.08057	1.8
117.07017	9.5
119.08560	13.2
121.06470	3.8
121.10125	21.8
123.11679	3.6
125.09595	1.1
127.03873	1.4
129.06943	1.5
130.07747	1.0
131.08527	7.9
133.10098	12.7
135.07991	1.4
135.11667	64.5
136.73953	0.8
143.08534	1.0
145.04916	1.4
145.10101	14.9
147.11665	5.1
149.13235	5.7
153.12744	1.0
157.10054	1.1
159.11658	4.1
160.48181	0.8
161.13272	1.4
163.05959	1.3
163.11125	6.2
163.14789	1.8
172.01289	0.9
173.13210	4.3
181.12196	12.6
187.14848	1.5
199.13260	1.1
215.17889	0.9
242.62489	0.8
243.20938	3.5
253.14227	1.7
255.15846	100.0
261.22165	10.9
274.74048	0.8
317.24576	1.0
321.48627	0.8
335.25745	44.5
423.32480	2.0
441.33218	1.4
497.36099	2.0
515.37207	90.1
533.38293	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	872.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02895	4.2
65.03909	3.1
67.05147	3.8
67.05491	100.0
69.03419	20.3
69.07050	60.5
71.04969	3.1
79.05475	81.6
81.03400	22.6
81.07041	86.8
83.04957	13.8
83.08604	14.6
85.02892	6.7
91.05462	69.4
92.08936	12.7
93.07021	70.8
95.04937	16.9
95.08587	48.1
97.02888	5.7
97.06488	17.1
97.10146	12.5
105.07011	66.5
107.04931	16.4
107.08559	46.4
109.06506	12.9
109.10151	32.3
111.08036	5.6
117.07009	23.3
119.08543	34.3
121.06467	5.1
121.10089	20.4
123.08022	5.5
125.09574	5.1
129.06969	11.7
130.62354	2.6
131.08560	25.8
133.10106	26.1
135.07962	3.4
135.11670	10.6
137.09618	5.6
143.08548	4.4
145.10167	19.0
147.11674	10.7
149.09656	20.4
149.13248	6.7
155.08513	4.1
156.07536	2.6
157.10094	5.6
159.11658	10.4
161.13194	5.5
163.11107	12.9
169.10104	4.0
171.11664	6.0
173.11797	3.8
173.13155	3.9
183.11554	3.2
187.11171	2.7
227.12892	5.5
229.14363	5.4
269.17453	10.4
275.20041	25.3
291.19330	4.2
349.23755	36.9
365.23160	3.7
367.24643	3.0
378.08691	2.8
543.36774	10.5
561.53607	3.1
623.42676	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	872.448
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	3.7
65.03908	0.6
67.05140	1.0
67.05491	21.3
69.03407	4.5
69.07059	6.7
71.04970	3.5
73.02887	2.3
78.23159	0.4
79.05470	21.4
81.03396	100.0
81.07032	24.7
82.03733	0.6
82.07388	0.5
83.04960	13.2
83.08601	23.9
85.02890	18.2
85.03325	0.5
85.06525	2.7
91.03956	3.5
91.05455	29.1
92.09091	0.8
93.07019	17.4
93.07571	1.0
95.04941	35.6
95.08582	9.6
97.02866	7.3
97.06502	3.4
97.10137	5.8
99.04421	0.8
99.08041	0.7
102.49908	0.5
103.05411	0.6
105.03369	4.4
105.07011	24.6
107.04932	12.1
107.08576	10.1
109.02866	0.8
109.06498	6.6
109.10145	4.4
111.04427	2.6
111.08062	10.7
113.05987	2.6
115.05437	1.1
117.07004	2.8
119.04926	1.1
119.08554	21.2
121.06489	6.4
121.10122	11.0
123.04414	2.4
123.08052	4.6
123.11674	1.1
125.09602	6.6
127.03912	1.1
128.06177	0.5
129.06981	18.0
131.04898	2.2
131.08540	17.7
133.06465	7.5
133.10104	11.3
135.04437	1.9
135.08054	2.6
135.11662	1.9
137.05937	1.9
137.09618	2.7
141.06940	1.0
142.07774	3.6
143.08530	2.9
145.02852	0.7
145.06497	6.4
145.10110	3.3
147.04382	2.6
147.08023	7.1
147.11667	14.3
149.05946	0.7
149.09586	9.5
151.07486	0.9
151.11148	0.7
153.05617	0.5
153.07030	0.6
153.09058	0.7
155.08560	1.1
156.55667	0.5
157.06419	1.0
157.10101	15.8
159.08060	0.9
159.11665	1.0
161.05873	1.8
161.09476	0.6
163.03816	5.9
163.05983	0.5
163.11130	2.8
165.12711	3.2
167.07039	1.1
167.08456	0.5
169.10107	1.0
171.08018	0.9
171.11653	1.2
175.07657	0.8
175.11143	15.5
175.12633	0.8
177.05431	1.1
181.04944	2.1
183.11760	0.7
185.09586	0.8
189.11171	1.1
193.12207	37.9
195.11671	1.9
197.13219	0.7
199.11118	0.6
203.36876	0.6
205.12187	1.0
207.11720	0.6
211.11266	0.7
211.13219	14.3
211.15033	0.8
215.14209	0.7
219.13826	0.8
229.14220	0.9
231.13719	0.8
237.12599	0.9
249.14894	2.8
255.13707	3.8
267.15848	81.0
268.16211	2.2
270.78076	0.5
273.14774	8.1
283.16782	0.8
285.16904	10.5
287.05576	0.5
323.19931	0.5
339.23102	0.7
341.21121	2.2
342.63141	0.5
349.21640	2.9
353.09781	0.5
357.24301	0.6
367.22650	5.4
385.23660	7.6
403.24710	2.2
433.25769	13.0
441.26199	6.2
459.27292	71.2
460.27448	1.8
477.28397	42.3
478.28928	1.8
495.29361	2.3
501.28223	2.4
519.29504	2.2
567.28937	0.7
585.30530	2.0
603.30853	0.7
621.32605	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02594	0.6
61.02910	20.0
65.03922	4.9
67.05486	48.6
69.03065	0.8
69.03410	13.9
69.03761	1.0
69.06706	0.8
69.07047	14.2
71.01306	2.0
71.04971	7.3
73.02898	11.8
73.06528	0.7
74.09701	0.6
79.05470	50.1
80.06239	0.8
81.03393	100.0
81.07031	53.4
82.04175	4.6
83.01303	0.8
83.04454	1.1
83.04957	33.5
83.08597	35.7
85.02884	52.0
85.06527	3.6
86.24620	0.5
87.04455	1.1
91.03400	0.8
91.03936	12.3
91.05453	56.2
92.09002	4.2
93.03362	2.1
93.07014	35.3
94.04142	0.7
95.04939	46.6
95.08578	20.2
96.05183	0.5
96.05743	0.7
97.02858	21.1
97.06494	12.7
97.10143	18.0
98.07288	6.8
99.04404	3.1
99.08048	3.0
101.02321	1.2
101.06006	1.2
103.03929	1.2
103.05414	3.3
105.03368	17.8
105.07004	37.6
107.04935	17.5
107.08575	21.8
109.02847	4.3
109.06506	11.4
109.10137	14.2
110.03610	2.3
110.07269	0.6
111.04422	9.9
111.08060	17.9
113.05937	3.6
115.03877	0.7
115.05431	3.4
116.04678	15.0
116.06252	0.6
117.05425	0.6
117.06975	6.9
119.04899	2.4
119.08550	34.5
121.02857	3.7
121.06460	7.6
121.10103	14.5
123.04379	3.3
123.08034	8.6
123.11677	3.3
125.05959	6.0
125.08710	1.0
125.09594	17.0
127.03881	4.4
127.07503	0.8
127.11161	3.1
128.06221	1.2
129.05452	38.7
129.06935	17.3
130.07704	0.7
131.04881	3.6
131.08536	22.4
133.02815	1.2
133.05695	0.5
133.06496	7.4
133.10092	18.0
135.04341	0.9
135.08028	5.8
135.11650	5.8
136.08749	0.6
137.05943	6.3
137.09586	5.3
137.13264	0.7
139.07559	0.6
139.11046	0.6
141.06960	0.8
142.07721	4.1
143.07013	9.3
143.08049	0.8
143.08516	0.5
143.10585	0.6
145.02850	0.6
145.04895	2.8
145.06493	0.9
145.10103	10.1
147.04359	2.8
147.08028	6.3
147.11649	23.2
149.05905	2.6
149.09575	10.8
151.03831	1.2
151.07509	1.3
151.11153	0.7
153.05438	6.5
153.09061	3.6
153.12712	2.8
157.08563	13.9
157.10078	22.6
158.05759	1.9
159.07988	1.1
161.05899	2.5
161.09514	0.6
162.06691	0.6
163.05975	2.1
163.07462	2.3
163.11163	8.7
164.11893	1.3
165.12692	5.1
167.07014	10.1
167.08398	1.0
171.06500	4.4
171.07858	0.7
171.10106	6.6
173.09549	2.2
173.11685	3.1
175.07599	3.8
175.11134	23.5
177.05487	1.3
177.09108	0.9
179.06972	0.6
181.04941	3.9
181.08565	0.5
181.12212	4.2
185.08032	0.9
185.11612	1.0
187.07446	0.8
189.09099	2.7
189.11168	8.6
190.04623	0.5
191.06947	1.0
191.10590	3.7
193.12189	61.6
195.08086	1.2
199.09547	1.0
199.13234	13.7
200.13982	2.6
201.14738	0.6
209.07991	1.1
209.11639	8.0
210.06784	0.9
211.13240	63.2
213.11124	1.2
215.39877	0.5
217.08521	1.0
219.08165	0.7
219.10092	1.0
223.07516	0.7
224.08330	0.5
225.09039	2.0
227.10699	0.8
227.12723	14.1
229.14296	4.2
233.07986	0.6
237.09045	0.9
238.06345	0.6
238.09802	1.2
239.07033	1.2
240.07652	2.2
241.14316	0.6
247.13184	2.9
249.07277	0.6
249.14760	1.1
251.06834	0.7
251.10649	0.6
253.08537	5.4
253.12132	1.2
254.09125	1.0
255.15845	3.8
262.38129	0.5
265.14258	1.2
266.09122	0.6
267.10159	0.7
267.15836	22.5
269.07977	0.6
270.08829	0.6
279.10037	0.8
280.10410	0.5
281.11569	2.3
283.09598	3.3
283.15366	15.1
283.18619	1.0
285.16891	44.4
295.09586	1.2
299.12631	2.4
301.16388	42.3
309.10995	2.6
311.12430	0.7
311.22220	0.7
313.10464	2.3
313.14041	1.0
321.16782	0.9
325.23596	0.6
327.12210	7.4
328.12531	0.7
329.13571	0.9
331.15237	0.8
339.12021	2.0
339.17798	3.5
339.21481	0.8
340.12677	0.6
341.13544	1.1
357.13004	0.7
359.14786	23.8
361.16370	0.9
367.20746	1.1
371.14716	2.8
389.15765	3.4
409.25720	5.9
421.25540	0.9
427.26904	6.2
439.26773	24.3
459.27246	3.4
475.26755	6.6
476.27402	2.4
477.28156	4.1
492.41556	0.6
493.27817	17.8
494.28607	4.3
511.28860	50.9
512.29523	1.0
554.26123	0.6
655.32635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03596	0.4
65.03926	7.6
67.05491	1.8
69.03411	2.5
69.07072	0.3
71.04963	0.4
72.16029	0.2
73.02920	0.2
75.04443	0.2
77.03895	0.3
79.05473	3.0
81.03397	6.5
81.07042	1.2
82.04180	1.3
83.04968	0.8
83.08585	0.3
85.02885	4.8
91.05448	3.1
93.03375	3.8
93.07022	1.3
95.01308	1.3
95.04943	6.4
95.08587	0.4
97.02864	3.1
97.06491	0.7
99.04433	0.8
99.90850	0.2
103.03915	1.0
103.05441	1.1
105.03372	43.5
105.04517	1.1
105.07014	1.6
107.04940	3.7
107.08561	0.3
108.02083	0.3
109.02859	3.8
109.06490	0.4
110.03645	7.8
111.04431	12.2
111.08039	0.2
115.05459	1.0
117.03363	0.2
117.06993	1.2
119.04927	2.2
119.08588	0.8
121.02838	7.1
121.06480	1.2
121.10122	0.4
122.03662	0.2
123.04411	3.5
123.08092	0.3
125.05970	11.8
127.03889	1.5
129.07011	1.7
131.04916	2.6
131.08522	0.9
132.05699	0.3
133.02834	3.6
133.06454	1.0
135.04401	0.8
135.08032	0.8
137.05959	7.0
138.03114	1.0
141.06969	1.0
143.04878	0.5
143.08621	0.3
144.05710	0.5
145.06474	1.5
146.07234	0.3
147.04401	2.4
147.08031	1.2
147.11597	0.2
148.05200	0.4
149.02319	2.4
149.05975	1.9
150.06874	0.3
151.03902	1.5
151.07526	3.7
153.05447	20.1
154.02534	0.2
155.08565	0.2
157.06493	1.0
159.04446	0.2
159.08032	1.2
160.05240	0.3
161.05940	3.7
161.09607	2.0
162.06750	1.0
163.03902	0.2
163.07547	2.4
165.05428	1.1
165.06976	1.6
165.09079	0.2
167.07022	5.7
167.08557	1.0
168.05766	0.2
169.06441	2.0
171.08080	0.3
173.05925	0.5
174.06754	0.4
175.07503	3.0
177.05446	1.2
177.06894	0.3
177.09041	2.4
178.07712	0.5
179.07001	1.0
179.08534	1.2
181.04915	1.2
181.06488	1.8
181.08530	1.8
182.07217	1.3
183.08064	0.9
184.05212	0.7
184.08830	0.2
185.05974	0.4
185.09601	0.3
186.06711	0.2
187.07529	1.4
188.08241	0.8
189.05360	0.4
189.07242	0.4
189.09096	2.2
190.07799	0.4
191.06990	1.1
191.08553	0.4
192.09320	0.2
193.06555	0.4
193.08565	1.8
193.10153	0.8
193.12288	1.0
194.07228	1.0
195.08058	2.7
195.09802	0.3
196.05167	0.3
196.08885	0.4
197.05943	2.9
197.09647	1.4
198.06700	0.4
199.07495	0.7
199.11227	0.3
201.09073	1.0
202.07860	0.3
203.06985	1.7
203.08586	0.3
205.06612	0.6
205.08469	0.3
206.07260	1.4
207.06479	0.9
207.08052	1.3
207.09959	0.4
208.08788	0.8
209.05920	0.9
209.09601	1.1
209.11510	0.3
210.06705	2.6
210.10367	0.4
211.07487	2.8
211.11208	0.4
211.13246	0.4
212.08276	1.5
213.05563	0.3
213.09103	0.5
214.06203	0.4
215.06927	0.4
217.06526	0.3
218.07240	0.4
219.08047	1.1
219.10199	0.8
220.08815	0.4
221.06046	1.7
221.09566	2.7
222.06796	1.1
222.10335	1.2
223.07524	4.3
223.10988	1.5
224.08292	2.5
225.05411	1.0
225.09079	4.5
226.06097	0.3
226.09877	0.3
227.06932	2.5
227.10513	1.5
229.08531	1.9
233.08047	1.3
234.06711	1.7
235.07538	1.8
236.08240	0.4
237.05348	0.8
237.09082	3.4
238.06233	2.9
238.09822	3.6
239.06998	3.6
239.10538	1.9
240.07745	7.8
241.08517	2.1
242.09378	0.4
243.10081	0.3
244.10805	0.3
247.07353	0.3
248.08255	0.4
249.05267	0.6
249.07431	1.9
249.09175	2.1
249.11346	0.7
250.06195	0.4
250.09816	0.9
251.06955	3.3
251.10693	1.5
252.07744	3.1
253.08568	17.3
253.12190	6.9
254.09312	2.5
255.06479	2.4
255.10088	5.9
257.08002	5.6
257.11838	0.5
262.06192	0.3
263.06989	1.2
263.10617	0.4
264.07751	0.4
265.08563	1.9
266.05716	1.1
266.09338	3.9
267.06375	1.0
267.10422	4.3
267.15820	0.4
268.07306	3.0
268.10754	0.4
269.08054	3.8
269.11642	0.9
270.08826	3.5
270.12384	1.0
271.09430	0.2
271.13196	1.5
272.10379	0.5
275.09225	0.3
277.08511	1.9
278.09387	0.3
279.06430	1.1
279.10120	1.2
280.07303	0.7
281.08090	4.9
281.11703	7.0
282.08878	2.0
283.06329	0.7
283.09592	9.8
283.12814	0.5
283.15643	0.5
284.10287	2.6
285.07587	0.9
285.11166	4.4
285.14783	2.0
291.10034	0.4
293.08047	0.5
293.11719	0.3
294.08682	1.5
295.09601	4.3
296.10291	1.1
297.07663	0.7
297.11133	2.4
298.08417	1.0
298.11938	3.0
299.09296	0.8
299.12692	7.7
300.09888	2.4
303.15765	1.6
307.09479	0.3
308.10355	0.3
309.11176	9.0
309.14746	0.4
310.11957	3.1
311.09161	0.8
311.12704	1.1
312.09879	0.4
313.10654	12.7
313.14334	5.3
316.13153	0.7
317.13852	0.5
321.11267	0.3
324.09402	0.2
325.10806	0.6
325.14523	0.3
326.11456	1.6
327.12204	30.5
328.12897	2.5
329.13626	0.4
331.15350	3.6
339.12332	2.0
340.12845	0.3
341.13782	4.8
343.15402	1.5
344.12167	0.3
345.16971	0.5
351.12421	0.3
353.13498	0.3
355.15262	0.2
357.13248	0.3
359.14816	100.0
360.15009	1.8
361.16412	4.8
371.10217	0.3
371.14841	8.2
373.16306	0.8
385.16611	0.3
389.15869	3.3
397.12625	0.9
401.15936	0.3
467.17114	0.3
491.20612	0.4
493.27615	1.4
509.21768	1.6
625.22711	1.5
668.66199	0.2
796.10150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.354
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	4.4
65.03922	7.3
67.05150	0.5
67.05494	12.2
69.03418	4.6
69.07062	3.3
69.23326	0.4
71.01316	0.6
71.04966	0.9
73.02888	2.8
75.04444	0.6
76.56174	0.4
79.05469	13.6
81.03396	25.7
81.07034	13.6
82.04182	2.3
83.04971	7.6
83.08598	7.6
84.48808	0.5
85.02886	16.3
91.03940	2.3
91.05458	13.8
92.09161	0.6
93.03377	4.1
93.07018	9.9
95.01307	0.5
95.04940	14.8
95.08592	3.9
96.77337	0.4
97.02864	8.0
97.06509	3.0
97.10148	3.7
98.07294	0.6
99.04445	0.9
103.03938	1.0
103.05463	1.9
105.03370	43.4
105.07007	9.6
107.04938	6.7
107.08535	4.3
108.02069	0.5
109.02859	3.6
109.06487	1.9
109.10148	4.0
110.03645	8.1
111.04420	12.7
111.08066	4.0
114.36863	0.4
115.05431	0.8
116.04670	2.1
117.06992	2.1
118.97916	0.4
119.04917	2.8
119.08547	6.6
121.02846	7.5
121.06461	2.5
121.10074	3.9
122.03577	0.6
123.04421	3.5
123.08051	2.3
124.05248	0.7
125.05961	13.1
125.09595	4.0
127.03905	2.1
128.06128	0.6
129.05461	6.2
129.06944	4.5
131.04848	3.0
131.08537	5.0
133.02834	2.5
133.06499	2.0
133.10088	4.7
135.04434	0.6
135.08015	0.9
135.11626	1.7
137.05945	8.5
137.09599	0.5
138.03111	0.7
141.06998	0.9
142.07759	1.0
143.07007	0.7
145.06441	1.6
145.10104	1.8
147.04373	3.4
147.08026	1.1
147.11668	3.2
149.02313	3.3
149.05919	1.9
149.09607	2.0
151.03889	2.1
151.07504	3.0
153.05457	19.0
153.06718	0.8
157.06528	1.6
157.08606	2.4
157.10095	4.3
159.08061	0.8
161.05925	3.8
161.09595	1.0
162.06705	0.8
163.06131	0.5
163.07506	2.5
163.11136	2.0
165.05441	0.8
165.06883	0.7
165.09103	0.8
165.12764	0.7
166.06332	0.5
167.07014	7.1
167.08415	1.3
169.06491	0.9
171.06499	0.6
171.10165	0.6
173.09457	0.6
173.11784	0.6
174.06659	0.9
175.07535	3.6
175.11136	4.7
177.05460	0.7
177.06920	0.7
177.09096	2.5
179.07005	0.8
179.08522	0.5
181.04918	3.0
181.06331	1.3
181.08614	2.2
182.07285	0.9
183.07973	0.6
184.05168	0.8
185.09549	0.5
187.07564	0.8
188.04617	0.6
189.09090	2.3
189.11072	0.8
191.07004	0.8
191.08557	0.6
193.06456	0.8
193.08537	0.8
193.10347	0.9
193.12201	12.8
194.07265	0.4
195.08055	2.9
197.05954	2.4
197.09583	1.7
199.13226	1.6
201.09100	0.7
203.06961	1.8
205.06471	0.5
206.07208	0.6
207.08191	0.7
209.05997	0.6
209.09677	0.5
209.11583	0.8
210.06726	2.0
211.07457	2.3
211.13254	12.8
212.08299	1.6
213.09102	0.8
214.06337	0.7
219.07939	1.5
219.09952	0.6
221.05995	0.9
221.09598	2.7
222.06665	1.7
222.10320	0.8
223.07489	5.0
223.11171	2.0
224.08276	2.2
225.05399	0.7
225.09044	5.0
227.06989	2.7
227.10732	0.9
227.12833	2.5
229.08537	1.1
229.14330	0.8
231.08163	0.7
234.06653	1.7
235.07489	2.2
236.04918	0.5
236.08237	0.6
237.09048	3.8
238.06226	3.4
238.09859	4.0
239.06955	4.7
239.10719	2.1
240.07748	9.0
241.08485	2.3
249.07249	1.9
249.09108	2.9
250.06104	0.7
250.09885	0.6
251.06879	3.2
251.10719	2.0
252.07689	4.0
253.08543	17.2
253.12184	7.1
254.09200	2.7
255.06456	2.4
255.10120	5.5
257.08035	4.9
259.09555	0.5
263.07126	0.6
263.10535	0.7
264.07703	0.8
265.08536	2.9
266.09262	4.2
267.06247	0.7
267.10345	4.7
267.15805	4.9
268.07248	2.2
268.10895	0.5
269.08035	4.5
269.11453	0.6
270.08752	3.2
270.12482	0.5
271.13156	1.7
272.10413	0.6
277.08524	2.2
278.09183	0.8
279.06595	0.8
279.10074	2.3
281.08057	5.4
281.11649	6.7
282.08774	3.2
282.11658	0.5
283.06277	0.7
283.09619	10.3
283.15518	3.4
284.10315	3.6
285.08084	1.0
285.11154	3.5
285.14307	0.8
285.17117	8.6
291.09866	0.6
293.11526	0.7
294.08795	0.9
295.09555	5.6
296.10291	0.9
297.11237	2.1
298.08392	1.6
298.11996	3.0
299.09546	0.8
299.12726	7.3
300.09781	1.9
301.16425	7.1
303.15735	1.0
309.11172	8.8
310.11905	3.0
311.09149	0.6
311.12607	0.8
313.10614	12.8
313.14264	5.7
321.11133	0.7
326.11380	0.6
327.12210	26.3
328.12921	2.6
331.15317	4.4
339.12231	2.6
341.13895	3.4
342.14117	0.6
343.15228	1.8
359.14801	100.0
360.15097	0.9
361.16470	4.3
371.14832	7.0
389.15942	3.9
397.12701	0.9
401.15845	0.5
409.25958	1.1
427.26666	1.0
439.26627	5.6
475.27100	1.9
493.27853	4.9
494.28888	0.7
509.21704	1.9
511.28848	8.4
625.22705	0.7
637.19928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	5.4
67.05491	21.3
69.03419	3.2
69.07045	7.8
69.61691	0.7
71.04977	3.4
71.08609	8.0
73.02898	1.6
79.05476	7.0
81.03384	0.9
81.07037	21.3
83.04967	4.0
83.08595	4.7
85.02898	6.7
85.06535	1.8
85.10165	4.4
91.03931	4.5
91.05457	19.8
93.07037	7.5
95.04933	1.4
95.08578	8.4
97.02864	4.5
97.06535	0.9
99.04446	1.3
105.07008	14.7
107.08578	16.1
109.06506	3.3
109.10140	37.3
109.10854	1.5
113.05949	1.1
117.06969	1.4
119.08581	1.1
119.37434	0.8
123.11677	6.5
127.07555	0.8
131.08519	1.1
132.09380	0.8
133.10107	45.9
145.04898	0.9
151.11145	22.2
161.09595	1.4
169.12199	1.8
215.12781	1.4
253.14291	100.0
271.15298	16.2
313.27301	20.4
509.38330	33.3
514.70972	0.9
576.18823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	9.5
64.16490	1.0
66.62887	0.9
67.05144	1.6
67.05489	34.5
69.03411	47.3
69.07051	88.7
71.04675	0.8
71.04977	10.6
71.08614	1.5
73.02888	4.0
78.73964	1.1
79.05472	16.7
81.03400	27.6
81.07035	63.7
83.01335	1.4
83.08599	29.1
85.02888	49.2
87.04435	1.5
89.90754	1.0
91.05451	16.1
92.08990	9.2
93.07017	34.6
95.04945	1.2
95.08582	89.6
95.39799	0.9
97.02867	96.5
97.06479	1.6
97.10139	9.5
99.04433	17.2
105.07011	40.9
107.08575	56.7
109.02862	18.2
109.10139	88.2
111.11700	6.2
115.03890	1.3
117.07004	9.8
119.08559	56.3
121.10121	40.6
123.11678	33.1
127.03868	27.4
129.06972	5.8
131.08536	23.2
133.10095	37.5
133.11702	1.3
135.11671	44.2
137.13229	29.5
143.08546	11.1
144.09355	1.7
145.04935	42.4
145.10088	37.7
147.11659	39.9
148.19925	1.3
149.13235	18.5
151.14795	5.3
153.12717	1.1
156.09355	1.5
157.10101	15.8
158.10797	1.3
159.11656	49.4
161.13223	34.2
163.14804	16.5
165.16313	1.2
169.10066	1.3
171.11650	19.8
172.12494	1.8
173.13226	36.8
175.14792	25.2
177.16341	5.0
183.11635	6.1
185.13196	23.1
186.13969	11.2
187.05962	7.5
187.14774	38.8
189.16373	23.1
191.17900	7.4
197.13225	4.9
199.14786	17.5
201.16350	24.7
203.17928	11.4
205.07047	19.2
205.19481	1.3
211.14812	6.7
213.16399	14.7
214.16989	1.8
215.17929	23.2
217.19408	8.4
219.21118	1.3
225.16344	6.0
226.17128	1.4
227.17892	14.1
229.19456	47.9
231.21069	1.4
239.17892	2.3
241.19359	11.5
243.21007	6.0
247.20457	7.9
253.19395	1.8
254.20078	1.4
255.21025	19.5
257.22495	6.3
259.24033	1.9
267.20901	2.1
269.22586	56.8
271.24081	7.4
281.22614	4.1
283.24109	18.8
287.23611	6.5
295.24152	7.8
297.25699	18.6
309.25522	1.5
311.27563	1.9
325.28830	10.6
337.28757	1.3
351.30234	2.4
398.03625	1.1
407.36624	100.0
408.36841	2.0
425.37744	15.3
451.26602	4.3
477.28546	1.8
491.29910	20.7
505.31348	1.5
519.32843	5.9
522.39264	1.1
526.38135	1.5
629.43640	16.8
677.28278	1.3
732.41510	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02635	0.6
61.02912	9.9
63.35755	0.5
65.03911	4.4
66.04701	0.6
67.05146	0.9
67.05490	20.3
69.03413	11.8
69.07049	6.6
71.01339	1.5
71.04954	3.7
73.02892	5.7
74.44888	0.5
75.04458	0.7
79.05473	26.1
81.03395	35.6
81.07035	17.6
82.04162	1.1
83.01318	4.9
83.04966	14.6
83.08604	10.2
84.02122	0.7
85.02890	24.2
85.06514	1.6
87.04415	0.7
91.03932	5.8
91.05459	22.3
92.08987	4.9
93.07021	21.1
93.07601	0.6
94.04141	1.0
95.01324	1.3
95.01923	0.6
95.04948	23.8
95.08582	7.6
97.02877	13.7
97.06503	5.2
97.10139	7.3
98.07285	2.5
99.04423	5.2
103.03928	4.1
103.04747	1.2
103.05444	27.7
105.03370	90.6
105.06371	0.8
105.07018	13.3
106.07316	0.7
107.04939	13.0
107.08561	13.4
108.02058	1.5
109.02859	10.2
109.06474	5.6
109.10146	6.5
111.04427	4.8
111.08070	4.2
115.05445	9.2
115.67830	0.6
116.04697	4.7
117.07014	11.7
118.04150	5.7
119.04891	4.8
119.08563	8.6
120.05740	0.6
121.06468	6.1
121.10114	6.2
122.03626	4.9
123.03611	1.0
123.04414	11.3
123.08052	6.5
123.11682	1.1
124.05193	0.9
125.05946	5.0
125.09579	6.3
127.03877	3.7
127.07510	0.7
128.06195	0.8
129.05461	13.6
129.06947	6.3
130.04128	0.8
130.07697	1.2
131.04898	47.4
131.08528	6.7
132.05592	0.9
133.02815	3.1
133.06451	5.9
133.10104	6.2
134.03600	0.7
135.04369	1.3
135.07990	4.9
135.11629	6.6
136.64267	0.7
137.05952	100.0
137.09550	1.3
138.06273	1.3
139.07481	1.2
141.05440	2.7
141.06937	2.7
142.07773	1.3
143.04878	3.2
143.07001	3.3
144.05673	1.5
145.02831	0.7
145.04878	1.2
145.06471	12.8
145.10083	10.1
146.03564	1.3
147.04393	6.6
147.08069	4.6
147.11644	6.5
148.05153	11.9
149.05971	4.7
149.09512	2.5
151.03885	88.8
151.04987	7.1
151.07516	2.7
153.05432	4.8
153.12720	1.5
157.06441	3.2
157.08562	6.0
157.10095	3.3
158.05640	0.9
159.08020	1.2
160.05199	2.6
161.05968	7.8
161.09636	1.0
162.06728	0.9
163.03766	0.9
163.06078	2.1
163.07497	35.0
163.11131	16.5
165.05446	5.2
165.09076	0.9
165.12784	0.7
167.07002	12.6
169.05229	0.8
169.06441	6.9
171.04353	1.3
171.06470	2.7
171.10162	0.9
173.05934	8.4
173.09579	1.5
174.06612	1.2
175.07523	14.6
175.11084	1.3
176.04636	3.1
177.05399	7.3
177.09001	1.2
179.07117	4.5
181.04922	38.7
181.12161	4.7
183.04590	0.7
185.06023	0.7
186.06688	0.7
187.07419	6.4
188.08157	1.0
189.05434	3.0
189.09021	3.4
189.11241	3.3
190.04648	0.7
190.06230	3.4
191.06993	92.6
191.10600	3.4
192.07439	0.9
193.04910	1.4
193.08548	2.5
193.12213	3.8
195.06471	1.0
197.05940	5.8
198.06566	0.7
199.13216	3.0
200.14006	1.3
201.05479	0.9
201.09117	2.6
203.06947	10.7
205.06676	1.7
205.08566	8.6
207.06432	3.6
207.08162	1.3
207.10011	1.2
209.08014	1.5
209.11681	3.8
211.07426	1.0
211.13289	1.2
212.08237	0.8
214.06189	1.2
215.06964	1.4
217.06685	0.9
217.08560	4.1
219.08083	1.5
219.10065	1.5
223.07516	0.8
223.09564	1.1
223.13210	0.9
225.05405	1.0
227.07109	0.7
227.12691	8.3
229.08638	6.7
233.08165	5.7
234.06709	0.9
235.07594	1.5
235.09567	4.8
237.09164	2.6
249.07239	6.3
251.06900	1.5
255.15868	0.9
257.07962	12.5
259.09485	1.0
263.09140	13.9
264.07516	0.8
265.08487	4.0
265.10889	1.4
267.08395	1.3
267.15820	6.7
269.08084	0.7
275.09210	1.6
277.08481	3.5
281.11752	0.8
281.17569	0.7
282.08862	1.0
283.09653	0.8
283.15308	33.5
285.16849	0.8
295.09476	1.3
297.11182	1.0
301.16400	22.6
305.07874	1.0
307.50659	0.7
309.11179	2.9
323.08847	0.8
327.12308	1.6
329.13693	2.9
337.10480	1.2
337.16525	1.4
339.12161	2.5
351.12204	1.2
353.13699	0.8
354.21210	0.8
355.11734	5.0
357.13120	1.5
369.13275	5.5
371.14661	4.5
379.11475	1.4
387.14291	48.8
397.12848	4.8
404.14572	0.8
407.24017	0.9
425.25195	0.8
437.25311	5.9
473.28860	2.9
475.26746	4.9
491.26154	1.4
492.26981	3.4
509.27344	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02897	0.3
66.37579	0.2
67.05479	0.4
69.03064	0.4
69.03416	7.4
69.07049	1.2
71.04974	1.2
73.02905	0.2
77.03937	0.2
79.05479	5.0
81.03403	14.5
81.07042	2.1
82.07368	0.2
83.04980	0.3
85.02887	9.5
85.06514	0.2
91.05463	1.0
92.08591	0.3
92.09112	1.1
93.07030	1.2
95.04948	4.6
95.08589	1.3
96.08920	0.3
97.02872	10.2
99.04446	2.5
105.03376	100.0
105.07005	0.8
106.03702	0.3
106.69057	0.2
107.04926	0.4
107.08608	2.3
109.02866	10.2
109.06497	0.8
109.10169	1.6
119.04921	1.0
119.08536	0.4
121.10149	1.8
123.04398	9.9
123.11747	0.3
127.03896	6.5
129.58875	0.2
131.04933	0.8
131.08562	0.4
133.10107	11.5
134.10515	0.2
135.08028	1.7
135.11693	0.4
137.05959	9.5
137.09590	7.5
145.04941	1.4
147.04401	6.0
147.11691	0.3
149.13232	1.8
153.05476	1.3
167.07054	0.3
173.13228	0.3
177.05490	0.3
179.06984	1.6
181.08569	0.5
191.14290	3.6
195.06480	0.4
209.15364	4.0
231.06535	0.4
249.07529	24.7
250.08005	0.3
266.08978	0.2
267.08585	30.5
268.08685	0.3
305.10245	0.3
309.27902	0.2
310.27957	0.3
319.11786	0.4
345.29807	0.5
371.20465	0.3
411.14026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	2.4
62.12411	0.1
64.37067	0.2
65.03938	0.2
67.05490	0.2
69.03413	23.6
70.49268	0.1
71.01332	0.2
71.04981	1.5
73.02892	1.1
75.04442	0.2
75.36443	0.1
77.03906	0.6
79.05473	6.6
81.03397	9.4
83.04961	5.4
85.02886	18.8
87.04445	4.0
91.03907	1.2
91.05455	3.1
92.09114	0.7
95.04941	3.8
97.02868	7.0
99.04423	4.0
103.03915	1.3
105.03371	100.0
106.03703	1.0
109.02855	6.9
111.04424	5.3
113.66493	0.1
115.03900	2.1
117.05477	0.5
123.04398	17.7
127.03889	6.2
129.05453	9.2
133.04935	1.9
136.46249	0.1
145.04950	1.3
147.06479	4.6
150.07605	0.2
165.05510	0.5
165.07542	3.8
175.06061	0.2
178.06209	0.2
183.08603	20.9
201.05574	0.2
207.06531	0.2
223.09598	0.3
231.06448	2.0
232.96585	0.2
249.07512	10.0
253.70842	0.2
259.08035	0.3
266.09641	0.1
267.08566	33.6
268.08969	0.2
273.09537	0.3
295.10205	0.3
413.14255	1.2
431.15421	1.9
449.16452	3.4
782.20856	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02890	1.3
65.03918	2.5
67.05482	9.1
67.58710	0.5
69.03403	7.2
69.07047	2.9
71.01330	0.9
71.04955	2.4
73.02870	1.0
79.05467	14.5
81.03397	21.5
81.07027	8.8
82.04176	0.7
83.01321	1.2
83.04956	3.9
83.08591	3.8
83.39366	0.5
85.02882	15.3
91.03927	0.8
91.05457	10.8
93.03371	0.7
93.07016	8.4
94.04127	0.6
95.01318	1.0
95.04930	15.1
95.08566	3.9
97.02857	10.5
97.06502	2.6
97.10110	3.1
99.04406	1.4
103.03922	3.9
103.05439	26.0
105.03364	88.5
105.04507	3.7
105.07001	8.3
107.04935	9.5
107.08571	5.0
107.55260	0.6
108.02103	0.6
109.02850	9.6
109.06480	4.6
109.10123	4.2
110.03632	0.8
111.04402	3.5
115.05424	6.9
116.04642	0.6
116.06171	0.7
117.06979	8.8
118.04124	6.5
119.04905	5.2
119.08552	4.5
121.06474	3.2
121.10111	2.2
122.03590	4.5
123.04394	8.8
123.08047	2.2
125.05930	3.7
125.09592	1.3
127.03853	3.3
128.06209	0.7
129.05440	3.3
129.06946	5.1
129.94624	0.6
130.04120	1.1
131.04893	47.7
131.08531	3.2
132.05624	0.8
133.02774	4.5
133.06445	5.9
133.10106	2.5
135.04396	1.0
135.08005	2.8
135.11639	3.9
137.05943	100.0
139.03871	0.7
139.07520	0.9
141.05415	3.3
141.06920	2.3
142.07719	0.5
143.04895	4.0
143.07007	0.7
145.02896	0.7
145.05205	0.8
145.06453	9.4
145.10069	2.5
146.03589	1.3
147.04372	6.8
147.07999	3.3
147.11601	2.0
148.05162	13.0
149.05943	5.1
151.03874	94.0
151.04961	6.0
151.07486	3.3
153.05406	2.7
153.12755	0.6
157.06453	3.0
157.08621	1.2
157.09978	1.1
159.08043	2.2
159.11688	0.8
160.05112	3.1
161.05928	7.1
162.06755	1.0
163.03922	1.1
163.07491	36.5
163.11118	3.4
165.05411	5.7
165.09023	0.8
167.06999	10.4
169.06419	4.4
171.04364	2.3
171.06479	1.2
172.05037	1.0
173.05911	7.3
173.09560	0.7
173.11609	0.7
174.06671	1.3
175.07492	16.1
176.04655	4.4
177.05431	5.3
177.08971	1.3
179.06990	4.6
179.08429	0.8
181.04913	30.1
187.07512	5.8
188.08086	0.7
189.05417	1.1
189.09062	2.0
189.11055	0.7
190.06210	2.4
191.06982	87.3
193.04860	1.2
193.08543	2.3
193.12189	1.3
194.07153	0.7
195.06470	1.4
197.05945	5.2
199.13200	0.8
201.05328	1.4
201.08839	1.8
203.06979	10.4
205.06685	1.3
205.08554	8.4
207.06369	1.4
207.08122	1.3
207.10013	1.3
208.08809	0.7
209.08009	2.9
209.11627	1.2
211.07437	1.4
213.05276	0.7
214.06242	1.4
215.07001	1.4
217.06644	0.7
217.08569	3.2
219.08125	0.7
219.10046	0.9
223.09586	0.8
225.05405	1.2
227.07033	0.7
227.12692	0.9
229.08537	7.1
229.14299	1.0
231.06371	0.8
233.07983	8.0
234.06718	1.4
235.07408	2.7
235.09627	4.2
237.09030	3.3
239.06995	0.7
239.10498	0.7
249.07285	5.9
251.07033	1.0
257.08011	12.9
259.09671	0.9
263.06805	1.3
263.09122	15.2
265.08481	3.7
265.10873	0.9
266.09314	1.2
267.08362	2.2
267.15793	3.7
275.09009	4.0
277.08408	2.7
278.09366	0.7
279.10028	1.0
280.06958	0.7
283.09656	0.9
283.15350	9.4
292.06921	0.7
294.08978	1.3
295.09595	1.2
297.11111	1.1
301.16263	5.5
307.09500	1.2
309.11002	2.5
323.08936	0.7
325.10623	2.5
327.12006	2.5
329.13776	2.7
337.10464	1.2
339.12192	3.3
351.12170	0.8
355.11646	6.8
357.13223	2.7
369.13165	4.8
371.14862	6.4
372.73254	0.6
379.11673	0.9
387.14258	54.4
388.14822	0.7
397.12744	5.8
415.13980	1.1
437.25031	1.3
440.35861	0.6
473.28619	2.9
491.25983	1.0
509.27209	10.6
517.18317	0.8
630.32031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	0.3
65.03932	2.0
65.14534	0.3
67.05495	3.1
69.03425	5.7
70.01908	0.3
71.01334	0.4
71.04969	0.6
73.02879	0.7
75.04466	0.6
77.03899	0.4
79.05476	7.4
81.02924	0.7
81.03400	16.2
81.07049	2.3
83.04964	0.4
83.08627	0.4
85.02888	11.4
89.03898	0.4
91.05455	5.9
92.08933	0.8
93.03367	0.4
93.07007	1.9
94.04180	1.6
94.97331	0.3
95.01301	1.7
95.04950	12.5
95.08598	0.7
97.02867	7.1
97.06487	1.5
99.04430	1.2
102.04701	0.4
103.03948	4.9
103.04741	0.6
103.05446	25.1
105.03371	90.2
105.07004	4.4
106.03686	0.5
107.04943	5.5
107.08603	0.4
108.02087	1.4
109.02866	8.4
109.06531	2.7
109.10155	0.6
110.03607	0.5
111.04420	1.9
112.61424	0.3
115.05431	6.9
117.03334	0.3
117.07003	5.6
118.04138	4.4
119.04919	4.6
119.08569	1.4
120.05695	1.3
121.06446	2.2
121.10152	0.4
121.97898	0.3
122.03601	3.7
122.98943	0.3
123.04408	8.4
123.08024	0.4
124.05220	0.7
125.05970	3.4
127.03905	2.5
128.06187	0.7
129.06966	3.3
130.04144	1.7
131.04903	46.0
131.08582	1.3
132.05650	0.6
133.02818	3.1
133.06477	5.2
133.10146	0.7
134.03651	0.4
135.04413	0.8
135.08043	2.5
135.11667	0.6
137.05956	100.0
138.06285	0.5
141.05452	3.2
141.06940	3.0
142.02528	0.4
143.04904	3.2
143.05853	0.4
144.05704	1.7
145.04955	1.2
145.06461	8.0
145.10080	0.4
146.03624	2.0
147.04390	6.8
147.08029	2.4
147.11594	0.4
148.05170	12.6
149.05974	5.0
149.09631	0.5
151.03885	85.4
151.04964	5.8
151.07538	2.0
152.04649	0.5
153.05444	3.1
153.06841	0.5
155.04872	0.4
155.05984	0.5
157.06442	2.3
159.04413	1.6
159.08008	1.3
160.05154	4.4
161.05954	6.6
162.06728	0.6
163.03912	0.6
163.07507	33.9
164.04720	0.4
165.05449	8.2
165.09055	0.7
167.06998	11.4
168.05644	0.5
169.06435	7.1
171.04384	1.8
171.06483	1.3
172.05249	1.0
173.05957	7.3
174.06697	0.7
174.29227	0.3
175.07504	13.8
176.04662	3.0
177.05424	4.8
177.09091	2.0
179.06979	4.6
179.08347	0.5
181.04926	24.3
183.04396	0.7
185.06062	0.3
185.55875	0.4
186.06694	0.6
187.07486	5.9
188.04703	1.2
188.08018	0.4
189.05563	2.4
189.06990	0.4
189.09018	2.3
190.06241	2.1
191.06996	88.2
192.07507	0.5
193.04810	0.6
193.08595	2.2
195.06485	2.1
195.08067	0.5
196.05115	0.5
197.05911	6.5
198.06775	0.6
199.07513	0.7
201.05455	0.8
201.09079	1.4
203.06979	8.0
205.06491	1.8
205.08525	8.9
206.07213	0.5
207.06503	2.1
207.08182	1.1
207.10167	0.7
209.06174	0.5
209.08076	2.7
211.07454	1.3
214.06163	1.2
215.06969	3.2
217.06540	0.8
217.08481	4.4
219.10095	1.3
221.07886	0.5
221.09750	0.4
223.07619	0.5
223.09654	1.3
224.08276	0.3
225.05569	2.7
225.07495	0.5
227.06984	0.7
227.12721	0.8
229.08568	7.2
231.06462	1.5
233.05869	0.6
233.08014	7.7
234.06667	0.5
235.07370	1.7
235.09657	4.6
237.09131	2.3
239.07007	0.8
239.10695	0.5
240.07539	0.4
241.08749	0.4
245.08020	0.7
247.09627	0.6
249.07298	7.6
250.06227	0.5
251.06956	0.8
252.07768	0.7
257.08032	14.8
259.09625	0.4
262.06223	0.6
263.06601	0.7
263.09097	11.1
264.07553	0.4
265.08484	2.7
265.10712	1.1
266.09326	0.5
267.08130	2.3
267.16000	0.5
269.08014	1.3
275.09286	2.2
277.08481	2.0
279.06586	0.5
279.10101	0.4
280.07416	0.6
281.08270	0.4
281.11560	0.4
283.09357	0.4
283.15387	1.5
292.07358	0.4
293.07761	0.5
295.09589	1.4
297.11249	0.5
299.12668	0.6
300.09875	0.6
305.07935	0.4
307.09680	1.3
309.11148	2.0
314.11267	0.4
321.11148	0.4
323.09048	0.7
323.12827	0.4
325.10532	1.6
327.12216	2.2
329.13693	1.9
337.10498	1.4
339.12238	1.5
341.13773	1.4
346.61014	0.4
351.12094	1.4
353.13727	0.6
355.11664	6.1
357.13287	1.4
359.14755	1.6
369.13248	4.1
371.14880	4.5
379.11591	1.6
387.14297	40.9
388.14566	0.4
397.12704	5.6
415.13849	1.3
447.70557	0.3
460.64569	0.4
509.27264	1.3
517.18365	1.7
549.21155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	1.8
67.70679	0.1
69.03409	16.1
71.01325	0.2
71.04965	0.9
73.02891	0.6
74.06054	0.1
79.05467	6.4
81.03391	9.0
83.04952	3.4
85.02880	14.8
87.04458	1.0
91.03927	0.5
95.04943	5.1
97.02250	0.2
97.02859	4.7
99.04433	3.1
103.03895	0.7
103.10762	0.1
105.03362	100.0
106.03690	0.5
109.02851	6.2
111.04409	2.8
116.98588	0.3
117.05461	0.5
123.04391	15.6
127.03887	5.2
129.05434	3.8
135.06462	0.5
137.05959	0.2
145.04930	1.1
147.04384	0.1
147.06471	2.0
153.07570	0.6
165.05446	0.5
165.07521	1.8
165.75903	0.1
183.08598	8.5
231.06448	1.6
239.04300	0.3
244.05887	1.2
249.07510	7.1
253.06567	0.2
267.08551	27.2
302.79474	0.1
390.21347	0.2
413.14279	0.2
431.15176	0.2
449.16583	0.2
453.63080	0.2
468.13715	1.8
468.63907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	22.8
67.05484	23.0
69.07047	4.6
69.36996	4.4
71.08612	28.4
79.05463	9.8
81.03397	100.0
81.07030	18.6
83.08604	23.4
85.02898	32.5
85.10155	16.6
91.03936	17.6
91.05471	9.6
92.08674	5.0
92.09171	15.0
93.07034	6.8
95.04953	35.4
95.08572	27.4
97.02872	9.5
97.10159	6.5
105.07057	5.4
109.02795	4.4
109.10097	10.7
119.08566	21.9
123.86419	4.4
129.06993	6.5
145.04990	6.5
147.07983	5.1
173.32283	4.9
175.11130	8.0
193.12199	31.3
267.15826	88.0
278.35938	4.8
313.27316	89.0
505.38977	90.1
547.39948	6.7
728.70618	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	866.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18074	0.7
61.02906	5.2
63.48349	0.7
67.05492	15.1
69.03065	1.2
69.03412	20.9
69.07048	22.7
71.04974	4.6
71.82764	0.7
73.02897	1.8
75.77420	1.0
79.05462	6.9
79.57347	0.8
81.03397	17.3
81.07032	20.2
83.01319	1.1
83.08601	6.4
85.02884	23.5
87.04451	1.0
91.05441	5.8
92.08667	2.8
92.09298	3.4
93.07020	9.4
95.08578	25.2
97.02866	54.9
97.10130	1.2
99.04437	7.7
105.07011	8.7
107.08572	14.5
109.02859	11.9
109.09386	1.2
109.10133	28.7
109.10847	1.2
117.06996	1.1
119.08538	16.1
121.10105	11.9
123.11673	8.0
127.03882	13.1
129.06975	1.5
131.08543	9.4
133.10098	11.2
135.11684	5.2
137.13268	4.1
141.06917	1.4
142.07742	1.6
143.08560	7.1
145.04939	14.3
145.10071	12.2
147.11633	8.5
149.13260	4.4
155.08513	5.7
156.09334	4.1
157.10078	13.1
159.11642	9.7
161.13229	4.8
163.14778	1.4
169.10066	9.7
170.10849	1.2
171.11623	15.3
173.13171	10.3
175.14792	4.9
181.10085	1.4
183.11667	10.5
185.13229	10.0
187.06015	1.5
187.14809	8.6
189.16348	1.1
195.11665	3.6
197.13199	9.1
198.13992	1.3
199.14761	4.4
201.16371	3.5
203.17870	2.0
205.07068	4.7
209.13226	4.8
210.14005	1.6
211.14777	5.5
213.16353	5.1
215.17889	1.3
224.15584	3.2
225.16246	6.0
227.17889	4.9
229.14407	1.0
237.16319	1.4
239.17831	14.7
241.19432	3.3
242.96468	1.2
253.19472	4.8
255.21057	4.6
257.19037	3.9
267.20917	4.2
269.23032	1.2
271.20511	1.3
281.22601	2.0
293.22516	1.6
295.24194	2.0
309.25629	1.0
323.27087	4.6
335.26974	1.2
362.29694	1.0
385.19879	0.9
405.29715	1.7
405.35031	42.8
423.36169	15.7
525.90479	1.1
627.42389	100.0
628.42499	1.5
675.34930	1.1
813.10675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	3.0
61.97855	1.7
67.05144	3.8
67.05495	100.0
69.07052	12.5
73.02867	2.9
79.05477	43.2
81.03407	8.9
81.07040	53.8
83.04961	10.6
83.08624	14.4
85.02889	11.4
85.06535	2.6
86.09692	3.5
91.05470	24.9
92.09182	3.1
93.07022	42.6
95.04925	2.9
95.08580	37.9
97.02869	2.1
97.06507	3.0
97.10162	9.2
98.75922	2.1
105.07007	20.3
107.04938	2.9
107.08596	23.4
109.10144	62.3
111.08049	2.0
117.06982	4.5
119.08531	14.6
121.10136	16.8
125.09612	3.5
131.08562	9.3
133.10109	4.7
135.11656	13.6
145.10121	8.3
147.11722	2.5
149.13261	4.9
173.11627	12.9
173.13120	2.8
184.07314	4.9
200.08266	2.0
209.11691	4.2
229.14313	30.8
246.84756	2.3
249.26752	2.0
261.22104	10.8
301.16367	9.6
335.25766	58.0
415.94174	2.3
473.56592	2.0
477.35629	3.2
489.35864	19.5
557.96906	2.3
561.37787	4.4
864.50421	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.4
63.31681	0.5
67.05495	6.1
69.03407	3.0
69.07060	2.6
71.04985	0.7
73.02906	3.6
79.05473	6.2
81.03401	2.3
81.07023	6.1
83.04958	1.0
85.02892	4.9
91.03947	2.1
91.05451	4.0
93.07005	5.1
95.04977	1.4
95.08605	3.2
97.02865	5.3
99.04432	0.8
101.02375	0.9
105.07034	3.2
106.98592	0.5
107.08595	3.0
109.06513	0.7
110.71410	0.5
112.08406	0.5
119.08583	1.2
121.10126	1.0
127.03876	1.0
129.06975	0.7
131.08517	1.0
133.10104	1.1
135.11700	0.8
136.06194	3.8
165.21451	0.6
168.64426	0.5
184.07335	0.8
243.08461	3.1
291.65344	0.6
300.09409	0.5
333.20364	3.7
388.02612	0.6
389.23099	0.7
439.19467	2.4
453.21304	2.2
551.28156	12.6
860.47394	2.0
861.49493	100.0
862.49744	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	861.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59807	0.8
61.02913	5.0
67.05498	7.5
69.03419	1.5
69.07067	1.5
73.02908	5.0
79.05488	5.1
81.03416	1.6
81.07027	7.1
83.08614	0.8
85.02905	4.4
91.03909	1.5
91.05473	1.9
92.08920	5.0
93.07042	5.0
95.08598	4.8
97.02904	4.8
105.48238	1.0
107.08619	1.5
109.06523	1.4
109.10177	1.7
113.42216	0.9
116.26147	0.9
121.08702	1.0
127.03923	1.2
133.83578	0.9
149.13322	1.3
185.04228	1.2
243.08337	2.0
264.83011	0.9
298.82101	1.0
365.23099	5.1
373.10751	1.2
519.29279	6.0
536.52686	1.2
583.31128	5.3
861.53156	100.0
862.53308	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	861.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	5.4
64.92858	0.6
67.05505	7.0
69.03423	3.4
69.07067	3.5
71.04963	1.0
73.02914	5.5
76.13475	0.5
79.05465	6.6
81.03407	3.0
81.07034	7.8
83.08610	0.6
85.02901	3.9
85.06525	0.7
88.26723	0.5
91.03960	3.0
91.05470	5.8
92.08639	1.5
92.09248	2.7
93.07026	7.4
95.04954	2.9
95.08595	4.1
97.02901	3.4
97.06507	0.7
99.04472	0.8
101.02382	2.7
105.07034	4.0
107.08611	3.4
109.02881	0.5
109.06501	1.0
109.10182	0.8
117.07040	1.0
119.08617	2.8
121.06438	0.6
121.10168	1.5
123.08048	0.8
127.03944	0.8
131.08537	0.9
133.10126	1.1
135.11742	2.4
136.06169	6.3
159.74852	0.5
184.07310	1.1
243.08441	3.6
333.20395	3.8
389.22897	0.9
394.54868	0.6
439.19385	1.5
453.20862	3.0
551.28094	13.3
759.39233	0.6
825.23328	0.6
860.47955	1.1
861.49487	100.0
862.49060	4.5
872.30164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	10.9
67.05491	12.1
69.03421	2.4
69.07049	2.4
73.02905	6.3
79.05471	5.7
81.03426	1.8
81.07040	10.1
85.02908	9.7
91.03941	2.1
91.05464	1.4
92.08897	9.1
92.09402	1.3
93.07014	3.5
95.08571	2.2
97.02858	10.2
100.76717	1.3
101.02364	2.5
107.08568	1.6
109.10128	3.1
119.08569	1.4
121.10159	1.7
173.11703	1.8
195.09862	2.2
231.14677	1.4
243.08363	2.6
248.89821	1.3
265.11163	1.5
301.08917	2.7
409.57010	1.7
413.17758	8.7
519.29089	14.3
578.30121	2.1
589.61414	1.5
691.40173	100.0
754.39789	2.0
861.50153	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	859.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.8
62.63107	1.3
67.05501	8.4
69.03415	2.5
69.07046	3.2
73.02911	3.6
79.05476	6.8
81.07053	9.9
85.02905	3.0
91.05466	8.6
92.09105	8.1
93.07060	4.1
95.04961	3.7
95.08620	7.6
97.02879	6.5
101.07211	1.7
103.64484	1.9
105.07024	2.8
107.08604	6.8
121.10194	2.0
123.39956	1.6
133.10149	4.0
177.76529	1.8
184.07439	1.9
243.08348	3.1
268.34000	2.0
269.48254	2.0
275.47177	1.7
331.18738	2.2
335.46906	1.9
337.68195	1.7
395.50180	1.8
549.27344	2.0
551.28296	7.0
841.46808	6.7
842.66284	2.3
859.47913	100.0
860.48712	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	859.4803
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02916	4.3
67.05484	8.7
69.03421	4.5
69.07054	4.5
71.04981	0.8
73.02924	2.7
78.92273	0.8
79.05477	7.1
81.03404	2.8
81.07050	8.5
83.04957	0.7
83.08595	0.6
85.02901	5.0
88.29567	0.6
91.03961	3.0
91.05486	3.6
91.39369	0.7
92.08722	1.2
92.09279	1.4
93.07012	6.4
95.04976	3.2
95.08591	2.5
97.02888	3.7
97.06499	0.6
97.10159	1.5
99.69319	0.6
101.02383	0.9
105.07027	3.7
107.04932	1.1
107.08599	3.8
109.06504	1.0
109.10154	1.5
117.07030	0.8
119.08566	2.3
121.10159	0.9
125.09609	0.9
131.08603	0.8
133.10175	3.0
134.96753	0.6
135.11673	0.7
141.06956	0.6
147.11665	1.1
217.64340	0.6
223.13258	0.9
243.08412	4.4
273.18307	0.9
291.19598	2.6
330.86493	0.7
331.18500	0.9
333.20383	2.7
335.26041	1.3
407.42996	0.8
439.19391	1.3
453.21368	0.8
453.96335	0.7
549.26831	6.7
551.28094	7.1
597.24591	0.8
715.94482	0.7
762.96429	0.8
859.47900	100.0
860.48309	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	859.4808
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02920	5.2
62.35572	0.8
65.86200	0.8
66.61907	0.8
66.74274	0.8
67.05506	5.7
69.03433	1.8
69.07056	4.2
73.02911	3.8
79.05483	4.6
81.03416	1.9
81.07050	7.1
83.71685	1.0
85.02911	4.8
87.18441	1.0
91.03957	1.5
91.05477	4.9
92.08806	1.1
93.07041	4.8
95.04980	1.4
95.08591	3.7
97.02900	4.4
105.07027	4.9
107.04935	1.4
107.08570	4.4
108.99900	1.0
109.06490	1.1
109.10176	1.2
119.08598	4.1
133.10124	4.0
185.04233	1.2
209.19687	1.0
243.08472	3.6
313.17850	1.3
321.79288	1.0
331.18820	1.8
333.20471	1.3
334.28912	1.0
350.15741	1.1
544.74585	1.0
549.26978	1.7
551.28394	7.6
841.46832	5.4
859.48016	100.0
860.48517	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	859.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	3.7
67.05487	9.0
69.03414	3.7
69.07064	3.3
73.02891	3.1
79.05482	8.0
81.03412	2.9
81.07037	10.1
83.04952	0.9
83.08607	1.2
85.02901	3.6
90.48920	0.5
91.03961	1.3
91.05444	6.5
93.07018	8.6
95.04929	2.0
95.08598	4.1
97.02891	3.9
97.06525	1.0
97.10167	0.8
101.02383	0.7
103.03854	0.7
105.07009	4.8
107.08578	4.7
109.02854	0.8
109.10149	3.0
111.04382	0.6
111.34951	0.6
117.06994	1.2
119.08580	4.1
121.10125	2.7
122.38512	0.6
123.08025	0.8
125.09659	0.6
129.07037	0.8
131.08574	2.5
133.10072	4.5
135.08044	0.8
135.11668	1.5
145.10107	1.0
147.11714	1.0
149.13274	0.8
157.10130	0.9
161.13202	0.7
162.31415	0.6
169.10181	0.7
184.07347	1.1
223.13385	1.1
241.07451	0.7
243.08290	6.4
291.19553	2.7
331.18726	0.8
333.20407	0.8
335.25818	0.8
367.65942	0.6
369.49957	0.7
387.21307	0.9
453.21323	2.6
517.38861	1.3
530.72125	0.7
549.26550	5.8
551.28278	4.8
859.47937	100.0
860.48163	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	858.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	10.5
65.03927	1.1
67.05492	24.1
69.03416	36.9
69.07053	1.0
71.01337	0.8
71.04978	13.2
73.02898	4.2
75.41124	0.5
76.27419	0.5
79.05466	4.2
81.03402	11.3
81.07031	3.4
83.04958	3.2
85.02888	100.0
85.06525	12.6
87.04446	7.7
91.03922	4.9
91.05454	4.1
92.08940	1.0
92.25450	0.5
92.42321	0.6
93.07027	3.1
95.04948	51.3
95.08588	2.1
97.02873	29.3
97.06506	5.8
99.04433	6.2
101.02374	0.8
101.06015	0.9
105.03352	4.7
105.07031	3.4
106.99126	0.5
107.04953	1.1
107.08595	2.2
109.02863	11.5
109.06496	1.0
109.10165	0.9
111.04424	4.9
113.05988	91.5
115.03953	0.6
117.07015	0.9
119.04932	0.7
119.08569	1.2
121.06483	1.0
121.10161	0.6
123.04407	2.0
127.03897	21.1
131.08507	0.7
133.10133	2.3
135.04431	0.6
135.11729	0.7
137.05974	3.9
137.09747	0.6
143.08549	0.9
145.04935	25.5
145.06720	0.6
145.08583	19.1
145.10106	2.2
147.04356	0.9
147.07999	0.7
147.11700	0.8
151.03952	0.5
151.07550	0.7
155.08505	0.6
157.10063	0.7
161.05948	0.8
163.03931	0.7
163.05997	9.1
163.07396	0.8
167.07013	7.4
173.05952	0.9
175.14798	2.0
177.05421	0.8
179.07033	0.7
181.04956	2.6
189.07623	2.9
231.08328	0.6
239.09184	2.4
257.10159	5.0
257.40149	0.6
275.11118	4.0
289.09253	1.2
325.11215	13.0
345.04846	0.6
355.22607	2.8
373.23651	45.7
387.14349	0.9
417.15204	4.0
515.23633	0.6
857.38538	0.7
858.37500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	7.2
65.03930	2.3
67.05490	22.1
69.03413	30.3
69.07044	1.8
71.01324	0.3
71.04974	13.4
73.02898	2.7
79.05468	5.6
81.03403	8.6
81.07043	7.3
83.01317	0.4
83.04980	2.7
83.08607	0.7
85.02888	77.5
85.06526	12.5
87.04458	6.0
91.03947	3.4
91.05442	3.3
92.08701	1.6
92.09341	1.6
93.07028	5.1
95.04945	48.9
95.08595	3.7
97.02871	22.8
97.03383	0.3
97.06499	7.8
99.04435	3.4
101.06004	0.7
103.03918	0.6
103.05428	0.3
105.03376	0.7
105.07015	5.3
107.04932	0.7
107.08578	4.5
109.02863	8.4
109.06513	2.6
109.10158	1.9
111.04417	2.1
111.08028	0.4
113.05987	100.0
114.06358	0.6
115.03983	0.6
117.07030	1.3
119.08553	4.1
121.06467	1.4
121.10116	3.5
123.04421	0.8
123.08054	0.5
125.05955	7.2
127.03892	18.5
127.07522	0.5
129.06987	0.6
131.04878	0.8
131.08543	4.2
133.06459	0.8
133.10120	4.6
135.04337	0.4
135.11664	2.2
136.06160	0.4
137.05989	1.7
139.03839	0.6
142.07751	0.4
143.08537	1.8
145.04936	17.9
145.08585	13.9
145.10104	2.9
147.04399	0.7
147.08052	0.7
147.11687	3.0
149.05948	0.7
149.13223	0.7
151.07576	0.4
151.11151	0.4
153.05441	9.4
155.07016	4.3
155.08502	1.4
157.10123	2.0
159.07999	0.4
159.11665	5.7
161.05928	0.6
161.09561	0.4
161.13248	2.5
162.07649	0.4
163.03915	0.4
163.06017	4.4
163.07397	0.7
167.07053	3.3
168.10324	0.3
169.10098	1.7
171.11676	1.4
173.06004	0.5
173.13249	1.7
175.07515	0.7
175.14775	4.7
177.05351	0.5
177.09155	0.6
179.07018	0.7
181.04955	1.5
181.08546	0.8
181.10030	0.6
183.11707	1.6
185.09624	0.3
185.13202	2.5
187.14754	0.6
189.07564	2.9
189.16403	1.4
191.07030	1.2
193.10226	0.4
195.11641	1.6
199.14798	2.3
201.12863	0.6
201.16368	5.6
203.10542	0.4
203.18011	0.5
209.13245	0.7
211.14795	0.5
213.16397	0.6
215.17947	0.8
217.12233	0.8
221.08023	0.5
223.14828	0.4
229.12215	0.6
235.14790	1.3
239.09157	1.3
241.11992	0.5
243.13713	0.5
251.17934	0.6
253.86404	0.3
255.13768	0.5
257.10101	3.8
257.15295	0.5
273.20969	0.3
275.11218	2.3
277.19424	1.4
281.22232	0.4
291.20984	2.0
309.22070	1.9
319.20480	1.6
325.11197	6.6
337.21573	11.1
355.22592	17.2
357.13269	0.4
359.14789	1.7
373.23642	74.1
374.24100	0.4
431.98029	0.4
485.28812	0.6
517.31537	15.5
565.20245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.5
65.04187	0.3
67.05473	2.1
69.03394	1.6
71.04971	0.5
75.04452	0.3
75.50617	0.3
77.03875	0.4
78.04680	1.6
79.05479	5.2
81.03394	5.9
81.07021	1.8
83.04949	1.4
85.02887	2.8
89.03865	0.5
91.05457	11.1
92.09223	1.7
93.03367	2.1
93.07022	3.0
94.04193	0.4
95.01299	0.5
95.04945	6.2
95.08584	0.7
97.02876	0.4
97.06501	1.4
101.34429	0.3
103.05455	6.2
104.66156	0.4
105.03357	2.0
105.04488	0.6
105.07010	4.7
106.04171	5.6
106.77027	0.3
107.04936	9.2
107.08540	0.8
109.02869	0.5
109.06504	1.3
109.10126	0.7
110.03618	0.6
111.04415	2.5
115.05423	4.7
117.03345	0.5
117.06993	7.8
118.04116	1.5
119.04942	3.7
119.05651	0.4
119.08564	0.7
120.05669	0.4
121.06476	7.7
121.10144	0.6
122.03623	0.7
123.04403	7.0
123.07988	0.5
124.05186	2.7
125.05956	3.9
126.67303	0.3
127.05395	0.4
128.06146	0.6
129.06973	2.1
130.04095	0.4
130.07802	0.4
131.04897	7.1
131.08521	1.5
132.05624	0.5
133.01907	0.5
133.02829	8.2
133.06462	3.6
133.10091	0.6
134.03600	1.5
135.04378	2.2
135.08005	1.2
136.05110	0.4
136.62935	0.4
137.04977	0.6
137.05959	10.9
138.03113	0.4
139.07513	1.3
140.04637	1.3
141.06964	0.4
143.04889	1.2
144.05667	0.6
145.02768	0.6
145.06470	14.7
145.10133	0.5
147.04395	4.4
147.08008	1.8
147.11699	0.4
148.05202	3.3
149.05956	11.0
149.09572	0.5
150.06749	0.4
151.03867	3.2
151.07515	6.4
152.04723	2.6
153.05458	4.0
153.09148	0.8
154.06163	0.5
155.05978	2.3
155.07089	0.7
156.05684	0.5
157.06448	0.7
157.10132	0.4
158.07237	0.5
159.08018	2.4
160.05165	3.3
161.05939	5.6
161.09604	0.4
162.06725	0.5
163.03923	2.7
163.07507	6.4
164.04619	0.4
165.05443	5.0
165.06752	0.5
165.09044	0.7
166.06187	1.4
167.06998	100.0
168.07375	0.6
169.06424	0.3
171.04349	0.7
171.06477	2.2
172.05246	0.5
173.05945	21.9
174.06877	0.4
175.03894	0.5
175.07492	6.2
176.04631	0.5
176.08240	0.4
177.05437	5.5
177.09042	1.2
179.07051	3.1
179.08382	0.5
180.07735	0.6
181.04918	36.2
181.08392	2.4
182.05328	0.4
183.06456	0.7
185.06003	0.4
187.07483	2.3
188.08287	2.2
189.05362	1.6
189.09105	1.5
190.06195	4.3
191.06976	13.7
191.08627	0.5
193.05006	0.4
193.08539	1.7
193.12120	0.6
195.06506	0.5
195.08043	0.5
198.06741	1.3
201.05431	1.8
201.09036	0.5
202.06171	0.6
203.06996	7.2
205.08562	8.5
206.07387	0.4
207.06505	1.7
209.08035	7.2
209.11568	0.4
213.05458	0.3
215.06903	0.5
216.07741	0.6
217.08502	4.2
219.06430	0.7
219.08273	0.5
219.10043	1.1
220.07260	1.5
221.07948	0.6
223.07516	0.8
225.07367	0.7
225.09306	0.5
226.06241	0.4
229.08519	0.8
233.07983	5.1
235.07538	0.6
235.09549	4.0
236.08195	0.5
239.06831	0.5
241.08553	1.5
247.09544	3.5
252.07736	0.6
253.08563	0.5
255.10103	0.8
259.09656	0.7
263.06711	0.7
263.09097	0.6
264.07858	0.6
265.08490	0.8
266.08975	0.4
267.10046	0.4
277.10901	0.4
278.09222	0.4
279.10089	0.5
283.09491	0.7
289.08276	0.4
291.09940	0.4
293.07855	0.5
294.08496	0.5
295.09671	0.7
297.11096	0.7
299.09088	0.5
307.09192	0.6
307.12186	0.5
309.10913	0.5
313.10864	0.4
315.08633	0.5
322.08109	0.5
325.10687	1.4
327.12057	2.2
329.10107	2.5
339.12210	1.5
357.13251	13.1
359.14822	1.8
371.15057	0.4
381.13071	0.4
385.12784	3.6
387.14313	4.1
397.12805	0.4
415.13748	1.8
416.14554	10.9
417.15363	34.5
418.15604	0.8
443.16574	0.6
524.61951	0.4
535.19250	0.5
565.20569	38.6
566.21222	0.8
577.21002	0.6
589.76544	0.3
595.21625	6.7
607.21136	0.4
643.23022	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	1.5
67.05494	100.0
69.03428	4.8
69.07056	30.4
71.04974	11.7
79.05475	65.7
81.03384	3.8
81.07038	92.0
83.04956	6.3
83.08604	15.8
85.02870	3.6
85.06517	2.5
91.05463	51.1
92.08844	7.4
92.09373	2.4
92.20802	1.6
93.07024	70.9
95.04943	9.8
95.08581	59.8
97.06489	7.0
97.10136	3.7
99.08133	1.8
105.07008	36.9
107.04948	2.1
107.08576	36.4
109.06469	6.6
109.10136	36.6
111.08063	2.6
117.06992	17.5
119.08544	23.0
121.10118	29.3
123.08027	2.1
123.11664	8.4
125.09598	3.3
129.06958	6.2
131.08559	24.8
133.10107	24.7
133.32805	1.4
135.08040	3.0
135.11693	17.7
137.09589	3.2
143.08540	3.7
145.10106	17.4
147.11659	13.6
149.09592	6.7
149.13303	11.7
157.10109	2.7
159.11644	12.9
161.13216	6.7
161.54424	1.6
163.11127	2.0
171.11678	3.9
173.11717	3.1
173.13257	7.2
177.12910	1.8
185.13216	2.2
195.11813	1.8
195.13873	1.9
201.16411	2.7
227.12503	2.3
229.14264	11.8
233.38535	1.5
245.61308	1.6
261.22073	7.2
269.17444	7.6
275.20020	12.0
332.05569	1.5
335.25714	47.3
349.23761	12.3
413.21255	2.9
489.35562	12.5
529.38824	56.4
553.38226	1.9
569.41962	25.3
609.45135	23.1
627.45239	2.5
641.47333	6.2
673.42737	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	856.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	4.8
64.08575	0.8
65.03922	1.8
66.93082	0.9
67.05491	100.0
69.03406	4.6
69.06711	1.2
69.07054	19.1
71.04973	3.6
73.02903	1.6
73.07510	0.7
78.06467	0.7
79.05474	42.3
80.68301	0.7
81.03381	6.9
81.07037	58.6
83.04984	7.9
83.05407	1.1
83.08613	14.8
84.57251	0.8
85.02896	9.5
85.06539	1.6
87.04443	4.0
87.45975	1.0
91.03937	1.0
91.05460	29.0
92.09261	0.9
93.07019	43.0
95.04936	8.0
95.08583	39.6
97.02858	4.8
97.06527	4.8
97.10125	10.6
99.04401	1.1
99.72565	1.0
101.75201	0.9
105.07009	14.9
107.04955	1.5
107.08575	23.0
109.06523	1.9
109.10140	48.1
110.10416	1.1
111.04480	1.3
111.08080	3.4
117.07001	6.4
119.08569	15.5
121.10117	15.1
123.08044	3.1
123.11698	3.4
125.09593	6.7
129.05452	1.7
129.06981	1.2
131.08539	9.4
133.10081	6.5
135.11676	11.3
143.08594	1.1
145.10080	7.4
147.11668	4.8
149.09604	1.3
149.13228	4.8
153.12712	1.1
155.10661	1.8
155.63388	0.9
159.11702	4.5
161.13220	1.7
163.11150	4.7
163.14856	1.2
165.12776	0.8
173.11795	8.7
173.13121	1.5
187.14728	1.4
193.12173	0.9
199.13245	4.5
201.16394	1.1
203.12541	0.9
209.11636	1.4
227.12747	1.4
229.14302	23.4
229.16498	1.1
243.20964	1.8
261.22095	11.4
267.15802	0.9
289.07199	1.0
301.16467	7.9
317.24738	1.1
335.25732	52.0
335.29810	1.7
336.26257	1.2
343.31247	0.8
399.23584	8.4
477.35507	5.4
489.35541	16.2
497.40366	1.0
561.38080	5.6
579.38617	3.3
659.35101	1.2
659.45093	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	856.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	3.2
63.22438	1.4
65.03931	2.6
67.05148	3.1
67.05494	84.6
69.03413	11.1
69.07056	39.9
71.04971	3.2
79.05475	70.8
81.03391	17.8
81.07040	100.0
83.04971	17.1
83.08603	18.1
84.38084	1.5
85.02880	8.0
85.06522	2.4
91.05461	71.0
92.08983	13.3
93.07024	75.3
95.04937	24.1
95.08588	40.4
97.02872	9.7
97.06501	16.8
97.10158	11.1
99.04453	2.0
99.08067	2.3
103.05437	1.9
105.07014	58.5
107.04929	15.0
107.08581	51.3
109.06505	8.2
109.10149	15.9
111.08062	3.2
117.07001	23.6
119.08562	36.4
121.06476	7.0
121.10117	18.3
123.08041	7.5
123.11697	2.1
125.09618	7.2
129.06987	8.7
131.08549	30.1
133.10106	26.0
133.11809	1.7
135.08044	6.9
135.11679	18.8
137.09636	3.1
143.08545	7.7
145.06419	2.2
145.10100	23.9
147.11662	10.7
149.09639	13.3
149.13239	12.7
155.08525	3.7
157.10077	3.9
159.11655	18.2
161.09554	2.6
161.13216	3.8
163.11122	14.0
163.14671	1.6
169.10085	3.5
171.11661	6.8
173.09570	2.7
173.13206	3.9
177.12695	6.7
183.11649	2.6
185.13231	2.6
187.11053	3.2
189.11186	3.5
195.13777	3.4
197.13177	1.7
227.12738	7.5
247.20503	2.1
249.87335	1.8
255.15834	6.9
257.18945	7.1
269.17456	23.5
275.19986	26.0
291.19626	2.3
312.12570	1.9
331.22382	2.0
349.23651	24.4
367.24594	2.4
435.26715	2.1
449.29010	12.8
463.30490	23.6
525.35583	6.3
529.34747	7.2
543.36646	33.0
561.37537	8.1
623.42468	7.3
641.43909	2.4
764.46436	1.9
856.46234	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02895	2.4
62.56199	1.6
64.33835	1.6
65.03922	2.2
67.05492	98.3
69.03426	13.2
69.03730	1.4
69.06720	2.1
69.07057	48.9
70.48935	1.6
71.04964	10.1
75.78949	1.4
77.61220	1.6
79.05474	80.6
81.03401	17.9
81.07039	100.0
83.04964	20.4
83.08601	25.5
85.02886	7.2
85.06519	4.0
87.98548	1.8
91.05456	80.1
92.08793	8.5
93.07021	81.2
95.04948	18.2
95.08582	49.6
97.02852	4.1
97.06503	19.1
97.10129	18.3
99.08060	3.8
103.05426	2.4
105.07011	66.8
107.04929	14.2
107.08575	56.8
109.06508	10.4
109.10148	20.2
111.08054	3.8
115.05457	6.1
117.06984	29.1
119.08561	45.9
121.06487	11.9
121.10098	24.6
123.04385	1.7
123.08044	6.5
123.11699	4.1
125.09631	16.7
125.10429	1.9
127.03899	3.2
128.06204	2.3
129.06981	11.9
130.07816	2.0
131.08548	35.9
133.10103	34.5
135.08008	7.5
135.11652	14.1
141.06969	3.3
142.58611	1.7
143.08536	10.8
145.06395	2.4
145.10132	27.7
147.07980	3.4
147.11652	14.6
149.09593	18.6
149.13220	12.8
151.11147	1.8
155.08548	9.1
157.10085	10.5
159.11659	20.0
161.13231	2.3
163.11166	12.5
167.08603	2.2
169.10036	3.1
171.11707	3.7
173.13200	9.8
173.52422	1.8
177.12732	3.1
183.11629	3.5
185.13304	3.1
189.11211	7.7
195.13704	3.3
197.13257	8.1
199.14842	2.6
227.12781	17.4
229.14236	1.9
239.17960	2.5
255.15851	9.1
257.18921	7.0
269.17523	19.4
273.18536	2.0
275.20041	35.8
293.21103	2.7
349.23651	39.4
365.84015	1.9
423.44379	2.2
431.28287	2.5
449.29242	12.5
463.30243	11.1
519.33148	2.1
525.35571	3.1
529.35083	6.9
543.36792	39.1
561.37994	2.6
623.42645	10.8
641.43628	2.5
871.44434	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	95.2
67.05491	88.8
67.29555	2.8
69.03419	12.6
69.07045	18.0
73.02882	27.5
77.90276	2.7
79.05032	5.5
79.05466	53.0
81.03409	6.0
81.07037	97.4
81.07477	5.7
83.08611	12.5
85.02882	92.7
91.03934	79.0
91.05468	18.4
93.07024	71.1
95.04974	4.0
95.08579	79.0
97.02864	48.5
97.06529	3.1
99.04372	3.3
105.07012	26.0
107.08577	44.5
109.02866	5.0
109.10146	43.2
115.03909	3.8
117.06944	5.7
119.08524	23.2
121.10133	38.0
123.11691	17.8
127.03869	27.7
131.08517	26.6
133.10065	24.3
135.11673	31.6
137.13245	4.4
145.04913	36.2
145.10066	21.5
147.11688	17.7
149.13246	22.3
157.10124	3.4
159.11674	21.0
161.13248	12.0
163.05980	55.9
163.14825	17.1
173.13237	14.5
187.14769	12.3
198.76053	3.3
201.88779	3.0
212.65547	3.6
243.20978	29.9
253.81502	2.9
261.22046	100.0
335.25739	38.3
353.26736	79.1
414.41476	3.4
479.29453	3.5
497.30490	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	856.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	95.2
67.05491	88.8
67.29555	2.8
69.03419	12.6
69.07045	18.0
73.02882	27.5
77.90276	2.7
79.05032	5.5
79.05466	53.0
81.03409	6.0
81.07037	97.4
81.07477	5.7
83.08611	12.5
85.02882	92.7
91.03934	79.0
91.05468	18.4
93.07024	71.1
95.04974	4.0
95.08579	79.0
97.02864	48.5
97.06529	3.1
99.04372	3.3
105.07012	26.0
107.08577	44.5
109.02866	5.0
109.10146	43.2
115.03909	3.8
117.06944	5.7
119.08524	23.2
121.10133	38.0
123.11691	17.8
127.03869	27.7
131.08517	26.6
133.10065	24.3
135.11673	31.6
137.13245	4.4
145.04913	36.2
145.10066	21.5
147.11688	17.7
149.13246	22.3
157.10124	3.4
159.11674	21.0
161.13248	12.0
163.05980	55.9
163.14825	17.1
173.13237	14.5
187.14769	12.3
198.76053	3.3
201.88779	3.0
212.65547	3.6
243.20978	29.9
253.81502	2.9
261.22046	100.0
335.25739	38.3
353.26736	79.1
414.41476	3.4
479.29453	3.5
497.30490	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	855.485
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05148	2.8
67.05489	77.5
69.03432	2.6
69.07044	15.7
69.34264	2.3
74.47461	2.3
79.05473	61.8
81.03393	12.2
81.06605	4.0
81.07043	68.1
83.04946	4.7
83.08591	11.2
84.02119	15.0
85.02875	6.2
85.06541	3.2
91.05457	35.3
92.05766	3.0
93.07015	59.4
95.01268	3.3
95.04952	24.1
95.08588	51.8
97.02866	6.4
97.06518	5.2
97.10130	6.4
98.07296	3.3
105.07021	24.2
107.04948	4.2
107.08572	28.2
109.06518	10.6
109.10121	24.4
111.04426	3.3
111.08044	4.8
117.06979	16.7
119.08559	25.5
121.06464	5.4
121.10122	25.6
123.08012	17.3
123.11661	6.4
125.09596	6.0
131.08522	12.1
133.06517	3.1
133.10100	19.4
135.08075	3.6
135.11665	14.0
137.09619	4.2
139.03836	2.7
144.04361	5.5
145.10106	11.3
146.02318	3.9
147.11635	3.5
149.13223	3.7
151.11185	4.5
159.11642	4.0
161.13214	3.1
163.11195	10.7
165.05527	3.3
172.03886	15.7
173.09567	3.6
173.13097	3.7
175.11078	3.5
182.12971	4.1
190.04990	26.5
195.55531	2.5
253.14397	3.7
256.09586	3.5
261.22031	4.4
274.10629	4.1
306.13208	4.6
318.82843	3.3
335.25729	100.0
398.17966	54.6
560.36816	5.2
658.39301	99.3
660.61871	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	854.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	2.7
65.03921	2.6
67.05490	79.9
69.03413	19.9
69.07050	54.1
71.04980	5.3
73.02888	1.7
79.05471	64.3
81.03404	11.9
81.07034	81.1
83.04958	13.6
83.08595	24.4
85.02885	2.7
85.06524	5.6
91.05459	53.3
92.08605	1.6
92.09123	6.4
93.07018	56.9
95.04941	20.0
95.08582	29.1
97.02868	13.5
97.06487	11.3
97.10140	19.4
97.48431	1.3
99.08082	1.3
105.07008	44.0
107.04951	13.7
107.07863	1.9
107.08572	39.1
109.02863	1.6
109.06493	9.2
109.10143	20.9
111.04411	1.6
111.08028	4.9
115.05469	2.3
117.07003	18.2
119.04874	1.9
119.08562	31.9
121.06493	10.6
121.10132	16.8
123.08040	6.7
123.11640	2.1
125.09615	13.1
127.03879	1.1
128.06204	2.5
129.06978	7.2
130.07741	1.8
131.08562	19.8
133.06427	4.8
133.10100	28.6
134.07207	2.1
135.08037	9.2
135.11684	11.8
137.09608	2.8
141.06924	2.2
142.07750	1.6
143.08569	9.0
145.10097	18.6
147.08037	9.5
147.11659	10.3
149.09619	9.4
149.13240	9.9
149.82170	1.2
150.41273	1.0
151.11162	7.9
157.10089	5.8
159.11705	9.7
159.36301	1.3
161.09589	5.4
161.13249	2.7
163.11116	8.4
169.10149	1.2
171.11696	4.6
173.13202	1.5
175.11099	4.7
177.12697	2.4
181.10017	1.2
189.11166	2.2
189.12772	2.1
191.14333	1.3
193.12244	1.2
195.13879	1.4
205.12253	1.5
217.12021	1.2
218.43359	1.2
223.13222	23.0
227.12721	5.9
227.18089	1.1
245.18962	1.1
249.14896	2.7
253.14348	8.7
255.15771	2.1
257.19104	1.8
269.17456	23.4
273.18497	15.8
275.19919	11.5
291.19482	100.0
293.87317	1.2
347.21994	2.2
349.23804	11.7
365.23172	36.8
367.24210	1.7
445.24615	1.1
455.70166	1.4
541.34668	4.6
545.34814	18.9
559.36200	69.8
560.36163	1.7
639.42340	19.0
657.42719	2.5
853.44531	2.0
854.45898	17.1
855.44385	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	1.4
62.08516	0.9
65.03929	1.2
67.05493	60.8
69.03420	17.5
69.07053	54.0
71.04969	4.2
72.94364	1.0
79.05477	58.5
81.03400	13.4
81.07037	60.4
83.04963	13.2
83.08607	18.8
85.02895	3.9
85.06538	2.0
91.05463	50.0
92.08989	10.2
93.07025	51.5
95.01267	1.5
95.04956	18.4
95.08589	24.6
97.02859	13.9
97.06502	11.1
97.10155	17.3
99.04446	1.9
99.08086	1.3
103.05443	1.7
105.07007	34.3
107.04937	16.8
107.08582	38.8
109.02901	1.7
109.06499	9.4
109.10137	15.6
111.04450	1.3
111.08056	5.0
112.72212	1.0
115.05424	2.0
117.07000	15.5
119.04937	2.0
119.08554	30.3
121.06492	8.1
121.10125	10.2
123.04409	1.4
123.08009	4.1
123.11662	1.9
125.09600	14.9
127.16779	0.9
129.06989	8.2
131.08553	20.2
133.06476	6.1
133.10114	16.3
134.07283	1.1
135.08012	7.5
135.11671	12.2
136.89943	1.0
137.09596	4.5
141.06949	1.7
143.08568	7.7
145.06416	2.0
145.10118	16.2
147.08049	8.0
147.11630	10.3
149.09570	7.9
149.13216	7.7
151.11180	4.3
155.08536	1.9
157.10132	5.5
159.07945	1.4
159.11678	9.5
160.81598	1.1
161.09596	4.9
161.13264	2.6
163.11104	8.9
169.10100	2.5
171.11687	4.2
173.13225	4.6
175.11139	2.2
177.12703	4.5
182.74310	1.0
183.11673	2.2
189.11229	1.4
195.13739	1.5
205.12206	1.3
216.98811	1.2
223.13258	21.6
224.69556	1.3
227.12636	9.1
239.17934	1.3
245.18871	2.0
247.20584	1.6
249.14766	3.9
253.14352	1.6
255.15904	5.2
257.18927	4.0
269.17334	11.1
270.17691	1.2
273.18469	10.8
275.19968	10.5
291.19482	100.0
331.22604	1.0
349.23737	13.4
365.23145	40.9
367.24789	1.5
461.28873	1.3
532.63080	1.2
541.34778	2.2
545.34674	15.0
559.36206	54.3
639.42365	21.7
642.11462	1.2
647.11548	1.3
657.43146	5.4
703.39935	1.4
767.10223	1.3
771.55139	1.2
854.45416	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	26.3
63.54638	1.7
64.33290	2.7
67.05144	3.7
67.05491	100.0
69.03417	2.9
69.07058	19.5
71.04980	8.9
73.02880	9.2
79.05475	37.0
79.58646	1.9
81.03387	20.3
81.06595	4.1
81.07038	77.7
82.73544	2.2
83.04957	16.1
83.08604	24.3
85.02881	32.7
87.04489	2.7
88.30676	2.0
91.03935	14.3
91.05476	31.0
92.63725	2.1
93.07012	42.2
95.04950	14.7
95.08602	24.5
97.02871	16.9
97.06517	10.4
97.10131	15.5
105.03349	2.4
105.06985	18.9
107.04969	4.2
107.08569	37.4
109.06478	4.0
109.10146	54.0
111.08047	4.6
117.06992	5.3
119.08540	12.9
121.10110	10.6
123.08022	3.0
123.11716	3.3
125.09600	11.3
127.03924	2.5
129.05487	3.3
131.08548	11.5
133.10103	10.8
135.11664	4.7
137.09567	2.9
145.04948	2.6
145.10025	4.9
149.13216	11.8
149.95764	2.4
155.10645	2.7
159.11700	8.4
163.11130	10.7
173.11681	13.8
175.34499	2.3
186.50096	2.6
193.12186	4.0
195.13782	4.3
199.13255	3.6
211.13252	3.4
227.12691	4.4
229.14281	28.6
267.15738	3.5
269.17462	26.2
301.16364	9.3
304.28445	3.1
339.09290	2.5
350.04077	2.3
373.99866	2.4
405.75378	2.2
423.27261	34.8
442.03625	2.7
477.28061	3.4
486.69156	2.3
495.29434	79.3
513.30463	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	854.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	12.9
64.04163	0.3
65.03916	0.7
67.05486	29.7
69.03408	9.0
69.07054	9.6
71.04977	7.2
73.02888	5.2
78.80362	0.3
79.05469	32.9
81.03394	100.0
81.07032	38.4
82.03744	0.5
83.04459	0.6
83.04958	24.8
83.08597	35.9
85.02882	53.5
85.06522	2.8
87.04423	0.8
91.03931	7.5
91.05452	48.7
92.09003	1.5
93.06411	0.5
93.07016	24.3
95.04938	41.8
95.08582	15.6
97.02862	12.5
97.06484	5.3
97.10140	5.8
99.04412	1.5
99.08073	2.2
103.05417	0.4
105.04479	0.6
105.07005	35.1
107.04931	10.8
107.08570	11.5
109.02860	0.5
109.06487	8.5
109.10126	4.0
111.04431	3.8
111.08060	16.1
113.05984	4.8
115.03918	0.5
115.05417	2.5
117.06999	2.4
119.04951	1.2
119.08546	31.4
121.06480	3.3
121.10104	13.8
123.04440	0.7
123.08043	5.0
123.11635	2.7
125.05955	0.4
125.09599	2.1
127.03892	2.5
127.07506	0.6
128.06168	0.6
129.06966	18.2
129.07930	0.7
131.08533	19.0
133.06448	4.7
133.10095	17.9
135.08038	0.6
135.11703	0.7
137.06030	0.4
137.09558	3.1
137.13171	0.5
142.07755	5.6
145.04965	2.3
145.06461	0.4
145.10138	2.9
147.07997	5.2
147.11658	26.0
149.09592	10.8
151.11139	0.6
155.08516	0.5
157.10092	25.5
163.05959	0.8
163.11153	1.9
165.12682	5.1
167.07024	0.4
175.09845	0.5
175.11137	26.1
193.12193	68.3
194.12450	0.4
202.41586	0.4
211.13245	68.6
213.12782	0.5
229.14360	0.5
231.81491	0.4
249.14868	0.4
267.13406	0.5
267.15833	36.8
285.16885	66.8
286.17209	0.5
319.78647	0.4
338.58411	0.4
349.21631	0.4
356.04678	0.4
367.22711	2.3
385.23611	4.0
403.24655	2.1
409.57919	0.4
429.53116	0.4
433.25766	1.9
441.26465	1.6
459.27289	34.9
477.21191	0.7
477.28342	34.6
495.29404	87.6
496.29651	1.6
621.32581	0.5
639.33148	1.8
676.78943	0.4
686.66180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68453	1.5
61.02908	10.2
67.05492	51.9
69.03414	11.6
69.07047	22.0
70.56814	2.0
71.04983	3.9
73.02873	2.3
79.05473	43.7
80.22462	1.8
80.80495	1.8
81.03400	87.7
81.07039	93.5
81.07526	3.1
83.04977	25.2
83.08599	26.8
85.02889	41.2
85.06528	4.0
91.03936	3.1
91.05460	57.4
91.06004	2.9
92.08855	2.7
92.09345	2.2
93.07021	38.2
95.04947	34.7
95.08584	25.8
97.02880	12.4
97.06521	15.6
97.07056	1.7
97.10146	4.5
99.04465	2.7
99.08079	2.5
102.25015	1.9
105.03381	19.0
105.07009	54.1
105.07655	2.7
107.04950	9.5
107.08591	21.6
109.02873	2.8
109.06517	12.6
109.10136	11.1
111.04436	3.8
111.08047	13.5
115.05466	2.2
117.07004	2.8
119.08562	47.6
121.06463	1.9
121.10124	24.3
123.04402	2.9
123.08058	10.6
123.11684	23.5
125.09607	2.4
127.03864	2.8
129.06961	14.0
131.04869	2.0
131.08540	15.4
131.21819	2.1
133.06482	3.0
133.10103	20.4
135.08116	2.6
135.11674	4.3
137.05954	8.0
137.09627	2.8
139.03912	2.2
142.07739	3.9
143.08554	2.9
145.10081	3.2
147.04413	10.7
147.08049	4.4
147.11662	69.8
147.12730	3.3
148.12021	2.6
149.09621	8.3
155.03123	2.4
157.10114	18.9
163.11118	3.8
165.12708	18.8
167.06999	9.8
175.11159	19.4
181.04977	2.9
193.12212	54.6
194.12521	2.2
207.06306	2.3
211.13281	42.5
221.11610	1.9
236.11459	2.0
267.15875	84.5
275.19986	1.9
285.16916	86.6
286.16901	2.2
320.04370	1.9
459.27237	11.9
476.27179	3.2
477.28287	36.1
493.27567	3.9
494.28195	12.0
495.29361	100.0
497.81821	2.7
530.59332	2.1
540.28540	2.1
708.53717	2.2
729.78632	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	15.8
67.05495	41.2
69.03418	8.3
69.07052	22.2
71.04986	4.3
72.70073	1.7
73.02891	3.5
79.05475	38.8
81.03403	69.1
81.07042	87.7
81.43810	1.5
83.04969	24.6
83.08607	26.4
85.02888	36.2
85.06523	7.2
91.03935	6.8
91.05460	40.7
92.09141	12.5
93.03349	1.7
93.07019	28.4
95.04950	33.0
95.08591	34.5
97.02877	13.8
97.06516	11.2
97.10158	2.0
99.08089	3.5
104.35555	1.8
105.03373	14.9
105.07011	49.9
107.04944	10.0
107.08555	20.0
109.02860	3.3
109.06498	12.7
109.10178	7.5
111.04431	3.8
111.08064	17.0
113.06015	2.1
117.07067	2.5
119.04900	2.8
119.08559	44.8
121.06514	2.0
121.10133	30.8
123.04433	2.1
123.08054	3.4
123.11688	23.1
125.49872	2.0
126.29547	1.7
127.03899	3.5
127.07547	2.4
129.06999	13.6
131.08546	13.2
133.10120	17.1
135.08026	2.6
135.11670	2.7
137.02328	2.1
137.05972	11.3
142.07761	2.7
145.10138	8.1
147.04434	3.8
147.08025	2.7
147.11667	71.7
149.09584	4.0
155.33188	1.7
157.10085	21.5
159.11646	2.0
163.03825	6.5
163.11147	4.1
165.12711	21.8
167.07027	1.8
175.11156	19.5
189.74794	1.8
193.12199	48.6
211.13258	51.3
229.14325	2.2
230.53130	1.8
267.15851	83.8
267.18631	2.8
279.08527	1.7
283.00879	1.8
283.15338	2.5
284.15726	2.6
285.16888	79.5
387.24802	2.1
425.95871	2.0
459.27200	2.0
477.28366	40.8
493.27905	2.3
495.29462	100.0
495.36768	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	854.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	26.3
63.54638	1.7
64.33290	2.7
67.05144	3.7
67.05491	100.0
69.03417	2.9
69.07058	19.5
71.04980	8.9
73.02880	9.2
79.05475	37.0
79.58646	1.9
81.03387	20.3
81.06595	4.1
81.07038	77.7
82.73544	2.2
83.04957	16.1
83.08604	24.3
85.02881	32.7
87.04489	2.7
88.30676	2.0
91.03935	14.3
91.05476	31.0
92.63725	2.1
93.07012	42.2
95.04950	14.7
95.08602	24.5
97.02871	16.9
97.06517	10.4
97.10131	15.5
105.03349	2.4
105.06985	18.9
107.04969	4.2
107.08569	37.4
109.06478	4.0
109.10146	54.0
111.08047	4.6
117.06992	5.3
119.08540	12.9
121.10110	10.6
123.08022	3.0
123.11716	3.3
125.09600	11.3
127.03924	2.5
129.05487	3.3
131.08548	11.5
133.10103	10.8
135.11664	4.7
137.09567	2.9
145.04948	2.6
145.10025	4.9
149.13216	11.8
149.95764	2.4
155.10645	2.7
159.11700	8.4
163.11130	10.7
173.11681	13.8
175.34499	2.3
186.50096	2.6
193.12186	4.0
195.13782	4.3
199.13255	3.6
211.13252	3.4
227.12691	4.4
229.14281	28.6
267.15738	3.5
269.17462	26.2
301.16364	9.3
304.28445	3.1
339.09290	2.5
350.04077	2.3
373.99866	2.4
405.75378	2.2
423.27261	34.8
442.03625	2.7
477.28061	3.4
486.69156	2.3
495.29434	79.3
513.30463	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	854.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	0.3
69.03068	0.3
69.03419	5.7
70.06583	0.2
71.01334	0.9
71.04977	2.1
71.74995	0.2
73.02911	1.4
77.03918	0.3
79.05478	3.5
81.03402	14.5
81.07053	0.2
83.04964	0.3
85.02893	7.7
89.03879	0.3
91.05424	0.2
91.07564	0.2
92.08624	0.3
92.09216	0.7
95.04960	3.5
97.02872	8.4
97.10158	0.2
99.04441	8.2
105.03378	100.0
106.03704	0.9
109.02870	10.1
111.04427	0.3
117.03335	1.5
117.05479	2.7
121.02886	0.3
123.04410	9.9
123.08026	0.2
127.03900	7.6
133.10130	0.2
135.04385	0.2
139.11142	0.2
145.02838	5.5
145.04941	1.5
145.24319	0.2
149.02335	0.8
149.05952	0.7
163.03912	0.3
165.05534	0.2
167.07025	0.8
177.05434	9.1
177.06992	0.3
195.06500	0.3
207.06499	0.8
217.08717	0.2
225.07500	0.3
228.48985	0.2
231.06494	1.2
239.09134	0.8
249.07535	29.9
265.07178	0.2
267.08597	27.0
285.09543	0.7
285.26157	0.2
315.08377	0.2
330.10754	0.2
347.11319	0.8
365.12262	1.4
383.13333	1.2
400.15918	0.2
401.15997	0.3
418.17099	0.4
423.12521	0.3
586.65106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	10.3
67.05489	15.0
69.03413	6.9
69.07061	2.0
73.02893	7.0
79.05465	3.1
81.07061	1.9
85.02910	11.7
89.88728	1.6
91.03934	4.2
91.05460	2.8
92.09082	1.7
93.07049	2.9
95.08610	2.1
97.02893	8.5
101.02371	2.5
107.08603	1.9
109.10144	7.7
119.08584	1.9
173.11633	2.6
193.85750	1.6
337.74902	1.9
342.81882	1.7
347.09583	4.3
365.10358	2.1
413.17664	12.7
434.23819	1.9
518.66095	1.8
519.29132	2.6
575.23126	10.9
681.34521	3.6
691.40234	2.8
853.45313	100.0
854.46362	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	854.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	2.1
69.03412	19.8
71.04969	1.1
73.02897	4.1
73.87592	0.1
77.03901	0.3
79.05473	6.3
80.08350	0.1
81.03394	10.2
83.04963	4.4
85.02887	16.7
87.04446	1.5
91.03931	0.9
92.64328	0.2
95.04941	4.8
95.05524	0.3
97.02863	5.2
99.04424	3.6
103.03909	1.3
105.03367	100.0
106.03698	1.2
109.02855	6.9
109.03610	0.3
110.93098	0.2
111.04417	4.8
123.04395	16.7
127.03885	7.5
129.05446	7.7
140.04652	5.0
145.04895	1.3
147.06487	4.3
155.06998	9.5
155.08261	0.3
165.05510	0.2
165.07539	3.7
171.06480	0.7
173.08113	0.3
177.05508	0.2
181.04918	11.9
181.08377	0.6
183.08600	18.4
209.08075	2.6
227.09094	16.4
231.06461	2.0
244.05939	0.2
249.07507	11.2
250.07921	0.2
259.11093	0.2
267.08560	37.1
268.08948	0.8
273.09698	0.4
395.13425	0.2
413.14233	1.1
431.15375	1.7
449.16364	2.7
468.13593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	11.7
67.05488	9.3
69.03416	6.2
73.02895	7.6
76.51687	0.6
79.05473	4.6
80.48739	0.6
81.03418	1.1
81.07037	5.5
85.02886	9.5
87.04468	0.7
91.03943	6.0
91.05466	2.9
92.09113	5.3
93.07010	5.5
94.06799	0.6
95.08597	3.9
97.02875	9.8
99.04465	1.3
101.02381	3.2
105.07026	1.3
106.76920	0.6
107.08599	2.5
108.12650	0.5
109.02860	1.0
109.10155	5.5
117.07011	0.7
119.08601	0.8
121.10152	1.3
127.03908	2.6
131.08592	0.5
133.10149	0.7
173.11703	0.7
177.64143	0.7
243.08514	1.3
322.95557	0.6
335.25842	0.8
347.09418	4.2
365.10696	1.1
405.13660	7.5
413.17661	8.2
481.60059	0.7
519.29095	8.0
575.23254	6.2
590.62195	0.6
652.68292	0.7
681.34137	8.2
691.40363	3.6
767.66144	0.7
785.94714	0.8
853.45337	100.0
854.45703	4.5
869.95837	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	7.6
65.53666	0.9
66.35179	0.9
67.05154	1.3
67.05492	32.8
69.03417	1.9
69.07050	14.3
71.01327	2.1
71.04960	4.3
71.08612	19.9
73.02892	2.1
76.56327	1.1
76.73640	1.0
79.05473	31.9
81.03389	4.6
81.07034	28.1
83.04964	8.7
83.08592	10.6
85.02887	14.7
85.06507	1.9
85.10164	11.7
86.09693	1.8
89.05994	1.2
91.03922	6.3
91.05458	8.4
92.09001	7.6
93.07023	40.5
95.04960	2.5
95.08582	16.1
97.02848	6.0
97.06485	9.7
97.10139	10.6
99.08046	1.4
105.07001	1.5
107.08566	22.4
109.10149	11.0
111.08069	1.2
117.06981	6.0
119.08562	7.0
121.06476	1.7
121.10109	6.8
123.11678	1.9
124.99972	2.1
125.09557	1.9
133.10092	2.5
135.11668	55.2
145.10075	8.1
153.12683	1.2
163.11089	8.6
181.12166	7.2
184.07307	8.1
199.13254	1.2
231.14551	1.1
234.16847	1.0
239.23630	2.1
255.15852	100.0
257.24637	1.4
313.27298	47.7
493.38736	98.5
577.13281	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	26.4
69.03398	11.5
69.06718	2.3
69.07058	40.0
71.71532	1.6
73.72404	1.7
79.05475	25.0
81.03407	3.6
81.07047	24.5
83.04965	4.3
83.08603	10.4
85.02900	2.5
91.05474	19.8
92.08849	12.8
93.07025	19.6
95.04950	9.6
95.08582	11.3
97.02863	11.4
97.06492	3.1
97.10160	14.9
105.07013	19.3
107.04940	8.7
107.08558	15.7
109.06482	2.8
109.10146	8.8
117.06985	7.9
119.08534	14.4
121.06432	2.2
121.10136	4.4
123.08060	2.0
125.09611	10.5
128.06181	2.4
129.52307	1.7
131.08530	9.2
133.06473	3.6
133.10088	4.1
135.08028	3.6
143.08511	3.1
145.10060	6.7
147.08043	10.2
147.11670	3.0
149.09618	2.7
157.10159	2.4
157.45277	1.8
159.11598	2.5
171.11536	1.9
175.11119	3.2
207.73383	1.9
223.13272	23.4
249.14799	7.4
258.11615	2.4
273.18378	20.4
291.19482	100.0
347.22015	2.3
355.34955	1.9
365.23166	53.0
396.20178	2.5
406.44528	1.9
655.41846	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	10.3
65.03923	0.8
67.05489	17.3
69.03413	5.4
69.07050	5.7
71.01340	1.5
71.04971	5.5
73.02878	2.7
79.05466	24.7
81.03394	46.1
81.07031	25.0
83.01325	5.8
83.04959	16.3
83.08598	19.0
85.02882	28.1
85.06523	1.5
86.06313	0.3
87.04424	0.6
91.03934	5.5
91.05453	24.1
93.07013	23.5
95.04942	19.5
95.08580	10.7
97.02866	8.2
97.06489	5.3
97.10147	4.4
99.04433	2.9
99.08074	0.7
103.05443	0.7
105.03351	0.7
105.07001	17.7
107.04932	10.0
107.08571	13.2
109.02860	1.6
109.06490	7.5
109.10146	3.3
111.04413	2.8
111.08062	6.6
113.06000	1.4
114.36869	0.4
115.05403	0.7
117.06986	5.0
119.04916	0.8
119.08549	16.4
120.37756	0.4
121.06464	3.3
121.10111	10.0
123.04411	0.7
123.08038	7.4
123.11673	0.6
125.05961	0.6
125.09613	2.4
127.03871	2.4
129.06964	7.9
130.07750	0.5
131.08540	7.5
133.06499	2.0
133.10101	6.6
135.06415	0.4
135.08040	0.9
135.11674	7.6
137.09628	1.8
139.07521	0.6
142.07796	1.9
143.08537	1.5
145.04968	1.6
145.06464	0.8
145.10091	9.8
147.08040	3.0
147.11656	9.7
149.06003	0.5
149.09595	4.5
153.12747	2.2
155.08484	0.6
157.10074	9.0
163.05940	1.4
163.11139	17.5
165.12721	1.8
173.09593	2.1
175.11137	9.3
181.12209	2.4
191.10710	1.8
193.12195	25.5
209.11656	2.7
211.13245	23.5
227.12796	1.8
267.15833	5.3
267.70938	0.4
283.15317	34.3
285.16876	20.4
285.20029	0.5
344.61255	0.3
357.14023	0.4
359.91409	0.4
382.23676	0.5
383.22220	1.5
407.24265	0.4
457.25629	4.0
472.85175	0.4
475.20132	0.7
475.26813	17.0
493.27850	100.0
494.28265	2.3
633.33282	0.4
637.31946	0.5
697.77130	0.4
748.51788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	2.0
65.03904	0.3
69.03412	20.6
69.19521	0.2
71.01326	0.3
71.04969	1.5
73.02890	0.5
79.05467	6.2
81.03396	9.3
81.49552	0.2
83.04964	4.9
85.02885	17.9
85.18123	0.2
85.60643	0.2
87.04451	1.6
91.03923	0.5
91.05467	1.3
95.04941	4.7
97.02865	5.3
99.04431	3.0
101.05966	0.2
103.03912	1.2
105.03371	100.0
106.03719	1.3
109.02857	6.1
109.10150	0.3
111.04424	4.4
119.04917	2.2
119.08555	0.3
123.04400	16.3
123.11684	2.6
125.05993	0.3
127.03896	6.2
129.05444	6.8
145.04901	1.0
147.04442	1.8
147.06491	4.2
147.11673	0.3
159.60303	0.2
165.05455	0.2
165.07542	3.1
175.03864	3.9
183.08597	16.3
192.04158	1.0
197.36086	0.3
207.06496	8.3
207.13725	0.6
225.07497	4.6
225.14827	0.3
231.06505	1.2
249.07521	7.6
267.08563	28.8
268.08865	0.3
295.99960	0.2
413.14166	1.2
431.15524	1.6
449.16312	3.1
475.11203	0.2
585.13531	0.2
885.96136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	9.2
65.03915	0.4
67.05138	0.7
67.05492	19.5
69.03418	3.9
69.07054	5.6
71.01339	1.5
71.04978	4.7
73.02908	3.5
79.05004	0.3
79.05476	23.4
81.03402	42.6
81.07040	23.8
81.07771	0.4
83.01325	6.0
83.04968	16.0
83.08113	0.6
83.08605	18.0
85.02892	28.7
85.06528	2.1
87.04464	0.7
91.03944	5.5
91.05463	22.4
92.08986	2.4
93.07023	22.2
95.04944	19.9
95.08585	8.9
97.02876	10.7
97.06528	5.6
97.10135	4.4
99.04451	2.3
99.08080	1.5
101.61468	0.3
103.05474	0.6
105.03377	0.8
105.07017	18.2
107.04942	9.0
107.08581	12.4
109.02864	1.8
109.06505	7.3
109.10152	3.0
111.04449	3.8
111.08060	7.2
113.05973	1.2
115.05444	0.6
117.05406	0.4
117.06999	6.8
119.04897	0.5
119.08562	17.8
121.06509	3.7
121.10119	9.9
123.08064	7.5
123.11687	0.8
125.05961	1.7
125.09610	2.0
127.03899	2.5
127.07474	0.4
129.06982	7.6
130.07776	0.8
131.08560	9.0
133.06482	2.2
133.10104	7.7
135.08025	2.0
135.11661	9.0
137.05945	0.8
137.09573	2.7
139.07626	0.5
142.07776	1.8
143.08563	1.3
145.04973	1.4
145.06415	0.4
145.08986	0.4
145.10117	12.1
147.08023	3.9
147.11659	8.5
149.09608	4.7
151.11162	0.4
153.12743	2.0
155.08511	0.5
157.10106	9.2
161.09570	0.4
163.03903	0.5
163.05978	1.3
163.11148	17.7
165.12766	1.8
173.09610	2.3
175.11137	8.7
181.10722	0.3
181.12100	2.3
191.10713	1.8
193.12218	23.9
209.11765	3.4
211.13260	22.6
222.49409	0.3
227.12776	1.8
241.15471	0.4
267.15900	6.4
283.15350	32.7
284.15756	0.4
285.16895	20.2
383.22177	1.3
401.23459	0.6
442.64615	0.4
457.25726	4.4
475.26837	16.3
493.27875	100.0
494.28140	2.2
680.42889	0.4
735.97552	0.4
838.72211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12878	4.2
61.02902	9.6
67.01840	4.4
67.05482	30.3
69.03400	10.8
69.07049	25.4
71.04979	4.6
71.08601	22.4
79.05490	7.1
79.88952	4.2
81.03393	70.0
81.07020	36.5
83.08595	21.0
85.02871	20.4
85.10142	9.2
86.09674	5.2
93.07018	6.9
95.08592	53.7
97.02860	51.6
97.10140	6.0
99.04433	19.4
107.08633	7.8
109.02858	90.4
109.10138	49.6
117.05470	94.2
119.08567	4.9
123.11627	6.3
127.03896	52.2
159.06512	49.1
169.04863	5.7
183.17256	4.8
183.42215	4.5
184.07246	8.7
187.06047	16.7
189.16393	11.0
211.20517	20.7
229.21628	21.4
238.20241	4.7
247.08002	6.6
263.95435	5.8
339.67334	4.6
341.22797	6.5
358.46393	5.1
408.75211	5.5
411.38223	100.0
551.42664	8.5
683.24353	5.2
754.22943	5.4
761.70795	5.3
776.15857	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	852.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	1.7
65.03934	0.2
65.49856	0.2
68.65778	0.2
69.03414	22.6
71.04966	1.1
73.02904	1.1
73.26907	0.2
76.00520	0.2
77.03902	0.3
79.05473	7.1
81.03398	10.6
81.07023	0.3
81.50091	0.2
83.04517	0.3
83.04967	4.9
85.02888	18.9
86.51629	0.2
86.88010	0.2
87.04443	1.7
91.03938	0.4
91.05463	0.8
92.09142	0.3
92.20461	0.2
95.04951	4.2
97.02875	4.9
99.04426	3.6
103.03915	1.2
105.03371	100.0
106.03706	0.7
109.02856	7.2
109.10158	0.3
111.04427	4.9
117.05474	0.2
119.04905	1.8
123.04398	18.4
123.11672	2.1
127.03889	5.9
129.05453	7.6
141.05394	0.2
145.04948	0.9
147.04411	1.9
147.06505	4.5
149.09610	0.2
165.05467	0.3
165.07549	3.1
175.03856	3.6
183.08607	19.5
192.04160	0.9
207.06496	7.5
207.13815	0.8
225.07513	4.0
225.09500	0.3
225.14859	0.8
231.06396	2.1
249.07524	8.7
267.08572	35.0
268.08945	0.4
269.58563	0.2
273.09610	0.2
413.14337	1.4
431.15240	1.8
449.16513	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	850.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	7.5
64.81958	1.1
65.03922	1.7
65.58066	1.2
67.05491	37.8
69.03404	5.7
69.07068	11.4
71.04979	2.2
79.04998	1.8
79.05473	54.3
80.66875	1.1
81.03398	46.3
81.07038	39.9
83.04980	16.3
83.08604	22.0
83.80120	1.3
85.02898	21.2
85.06528	2.8
91.03944	3.0
91.05461	52.1
91.06004	2.1
93.07025	46.9
95.04951	30.7
95.08593	23.2
96.74094	1.3
97.02869	7.4
97.06498	7.5
97.10155	5.6
99.04484	1.3
105.03404	2.9
105.06365	1.9
105.07016	36.8
107.04945	8.8
107.08578	14.9
109.06489	11.1
109.10143	5.7
111.04430	1.6
111.08070	7.9
115.05358	1.0
117.06997	7.4
119.04896	1.6
119.08564	28.6
121.06514	1.7
121.10117	7.9
123.04424	1.2
123.08038	6.5
125.09637	1.5
128.06232	1.4
129.06981	20.4
129.42708	1.3
131.08522	10.9
133.06441	1.8
133.10106	14.5
135.43854	1.5
137.06000	1.5
137.09560	2.1
142.07819	2.1
143.08540	6.0
145.10091	9.0
147.07988	4.8
147.11674	30.4
148.64697	1.3
149.09607	4.7
155.08601	1.8
157.10104	11.4
159.11703	1.8
161.09576	2.0
161.13245	4.5
165.12730	1.4
171.11649	13.1
175.11159	10.0
189.12721	5.0
193.12207	27.2
207.13756	9.8
211.13263	21.1
221.19116	1.4
233.87183	1.3
267.15894	22.0
281.17468	24.2
284.48560	1.2
285.16928	21.0
294.32672	1.2
473.28894	100.0
474.29587	1.7
491.29999	61.4
502.63098	1.5
508.32153	1.8
509.32584	1.6
546.91974	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	9.8
62.31580	1.4
67.05494	56.6
69.03397	7.1
69.07051	15.7
71.04978	6.2
73.02872	3.0
79.05476	84.3
81.02936	2.5
81.03400	67.2
81.07040	59.1
81.07402	1.2
83.04969	24.8
83.08606	19.6
85.02889	25.4
85.06554	2.9
87.04436	1.7
88.94847	1.3
90.25700	1.4
91.03932	6.9
91.05464	78.6
92.09212	1.9
93.07024	77.2
95.04948	42.5
95.08576	35.5
97.02871	9.0
97.06501	9.7
97.10138	3.8
99.08076	1.9
105.03345	7.3
105.07013	58.1
107.04942	11.9
107.08566	21.0
109.06501	9.3
109.10149	6.8
111.08060	8.0
117.07005	9.7
119.08559	42.3
121.06488	3.2
121.10110	9.7
123.08042	7.3
123.11668	2.4
127.07562	1.7
127.96352	1.6
128.06139	2.1
129.06973	25.7
131.08517	15.8
133.06487	3.5
133.10120	22.6
143.08524	11.3
145.10092	15.3
147.08034	6.2
147.11665	42.1
149.09618	6.8
155.87556	1.7
157.10101	13.3
161.09598	2.4
161.13226	13.1
163.03906	1.7
163.11235	2.4
165.12746	1.9
168.06407	1.6
171.11649	26.2
175.11179	14.0
189.12761	6.6
193.12209	27.8
207.13797	17.2
211.13240	24.9
267.15903	30.2
281.17407	73.1
285.16888	21.1
473.28909	100.0
485.58276	2.0
491.29962	90.7
492.30249	2.2
635.34241	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	850.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04976	2.9
59.94444	0.5
61.02912	10.3
67.05492	12.7
69.03398	3.5
69.07062	5.4
71.01341	0.6
71.04961	4.2
73.02892	3.3
79.05471	20.6
81.03391	12.7
81.07037	18.3
83.01321	9.9
83.04961	14.2
83.08608	12.6
85.02419	0.9
85.02887	15.9
85.06519	1.3
86.94569	0.6
91.03931	6.6
91.05457	13.7
92.09101	0.8
93.07014	26.5
95.04942	8.9
95.08582	7.5
97.02882	8.4
97.06496	5.0
97.10136	2.0
99.04435	4.4
99.08085	0.6
105.03378	3.8
105.07006	11.2
107.04919	8.2
107.08572	14.2
109.02853	1.2
109.06496	8.5
109.10138	2.4
111.04413	2.3
111.08061	1.1
117.06992	7.2
119.08557	10.7
121.06491	3.9
121.10124	8.8
123.04355	1.1
123.08041	9.5
125.05975	2.6
127.03889	3.0
129.07019	1.3
130.07759	2.3
131.08568	4.6
133.10066	2.5
135.08015	3.0
135.11662	13.2
137.05981	1.1
137.09576	2.2
139.07458	0.6
143.08502	1.0
145.02950	0.5
145.04890	1.3
145.10092	18.4
147.04398	1.3
147.08018	1.3
147.11665	0.9
149.05951	0.7
149.09547	0.8
153.12674	4.0
155.08510	2.1
161.09558	0.5
163.03856	0.7
163.05984	0.8
163.11134	30.2
165.09090	0.9
167.06958	0.9
173.09602	2.9
178.33984	0.5
180.02972	0.5
181.12274	4.3
191.10628	3.3
209.11682	6.4
227.12704	2.5
231.77985	0.6
250.06732	0.5
267.08374	0.5
283.15338	100.0
284.16037	0.7
377.19360	0.6
491.26251	66.1
492.26395	1.2
653.32532	0.6
653.43524	0.6
777.70483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	13.1
67.05479	13.9
68.24110	1.3
69.07059	2.1
71.04996	1.8
73.02910	3.5
79.05487	7.9
81.07030	13.0
83.05002	1.6
85.02892	13.0
91.03915	2.4
91.05481	6.7
92.08808	10.2
93.07035	8.6
95.08602	3.9
97.02862	7.1
101.02341	2.7
105.07043	3.8
107.08557	2.4
109.02898	1.7
109.10155	9.7
112.14053	1.9
115.98396	1.8
119.08533	2.0
131.08578	1.8
156.13237	1.8
184.07243	2.4
243.08327	3.7
261.22189	2.4
335.25821	2.3
519.28998	10.8
693.54242	1.8
831.40948	8.6
849.42145	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	850.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	0.8
60.04512	1.8
61.02598	0.5
61.02912	16.2
69.03413	54.1
70.06571	0.5
71.01335	5.8
71.04977	1.9
71.74412	0.5
72.04498	0.6
73.02895	100.0
75.04458	0.5
76.56684	0.4
79.05471	4.4
80.04993	0.5
81.03397	7.2
84.04494	0.6
85.02885	94.8
87.04449	11.4
91.03930	4.7
91.05447	0.6
92.09169	0.5
96.04473	1.0
97.02863	89.5
98.06026	1.7
99.04440	4.2
103.03893	1.0
105.03372	9.7
109.02857	6.9
111.04390	0.4
115.03904	62.3
123.04391	14.5
126.05502	1.1
127.03884	23.6
132.06551	2.5
133.04941	19.4
138.05478	0.5
139.03885	0.7
144.06502	8.1
145.04935	34.6
147.04385	0.6
150.07574	4.4
156.06467	0.6
162.07570	6.2
163.05969	10.3
169.04863	0.5
180.08601	4.8
193.04871	1.0
199.05983	0.7
219.06454	3.9
223.05943	4.2
240.75174	0.4
241.07008	8.1
249.07378	1.7
255.08568	0.8
259.08066	9.9
267.08572	2.1
276.10501	0.7
285.06622	0.7
285.09613	17.4
294.11719	6.4
295.10165	20.1
312.12933	4.5
322.83661	0.4
339.80481	0.4
413.84784	0.5
434.16428	8.9
649.22992	0.6
745.27228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	9.2
63.75449	1.2
67.05186	1.5
67.05487	12.3
67.97849	1.4
69.03419	3.0
73.02912	6.8
77.86226	1.3
79.05467	2.8
81.03435	2.0
81.07049	9.1
85.02918	7.8
91.03947	2.0
91.05476	3.1
92.08569	2.8
92.09197	7.4
93.07044	8.8
95.08590	8.4
97.02898	8.0
98.77230	1.6
101.02366	2.3
105.07011	2.7
107.08578	2.9
109.10170	6.5
119.08616	2.4
121.10145	2.4
131.08589	1.8
135.11684	3.1
184.07393	1.5
275.20099	2.0
381.90604	1.5
519.29333	8.1
777.57379	1.9
831.40741	9.5
849.42102	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	848.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	3.6
61.02911	12.2
65.03912	0.9
67.05489	100.0
69.03394	2.2
69.07046	8.3
71.04977	4.4
73.02899	5.0
79.05469	22.6
81.03383	0.7
81.07034	41.0
82.60593	0.8
83.08603	10.5
84.54665	0.8
85.02886	14.0
85.06529	3.7
88.37376	0.6
91.03928	9.5
91.05465	13.8
92.08671	2.5
92.09301	3.0
93.07019	28.7
95.04939	2.7
95.08585	28.8
97.02862	6.9
97.06529	1.0
99.04379	0.9
105.04504	0.6
105.07011	10.1
107.08570	16.0
109.06499	1.2
109.10139	73.6
111.08070	3.5
117.06994	3.8
119.08549	12.1
121.10136	12.4
123.11693	3.1
125.09604	0.9
127.03889	2.8
127.11195	0.7
131.08562	5.7
133.10115	5.4
135.11662	6.1
137.09589	3.1
145.04936	3.0
145.10086	5.6
147.11652	5.6
149.13223	5.2
155.10629	1.5
159.11661	4.5
161.13264	3.2
163.05946	1.3
163.14786	1.4
169.66251	0.7
173.11734	18.8
173.13199	3.0
184.07318	0.9
187.14868	2.8
227.12717	2.8
229.14307	54.1
243.20975	3.3
261.22073	12.6
291.23474	0.7
317.24643	1.6
335.25711	43.4
336.26132	0.7
388.23706	0.8
397.31360	0.8
465.28815	0.8
471.34152	1.0
489.35648	47.9
490.35953	1.0
507.36566	5.3
672.91486	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	3.8
61.02916	13.3
65.03918	0.9
65.48039	0.6
67.05489	100.0
67.21294	0.5
68.05822	0.6
69.03404	2.3
69.07048	8.4
71.04971	3.7
73.02901	5.1
73.03253	0.5
75.20464	0.6
79.05473	20.9
79.05943	0.7
81.03396	1.5
81.07034	38.9
83.04955	1.3
83.08601	8.3
85.02881	15.4
85.06516	3.7
91.03935	8.7
91.05457	14.4
92.08740	4.1
92.09375	1.5
93.07020	28.0
95.04927	3.1
95.08003	1.2
95.08579	27.5
97.02860	8.0
97.06517	0.6
97.10129	1.3
99.04440	0.9
99.08077	0.7
105.06989	7.3
107.08568	16.8
109.02815	1.0
109.06507	1.1
109.10138	82.3
111.08048	2.4
116.98167	0.7
117.06992	1.4
119.08549	13.9
121.10131	9.9
123.08067	0.7
123.11688	3.7
125.09585	1.2
127.03888	2.3
129.06949	0.7
131.08524	5.4
133.10104	6.2
135.11644	7.0
137.09584	4.2
143.08536	0.7
145.04916	3.1
145.10088	5.6
147.11670	3.7
149.09729	0.6
149.13268	4.9
155.10635	2.6
159.11684	2.6
161.13211	2.2
163.05992	3.2
163.11063	0.8
163.14784	1.3
173.11731	17.8
173.13208	3.1
187.14702	1.1
227.12688	3.3
229.14297	62.2
243.21022	3.5
261.22104	14.2
266.17181	0.6
281.17401	0.7
323.99451	0.7
335.25720	46.3
336.26077	0.9
471.34000	0.8
489.35669	35.3
507.36459	6.5
576.55530	0.7
591.11346	0.7
633.39038	1.0
708.14337	0.7
848.50677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	5.8
67.05493	5.9
69.03428	3.2
69.07065	2.1
71.04985	0.5
72.71564	0.5
73.02898	4.5
79.05476	4.5
81.03427	1.0
81.07036	6.6
83.08624	0.7
85.02887	5.9
88.82366	0.4
91.03954	3.2
91.05460	3.5
92.08826	3.9
93.07023	4.8
95.04970	0.5
95.08576	5.1
97.02866	4.5
97.10150	0.5
99.04436	0.7
101.02391	1.1
105.07044	2.9
107.05021	0.5
107.08598	2.6
109.10146	2.4
111.57817	0.5
117.07050	0.7
119.08577	1.9
121.10181	0.9
123.11702	0.7
127.03938	1.0
131.08554	0.6
133.10147	1.1
135.11687	0.7
145.10130	0.5
147.11728	0.8
149.13364	0.5
184.07422	0.6
243.08289	1.2
296.71481	0.5
351.21536	3.0
519.29071	5.9
569.29242	5.1
587.46375	0.6
847.51624	100.0
848.51636	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	848.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41251	0.2
61.02903	2.8
64.30238	0.3
67.05491	0.2
68.99767	1.4
69.03413	19.6
71.04996	2.6
73.02896	4.0
76.64339	0.3
77.03880	0.6
79.05478	4.2
81.03396	29.7
81.07000	0.3
82.03718	0.3
83.01333	0.3
83.04945	0.3
85.02887	40.8
87.00811	16.0
87.04417	0.3
91.03931	1.3
92.08961	1.8
93.07008	0.3
94.30027	0.2
95.04946	4.5
97.02863	23.8
98.06052	0.4
99.03836	0.5
99.04430	9.3
101.02371	0.4
103.29555	0.3
105.01876	11.8
105.03370	100.0
105.07004	0.6
106.03711	0.6
107.04928	0.4
108.04459	4.0
109.02859	23.7
109.10143	0.3
110.03194	0.3
115.03914	0.5
117.01842	2.6
117.06967	0.3
123.04401	9.5
126.05476	2.2
127.03888	33.5
129.01799	2.0
135.04390	0.5
137.06007	1.1
144.06561	0.3
145.04933	13.2
147.02870	1.3
159.02858	10.7
161.08086	0.3
165.09087	0.5
189.03961	0.5
189.09064	2.7
207.10168	1.4
213.03947	1.3
216.72963	0.3
230.06595	1.0
231.04895	9.1
231.06821	0.4
231.10159	1.7
233.62544	0.3
248.07585	3.0
249.07574	30.0
250.07967	0.3
255.10152	0.5
266.08640	1.7
267.08569	25.1
273.11200	1.5
377.12271	1.0
426.17386	0.3
430.16879	4.5
436.15897	0.5
544.31311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	0.5
67.05490	5.4
69.03413	7.8
69.07044	1.7
71.04971	0.7
79.05473	8.4
81.03398	16.2
81.07034	10.1
84.04482	0.4
85.02889	9.6
91.05460	4.9
92.08884	2.0
93.07031	6.4
95.04951	7.2
95.08582	11.0
97.02865	10.3
97.06496	0.3
97.10146	0.3
99.04424	1.8
105.03371	100.0
105.07006	12.0
106.03730	0.6
107.04939	0.5
107.08571	9.7
109.02865	9.3
109.10140	9.5
116.75038	0.3
119.04874	0.3
119.08561	8.0
121.02797	0.3
121.10118	5.1
123.04404	9.7
123.08101	0.4
123.11704	0.7
127.03903	6.6
131.08490	0.5
133.10101	5.0
134.83533	0.3
135.11674	1.9
137.05942	0.5
145.04930	1.7
145.10126	1.3
145.89868	0.3
147.04378	0.7
147.11661	9.1
159.11673	0.4
161.13197	2.7
162.09309	0.3
163.14813	1.3
167.07002	0.4
171.11703	0.4
173.13223	0.5
175.14751	0.6
198.70547	0.3
203.17923	9.5
221.19012	0.5
231.06523	1.4
249.07532	19.8
267.08575	19.9
299.05484	1.7
303.00586	0.4
325.03146	0.4
422.56628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.5
67.05494	7.5
69.03428	4.6
69.07064	1.8
72.46641	0.7
73.02910	4.4
79.05475	5.3
81.03423	4.9
81.07034	6.9
85.02898	6.3
86.09713	0.9
91.03938	1.8
91.05455	1.8
92.09176	2.3
93.07048	4.8
95.08597	6.4
97.02868	3.6
99.04457	1.0
101.02345	1.5
105.07046	3.6
107.08572	2.7
109.06577	0.9
109.10188	1.4
119.08591	1.9
121.10157	1.6
131.08600	1.3
135.11684	1.0
147.11674	1.0
184.07391	1.8
243.08417	1.6
301.08548	1.0
313.27487	3.5
347.13422	0.8
351.21509	4.2
369.15176	0.9
463.20395	1.0
519.29181	5.9
569.29419	7.1
847.51617	100.0
848.52057	3.6
870.73602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	4.6
67.05497	13.1
67.35680	1.8
69.03422	2.8
69.07072	2.7
73.02904	7.8
75.11440	1.7
79.05461	7.7
81.07050	3.2
83.08630	2.4
85.02890	3.5
86.09691	14.6
91.03938	2.5
91.05469	3.6
92.08818	7.3
93.07030	8.8
95.08614	4.5
97.02867	4.3
102.83262	1.9
105.07038	2.3
107.08559	3.7
109.10152	3.8
121.10084	3.4
124.99953	3.2
147.04681	2.0
184.07297	27.1
195.38747	2.0
314.45108	2.2
316.60870	2.0
349.19913	10.3
398.73010	2.1
519.29126	4.2
720.87677	2.1
741.03992	2.1
845.49945	100.0
846.51294	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	846.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57104	0.4
64.86256	0.4
65.03951	0.4
65.45229	0.3
67.05489	0.4
69.03410	4.8
71.04974	0.7
73.78764	0.3
76.56731	0.5
77.03908	0.5
79.05473	4.2
81.03397	14.1
85.02897	4.8
85.85555	0.4
89.03893	6.4
91.05450	0.7
92.08675	0.4
92.09174	2.2
93.06995	0.5
95.04948	7.1
97.02861	10.1
99.04437	1.0
105.03371	100.0
107.04928	2.4
109.02869	7.4
117.03351	9.6
123.04380	6.7
127.03869	6.0
135.03355	0.9
135.04390	26.3
145.02829	19.3
145.03819	0.5
145.04980	1.5
163.03871	98.6
164.04219	0.5
201.05435	0.5
220.06802	0.5
247.05797	0.6
249.07515	23.6
249.18974	0.5
267.08578	14.9
274.27374	0.7
339.77325	0.5
383.11179	1.8
429.11530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
63.10286	1.2
66.28352	1.5
67.05489	3.5
79.05486	2.2
81.07066	1.8
85.02876	2.7
86.09719	1.8
91.05464	2.0
92.08783	12.9
92.09400	4.2
93.07033	1.9
95.08598	2.6
105.07076	1.5
107.08587	1.3
109.10162	2.1
119.08612	2.6
133.10036	1.9
184.07327	3.7
297.26001	1.6
301.08685	1.7
334.21524	2.0
337.96524	1.6
402.53125	1.6
432.94940	2.0
466.07068	1.8
568.88843	2.0
759.41962	3.0
845.48120	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	845.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
82.16002	1.6
86.09693	3.0
88.85966	1.9
92.09097	7.8
102.21510	1.6
122.76885	1.9
125.00095	3.1
138.44382	1.9
184.07378	9.6
322.12927	2.0
338.34836	2.1
376.00006	2.1
389.41150	2.0
845.48010	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	845.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	4.6
67.05497	13.1
67.35680	1.8
69.03422	2.8
69.07072	2.7
73.02904	7.8
75.11440	1.7
79.05461	7.7
81.07050	3.2
83.08630	2.4
85.02890	3.5
86.09691	14.6
91.03938	2.5
91.05469	3.6
92.08818	7.3
93.07030	8.8
95.08614	4.5
97.02867	4.3
102.83262	1.9
105.07038	2.3
107.08559	3.7
109.10152	3.8
121.10084	3.4
124.99953	3.2
147.04681	2.0
184.07297	27.1
195.38747	2.0
314.45108	2.2
316.60870	2.0
349.19913	10.3
398.73010	2.1
519.29126	4.2
720.87677	2.1
741.03992	2.1
845.49945	100.0
846.51294	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	844.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	2.6
61.02903	6.4
64.90019	1.3
65.03898	2.4
67.05491	84.7
69.03405	3.4
69.07051	22.0
71.04956	1.7
73.02898	1.6
73.03583	1.3
76.57069	1.4
79.05472	55.4
81.03390	10.7
81.07037	90.4
83.04956	8.9
83.08608	15.5
85.02886	19.4
85.06483	2.1
86.09674	6.6
87.67122	1.4
91.05461	50.5
92.08989	7.1
93.07021	70.1
95.04907	10.5
95.08585	55.3
95.09193	1.8
97.02859	9.2
97.06506	2.7
97.10141	6.5
103.05447	3.2
105.06355	2.5
105.07013	38.7
107.04941	6.2
107.08576	39.8
108.00809	1.4
109.02849	12.0
109.06505	5.8
109.10148	24.2
111.00797	1.8
111.04423	6.4
111.08073	1.7
113.02349	33.2
115.03876	2.0
115.05481	2.0
117.06973	13.8
119.04919	1.9
119.08556	30.0
121.02869	2.6
121.06489	16.4
121.10134	24.4
123.04395	3.1
123.08043	3.4
123.11663	8.1
125.00002	3.3
125.02335	6.8
125.09592	1.6
127.03861	2.3
128.06209	3.1
129.06949	2.6
131.08516	15.3
133.06514	1.8
133.10104	42.5
135.04388	1.6
135.07997	5.9
135.11658	18.8
137.02293	7.7
137.05977	2.3
137.09590	3.5
139.03880	5.9
141.01807	3.2
143.08568	16.6
145.06528	1.8
145.10149	11.3
147.08058	5.3
147.11674	6.2
149.05945	1.9
149.09558	1.8
149.13231	8.6
151.07561	2.2
151.11174	13.9
155.03227	1.5
159.11636	7.5
161.09599	38.5
161.13203	5.7
163.11165	2.2
171.08002	7.7
173.09630	1.4
173.13210	2.5
179.10683	13.2
184.07291	6.6
187.14854	2.0
189.09070	28.2
199.07553	1.8
203.10597	1.6
207.10138	13.6
217.08519	11.4
221.11826	1.7
225.52452	1.5
227.12685	4.8
235.09663	17.3
243.21028	2.8
249.11072	5.2
253.10591	6.3
254.52190	1.5
256.50211	1.7
261.22089	19.0
263.09076	3.3
281.10190	2.1
295.11642	2.2
313.12729	2.6
335.25748	100.0
335.29828	3.1
336.25821	1.7
353.21207	2.0
369.15384	81.3
369.19986	3.1
387.16431	39.0
522.92120	1.7
555.32672	3.2
579.33325	3.2
597.33777	2.1
611.35455	3.5
623.93231	1.7
629.36676	34.6
647.37677	23.4
812.23260	1.9
844.48370	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	844.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	1.4
61.02912	6.6
64.90375	1.0
65.03936	2.1
67.05495	80.1
69.03417	5.1
69.07050	20.1
71.04985	1.6
73.02909	1.7
74.29398	1.0
79.05477	64.1
81.03412	7.4
81.07041	88.2
83.04967	5.9
83.08597	15.1
85.02903	16.2
85.06535	2.5
86.09702	2.4
87.04473	1.7
91.03931	1.2
91.04893	1.6
91.05463	44.8
92.09138	4.2
93.07024	79.3
94.97121	1.0
95.01326	1.3
95.04954	10.5
95.08591	54.2
97.02849	8.4
97.06541	2.4
97.10156	5.4
103.05470	1.6
105.03400	1.1
105.07016	34.4
107.04959	5.0
107.08583	31.7
109.02866	11.0
109.06523	5.4
109.10155	28.2
111.04429	4.1
111.08080	1.2
113.02353	27.3
115.03894	1.5
115.05479	1.5
117.07000	11.4
119.08577	25.7
121.02845	2.7
121.06493	14.0
121.10126	27.5
123.04426	4.1
123.08065	2.0
123.11715	6.3
125.00005	1.6
125.02336	6.4
125.09605	2.3
127.03878	2.0
128.06207	5.0
129.06987	4.3
131.08571	17.8
133.06502	2.2
133.10112	38.8
135.08067	4.3
135.11671	21.1
137.02390	7.8
137.06013	1.5
139.03902	6.3
140.53445	1.3
141.01822	4.8
143.03346	1.8
143.08539	11.3
145.06430	1.7
145.10098	13.4
147.08066	4.1
147.11694	6.9
149.09641	4.4
149.13271	7.1
151.03967	2.1
151.07603	1.2
151.11168	12.2
153.05540	1.1
153.07014	1.3
155.03349	1.7
159.11714	6.4
161.05988	1.9
161.09599	35.5
161.13237	4.3
163.11195	1.5
163.14903	2.1
165.05505	1.2
165.09035	1.3
171.08078	5.9
173.13246	6.2
175.14775	2.4
179.10625	10.9
184.07352	6.7
187.14888	1.3
189.09090	21.9
199.07597	4.8
201.09058	1.1
203.10663	2.0
207.10031	8.3
217.08595	10.4
221.11803	1.4
225.11136	2.2
227.12785	5.4
235.09613	13.2
243.21083	5.1
249.11191	5.5
253.10619	5.7
259.20566	1.9
261.22070	17.5
263.09100	1.6
281.10175	1.8
295.11618	1.8
313.12744	2.3
317.24612	4.2
335.25775	100.0
353.20926	1.8
369.15366	53.5
387.16446	34.5
387.25296	1.3
543.36591	1.4
569.34900	1.3
571.26038	1.2
579.33228	1.4
597.33484	2.6
611.35571	4.4
629.36743	49.7
647.37830	26.0
843.48370	1.9
844.50079	4.4
845.50348	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	0.8
61.02914	1.3
62.33641	0.7
65.03925	1.2
67.05492	100.0
69.03408	1.7
69.07051	25.8
71.04969	4.5
71.08617	0.8
78.97556	0.7
79.05472	56.1
81.03393	3.8
81.07037	86.3
83.04964	5.4
83.08598	14.0
85.02863	2.4
85.06524	3.5
86.09697	3.6
91.05459	41.2
92.08989	2.6
93.07023	65.2
95.04958	8.6
95.08583	55.6
97.02879	1.5
97.06507	7.2
97.10154	7.6
99.08080	1.3
105.04528	1.3
105.07012	32.5
107.04924	4.1
107.08580	39.5
109.06519	6.6
109.10139	45.3
111.08053	4.5
115.05437	0.7
115.30579	0.7
117.06997	12.4
119.08559	24.6
121.06505	2.7
121.10119	25.7
121.10977	1.2
123.08051	2.9
123.11694	7.9
124.99970	1.1
125.09613	4.8
129.06984	4.4
130.07718	0.7
131.08539	18.8
133.10110	19.2
135.08018	3.6
135.11678	14.8
137.09608	5.4
137.13231	1.1
139.11177	1.1
143.08563	3.4
145.10103	14.1
147.11674	12.3
149.09595	3.5
149.13220	7.4
151.11197	1.1
155.08507	1.1
157.10092	4.4
159.11638	10.7
161.13156	6.3
163.11165	3.2
163.14795	2.7
165.12752	0.8
169.10080	1.2
171.11589	2.7
173.11717	5.3
173.13242	4.6
175.14819	2.8
177.12607	2.4
183.11711	0.9
184.07274	6.4
185.13248	2.7
187.14751	3.5
197.13269	1.3
198.59288	0.7
199.14813	1.4
201.12857	0.7
201.16315	0.7
205.15819	1.0
213.16402	0.7
224.20047	0.8
227.12761	5.0
229.14317	20.9
229.19450	1.0
243.20914	1.3
257.18951	3.5
261.21939	8.1
269.17416	9.3
275.20023	14.3
293.21039	3.4
309.20520	4.9
318.90097	0.7
335.25726	62.5
349.23630	11.2
367.24860	8.7
449.84637	0.8
472.17920	0.7
489.35721	11.0
507.36240	1.3
529.38727	21.9
529.76068	0.7
569.41962	24.4
609.45001	23.8
610.45581	0.9
627.46143	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	842.526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	6.6
67.05486	33.3
69.03422	25.8
69.07053	41.4
71.04962	4.9
74.28184	3.2
79.05476	13.9
81.03381	18.7
81.07030	47.0
83.08588	15.9
85.02892	39.3
91.05455	18.2
93.07009	34.3
95.04958	4.6
95.08579	68.4
97.02860	63.2
99.04404	6.1
105.07003	32.4
107.08578	50.0
109.02856	16.0
109.09461	5.5
109.10137	64.6
117.07011	5.0
119.08560	71.0
121.10137	27.4
123.11673	20.2
127.03882	15.9
131.08548	27.2
133.10110	36.4
135.11668	23.2
137.13239	7.8
141.06934	3.4
143.08528	14.6
145.04915	27.4
145.10109	32.4
147.11656	35.6
149.09578	4.0
149.13234	7.1
157.10030	23.6
159.11676	39.4
161.13234	24.9
169.10037	6.6
171.11633	18.6
173.13216	13.8
174.45383	3.3
175.14743	5.4
177.16376	4.3
183.11638	5.9
185.13248	18.0
187.14815	30.4
189.16371	60.0
191.17839	4.5
197.13266	8.1
199.14766	4.8
201.16423	31.5
205.06989	15.0
205.34059	4.0
211.14748	4.8
213.16312	6.7
215.17906	8.3
217.19385	5.5
225.16350	8.3
227.17863	8.2
241.19444	4.4
245.18954	4.6
253.19458	7.4
267.20959	17.5
285.22037	7.9
295.24100	5.1
309.25644	3.8
323.26929	7.6
405.35022	100.0
423.36215	39.2
447.15823	4.5
507.29373	7.0
627.41858	14.0
756.99603	3.7
790.84265	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	841.4701
Annotation	Antibiotic L 156602
Peak:m/z	Relative Intensity
61.02905	4.4
62.71208	1.9
63.87276	2.2
67.05482	14.9
69.07056	3.3
71.01361	2.2
73.02895	4.4
79.05460	12.8
81.03407	3.3
81.07031	14.3
85.02915	2.7
88.51819	2.4
91.05457	12.7
92.09138	15.7
93.07028	13.0
95.04965	3.3
95.08583	9.7
97.02869	3.6
97.06477	2.9
105.07007	10.5
107.04976	2.7
107.08591	5.0
109.06625	2.6
117.06998	3.3
119.08572	3.5
131.08539	4.2
133.10118	5.0
185.04401	2.3
205.83868	2.6
222.43576	2.7
234.16791	2.2
313.92947	2.5
315.19284	3.1
372.16058	2.6
377.22980	2.4
406.14246	2.5
449.07510	2.4
531.26184	2.8
533.26935	5.6
599.51086	2.6
681.92279	2.6
841.46838	100.0
855.98944	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	842.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05020	0.6
61.02912	4.6
66.77934	0.6
67.05489	28.4
69.03413	17.0
69.07053	44.1
71.04962	3.4
71.08607	2.3
73.02890	1.1
77.45760	0.6
79.05471	13.9
81.03400	8.0
81.07036	55.9
83.04948	0.7
83.08599	15.1
85.02888	41.7
85.06546	0.6
87.04462	3.1
91.03957	1.0
91.05450	14.2
92.08738	0.9
92.09222	0.7
93.07018	30.1
95.04959	2.5
95.08582	75.2
97.02863	14.1
97.06488	1.2
97.10137	6.8
99.04430	3.5
101.60625	0.5
105.07011	37.1
107.08575	53.7
107.29737	0.5
109.02856	9.7
109.06496	1.5
109.10142	72.9
109.79796	0.6
111.08022	0.7
111.11684	2.4
115.05331	0.6
117.06976	6.4
119.08559	75.2
121.10118	40.1
123.08039	2.5
123.11680	24.0
127.03891	13.1
128.06152	1.0
129.06984	2.8
131.08548	20.6
133.10101	42.4
135.08038	1.2
135.11671	30.1
137.09607	2.2
137.13237	14.5
141.06950	1.1
142.07736	3.6
143.08551	14.3
144.09328	2.8
145.04976	5.3
145.10100	46.0
146.10887	1.1
147.11665	34.2
149.09641	1.3
149.13225	12.8
149.14326	0.9
151.14868	2.4
153.12714	0.6
155.08498	7.7
156.09326	3.5
157.10109	23.8
158.10893	3.1
159.11661	42.0
161.09590	1.2
161.13216	25.7
163.11125	2.1
163.14806	8.7
165.16341	1.0
168.09320	0.9
169.04897	0.6
169.10098	12.0
170.10930	3.1
171.11639	25.8
171.59383	0.6
172.12398	3.2
173.09567	0.9
173.13219	27.5
175.11191	3.4
175.14787	14.5
177.12704	0.9
177.16376	3.4
179.14233	1.1
181.10085	3.0
182.10912	1.4
183.11655	14.7
184.12395	1.1
184.57509	0.6
185.13205	18.2
187.05974	5.4
187.14783	36.9
187.92982	0.7
189.12698	1.4
189.16348	60.7
191.17899	6.8
195.11679	4.0
196.12421	1.1
197.13203	13.9
198.14009	2.2
199.14780	19.7
201.16333	31.9
203.14227	1.4
203.17918	10.7
205.07031	13.6
205.15883	2.4
205.19356	0.9
207.17398	10.0
209.13251	5.7
210.14133	2.0
211.14793	11.9
212.15498	1.0
213.16342	15.3
215.14384	1.1
215.17929	11.5
217.15822	2.8
217.19475	10.9
219.17433	4.0
223.14799	4.2
224.15607	3.6
225.16330	11.6
227.17886	18.4
229.19394	4.7
231.17442	1.1
231.21004	0.8
237.16412	4.2
238.17029	1.5
239.17896	14.4
241.19461	10.0
243.17398	1.2
243.20990	2.9
245.18939	10.9
251.17917	5.0
252.18665	1.0
253.19473	11.3
255.21045	7.1
257.19034	3.3
257.22583	4.1
259.20541	0.7
265.19443	1.4
267.20978	17.1
269.22604	3.6
271.20544	2.7
279.20990	4.3
280.21863	0.8
281.22614	8.0
283.24185	2.7
285.22067	12.7
293.22498	3.2
294.23523	0.8
295.24127	6.0
297.25732	6.5
299.23657	1.5
307.24146	1.1
309.25705	1.3
313.25238	1.2
315.26929	1.0
321.25644	2.9
323.27264	20.7
335.27292	2.9
337.28839	0.8
341.28326	6.0
349.28864	3.5
363.30298	2.4
390.32669	1.3
405.35065	100.0
406.35565	1.8
423.36136	68.9
447.27539	1.1
465.28412	16.2
503.33463	1.3
585.32300	1.3
585.41351	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	840.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	2.7
64.00832	2.9
67.05492	96.2
69.03422	24.6
69.07055	51.9
71.04971	16.0
73.02886	4.5
79.05473	100.0
81.03397	26.8
81.07041	92.2
82.11506	2.8
82.59875	3.4
83.04968	14.5
83.08595	19.7
84.84140	2.8
85.02897	5.6
85.06522	3.2
85.39714	2.6
91.05467	61.7
92.09018	31.2
93.07020	87.4
95.04931	24.1
95.08579	66.7
97.02850	4.7
97.06503	81.9
99.08073	6.9
105.07007	51.1
107.04945	6.7
107.08566	46.9
109.06499	22.4
109.10133	25.1
111.08040	3.5
115.07536	13.6
117.06977	22.0
119.08570	37.6
121.10158	26.3
123.11697	6.0
127.03850	4.2
128.06270	5.3
129.06984	15.9
131.08521	28.0
133.10092	21.8
135.08073	11.1
135.11691	13.3
143.08521	4.4
145.10092	12.3
147.11647	5.6
149.13226	14.9
155.08549	6.0
157.10150	5.2
159.11676	12.8
161.09590	6.0
171.11678	5.9
173.04367	3.9
173.13271	4.6
177.12779	4.0
183.11595	4.1
184.07306	3.6
199.14810	3.9
202.17056	3.4
217.15707	3.5
261.22031	5.6
267.15723	4.9
269.17471	12.7
272.46649	3.7
273.18439	23.1
277.09244	3.3
291.19617	13.9
319.71808	3.2
335.25665	52.0
529.39038	28.6
529.45801	3.4
625.44379	20.7
643.44763	14.0
658.77246	3.4
736.81976	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	840.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	4.0
64.14680	1.9
65.03931	3.2
67.05488	100.0
67.05849	3.2
69.03399	3.8
69.07045	41.0
71.04967	8.7
77.81612	2.1
79.05472	73.1
81.03400	4.7
81.07036	94.0
83.04943	7.9
83.08582	15.9
85.02869	5.0
85.06522	3.0
91.05460	60.0
91.94669	1.9
93.07018	70.8
95.04950	14.0
95.08578	68.3
97.06503	16.2
97.10151	5.0
105.06997	47.8
107.04934	4.0
107.08572	37.7
109.06480	4.6
109.10157	23.4
111.08041	3.6
117.06992	20.2
119.08548	37.8
121.06510	4.3
121.10110	20.0
123.08076	4.3
123.11672	3.9
125.09594	9.0
128.06174	2.7
131.08528	32.3
133.10088	21.7
135.08032	3.2
135.11650	14.6
135.88103	1.9
137.09613	4.8
141.07001	2.5
143.08565	4.8
145.10132	17.0
147.11661	17.9
149.09608	9.0
149.13179	5.0
158.71478	2.3
159.11642	11.7
161.09636	2.6
161.13304	3.7
163.11098	4.0
171.11713	3.6
173.13217	3.7
183.11659	2.7
185.13211	2.3
187.14891	2.4
209.22011	2.3
227.12836	3.1
257.19122	2.3
261.22018	3.1
275.19992	22.3
335.25766	39.4
349.23679	18.0
489.35663	8.7
529.39227	2.5
582.62134	2.4
599.42572	2.5
609.45081	28.8
668.39624	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	838.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05011	1.9
67.05140	3.7
67.05492	85.4
67.13783	2.0
69.03400	2.3
69.07047	13.5
71.04973	2.8
74.79498	2.0
79.05480	32.3
81.03403	100.0
81.07043	45.2
83.04959	9.1
83.08592	22.4
85.02902	9.4
85.06519	3.0
87.04446	3.0
91.05462	35.5
92.08961	11.8
93.07025	24.6
95.04938	33.6
95.08563	17.4
97.02902	5.7
97.06519	5.3
97.10158	21.3
99.04487	2.1
105.07030	22.5
107.04939	16.1
107.08579	11.1
107.23745	2.1
109.02946	2.1
109.06517	9.9
109.10143	55.0
111.04442	2.6
111.08068	9.9
111.85146	2.4
117.06998	5.6
119.08537	21.7
121.06452	9.7
121.10119	10.9
123.04471	3.9
123.08056	3.4
124.99113	2.9
125.09589	9.8
129.05435	2.7
129.06979	17.2
131.08560	17.0
133.10107	8.9
140.97385	2.4
142.07758	2.4
143.08559	3.4
145.06400	2.7
145.10103	9.8
147.08012	5.4
147.11707	5.5
149.09581	9.9
153.12718	3.1
157.10098	12.8
161.09631	3.6
163.11156	9.3
165.12762	3.5
173.11728	16.0
175.11180	10.7
193.12187	21.4
209.11699	3.9
211.13361	5.1
227.12755	5.1
229.14302	29.3
241.43431	2.5
267.15839	60.0
273.18323	2.6
273.45090	2.5
283.15311	4.0
301.16391	4.4
302.30466	2.6
365.21191	3.5
383.22171	3.6
399.23764	5.1
421.25702	15.6
457.46817	2.6
458.26224	5.5
459.27304	4.4
475.26785	15.0
476.27469	14.3
493.27872	9.8
591.35480	4.4
789.26477	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	838.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	16.0
63.65456	1.6
65.03926	1.8
67.05489	62.8
69.03398	3.9
69.07055	20.9
71.04964	7.1
73.02894	3.9
79.05476	45.6
81.03397	57.8
81.07037	78.6
83.04963	22.0
83.08608	29.1
85.02883	32.0
85.06506	2.4
91.03931	3.1
91.05459	42.5
92.09028	4.7
93.07022	55.9
95.04954	36.5
95.08584	21.5
97.02878	14.9
97.06491	13.1
97.10139	4.2
99.08078	3.2
105.03371	8.1
105.04448	1.9
105.07005	27.1
107.04953	7.5
107.08588	32.6
109.02834	2.3
109.06487	4.1
109.10125	9.2
111.04436	3.3
111.08064	15.4
117.06983	8.2
119.08560	24.5
121.06492	3.7
121.10103	24.1
123.04385	2.0
123.08029	3.1
123.11677	3.8
127.03895	1.9
129.06978	10.5
131.08548	19.2
133.10106	19.7
135.08002	2.8
135.11638	6.8
137.02287	3.5
137.09615	2.0
142.07765	1.8
143.08498	2.2
145.10081	3.2
146.80684	1.7
147.04396	3.0
147.08009	3.7
147.11667	17.5
149.09573	11.5
149.13264	16.9
157.10110	17.2
159.11682	8.2
163.06013	1.8
163.11134	2.2
167.06955	2.0
175.11168	11.1
177.12701	2.1
193.12209	36.6
193.51982	1.7
195.13744	6.5
211.13260	25.2
267.15897	27.4
269.17413	38.0
285.16846	18.5
293.08682	1.8
340.15610	1.8
390.64447	2.0
425.59888	2.1
430.66083	2.4
435.27176	2.3
461.28842	68.0
479.29944	100.0
501.04227	1.9
538.54462	2.0
623.34558	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	838.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	0.3
59.54996	0.2
61.02910	4.5
69.03413	18.1
71.01326	1.2
71.04970	1.6
73.02897	21.1
77.03897	0.3
79.05045	0.4
79.05470	6.0
81.03394	8.5
85.02886	30.4
86.03222	0.3
87.04449	1.9
91.03925	0.5
91.05457	28.6
92.08865	0.6
95.04948	3.4
97.02868	23.1
98.05944	0.2
99.04430	4.6
103.03937	1.2
105.03369	100.0
105.06995	2.1
106.03716	1.4
109.02853	6.7
115.03905	7.9
117.05468	2.0
117.06969	0.9
120.00258	0.2
123.04402	16.6
127.03892	12.0
129.06987	1.1
131.08543	0.4
132.06520	0.2
133.04936	6.4
133.06429	1.6
135.06480	2.4
139.03822	0.2
145.04933	8.3
145.06456	1.1
147.04405	0.4
149.06053	0.4
150.07574	0.8
153.07587	5.2
155.12512	0.2
157.06496	1.1
161.04407	0.5
162.07500	0.2
163.05980	2.0
175.07532	0.4
177.05510	0.4
181.04948	0.4
187.07582	0.5
199.05991	0.5
205.08633	1.2
212.15544	0.3
217.06984	0.4
217.08771	0.3
223.05943	0.8
231.06447	2.2
241.07034	1.2
243.08380	0.2
249.05562	0.2
249.07524	10.5
253.10663	2.2
259.08105	4.0
267.08569	41.0
268.08939	0.5
271.11807	0.9
277.09113	0.9
288.14368	0.4
295.10175	6.2
312.19131	0.3
341.74899	0.3
383.13251	0.3
401.14349	1.2
419.15518	2.8
420.18600	7.0
616.36816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15049	1.2
61.02916	17.0
67.05490	29.6
69.03424	7.8
69.07051	3.0
71.04974	5.6
72.33367	1.4
73.02899	3.1
79.05472	30.6
81.03403	100.0
81.07042	27.9
83.04963	14.5
83.08609	25.6
85.02889	36.6
91.03941	10.3
91.05454	38.7
92.08925	3.2
93.07019	23.7
94.05511	1.3
95.04951	43.4
95.08585	14.4
97.02857	12.9
97.06512	2.4
97.10149	8.5
99.04462	2.4
105.03401	1.8
105.07018	27.0
107.04938	10.5
107.08591	11.7
109.06511	8.7
109.10155	3.6
111.04465	2.3
111.08041	12.3
113.06006	2.5
115.05462	2.3
117.07011	2.5
119.04890	1.8
119.08556	25.1
121.06526	6.4
121.10139	12.4
123.04417	2.7
123.08102	3.1
125.09618	1.7
127.03934	3.0
129.06972	16.6
131.08548	16.8
133.06493	6.0
133.10092	11.8
135.08047	3.5
135.29976	1.5
137.09573	1.7
142.07814	3.3
145.04964	2.8
145.06514	6.7
145.10170	6.1
147.08031	5.8
147.11641	14.7
149.09613	6.9
157.10103	18.5
163.11166	2.7
165.12752	2.5
173.09546	1.6
175.11140	19.1
185.13254	1.5
193.12199	52.2
202.02298	1.7
211.13205	19.9
237.12854	1.5
255.13489	2.4
259.13434	1.9
267.15854	85.9
273.14883	7.6
285.16922	20.0
318.38651	1.7
325.17972	1.6
341.20810	2.3
349.21628	2.1
367.22556	6.0
378.67078	1.6
385.23526	11.0
403.24274	1.8
415.24756	2.5
427.66452	1.7
433.25845	14.0
441.25751	4.9
459.27301	69.4
477.28372	38.1
519.29443	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	836.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	18.1
65.74711	1.5
67.05495	25.2
67.59354	1.2
69.03419	9.0
69.07050	9.0
71.04978	6.1
71.30689	1.3
73.02890	6.1
79.05474	30.2
81.03399	100.0
81.07036	28.8
83.04968	13.7
83.08607	28.5
85.02898	32.7
85.06509	2.2
91.03946	8.6
91.05460	31.3
92.09058	1.4
93.07027	27.1
95.04941	33.0
95.08594	11.2
97.02862	11.8
97.06503	3.2
97.10159	2.6
105.03403	1.6
105.07012	21.3
107.04942	9.0
107.08573	14.1
109.06500	7.3
109.10152	7.1
111.04440	1.9
111.08071	11.2
117.06985	5.9
119.08552	21.9
121.06496	5.5
121.10124	12.2
123.08041	2.7
123.11676	1.7
125.09609	2.4
127.03824	1.8
129.06953	15.9
131.04846	2.4
131.08488	14.3
133.06470	3.3
133.10069	14.3
135.08051	1.4
135.11678	2.8
137.09628	3.1
142.07782	2.6
145.04955	2.3
145.06473	6.3
145.10106	6.5
147.08032	5.1
147.11632	13.5
149.09637	7.3
157.10072	14.9
163.11163	7.6
171.11588	1.9
175.11133	20.5
193.12199	39.6
195.11581	1.6
211.13226	13.8
223.28305	1.4
229.13982	1.6
249.14780	1.4
255.13794	2.6
267.15851	81.0
269.17358	2.8
273.14868	3.2
283.15381	3.1
285.16968	9.5
349.21436	1.9
367.22668	6.0
385.23441	3.2
395.33594	1.4
399.70547	1.4
433.25809	11.1
441.26730	2.4
459.27359	57.9
477.28357	52.9
501.28394	2.2
519.29657	2.6
573.29657	1.7
585.30072	2.2
824.62653	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04979	1.7
60.04507	1.7
61.02593	0.5
61.02912	15.6
69.03414	44.5
70.06587	0.3
71.01337	5.6
71.04972	1.8
72.04498	0.6
73.02896	100.0
79.05459	3.5
81.03403	7.0
84.04480	0.7
85.02885	83.8
87.04446	3.7
91.03932	4.3
91.05458	53.7
92.08705	0.8
95.04887	0.4
96.04478	2.3
97.02866	90.2
98.06039	0.5
99.04453	3.9
103.03905	1.7
105.03381	5.7
105.06996	1.4
108.04483	0.5
109.02866	7.5
115.03905	49.9
117.06921	0.5
123.04391	12.5
126.05473	1.7
127.03882	24.2
129.06973	0.4
130.59419	0.4
131.08583	0.4
132.06549	1.6
133.04945	11.5
133.06010	0.4
133.06445	0.7
144.06528	5.9
145.04935	28.6
145.06310	1.0
150.07631	3.4
156.06445	0.6
161.04361	1.5
162.07532	3.3
163.06004	9.0
171.07954	0.4
175.07463	0.5
180.08611	4.0
193.04950	0.5
205.08495	0.7
211.05904	0.6
217.08597	0.7
219.06512	3.7
223.05956	4.7
235.09578	1.3
241.07047	7.9
249.07436	0.8
253.10625	4.6
255.08301	0.5
259.08081	10.0
271.11600	1.6
276.10718	0.5
277.09055	1.6
285.09613	15.1
288.14148	0.6
294.11783	5.4
295.10190	22.4
302.12280	0.5
312.12802	4.2
337.92914	0.4
420.18558	4.8
431.59610	0.4
434.16586	8.1
585.84406	0.4
593.36157	0.4
646.23993	0.5
859.61053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	0.6
60.08153	5.9
60.76584	0.3
62.07779	0.3
63.94465	0.3
67.05499	6.5
69.07056	3.0
71.07359	4.4
74.49544	0.4
79.05466	1.5
81.07037	6.3
83.08598	1.7
84.40450	0.4
85.06509	0.4
86.09689	27.5
91.05450	0.8
93.07017	2.1
95.08581	4.1
97.06517	0.7
97.19765	0.4
104.10724	100.0
105.07001	0.7
105.11047	0.5
107.08559	1.6
109.10155	1.7
117.57183	0.4
119.08568	0.8
133.10101	0.6
146.98154	20.8
164.99188	0.5
176.99167	0.7
206.12680	0.4
281.15512	0.5
301.26752	0.4
315.19269	2.1
337.27332	5.5
342.68140	0.4
404.17093	0.5
439.21979	1.0
483.24731	35.2
542.32092	72.9
543.32227	0.7
644.91925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	2.0
59.06108	10.4
61.02912	9.9
65.03938	3.1
67.05489	27.9
69.07047	8.3
70.06580	2.3
73.02897	2.3
79.05478	29.3
81.07041	22.3
82.06582	3.5
84.04497	2.9
84.08131	9.9
85.02893	3.8
88.70090	1.8
89.69143	1.7
91.05474	22.7
92.08808	14.2
93.07027	30.4
94.06555	18.1
95.04948	2.9
95.08585	19.9
96.08115	3.7
97.02862	4.1
105.06985	14.4
107.07382	2.2
107.08549	18.9
108.08098	2.6
109.06496	2.6
109.10146	4.5
115.93865	1.6
117.06988	4.4
119.08591	10.1
121.10113	12.1
122.09674	2.8
123.11697	1.9
124.11216	4.4
127.47921	2.0
131.08560	7.8
133.10146	3.7
135.11668	3.0
136.11218	1.8
145.10123	3.9
147.11646	3.0
152.10776	1.9
159.11673	2.0
164.14302	3.7
180.13893	2.1
204.39874	2.0
220.16899	2.1
318.24530	2.9
335.25674	4.1
392.28085	2.8
652.49213	3.3
670.50323	100.0
832.55658	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	8.0
65.84410	1.3
67.05486	9.1
69.03433	1.4
71.18365	1.3
73.02879	6.0
81.03413	1.6
81.07059	2.1
85.02891	8.7
86.09696	2.1
91.03934	3.0
92.08800	4.6
92.09291	2.4
95.08613	1.5
97.02888	7.7
109.10129	8.8
113.63869	1.7
173.11635	1.9
347.09729	2.7
405.13788	6.0
413.17804	13.1
497.30899	1.8
514.47516	1.9
575.23016	10.7
582.23102	1.7
659.36255	3.0
669.42059	2.5
739.28619	1.8
831.46863	100.0
832.48309	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	830.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52353	1.0
61.86355	0.8
63.35202	1.0
65.03927	5.3
67.05480	6.0
69.03401	4.7
71.04987	1.3
72.48889	1.1
79.05470	10.2
81.03387	5.3
81.07024	7.2
83.04932	0.9
83.08587	1.1
84.37048	0.9
85.02884	4.3
85.06531	1.3
90.22730	1.0
91.05461	18.1
92.08858	6.7
93.03378	2.1
93.07034	8.7
95.04939	14.1
95.08581	4.6
96.05253	1.0
97.06486	1.2
103.05437	6.9
105.03390	8.2
105.07020	11.8
105.73764	1.0
106.04122	2.5
107.04941	17.5
107.08559	2.1
109.02860	1.2
109.06480	4.5
109.10114	1.6
110.03629	4.4
110.34280	1.0
111.04433	9.0
111.08068	1.4
115.05424	2.2
116.06316	1.0
117.06976	4.5
119.04919	8.7
119.08558	4.6
121.02844	3.9
121.06482	14.2
121.10088	1.4
122.03651	1.3
123.04401	12.9
123.08046	1.5
124.05125	1.5
125.05947	11.9
127.03892	1.0
128.06195	1.3
129.06987	11.7
131.04881	7.4
131.08533	5.3
133.02826	6.0
133.06439	5.5
133.10027	1.2
135.04358	5.3
135.08028	4.9
135.11621	1.1
137.05942	25.5
137.09541	1.3
140.04630	3.8
141.06981	1.6
143.04865	1.3
143.08534	1.2
145.04922	1.2
145.06465	4.3
145.10071	1.1
147.04387	6.3
147.08020	3.9
148.05176	2.1
149.05954	13.9
150.06544	1.1
151.03893	4.5
151.07521	23.3
152.04636	1.3
153.05444	23.1
155.07031	4.5
155.08470	1.0
157.06467	5.3
157.10043	1.7
159.08037	3.9
161.05942	14.4
161.09544	8.9
162.06764	1.4
163.03856	6.4
163.07535	7.9
163.11174	1.2
165.05437	8.0
165.06848	2.3
165.09058	6.8
166.06236	1.9
167.07008	68.0
168.07426	1.8
169.06361	1.4
169.18753	1.0
171.07942	1.3
173.05937	2.4
174.06729	6.0
175.07510	14.8
175.11127	1.0
177.05458	7.6
177.09090	9.6
178.07721	1.8
179.06947	5.3
179.08441	2.3
181.04988	12.5
181.06483	4.0
181.08534	22.3
181.10008	1.3
182.07251	2.0
183.06508	1.8
183.08020	1.3
187.07549	1.5
188.08441	1.2
189.09065	24.1
191.06970	8.0
191.08507	1.4
193.06427	1.5
193.08505	5.9
193.10124	1.9
194.07150	1.2
195.06442	1.4
195.08015	5.9
197.09604	4.0
199.07594	1.6
205.06340	1.5
207.06435	5.0
207.08089	3.7
207.10204	1.5
208.08733	2.1
209.06052	1.9
209.08035	11.7
209.09659	2.0
210.06676	1.6
211.07474	4.8
213.08977	1.5
219.08049	3.6
219.10106	4.2
220.08714	1.8
221.05952	4.2
221.09605	5.0
222.06680	2.3
223.07520	8.0
223.11076	1.7
224.08249	5.0
225.05495	2.2
225.07178	1.7
225.09210	12.3
227.06943	2.1
229.12341	1.1
230.49849	1.1
234.06738	2.3
235.07520	4.9
236.08276	1.5
237.09024	5.4
238.06195	3.7
238.09865	4.2
239.06978	4.5
239.10696	4.5
240.07719	6.8
241.08539	2.4
242.09248	1.1
247.07426	2.3
249.09045	9.9
250.09639	1.2
251.06949	5.5
251.10674	2.3
252.07777	5.7
253.08521	28.4
253.12025	5.0
254.09232	4.5
255.06450	5.2
255.10097	6.9
257.08038	1.3
257.11691	4.5
261.09137	1.3
263.07001	4.2
264.07486	2.0
265.08456	5.2
266.09299	5.6
267.06503	1.4
267.10120	7.7
268.07269	4.9
269.07986	5.8
269.11664	1.7
270.08789	8.5
277.08481	6.5
277.83884	1.1
278.09338	1.4
279.06677	1.0
279.09933	2.1
280.06979	1.8
281.08002	4.0
281.11630	6.3
282.08893	2.4
283.09567	14.4
283.13052	4.3
284.10355	4.7
285.07693	2.0
285.11099	10.6
291.09872	1.4
294.08890	1.8
295.09595	10.4
296.10266	4.3
297.08032	1.1
297.11209	9.1
298.08258	4.7
298.11768	1.9
299.09225	2.0
299.12680	5.7
300.09857	6.3
307.09702	1.5
308.10391	1.4
309.11111	9.5
310.11935	5.0
311.09302	2.2
311.12680	5.7
312.09753	2.0
313.10587	22.7
313.14282	14.8
314.11389	1.9
315.12155	4.6
317.13791	4.6
321.11325	1.9
323.09048	1.5
325.10788	1.5
326.11331	2.5
327.12173	22.1
329.10266	1.1
329.13647	8.6
331.15250	7.5
339.12201	13.9
341.13763	13.7
343.15201	5.3
344.16101	1.4
353.13739	1.7
355.15308	1.7
357.13232	100.0
358.13547	2.0
359.14835	67.6
361.16370	16.1
369.13278	13.0
371.14914	16.2
373.16321	4.8
385.16193	7.1
389.15640	4.2
392.92746	1.3
401.15948	16.4
403.17413	5.3
416.65848	1.3
489.18295	1.2
499.64832	1.3
519.19806	4.0
521.21368	1.2
531.19879	1.5
537.20984	6.1
547.28992	1.3
549.20734	1.2
567.22180	7.8
583.85773	1.4
585.22369	1.4
597.22968	1.6
611.61609	1.3
693.17535	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
63.22558	0.8
63.95282	0.7
64.33633	0.7
65.03934	7.6
67.05486	5.2
67.84920	0.7
69.03410	1.3
78.04669	1.3
79.05471	7.0
79.81454	0.8
81.03407	4.4
81.07009	5.8
83.04967	1.1
85.02893	3.4
88.53998	0.8
91.05450	14.8
92.08994	6.4
93.01777	0.8
93.03387	3.3
93.07034	7.6
95.04951	16.7
95.08570	1.8
97.02848	1.0
97.06516	1.4
99.04413	1.2
103.05463	6.9
105.03391	4.7
105.07021	8.8
106.04160	2.1
107.04937	19.2
107.08566	1.7
109.02838	1.1
109.06516	3.5
109.10147	1.6
110.03656	5.8
111.04428	10.7
115.05450	2.0
117.07022	1.9
118.04127	0.8
119.04932	8.2
119.08555	4.3
121.02878	5.9
121.03642	0.8
121.06503	12.0
122.03632	1.2
123.04391	11.4
123.08059	1.0
124.05217	2.1
125.05972	12.4
125.16029	0.8
128.06146	1.9
129.06976	10.9
131.04893	8.5
131.08563	5.6
132.05644	1.2
133.02855	5.4
133.06470	5.1
133.10098	1.7
134.03554	1.2
135.04396	5.2
135.08054	3.8
136.05138	1.6
137.05952	22.3
139.07507	1.0
140.04659	4.3
143.04890	0.9
143.08484	1.3
144.05760	0.9
145.02805	1.0
145.06441	4.0
145.10097	1.3
146.07288	0.9
146.35526	0.9
147.04343	7.1
147.08084	2.0
148.05173	3.3
149.02263	1.2
149.05952	14.0
151.03899	4.7
151.07512	20.3
153.05437	21.6
154.05728	0.9
155.07091	3.3
155.08536	0.9
157.06392	6.5
157.10065	0.9
159.08009	4.1
160.05154	1.1
161.04674	1.5
161.05948	17.3
161.09622	5.7
162.06696	1.7
163.03880	5.4
163.07489	10.5
165.05467	4.6
165.06978	3.5
165.09077	4.7
166.06288	5.8
166.07538	1.2
167.07004	73.0
168.07327	1.2
169.06439	1.5
169.10124	1.1
173.05977	1.6
173.09573	0.9
174.06720	6.1
175.07520	14.4
175.14774	1.0
177.05437	7.2
177.09079	8.5
178.07730	1.9
179.07008	4.6
179.08533	3.7
180.07767	1.5
181.05013	15.2
181.06541	3.5
181.08575	22.6
181.10115	2.0
182.07237	1.1
183.06512	1.3
187.07498	3.3
188.08209	1.2
189.05473	1.1
189.09047	20.5
191.07016	13.1
191.08569	2.1
192.07529	1.0
193.04825	1.2
193.06581	1.3
193.08591	8.4
193.10048	2.0
194.07263	1.5
195.08078	7.2
195.09825	1.1
196.08813	1.0
197.09604	3.7
198.06815	1.0
199.07507	1.2
201.09065	1.3
203.08615	1.1
203.10645	1.6
206.07214	1.5
207.06477	3.9
207.08060	3.5
207.10054	1.8
208.08791	1.7
209.06152	2.1
209.08066	9.2
209.09778	1.7
210.06682	4.0
210.15652	0.9
211.07536	5.1
211.11334	1.4
212.08298	3.7
213.09126	1.6
218.07233	1.6
219.08006	5.1
219.10133	3.1
220.08786	1.3
221.05984	3.7
221.09601	7.9
222.06731	3.7
222.10388	1.7
223.07585	8.1
223.11070	1.9
224.08321	4.6
225.05583	1.3
225.07184	1.3
225.09244	11.2
227.06998	3.4
227.10617	1.2
231.08020	0.9
234.06757	2.1
235.07562	4.8
236.08362	1.5
237.09023	6.5
238.06233	3.3
238.09814	6.0
239.06952	6.1
239.10497	2.7
240.07744	10.7
241.08565	3.7
242.09442	1.1
247.07439	1.4
248.08318	1.5
249.09070	7.3
250.06204	1.0
250.09706	1.7
251.07079	6.7
251.10574	4.5
252.07686	6.5
253.08517	24.2
253.12189	5.4
254.09239	3.9
255.06509	5.0
255.10138	7.8
256.11111	1.2
257.08023	4.1
257.11737	5.2
261.08969	1.5
262.06064	1.3
263.10605	1.3
264.07608	1.9
265.08557	8.0
265.11194	0.9
266.05878	1.1
266.09290	6.4
267.10172	9.6
267.15851	1.7
268.07196	3.7
268.10751	1.8
269.07959	6.8
269.11575	1.8
270.08826	12.1
277.08545	4.7
278.09277	1.7
279.06528	1.8
279.10132	4.1
281.08463	5.8
281.11325	6.0
282.08743	2.1
283.09604	18.3
283.13205	4.2
284.10336	4.4
285.07816	2.8
285.11163	12.3
291.10028	3.4
293.08133	1.0
293.11826	1.7
294.08789	3.4
295.09543	10.0
296.10248	1.7
297.07877	1.6
297.11032	7.2
298.08426	4.6
298.11768	2.7
299.09180	2.8
299.12717	7.4
300.09940	7.5
301.10754	1.1
307.09573	1.6
308.10226	1.3
309.11057	11.9
310.11786	3.5
311.09222	3.0
311.12692	5.0
312.09769	1.8
313.10635	28.2
313.14313	13.2
314.11554	3.0
315.12146	2.0
317.13882	1.6
321.10971	1.9
323.12878	1.5
324.18161	1.0
325.10526	1.7
326.11301	4.3
327.12207	23.4
328.12952	1.4
329.13800	7.2
331.15326	7.3
335.65604	1.0
337.10754	1.8
339.12231	12.6
340.12778	4.3
341.13779	16.1
343.15152	3.6
353.13849	3.7
355.11569	1.8
355.15506	1.4
356.12204	1.6
357.13235	100.0
358.13904	2.7
359.14807	69.4
360.15573	3.3
361.16382	14.4
368.12039	1.0
369.13138	10.9
370.61176	0.8
371.14819	20.8
373.16394	4.2
385.16235	6.1
395.14832	1.2
401.15878	19.4
403.17581	6.2
507.20209	2.0
519.20221	4.2
531.20044	1.1
537.20966	6.1
547.28448	1.6
549.20734	1.1
567.21857	6.9
572.34229	1.2
585.23767	1.0
597.23096	2.0
601.90161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	7.4
65.01992	0.4
65.74254	0.4
67.05492	6.4
69.03417	4.7
69.07066	2.3
73.02895	5.6
79.05481	5.0
81.03409	2.0
81.07035	6.1
83.08644	1.7
84.43613	0.4
85.02890	6.2
91.03940	4.3
91.05450	3.2
92.09091	1.9
93.07022	5.3
95.04979	0.5
95.08588	5.0
95.17791	0.5
97.02887	6.4
99.04410	0.6
101.02397	1.9
105.07050	2.4
107.08603	2.6
109.02911	0.6
109.10159	1.7
114.97263	0.4
119.08596	1.6
121.10166	1.7
124.99997	0.8
127.03889	0.8
131.08575	0.7
133.10135	0.6
135.11719	0.9
135.73378	0.4
145.10251	0.5
147.11710	0.8
161.13354	0.5
184.07329	3.6
185.04218	0.6
203.05441	0.5
204.24745	0.5
214.94980	0.5
243.08337	3.1
257.86694	0.4
333.20389	2.4
335.25845	0.4
389.23132	0.6
471.05963	0.5
519.29156	9.0
547.79510	0.5
551.27753	3.4
829.50586	100.0
830.51080	2.7
831.24561	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49887	0.3
61.02914	6.0
64.34405	0.3
67.05492	6.3
69.03419	4.2
69.07059	0.9
70.04127	0.4
71.01358	0.3
71.04956	0.5
71.85989	0.3
73.02901	5.1
75.04486	0.4
76.36648	0.3
79.05476	5.2
81.03410	2.1
81.07034	6.5
82.36681	0.4
85.02882	5.7
85.03302	0.4
87.04447	0.5
91.03940	3.6
91.05466	3.6
92.09128	3.3
93.07023	5.2
95.04935	0.5
95.08572	5.5
97.02872	5.3
97.06532	0.6
99.04449	0.7
101.02369	1.6
105.07018	2.5
107.08597	1.5
109.02859	0.5
109.10157	1.9
112.86893	0.4
117.07021	0.9
119.08585	1.8
121.10165	2.0
123.11732	0.4
124.99953	0.5
127.03925	1.4
131.08578	0.8
133.10182	1.6
135.11736	0.4
145.04991	0.4
145.10144	0.8
159.11760	0.5
184.07408	0.6
203.05246	0.5
243.08493	2.4
304.81802	0.4
333.20328	3.7
453.21249	0.5
482.42593	0.4
519.29187	7.3
548.62396	0.4
551.28094	3.6
829.50562	100.0
830.50885	4.8
831.03973	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	7.4
61.55738	0.8
67.05498	8.6
69.03419	4.9
69.07068	1.8
73.02903	4.8
79.05489	5.2
81.07039	8.6
83.08585	1.1
85.02892	7.5
86.09706	4.0
89.93613	1.0
91.03945	4.9
91.05470	3.7
92.08853	4.2
93.07035	5.6
95.08612	4.8
97.02888	6.3
101.02419	1.4
105.07018	1.9
107.08589	3.6
109.02865	1.4
113.26398	1.0
119.08530	1.6
121.10117	1.9
124.99984	2.3
135.11736	1.1
176.82280	1.0
184.07349	6.4
243.08476	2.2
333.20239	9.2
456.34802	1.1
519.29510	6.4
551.28046	7.5
582.83350	1.2
829.50531	100.0
830.50812	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	828.343
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	3.1
66.94774	0.6
67.05497	5.0
69.03411	3.0
69.07051	1.2
69.47494	0.6
70.26984	0.6
73.32925	0.5
77.03934	0.6
79.05472	6.8
79.40028	0.6
81.03400	5.5
81.07047	4.1
82.75245	0.6
83.08585	1.0
85.02896	4.4
85.17455	0.7
91.04940	1.1
91.05461	14.0
92.08804	2.2
93.03362	0.9
93.07016	5.7
95.04951	8.4
95.08582	1.3
97.02852	1.0
97.06516	1.5
99.04423	0.7
103.05441	9.5
105.03381	7.0
105.06996	7.3
107.04939	11.9
107.08588	3.2
109.02856	1.1
109.06512	2.7
109.10152	1.3
110.03639	1.6
111.04443	2.8
115.05431	5.6
117.06987	7.2
118.04138	0.8
119.04932	6.3
119.08556	3.8
120.05711	0.8
121.06501	5.8
121.10118	1.4
122.03722	1.1
123.04392	8.1
124.05190	3.2
125.05951	3.5
127.03915	1.1
128.06209	0.8
129.06975	1.5
130.04082	0.7
131.04907	9.0
131.08554	1.1
133.02834	12.5
133.06429	5.1
133.10170	2.4
134.03635	0.8
135.04399	2.9
135.07994	1.2
135.11713	0.9
137.05962	14.2
137.09511	0.8
139.07521	0.8
143.04924	1.2
143.08514	0.9
144.05721	2.8
145.06473	15.6
145.10114	1.4
147.04393	6.1
147.08018	1.4
148.05153	4.7
149.05937	7.0
151.03914	3.5
151.07506	9.3
152.04637	2.9
153.05461	4.7
154.06194	1.1
155.06033	1.5
157.06427	0.9
159.08031	2.4
159.11690	0.6
160.05162	2.9
161.05956	6.5
163.03871	4.2
163.07503	6.7
165.05475	7.3
165.06786	1.0
165.09082	0.8
166.06180	1.1
167.07001	100.0
168.07343	0.8
171.06464	2.3
172.05223	0.9
173.05949	20.8
174.06635	1.0
175.07529	8.2
176.04695	0.9
177.05466	3.0
177.09103	1.0
179.07011	2.7
181.04932	49.5
187.07556	3.3
188.08369	2.4
189.05409	1.0
189.09085	1.4
190.06245	4.8
191.07001	18.3
195.06454	0.8
201.05367	1.4
201.09096	0.9
203.07002	9.9
205.08565	9.3
209.07961	1.0
215.06970	0.8
217.08569	4.7
219.06430	1.4
219.10071	1.0
221.05972	1.2
223.07634	2.5
225.09009	0.9
227.07108	1.0
233.07983	5.1
235.07442	1.3
235.09663	2.7
236.08353	0.7
240.07809	1.1
241.08588	2.7
247.09637	2.6
249.05385	0.8
253.08510	0.7
255.10075	3.2
259.09503	1.3
263.09158	1.1
264.07834	0.8
265.08545	2.5
269.07944	1.0
277.08447	0.8
291.10004	1.2
293.11597	1.1
297.11176	1.3
309.11084	1.3
315.12329	1.1
323.09097	1.1
325.10745	2.7
327.12192	4.7
329.10248	4.8
339.12094	3.1
355.11719	1.3
357.13351	0.8
369.13480	0.7
383.15262	1.0
385.12784	4.3
387.14316	2.6
415.13498	2.6
416.14618	15.8
417.15356	23.3
439.75504	0.7
489.85272	0.8
535.19452	1.0
547.19055	0.9
549.25610	0.8
565.20587	66.8
577.20117	2.4
595.21436	1.0
613.22900	1.6
715.26318	1.0
727.28339	0.9
761.22565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64428	0.7
58.07796	0.7
59.05002	0.7
60.62059	0.7
61.02914	7.7
67.05494	11.6
68.96361	0.8
69.03425	4.8
69.07063	3.7
71.04998	1.5
71.08584	0.7
73.02913	4.5
77.21787	0.8
79.05465	10.0
81.03391	2.0
81.07041	11.5
83.04962	1.0
83.08634	1.7
85.02911	6.6
91.03942	3.2
91.05441	7.0
92.08920	3.6
93.07034	9.8
95.04964	2.0
95.08597	6.3
97.02874	6.9
99.04416	1.1
101.02365	3.4
105.07037	4.3
107.08599	4.3
109.10161	4.6
117.07013	1.7
119.08575	4.0
121.10111	1.5
124.99937	1.0
127.03916	1.8
131.08568	1.0
133.10077	1.8
135.11613	1.1
145.10086	1.3
149.13289	1.0
151.11104	0.9
173.13081	1.0
184.07413	1.0
204.72223	1.0
234.04218	0.8
243.08372	3.4
258.91229	1.0
331.18951	5.5
335.25977	1.0
519.28943	7.2
549.26697	3.3
709.14825	1.0
799.91046	0.9
827.49048	100.0
828.49384	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	827.491
Annotation	Unknow
Peak:m/z	Relative Intensity
60.16306	0.3
61.02919	4.8
67.05497	7.0
69.03417	3.5
69.07060	2.6
71.01339	0.4
71.04975	0.3
73.02901	4.2
79.05478	4.5
81.03412	1.9
81.06586	0.5
81.07041	5.3
81.94733	0.3
83.04977	1.2
83.08620	1.3
85.02883	4.1
85.06503	0.3
86.09732	0.4
91.03945	2.6
91.05463	2.1
91.31899	0.3
93.07032	4.2
95.04949	0.7
95.08587	4.2
96.22276	0.3
97.02860	4.0
97.10143	1.1
101.02371	1.6
103.03947	0.5
105.07046	1.5
107.08568	2.5
109.02895	0.4
109.06535	0.5
109.10162	1.8
119.08575	1.4
121.10123	2.1
123.11612	0.3
125.09547	0.3
127.03914	1.5
131.08632	0.5
133.10144	0.6
135.11717	0.4
144.49091	0.3
167.52783	0.3
173.13263	0.4
184.07304	0.4
185.04338	0.5
189.74931	0.3
223.13373	0.4
243.08258	3.0
291.19604	0.5
297.35144	0.4
331.18735	2.2
335.25891	0.6
519.29266	7.2
549.26660	2.6
689.08020	0.4
827.49005	100.0
828.48859	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	827.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82862	0.8
59.85431	0.9
61.02913	7.7
67.05493	14.4
69.03429	5.0
69.07052	7.0
70.53840	1.0
73.02919	5.4
79.05483	10.4
81.03400	2.1
81.07032	14.7
82.07352	1.1
83.04974	2.1
85.02872	7.1
86.09740	1.2
87.02006	0.9
91.03976	4.4
91.05457	9.0
92.08698	2.6
92.09277	2.3
93.07027	11.6
93.14391	1.0
95.08565	9.7
95.82288	0.9
97.02903	4.7
97.06506	1.5
99.04436	1.5
101.02392	2.1
105.06989	7.5
107.08582	8.1
109.02885	1.1
109.10181	4.9
111.08144	1.2
117.07021	2.2
119.08590	5.2
121.10126	1.9
123.11687	1.3
127.03938	1.9
131.08563	2.4
133.10121	2.3
145.10144	1.9
159.11659	1.2
184.07333	4.4
187.14818	1.1
215.86755	1.1
243.08502	1.5
294.50848	1.0
295.15668	1.2
313.17789	1.9
331.18906	4.9
337.27429	1.9
349.23837	1.8
401.18301	1.2
519.28864	8.1
531.25983	1.6
531.40234	1.4
809.47656	5.7
827.48975	100.0
828.50116	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	827.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	5.4
63.08731	2.1
67.05495	12.1
69.03407	4.0
69.07066	3.0
70.23440	2.2
70.65341	2.2
71.04990	3.9
73.02902	4.4
76.77935	2.4
79.05486	10.1
81.03410	4.9
81.07056	3.9
85.02902	11.3
87.20173	2.3
91.03933	3.4
91.05473	3.9
92.09028	2.9
95.04959	4.4
97.02860	5.8
105.06985	2.4
109.10177	5.2
119.08614	2.8
149.09595	3.6
243.08531	3.3
283.15195	5.5
288.05209	2.7
301.08847	12.0
327.87888	2.5
385.18839	2.7
439.19043	3.8
457.78226	2.6
501.22995	26.9
529.22229	5.3
573.24744	4.0
583.30145	2.8
657.30499	3.8
664.58160	2.6
699.35132	5.8
723.39203	19.7
737.66461	2.7
741.36847	19.0
827.43823	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	827.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	1.8
61.02920	6.4
67.05493	11.3
69.03427	4.5
69.07059	3.1
71.04990	0.7
73.02902	4.0
73.79776	0.6
79.05463	5.6
81.03390	1.3
81.07034	9.0
83.08581	0.8
85.02498	0.7
85.02894	6.9
85.06545	1.1
86.09209	1.2
86.09697	13.8
89.45399	0.8
91.03957	3.8
91.05477	4.4
93.07024	9.0
94.07327	0.7
95.04966	1.6
95.08588	6.4
97.02882	6.8
97.06582	0.9
98.98457	1.6
99.04462	0.7
101.02362	1.5
101.73485	0.8
105.07040	3.8
107.08597	1.8
109.06535	1.3
109.10178	1.5
113.06009	1.1
117.07013	1.2
119.08601	4.1
121.10160	1.7
124.99980	10.3
127.03918	1.0
131.08569	1.7
133.10146	1.0
135.11752	0.9
136.12138	0.7
145.10126	1.0
147.11716	1.0
184.07314	26.9
185.07632	0.9
185.13162	0.8
238.12260	0.8
243.08414	3.3
254.27415	0.8
331.18832	6.0
335.25781	1.3
336.26245	1.4
348.58813	1.0
519.29224	5.9
549.26691	4.6
611.46014	1.4
696.89459	0.8
723.21484	0.8
826.47650	6.3
827.48993	100.0
828.48151	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	826.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	8.4
66.87302	1.2
67.05492	35.5
68.67022	1.6
68.76919	1.4
69.03410	23.9
69.07053	93.8
71.04971	2.9
71.08625	5.5
73.02894	3.1
79.05473	15.6
81.03413	15.7
81.07037	67.4
83.08605	31.7
85.02888	59.6
85.10151	1.5
86.09683	2.0
87.04448	2.9
89.90694	1.4
91.03936	1.8
91.05459	17.2
92.08710	4.5
92.09309	5.9
93.07023	46.8
95.04950	2.1
95.08587	91.3
97.02863	23.3
97.06539	2.8
97.10118	10.7
99.04453	2.7
105.07018	43.2
105.52394	1.5
107.08579	65.7
109.02872	9.3
109.10144	87.0
111.11710	6.1
114.81602	1.4
117.06995	10.0
119.08564	60.3
121.10126	49.1
123.11678	34.2
127.03899	21.3
129.06964	3.3
130.07736	1.5
131.08548	26.8
132.30582	1.6
133.10097	45.2
135.11671	44.7
136.14151	1.5
137.09644	1.7
137.13213	27.6
143.08577	12.4
144.09308	2.2
145.04938	7.7
145.10097	46.1
147.11661	43.4
149.13246	24.0
151.14792	5.9
153.12675	1.9
157.10066	19.2
158.10922	3.2
159.11658	56.8
161.13232	43.6
163.14758	14.9
169.10120	1.9
171.11623	19.6
173.13232	42.3
175.14775	25.1
177.16336	3.4
183.11676	2.9
185.13243	21.5
186.14044	14.1
187.05981	2.5
187.14767	29.9
189.16356	31.1
191.17934	5.5
197.13243	3.3
199.14835	22.1
200.15544	1.9
201.16341	29.9
203.17921	9.4
205.07074	11.9
205.19487	1.9
207.17340	2.9
211.14772	2.9
212.15536	2.6
213.12633	1.5
213.16347	15.0
214.17012	2.1
215.17961	23.7
217.19460	8.6
225.16368	1.9
226.17090	3.0
227.17897	15.4
229.19482	55.3
229.21716	2.4
238.16951	1.7
239.17885	2.7
241.19365	10.3
243.21135	5.8
247.20491	6.7
254.20322	2.6
255.21045	19.6
257.22607	8.3
259.24115	2.4
269.22583	61.1
271.24149	7.4
281.22510	3.6
283.24225	17.7
287.23578	7.4
295.24121	3.6
297.25662	19.4
325.28757	10.6
351.30484	2.0
407.36673	100.0
408.36978	2.8
409.25601	8.5
425.37625	19.2
435.27206	2.4
449.28833	33.5
463.30557	6.6
477.31885	10.1
587.43066	29.9
675.23364	1.8
845.93945	1.6
858.87610	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	2.8
60.08139	3.8
61.02910	16.5
62.97984	1.8
65.03880	1.7
67.05145	3.1
67.05490	84.0
69.07043	11.5
71.07359	2.8
71.08614	26.5
73.02909	3.7
73.73870	1.8
74.09707	3.7
79.05468	4.6
81.07033	26.5
83.08595	12.4
85.02892	16.1
85.06520	2.4
85.10167	15.2
86.09692	53.6
91.03918	2.7
91.05464	9.6
91.69234	2.0
92.08988	17.2
93.07018	9.8
95.08585	24.5
97.02856	4.9
97.10143	8.2
98.98470	3.1
105.06987	3.8
106.50102	2.0
107.08563	3.8
109.10145	92.5
109.49133	1.8
111.08077	2.6
119.08573	8.1
124.99966	31.9
127.03866	2.4
149.09566	2.0
155.10603	3.3
173.11694	25.0
184.07318	100.0
185.07965	1.9
219.03929	2.0
229.14301	64.2
313.27310	79.8
467.37247	95.3
468.13681	2.3
547.06732	2.2
610.45209	2.2
825.47601	2.5
826.48779	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	826.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	6.6
61.02911	17.6
65.73391	0.9
67.05492	96.4
69.03403	3.9
69.07051	9.8
69.69567	0.8
71.04971	1.7
71.08614	27.9
73.02891	6.5
79.05482	3.8
81.07034	24.5
83.08599	15.7
85.02888	20.3
85.06553	1.8
85.10162	17.0
86.09679	8.4
89.06015	1.3
91.03938	9.7
91.05461	7.2
92.08976	7.2
93.07048	6.5
95.04931	1.4
95.08583	26.8
97.02865	10.6
97.10149	5.8
103.03953	1.0
107.08569	1.3
109.10140	98.4
111.08050	3.6
119.08541	8.8
123.11674	2.0
124.99989	4.5
127.03856	3.7
137.09607	4.2
137.13245	1.0
145.04973	2.1
145.10115	1.0
155.10654	5.4
163.06003	3.7
165.16124	0.9
171.18980	1.0
173.11699	27.3
184.07309	17.2
229.14301	100.0
239.23636	1.8
257.24753	1.2
313.27298	84.6
467.37234	74.1
534.05206	0.9
543.56470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	1.4
61.02924	5.6
61.97500	0.8
62.61139	0.7
65.03923	3.4
67.05492	100.0
68.05849	0.9
69.03417	8.9
69.07055	37.3
71.04979	5.1
71.08591	1.0
73.02888	1.2
77.03893	0.9
79.05476	78.6
81.03401	8.1
81.07040	95.5
83.04985	6.9
83.08601	16.7
85.02881	6.7
85.06532	4.7
91.03933	1.2
91.05460	63.5
92.09096	4.9
93.07021	83.8
95.04953	12.0
95.08582	63.2
97.02868	6.8
97.06518	10.7
97.10155	16.4
99.04417	1.6
99.08068	1.0
105.04518	1.4
105.07014	54.8
107.04939	9.3
107.08576	57.1
109.02869	1.0
109.06500	7.5
109.10143	33.2
111.08063	3.7
113.06024	1.1
117.06994	20.7
119.08559	39.7
121.06459	4.4
121.10123	27.5
123.08051	4.0
123.11684	7.0
125.09605	12.6
127.03873	1.4
128.06194	1.1
129.06969	7.7
130.07730	1.3
131.08542	28.5
133.06497	0.9
133.10104	25.9
135.08049	5.8
135.11635	13.4
137.09578	4.1
137.13344	0.8
141.06952	1.6
142.07704	1.1
143.08543	8.4
145.10112	21.1
147.11668	20.6
149.02455	0.8
149.09607	9.5
149.13268	5.4
151.11156	1.1
155.08546	3.6
157.10107	7.2
159.11688	14.1
161.09601	1.2
161.13252	6.4
163.11168	3.7
165.12698	1.6
169.10132	4.2
171.11687	4.4
173.11887	1.8
173.13203	8.9
175.14755	1.4
177.12743	3.4
183.11661	3.9
185.13257	5.6
187.14780	3.8
189.11185	3.5
189.12729	1.2
191.14168	0.9
197.13213	1.6
199.14780	1.6
201.16399	1.6
219.17406	1.5
227.12727	10.1
229.14290	4.2
229.19438	1.3
239.17952	1.9
243.20996	1.6
247.20348	1.2
257.18912	6.7
259.20535	1.9
261.22079	6.8
267.15918	1.4
269.17545	1.4
275.20023	27.8
275.22900	1.4
293.21158	1.0
309.20502	3.0
317.24722	1.4
331.22406	1.2
333.24033	1.8
335.25748	63.6
349.23688	28.9
367.24670	1.0
489.35461	6.8
505.35123	4.3
515.36609	1.7
529.38654	3.8
562.35425	0.9
569.41785	4.6
579.60071	1.0
589.02887	0.9
609.45081	51.2
627.46124	6.5
634.52679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08856	1.4
61.02924	2.3
65.03910	2.8
67.05489	87.0
69.03408	6.4
69.07053	45.2
71.04974	3.1
74.74213	1.5
79.05473	78.2
81.03403	6.1
81.07037	100.0
83.04960	8.4
83.08601	18.7
85.02876	7.1
85.06534	3.5
91.05458	64.0
92.08923	2.3
93.07016	83.6
95.04939	15.2
95.08583	68.1
97.02874	6.6
97.06503	11.2
97.10157	16.3
99.08083	3.1
105.04471	1.9
105.07011	69.9
107.04931	8.3
107.07875	2.4
107.08577	56.1
109.02887	2.4
109.06480	11.6
109.10127	26.7
111.08070	3.5
117.06994	21.7
119.08558	52.5
121.06455	2.6
121.10117	30.7
123.08031	6.4
123.11668	10.8
125.09604	14.1
129.06969	10.9
131.08542	32.3
133.10117	31.5
135.08026	7.0
135.11693	13.5
141.06956	3.0
143.08475	13.4
145.10123	24.0
147.11665	27.8
149.09621	15.0
149.13173	4.1
151.11171	2.0
155.08487	1.8
157.10085	8.5
159.11649	23.4
161.09615	2.2
161.13200	9.7
163.11133	8.6
163.14836	2.6
169.10027	1.9
171.11617	4.0
172.59811	1.6
173.13211	12.1
175.11067	2.2
175.14848	5.9
183.11650	7.6
184.07329	3.2
185.13245	10.2
187.11099	2.3
189.11159	3.8
201.07666	2.0
201.16266	2.5
203.14296	8.0
219.17432	10.5
227.12755	13.0
239.17751	2.3
257.18912	7.9
261.22055	7.5
267.15738	6.3
275.19998	39.6
293.21002	2.0
335.25726	71.0
349.19281	2.4
349.23663	67.4
383.96051	1.8
505.35001	2.6
545.37665	2.0
555.40588	3.2
609.45044	99.6
610.45355	2.7
627.45776	19.9
825.47406	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	824.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04979	1.1
60.77769	1.0
61.02913	3.7
62.38455	0.6
63.67797	0.8
65.03925	4.8
66.15473	0.7
67.05492	100.0
69.03421	9.0
69.07055	35.3
71.04983	6.1
74.60872	0.7
77.21083	0.7
79.05473	71.9
81.03400	10.1
81.07037	99.2
83.04972	11.5
83.08603	13.0
85.02874	6.4
85.06532	3.4
91.04883	1.9
91.05462	59.7
91.08748	0.7
93.07024	84.5
95.04962	11.5
95.08585	53.0
95.09203	1.6
97.02881	3.9
97.06508	9.8
97.10152	4.3
99.08040	2.7
105.04489	1.5
105.07015	46.4
107.04944	3.7
107.08578	39.8
109.06507	7.1
109.10138	25.7
111.04413	1.4
111.08084	4.4
115.05456	1.1
117.07000	19.5
119.08562	30.5
119.09396	1.4
121.06469	2.0
121.10114	27.2
123.08073	1.5
123.11702	4.6
125.09677	1.4
127.03891	0.8
128.06195	1.4
129.05460	1.1
129.06987	6.9
131.08528	25.6
133.06444	1.0
133.10109	20.7
134.12852	0.8
135.08047	3.5
135.11653	17.6
137.09618	1.1
141.07021	1.2
142.07703	1.4
143.08530	5.6
145.10110	18.1
145.11205	1.0
147.11659	12.2
149.09558	7.0
149.13243	10.4
151.11127	1.7
157.10048	5.7
159.11652	12.6
161.13205	6.6
163.11124	3.8
163.14777	1.5
169.10120	3.3
171.11688	4.6
173.11884	1.2
173.13167	7.3
175.14796	1.5
177.12674	1.9
179.14354	1.0
183.11664	1.7
185.13239	3.7
187.14851	1.9
195.13837	3.1
197.13223	1.8
199.14836	1.3
208.31125	0.8
219.17418	1.4
227.12689	1.8
229.14369	3.4
235.16798	1.0
239.17935	1.0
243.21085	0.9
255.15947	1.6
257.18964	4.6
259.20404	1.1
261.22156	6.7
269.17371	12.8
275.20007	11.9
280.42578	0.9
293.21088	1.0
309.20520	5.0
317.24615	1.3
331.22708	1.7
335.25726	51.4
336.79660	0.9
349.23660	14.5
367.24841	1.1
403.04666	0.9
489.35513	4.1
504.38666	0.9
515.37219	8.9
529.38770	33.7
530.38885	1.1
569.41925	14.8
609.45038	20.5
627.45984	5.0
673.42584	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	4.5
65.03928	3.3
67.05151	4.1
67.05493	100.0
67.05847	3.5
69.03405	11.7
69.07052	31.2
71.04963	3.7
71.08601	3.7
73.02882	3.1
79.05474	84.8
81.03395	3.3
81.07037	90.4
83.04971	19.7
83.08604	11.1
84.05346	2.2
85.02879	4.5
86.09672	2.3
91.05456	78.0
92.05805	2.6
92.09038	13.9
93.07024	90.2
95.04959	20.1
95.08576	60.0
97.02860	4.2
97.06493	4.8
97.10130	4.0
99.08101	2.1
102.47093	2.5
102.72981	2.2
103.05479	3.9
105.07015	68.2
107.04939	4.5
107.08556	31.1
109.06491	10.3
109.10137	24.0
117.07004	22.7
119.08554	45.6
121.06505	4.4
121.10112	28.1
123.08027	2.4
123.11643	3.8
129.06955	8.6
131.08557	32.0
133.10088	37.0
135.08002	4.8
135.11665	20.2
143.08582	12.6
145.10118	20.6
147.11661	21.1
149.13266	9.3
157.10066	8.8
159.11636	13.8
161.09514	2.7
161.13205	11.4
163.14914	3.8
171.11687	10.4
173.13237	11.9
175.14787	3.7
183.11626	3.8
185.13237	5.2
241.19501	5.2
257.19073	2.9
259.20453	11.4
260.49347	2.3
261.21991	3.8
275.19946	9.1
293.20987	12.1
311.54672	2.4
333.24261	13.3
335.25778	57.0
336.26199	8.4
349.23654	3.3
426.25296	2.9
529.38763	13.8
569.41718	8.8
611.46240	23.3
626.44788	4.2
627.45416	8.6
767.32990	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	824.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90857	1.5
63.29807	1.7
67.05485	9.1
69.07058	100.0
75.39489	1.5
79.05482	2.3
81.03388	1.7
81.07021	8.1
83.04953	6.0
91.05477	3.8
92.08981	12.7
93.03371	3.3
93.07021	7.3
95.08580	2.7
105.07014	6.6
109.10093	1.9
111.04416	13.2
119.08589	2.3
129.09102	27.4
131.08559	2.8
135.18094	1.8
145.26891	1.8
156.40300	1.7
157.08566	3.9
165.08281	1.7
171.83292	1.6
182.44780	1.6
267.12039	3.4
369.48376	1.7
417.20065	1.9
501.23203	2.0
615.29669	6.7
777.96649	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	12.7
65.03921	1.4
67.05144	2.0
67.05492	47.5
67.85468	1.5
69.03430	9.1
69.03762	1.2
69.07058	13.9
71.01337	2.7
71.04966	6.0
73.02897	3.3
73.68421	1.3
79.05473	50.6
81.03399	60.0
81.07037	44.6
83.04977	20.5
83.08601	18.7
85.02886	27.2
85.06535	3.2
91.03931	6.8
91.05461	34.2
92.09203	3.3
93.07021	55.5
95.04961	29.3
95.08591	15.7
97.02859	9.4
97.06504	15.2
97.10168	12.0
99.04414	2.3
99.08099	1.8
105.03368	6.5
105.07012	26.5
107.04919	10.2
107.08570	40.6
109.02910	1.7
109.06476	7.7
109.10138	9.8
111.04449	2.0
111.08077	9.8
117.07014	7.2
119.04903	1.5
119.08567	24.1
121.06484	2.9
121.10107	15.4
123.11719	2.1
125.09610	2.9
127.03921	1.8
129.06973	11.0
131.08525	11.6
133.06450	1.8
133.10123	13.2
135.08060	3.0
135.11676	48.2
137.09605	2.5
140.78079	1.2
142.07759	1.4
143.08522	1.4
145.04953	1.4
145.10107	13.3
147.04378	2.5
147.08061	1.9
147.11690	16.1
149.09537	5.1
157.10092	12.4
163.11157	6.9
165.12708	2.6
167.06987	1.6
175.11169	12.8
181.12236	6.8
193.12209	36.0
211.13249	28.1
255.15852	69.1
255.18481	2.8
267.15900	21.1
285.16895	17.2
421.25549	2.8
447.27289	59.5
465.28381	100.0
609.32031	1.5
734.22516	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	2.0
61.02905	3.8
61.33076	1.7
62.30722	1.5
64.67683	1.5
65.03915	2.0
67.05489	98.6
69.03400	9.0
69.07052	26.3
71.04970	9.9
79.05474	57.1
81.03398	100.0
81.03874	4.1
81.07036	76.7
83.04964	13.6
83.08599	43.7
85.02879	6.8
85.06536	3.0
91.05460	62.8
92.08765	8.8
93.07021	55.3
95.04939	47.5
95.08579	29.7
97.02850	3.4
97.06512	16.7
97.10146	17.2
99.04391	1.9
99.08051	2.4
105.03370	9.6
105.07011	45.8
107.04934	22.6
107.08578	42.5
109.02853	2.0
109.06493	15.7
109.10138	57.6
111.08078	13.9
113.06025	1.9
115.05341	2.3
117.07006	19.4
119.04906	2.3
119.08556	51.7
121.06454	14.2
121.10137	27.5
123.04439	3.0
123.08038	4.1
123.11696	2.5
125.09604	16.5
129.06990	21.8
131.04890	1.9
131.08543	27.8
133.06488	10.3
133.10123	30.0
134.74510	1.7
135.08008	7.7
135.11649	12.3
137.05936	2.5
137.09583	8.4
139.07610	1.8
142.07779	2.3
143.08516	7.9
145.06444	3.3
145.10086	18.4
147.04378	2.4
147.08035	9.1
147.11670	22.9
147.12755	2.3
149.09599	15.9
149.13264	7.4
150.48143	1.8
151.07544	2.2
151.11203	2.7
155.08510	3.5
155.10553	1.9
157.10115	22.6
157.91801	1.6
159.08026	2.4
159.11653	11.1
161.09567	3.0
161.13240	2.4
163.11153	10.3
165.12692	3.1
167.07153	1.9
167.08548	3.3
169.10074	4.0
171.11661	7.4
173.09587	2.7
173.11693	13.5
173.13126	4.4
175.11160	16.0
177.00768	1.7
181.10136	3.2
183.11664	2.8
185.13226	2.9
187.11218	3.3
187.14752	2.8
188.92809	1.9
189.11221	6.8
193.12202	32.9
199.14717	1.9
211.13293	1.9
217.15910	2.0
227.12730	8.7
229.14316	30.9
229.19431	2.2
249.14812	2.7
255.15906	2.1
257.19028	2.8
267.15857	88.4
269.17465	3.6
275.20001	15.2
293.20984	2.8
301.21744	1.7
349.23709	6.4
367.24664	10.8
369.24371	2.2
421.25800	49.3
443.27844	6.9
447.27185	10.1
461.28922	46.7
465.28464	4.2
493.31488	24.4
501.32153	2.5
541.35150	55.5
559.36115	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	824.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	0.9
65.03922	6.4
67.05486	1.2
69.03416	2.8
71.04993	0.6
75.04458	3.4
78.04691	2.9
79.05451	6.7
81.03386	2.7
82.04168	1.1
83.04991	0.6
85.02880	8.2
87.77634	0.5
89.03886	0.7
90.25764	0.6
91.05453	11.7
92.08678	2.2
92.09313	2.1
93.03369	10.7
93.03800	0.6
93.07015	7.1
93.15677	0.6
95.04939	8.6
95.08570	0.9
96.05706	0.6
97.02888	1.3
97.06517	4.1
103.05441	24.0
105.03378	2.5
105.04508	0.6
105.07008	11.4
106.04147	24.0
107.04939	15.5
108.05750	0.8
109.06530	2.5
110.03627	2.4
111.01393	0.6
111.04436	2.9
115.05444	6.9
117.03365	0.8
117.06982	5.7
118.04099	5.0
119.04915	4.0
121.05595	1.2
121.06470	32.2
121.28098	0.6
122.03563	0.7
123.04409	6.1
123.08090	0.8
124.05198	2.6
125.05959	11.6
126.85704	0.5
127.03867	0.7
128.06186	0.6
128.84802	0.7
129.06969	1.4
130.04106	1.2
131.04903	27.5
131.08562	1.1
132.05679	3.6
133.02843	1.4
133.06464	11.5
133.10075	0.6
134.03615	4.3
135.04396	3.6
135.08073	1.1
137.02422	0.6
137.05960	7.5
138.03062	2.5
138.06709	0.7
139.07506	4.5
140.04686	0.6
141.06998	1.2
142.02615	0.6
143.04918	1.3
144.05666	1.3
145.02788	2.4
145.06473	8.1
146.03600	1.0
147.04413	2.7
147.08028	5.3
148.05165	16.6
149.05946	48.5
151.03886	3.2
151.07506	4.1
152.04681	2.6
152.08372	0.7
153.05450	4.9
153.09081	11.6
155.04887	0.8
155.07062	0.7
157.06451	1.0
158.17632	0.6
159.04337	1.1
159.07996	2.5
160.05103	0.9
161.05942	12.1
161.07162	0.7
162.06578	0.7
163.03851	2.9
163.07495	28.3
165.05443	1.3
165.09059	0.6
166.06297	1.0
167.06996	76.2
171.06493	5.4
173.05965	7.5
175.07480	3.5
176.04695	3.7
177.05428	21.6
178.06131	0.7
179.07076	1.2
181.04915	84.9
181.08479	16.5
187.07451	4.9
189.05345	0.8
189.09085	0.8
190.06187	2.9
191.06992	85.5
192.07628	1.4
193.04962	0.9
193.08591	4.5
195.06511	3.3
199.84988	0.6
201.05487	2.8
202.06261	0.9
203.06979	5.0
205.06813	0.7
205.08484	4.3
207.06458	1.3
207.08244	1.0
207.10165	2.7
209.08043	100.0
210.08395	0.9
217.08591	3.7
219.08224	0.7
219.10088	2.5
221.08005	1.2
233.06131	0.7
233.07973	5.1
235.07642	1.4
235.09593	5.6
236.08150	0.7
237.09132	0.7
249.30148	0.7
251.57201	0.8
252.07623	0.9
253.08543	0.7
263.06537	0.8
263.09082	14.9
267.10089	2.9
277.08432	0.7
279.10092	1.0
281.08011	0.7
293.07938	1.0
294.08643	0.7
295.09534	1.4
307.09634	1.0
311.08936	0.8
325.10696	2.6
329.09860	0.6
329.13840	0.6
335.08762	0.7
339.12244	0.7
357.13202	4.3
369.13159	1.0
385.04785	0.6
385.12701	6.4
399.14371	2.8
417.15326	30.3
418.15796	0.9
477.47998	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	0.9
65.03922	6.4
67.05486	1.2
69.03416	2.8
71.04993	0.6
75.04458	3.4
78.04691	2.9
79.05451	6.7
81.03386	2.7
82.04168	1.1
83.04991	0.6
85.02880	8.2
87.77634	0.5
89.03886	0.7
90.25764	0.6
91.05453	11.7
92.08678	2.2
92.09313	2.1
93.03369	10.7
93.03800	0.6
93.07015	7.1
93.15677	0.6
95.04939	8.6
95.08570	0.9
96.05706	0.6
97.02888	1.3
97.06517	4.1
103.05441	24.0
105.03378	2.5
105.04508	0.6
105.07008	11.4
106.04147	24.0
107.04939	15.5
108.05750	0.8
109.06530	2.5
110.03627	2.4
111.01393	0.6
111.04436	2.9
115.05444	6.9
117.03365	0.8
117.06982	5.7
118.04099	5.0
119.04915	4.0
121.05595	1.2
121.06470	32.2
121.28098	0.6
122.03563	0.7
123.04409	6.1
123.08090	0.8
124.05198	2.6
125.05959	11.6
126.85704	0.5
127.03867	0.7
128.06186	0.6
128.84802	0.7
129.06969	1.4
130.04106	1.2
131.04903	27.5
131.08562	1.1
132.05679	3.6
133.02843	1.4
133.06464	11.5
133.10075	0.6
134.03615	4.3
135.04396	3.6
135.08073	1.1
137.02422	0.6
137.05960	7.5
138.03062	2.5
138.06709	0.7
139.07506	4.5
140.04686	0.6
141.06998	1.2
142.02615	0.6
143.04918	1.3
144.05666	1.3
145.02788	2.4
145.06473	8.1
146.03600	1.0
147.04413	2.7
147.08028	5.3
148.05165	16.6
149.05946	48.5
151.03886	3.2
151.07506	4.1
152.04681	2.6
152.08372	0.7
153.05450	4.9
153.09081	11.6
155.04887	0.8
155.07062	0.7
157.06451	1.0
158.17632	0.6
159.04337	1.1
159.07996	2.5
160.05103	0.9
161.05942	12.1
161.07162	0.7
162.06578	0.7
163.03851	2.9
163.07495	28.3
165.05443	1.3
165.09059	0.6
166.06297	1.0
167.06996	76.2
171.06493	5.4
173.05965	7.5
175.07480	3.5
176.04695	3.7
177.05428	21.6
178.06131	0.7
179.07076	1.2
181.04915	84.9
181.08479	16.5
187.07451	4.9
189.05345	0.8
189.09085	0.8
190.06187	2.9
191.06992	85.5
192.07628	1.4
193.04962	0.9
193.08591	4.5
195.06511	3.3
199.84988	0.6
201.05487	2.8
202.06261	0.9
203.06979	5.0
205.06813	0.7
205.08484	4.3
207.06458	1.3
207.08244	1.0
207.10165	2.7
209.08043	100.0
210.08395	0.9
217.08591	3.7
219.08224	0.7
219.10088	2.5
221.08005	1.2
233.06131	0.7
233.07973	5.1
235.07642	1.4
235.09593	5.6
236.08150	0.7
237.09132	0.7
249.30148	0.7
251.57201	0.8
252.07623	0.9
253.08543	0.7
263.06537	0.8
263.09082	14.9
267.10089	2.9
277.08432	0.7
279.10092	1.0
281.08011	0.7
293.07938	1.0
294.08643	0.7
295.09534	1.4
307.09634	1.0
311.08936	0.8
325.10696	2.6
329.09860	0.6
329.13840	0.6
335.08762	0.7
339.12244	0.7
357.13202	4.3
369.13159	1.0
385.04785	0.6
385.12701	6.4
399.14371	2.8
417.15326	30.3
418.15796	0.9
477.47998	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	13.5
57.07056	3.2
58.19125	1.3
61.02940	1.6
65.03919	2.6
67.05494	100.0
69.03411	6.8
69.07053	28.3
71.04974	3.2
74.56855	1.3
79.05474	79.2
80.10168	1.4
81.03412	8.1
81.07036	93.8
83.04967	47.5
83.08592	12.1
85.02903	2.2
85.06532	6.3
91.05460	73.3
92.09013	7.1
93.07027	73.1
95.04961	17.2
95.08587	57.1
97.02839	2.3
97.06512	7.6
97.10122	2.6
99.04427	2.2
99.08068	2.0
105.04478	1.5
105.07011	58.4
107.04954	8.6
107.08576	51.3
109.06496	6.9
109.10144	54.5
111.08091	1.7
117.07011	12.8
118.25180	1.1
119.08557	22.8
121.06491	6.8
121.10113	21.5
123.08060	2.2
123.11681	9.5
125.09621	1.4
127.07529	1.6
129.06972	6.2
130.07780	1.8
131.08553	23.8
133.06516	4.6
133.10109	64.3
135.08035	7.4
135.11642	11.4
137.09592	2.6
141.06891	1.4
141.17928	1.2
143.08539	5.5
145.10104	12.6
147.08035	5.5
147.11668	7.9
149.09584	5.6
149.13258	3.0
151.11183	17.9
157.10121	2.9
159.11697	7.2
161.09564	5.2
161.13263	2.9
163.11113	1.5
169.10033	1.5
171.11620	2.3
173.13213	6.8
175.11148	6.0
177.12640	1.7
183.11594	1.4
184.07300	3.1
185.13223	1.9
243.21056	1.3
245.18915	2.1
253.14287	51.1
255.17496	2.2
261.22125	8.0
263.20151	1.4
271.15204	1.7
273.18488	12.8
291.19531	11.8
309.20486	1.8
333.24353	2.0
335.25717	68.2
347.22058	3.2
365.23175	28.4
417.29718	1.7
513.35382	3.2
531.36627	24.6
543.40118	1.8
607.43445	7.1
625.44525	67.5
697.98907	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92551	0.2
65.03926	5.0
67.05479	1.9
69.03403	1.6
70.33399	0.2
71.04974	0.4
71.79171	0.3
75.04463	3.3
77.03896	0.4
78.04683	2.2
79.05471	5.6
81.03401	3.4
81.07015	0.5
82.04188	1.3
85.02412	0.5
85.02888	8.5
89.03879	0.5
89.05971	0.5
91.05455	11.1
92.08691	0.6
92.09277	0.8
93.03382	8.9
93.07030	4.9
95.04400	0.4
95.04950	8.1
97.02847	1.6
97.06516	4.3
97.86813	0.3
102.04648	0.5
103.05448	22.8
105.03359	1.7
105.04502	0.4
105.07011	9.5
106.04154	21.4
107.04942	11.5
108.02059	0.5
109.02825	0.6
109.06469	1.7
110.03608	1.9
111.04433	2.5
115.05441	5.8
115.39542	0.4
116.06229	0.4
116.86533	0.3
117.03328	1.1
117.06998	4.4
118.04124	5.0
119.04883	2.7
119.08561	0.7
120.05657	0.5
121.06480	28.0
122.03583	0.3
122.07314	0.4
123.04414	6.2
123.07991	0.6
124.05180	2.9
125.05972	10.0
127.03879	0.6
129.06976	2.2
130.04092	2.1
131.04903	22.9
131.08476	1.2
132.05666	2.9
133.02821	1.9
133.06470	10.5
134.03615	4.4
135.04413	2.6
135.08025	2.7
136.05185	0.4
137.02361	0.3
137.05965	5.3
138.03088	1.7
138.06682	0.6
139.07533	3.1
141.06934	1.3
142.02586	2.2
143.04941	1.4
144.05679	2.0
145.02806	0.7
145.05237	0.4
145.06453	6.2
145.08226	0.4
146.03589	1.3
146.07193	0.5
147.04358	1.8
147.08043	1.9
148.05168	13.2
149.05962	43.8
150.06450	0.5
151.03880	3.6
151.07541	3.2
152.04652	1.7
153.05453	4.4
153.09074	11.1
155.06026	1.3
156.05646	0.5
157.06479	2.2
158.07294	0.3
159.04424	0.6
159.08037	1.9
160.05139	1.2
161.05943	10.8
162.03079	0.5
162.06601	0.5
163.03880	2.7
163.07509	26.7
165.05473	2.3
166.06194	1.5
167.06999	64.1
168.07370	0.4
171.04318	0.4
171.06516	5.7
173.05965	8.1
174.06575	1.1
175.03902	0.4
175.07512	4.1
176.04631	3.4
177.05432	23.6
177.09067	1.4
178.06177	0.3
179.06938	1.6
179.08546	1.1
181.04924	72.4
181.08514	19.8
182.05257	0.5
184.05132	0.4
187.07483	4.0
189.05426	0.8
189.08995	0.7
190.06204	1.9
191.06996	76.9
192.07455	1.6
193.04904	1.3
193.08577	4.5
195.06519	3.4
201.05437	1.8
202.06166	0.5
203.06989	2.2
205.08563	4.2
206.05676	0.4
207.06450	1.6
207.08160	1.1
207.10172	1.6
209.08058	100.0
210.08406	1.6
217.08542	2.6
218.07356	0.4
219.08022	1.4
219.10124	3.3
220.07219	0.4
221.06004	0.3
221.07970	0.5
223.07529	0.4
223.09593	0.5
225.07426	0.5
231.06268	0.4
233.05826	0.6
233.08014	5.1
234.06696	0.5
235.07423	1.9
235.09630	4.5
237.09109	0.5
241.08517	0.6
245.07985	1.4
247.07475	1.3
249.09053	0.7
252.07715	0.7
253.08507	0.5
254.80690	0.3
255.10127	0.4
257.08038	0.4
263.06790	1.0
263.09106	15.1
264.07617	0.6
265.08426	0.6
267.10049	3.6
269.07956	0.4
271.09714	0.3
277.08456	0.5
279.10074	0.6
283.09564	0.4
292.07321	0.5
293.07962	0.4
295.09491	0.7
297.11227	1.6
299.09235	0.4
307.09540	1.5
309.07684	0.4
322.08472	0.3
325.10605	1.9
327.12164	0.6
329.13803	0.5
331.11655	0.3
337.10849	0.6
339.12195	1.3
355.11691	0.5
357.13260	4.2
359.14935	0.8
367.11526	0.8
369.13290	0.6
371.14273	0.4
385.12753	6.8
387.14188	0.6
389.15955	0.5
399.14221	3.0
417.15341	23.2
418.15891	0.6
609.22913	0.6
690.96649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	13.5
57.07046	1.0
61.02909	1.2
65.03922	3.3
66.28104	0.7
67.05493	66.8
69.03412	13.5
69.07056	41.4
71.04960	4.3
79.05475	55.6
81.03412	6.6
81.07037	63.0
83.04952	7.9
83.08601	13.7
85.02876	1.5
85.06520	1.3
85.30214	0.7
86.09705	0.9
91.05464	32.8
92.08591	1.9
92.09217	5.2
93.07025	56.1
95.04944	13.7
95.08582	45.5
97.02879	11.9
97.06490	4.5
97.10142	16.5
105.07011	22.5
107.04936	7.5
107.08578	32.4
109.06497	4.4
109.10143	20.3
111.08054	4.4
117.06997	10.3
119.08567	20.2
121.06459	5.0
121.10126	20.9
123.08053	5.7
123.11667	4.9
124.99984	1.4
125.09639	11.8
129.06993	3.5
130.07750	1.2
131.07660	1.0
131.08543	15.3
133.06447	1.9
133.10107	12.5
134.07265	0.9
135.08020	3.9
135.11656	11.7
137.09601	4.7
141.06935	1.1
143.08522	4.1
145.10091	11.8
147.08037	4.4
147.11652	6.1
149.09595	1.9
149.13228	5.1
157.10075	4.8
159.11678	5.0
161.09572	1.5
161.13225	3.5
162.10321	1.0
163.11137	1.6
163.14742	1.5
165.09015	1.2
171.11676	3.1
173.11794	0.9
173.13261	3.5
175.11205	1.2
177.12694	1.1
183.11559	0.8
184.07359	3.2
185.13371	1.1
187.11171	1.1
187.14771	1.0
189.11180	3.8
193.12144	1.3
195.13693	1.1
205.12169	1.5
208.74001	1.0
223.13246	25.9
227.12790	1.8
245.19029	1.3
245.26607	0.9
249.14792	4.9
249.52766	1.0
261.22144	4.9
262.71222	0.9
273.18448	12.7
291.19476	100.0
317.24698	1.7
335.25729	81.4
365.18610	1.6
365.23132	40.4
384.94617	0.8
545.37958	2.9
625.44489	98.7
626.44806	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	11.2
62.26198	0.9
63.05832	0.8
65.03917	1.2
67.05494	63.3
69.03420	12.8
69.07057	39.7
71.04963	1.7
79.05476	57.7
80.04762	0.8
81.03389	6.3
81.07041	58.1
83.04986	6.7
83.08602	15.3
84.86803	0.8
85.02869	0.9
88.43287	0.9
91.05464	32.5
92.09006	8.4
93.07027	54.0
95.04943	13.3
95.08589	36.9
97.02851	12.3
97.06501	5.2
97.10156	15.3
103.05463	1.0
105.04520	0.9
105.07011	23.0
105.67085	0.9
106.95902	0.9
107.04929	9.9
107.08581	24.5
109.06512	5.8
109.10149	16.1
111.08055	1.8
115.05393	1.5
117.07008	11.5
119.04908	1.2
119.08549	17.2
121.06497	3.7
121.10136	16.2
123.08050	6.9
123.11690	1.9
125.09651	7.9
128.06215	1.4
129.06992	4.9
131.08557	15.8
133.06462	4.5
133.10130	11.3
134.07196	1.2
135.08009	5.0
135.11674	7.8
137.09613	1.5
142.07855	1.1
143.08549	2.1
145.10118	11.1
147.08031	6.0
147.11676	6.8
149.09674	1.6
149.13219	3.9
151.11223	1.2
157.10074	3.6
159.11682	5.7
161.09590	1.7
161.13246	1.7
162.10323	1.1
171.11687	1.2
171.97142	1.0
173.13271	1.7
175.11227	1.4
177.12721	1.2
184.07419	1.8
185.09607	1.3
189.11078	1.6
195.43399	1.0
213.60815	1.0
223.13254	24.8
227.12732	1.8
243.21219	1.2
248.71510	0.9
249.14830	5.3
261.22070	5.3
267.15747	1.2
273.18484	9.5
291.19492	100.0
317.24722	1.3
335.25745	50.3
335.29840	1.9
365.23141	44.2
462.58420	1.2
545.37982	3.7
551.05652	1.1
592.12146	1.1
607.43231	1.2
625.44531	69.3
626.44757	1.0
822.51648	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	28.3
61.02913	2.4
65.03944	3.0
67.05492	100.0
69.03416	9.6
69.07053	44.5
71.04973	11.9
72.17772	1.7
73.02907	2.0
75.42220	1.6
79.05475	64.7
79.91692	1.7
81.03403	95.2
81.07040	63.7
83.04990	12.8
83.08597	21.0
83.57084	1.5
85.02888	4.0
85.06523	6.9
87.87532	1.8
91.05466	62.2
92.08585	1.8
92.09113	8.9
93.07024	49.5
95.04947	40.3
95.08577	33.8
97.02853	3.9
97.06498	14.2
97.10165	14.0
99.04489	2.2
105.07020	47.2
107.04932	21.1
107.08578	27.5
109.06503	13.0
109.10149	44.7
111.04416	6.9
111.08083	11.9
111.59780	1.6
115.05480	2.3
116.04776	1.6
117.07010	16.7
119.04974	2.0
119.08565	38.1
121.06483	10.3
121.10121	21.1
123.08070	7.0
123.11720	2.3
125.05952	1.6
125.09618	8.6
128.06175	1.7
129.05481	2.2
129.06979	16.2
131.08551	22.9
133.06477	4.0
133.10101	17.9
135.08032	2.7
135.11681	10.7
137.09624	7.4
141.07007	2.7
142.07776	2.6
143.08594	7.3
145.06473	2.8
145.10085	14.1
147.08041	5.9
147.11665	15.8
149.09616	18.6
155.08446	2.3
155.10667	2.4
157.10112	16.0
159.07985	2.8
159.11681	8.1
161.09662	2.9
161.13179	2.6
163.11148	13.1
170.47021	2.2
171.10239	1.8
171.11667	2.1
173.09665	2.2
173.11761	7.6
175.11157	7.7
179.14270	3.1
183.11700	2.9
184.16541	1.9
187.11136	3.6
189.11156	3.0
193.12218	24.3
209.13351	2.1
211.66338	1.7
223.13254	2.0
227.12767	2.7
229.14287	24.7
237.15598	1.7
267.15833	50.3
275.20038	11.5
291.19751	3.2
329.21051	2.7
349.23700	10.9
365.23267	2.8
385.23373	1.7
421.25827	24.9
447.27518	15.7
447.59967	1.9
541.35193	28.3
559.35822	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	822.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	13.8
59.04989	0.7
60.04489	0.4
61.02912	5.4
61.11361	0.3
64.31815	0.3
69.03412	23.2
71.01322	1.8
71.04973	0.7
73.02895	26.7
79.05473	6.6
79.45198	0.3
81.03395	12.3
85.02885	37.5
85.35742	0.3
85.58430	0.3
87.04439	4.1
91.03946	1.1
91.05455	16.4
91.06002	0.7
92.08697	0.6
92.09194	0.7
95.04957	3.9
97.02865	34.2
99.04437	3.6
101.02361	0.4
103.03932	0.5
105.03368	100.0
106.03698	0.4
109.02859	8.5
110.58583	0.3
111.04369	0.3
115.03907	20.2
123.04407	18.7
127.03883	13.6
132.06563	0.7
133.04948	6.5
133.85196	0.3
144.06566	1.6
145.04941	8.9
150.07613	1.7
156.15988	0.3
162.07555	0.7
163.05983	2.8
174.66135	0.4
180.08723	0.6
205.08644	0.4
217.08565	0.6
223.05977	1.2
231.06468	0.8
241.07021	2.1
249.07513	15.0
253.10626	1.4
259.08093	3.4
267.08566	34.7
268.08832	0.4
271.11771	0.4
285.09558	3.3
294.11795	1.6
295.10172	5.6
312.12918	0.5
389.14304	1.8
420.18427	0.7
434.16574	2.1
653.81311	0.4
744.24139	0.4
796.93207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	21.4
59.04974	0.4
60.04494	0.3
61.02911	6.3
65.03915	1.2
67.21912	0.2
69.03411	20.2
71.01328	2.2
71.04977	0.5
71.16658	0.2
73.02895	48.0
79.05448	0.4
81.03403	3.3
85.02885	35.1
87.04446	1.8
91.05456	100.0
92.05775	0.3
92.08722	0.5
92.09303	0.5
97.02864	46.8
99.04438	1.1
103.03912	0.4
105.03363	10.0
105.07027	1.9
109.02850	3.2
115.03903	23.3
117.06985	1.7
123.04403	1.8
127.03887	9.7
129.06973	2.4
131.08562	1.1
132.06573	1.5
133.04956	4.9
133.06467	2.6
143.03426	0.4
143.08536	1.4
144.06506	0.7
145.04941	8.2
145.06447	1.4
149.05986	0.4
150.07578	3.0
153.06879	0.3
157.06482	1.2
159.07996	0.4
161.04398	3.1
162.07574	0.5
163.05989	2.3
171.07980	1.1
175.07478	0.5
187.07495	0.5
193.05014	0.5
199.05859	0.4
205.08606	1.2
217.08646	3.2
223.05963	1.6
235.09578	3.3
241.07082	3.2
249.07510	1.5
250.37402	0.3
253.10637	10.1
259.08014	5.1
267.08572	3.1
271.11691	5.5
277.09113	0.3
288.14368	1.3
294.11929	0.3
295.10156	16.2
403.15982	0.3
420.18497	9.2
501.46902	0.3
786.98090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	18.5
60.08142	8.4
64.60777	3.9
67.05494	82.2
69.07062	35.6
71.04976	7.9
76.17130	4.2
76.99559	4.6
79.05477	100.0
81.07043	80.4
83.04961	8.7
83.08617	45.1
86.09698	38.0
91.05469	68.7
92.08734	19.8
92.09327	15.9
93.07030	60.8
95.04900	7.7
95.08601	37.4
97.10157	75.8
105.07016	31.2
105.23088	5.4
105.44329	5.3
107.08585	59.1
109.10152	20.6
117.06987	41.2
117.85764	4.5
119.08561	76.5
121.10123	11.2
124.99982	28.3
125.09621	59.4
131.08549	21.6
133.10115	22.8
135.08057	10.8
135.11642	7.3
145.06487	33.0
145.10139	8.8
147.07904	6.4
159.07991	9.6
184.07281	73.7
189.11180	24.5
216.26834	5.6
227.12724	50.3
261.22134	5.8
271.16937	53.5
289.17947	21.5
335.25781	49.1
345.20547	6.7
363.21454	20.6
486.55939	5.2
505.34955	29.1
605.42078	34.0
623.42957	97.2
808.25549	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	820.5922
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39877	63.4
62.06986	52.7
79.05456	71.1
81.07043	79.6
92.08869	77.7
95.08575	100.0
103.07831	68.1
107.06580	60.9
144.74730	60.1
329.83801	71.7
335.25458	68.7
366.72708	72.8
586.75189	85.5
691.01300	80.4
761.71008	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	25.6
67.05186	2.6
67.05488	42.0
69.07029	15.7
79.05473	36.6
81.07037	32.7
83.04958	24.1
83.08604	3.1
86.09660	5.3
87.52016	2.7
91.05449	27.3
92.08807	13.0
93.07010	36.3
95.04932	4.7
95.08569	26.5
105.07030	23.0
107.04947	26.2
107.08569	21.9
108.27555	2.3
109.06489	9.5
109.10123	8.8
111.04391	11.0
111.84080	2.5
113.05959	3.1
114.37784	2.1
117.06985	11.8
119.08555	12.7
121.06491	3.1
121.10107	12.2
123.11743	2.7
124.99964	3.9
126.13794	2.6
129.06975	3.4
131.08539	14.5
133.06470	3.9
133.10083	11.7
135.08038	4.9
135.52586	2.6
145.06448	3.0
145.10089	5.2
149.13196	3.3
158.81262	2.5
159.08009	4.4
163.11122	3.0
170.76596	2.2
177.12604	3.1
184.07329	10.0
205.15755	3.1
215.14053	3.0
233.15279	4.2
243.17383	3.2
261.18399	2.8
271.16742	5.1
289.17880	15.6
335.25732	30.5
337.94788	2.7
343.26917	2.6
363.21631	22.8
509.86758	3.0
588.47498	3.0
623.42944	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	813.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.9
61.02906	2.7
63.07970	2.0
64.33971	2.2
66.89022	1.9
67.05480	10.9
69.03400	3.0
73.02888	5.3
79.05449	8.4
81.07033	12.4
85.02886	4.1
86.09661	2.2
91.03913	3.9
92.08848	2.5
93.07022	4.2
95.08584	11.4
97.02878	4.6
105.07027	4.0
107.08545	2.6
121.10056	3.2
123.64871	2.4
124.99965	3.2
131.08499	2.3
151.97147	2.2
184.07289	10.9
317.21109	2.5
519.29108	4.4
535.28583	5.3
769.94385	2.8
813.51215	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	820.395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	25.1
59.04713	0.8
59.04989	14.2
60.04514	1.1
61.02916	8.1
62.33316	0.5
65.03918	0.6
67.05513	4.7
69.03413	65.5
69.07061	1.1
71.04974	2.6
73.02898	26.5
73.92033	0.7
75.04456	2.7
79.05471	3.6
81.03389	9.4
81.07036	2.7
83.01347	0.9
83.04971	1.4
84.92908	0.6
85.02887	100.0
87.04446	36.5
89.54085	0.5
91.03932	3.6
91.05465	3.7
93.07021	7.4
95.04935	4.6
95.08592	2.9
97.02863	68.3
97.06502	0.8
99.04427	5.6
101.02377	0.6
101.05972	4.6
103.03952	1.3
105.03373	35.2
105.07007	20.8
105.07658	1.0
107.08575	37.9
109.02851	8.2
109.06496	11.8
109.10150	9.2
109.21370	0.6
111.04449	1.2
111.08050	0.6
115.03905	63.6
117.06999	1.0
119.08548	11.1
121.06503	2.6
121.10131	2.7
122.07243	0.6
123.04444	5.0
123.08027	17.1
125.02229	0.7
125.05936	0.9
127.03887	20.9
127.04807	0.9
127.66183	0.5
129.06985	0.6
133.04938	43.8
133.06508	2.3
133.10120	4.2
135.08031	8.7
135.11673	5.6
137.09590	87.0
138.09979	0.7
143.08493	0.9
145.04935	27.3
145.10115	1.1
147.04420	0.7
147.08034	4.3
147.11674	7.3
149.09619	3.6
150.07591	9.6
151.07544	1.1
153.09076	5.7
155.08533	0.6
156.09390	0.9
159.11687	0.9
161.13225	8.4
163.05980	9.2
169.04880	1.1
171.08003	0.8
171.11652	1.5
174.10342	0.7
177.12698	0.7
181.04869	0.7
186.78113	0.7
189.09181	1.1
189.12704	9.1
201.09052	1.5
207.13756	22.6
219.10191	3.0
223.06052	1.2
225.14807	13.5
231.10156	0.7
241.06998	2.8
249.07436	5.3
255.12215	6.7
259.08118	12.2
267.08575	8.0
277.09055	1.2
285.13284	17.1
295.10141	15.6
302.15875	1.1
352.24460	0.8
387.19989	3.5
434.14462	1.3
434.20120	26.1
479.45966	0.7
555.76306	0.6
566.20319	0.8
641.44556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.8
57.28254	0.3
61.02909	4.6
67.05483	5.2
68.10305	0.5
69.03418	4.2
69.07056	1.7
71.04981	0.6
73.02900	4.6
75.95892	0.4
76.42618	0.5
79.05471	5.6
80.81313	0.4
81.03391	1.6
81.07033	6.3
85.02889	6.5
86.09699	2.8
91.03925	3.3
91.05457	4.6
92.08903	0.7
93.07018	6.1
95.04963	0.8
95.08581	4.9
97.02875	5.3
98.21474	0.4
99.04417	0.5
101.02374	1.0
103.95759	0.5
105.07008	4.0
107.08575	3.5
109.02858	0.5
109.10170	1.6
117.07001	1.0
119.08585	2.5
121.10143	2.1
123.17786	0.4
125.00025	1.8
127.03922	0.9
131.08546	0.9
133.06480	0.4
133.10133	2.3
135.11685	1.6
145.10115	1.7
147.11688	0.8
159.11708	0.9
184.07274	6.4
196.08031	0.5
243.08247	3.4
259.20737	0.6
330.03140	0.5
335.25748	0.6
361.23392	0.5
362.97305	0.5
454.45004	0.4
519.29016	6.2
535.28735	6.2
591.31512	0.5
775.65222	0.6
813.51031	100.0
814.51648	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	813.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23916	1.1
61.02916	6.0
62.19549	1.2
67.05505	8.0
69.03419	5.1
69.07037	1.7
73.02924	2.1
78.83970	1.2
79.05491	7.0
81.03356	1.3
81.07056	6.2
82.40945	1.2
84.12518	1.5
85.02905	2.9
86.09689	1.6
91.03941	2.4
91.05476	2.6
92.08822	1.9
93.07036	6.6
95.08606	5.7
97.02925	5.6
98.75638	1.2
101.02370	2.1
105.07018	2.4
105.31294	1.4
107.08608	2.2
117.07010	1.4
119.08556	2.1
125.00014	1.4
127.82761	1.3
163.94606	1.4
184.07419	3.0
220.18346	1.2
243.08501	2.7
248.26299	1.3
519.29480	5.6
535.28796	3.1
813.51044	100.0
814.53949	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.8
57.07056	1.0
59.04987	1.8
61.02907	0.2
63.93359	0.2
67.05488	1.9
69.03414	2.4
69.06707	0.3
69.07050	3.4
70.49920	0.2
71.04974	2.2
79.05464	1.1
81.03395	0.4
81.07040	4.0
83.04455	0.4
83.04964	16.7
83.08604	19.0
85.02881	2.5
85.06538	1.5
87.04456	0.2
87.42854	0.2
91.05452	1.1
92.08714	0.3
92.09243	0.4
93.07022	3.9
95.04948	4.6
95.08588	4.3
97.02859	0.8
97.06508	3.2
97.10153	3.8
99.04419	1.3
99.08100	0.6
105.07014	2.2
107.04929	0.2
107.08575	9.6
108.31554	0.2
109.02889	0.3
109.06499	3.6
109.10139	11.1
111.04431	0.4
111.08067	4.8
111.11701	0.4
113.09615	1.0
119.08535	1.7
121.10118	9.4
123.04386	0.2
123.08044	1.3
123.11678	4.9
125.09608	5.5
127.03895	0.8
127.07540	0.2
127.11179	0.2
131.08556	1.8
133.10097	7.7
135.08017	1.0
135.11658	1.4
137.09547	0.3
139.11162	5.6
144.09381	0.2
145.04930	0.3
145.10083	1.1
147.11702	2.5
149.09514	0.2
149.13237	4.7
151.11160	25.9
153.09056	1.8
153.12700	0.8
157.12224	1.6
158.10912	0.8
161.74315	0.2
163.03870	0.4
163.14774	2.4
167.06984	0.2
167.14278	38.4
168.14612	0.2
168.99323	0.2
173.13243	4.4
191.14255	4.2
209.15334	100.0
210.15652	1.2
227.16393	2.6
353.19278	0.3
371.20593	1.1
529.84967	0.2
771.89246	0.2
788.19257	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.2
57.07070	0.4
57.82033	0.3
59.04974	1.5
61.02889	0.3
67.05490	2.9
69.03414	3.5
69.07044	2.6
69.44804	0.3
71.04951	1.4
79.05465	1.3
81.03385	0.4
81.07033	5.0
83.04961	16.9
83.08599	20.6
85.02880	2.9
85.06524	2.8
87.04475	0.4
90.18894	0.3
91.05457	0.8
93.07017	5.2
95.04936	6.3
95.08581	3.8
97.02869	1.5
97.06497	4.2
97.10142	3.5
99.04434	0.7
99.08060	0.6
101.33344	0.3
105.07019	3.5
107.08582	11.3
109.05834	0.3
109.06506	5.9
109.09394	0.4
109.10136	11.9
111.08057	6.2
113.09599	0.5
119.08526	1.8
121.10108	11.0
123.08048	0.7
123.11688	5.1
125.09598	7.1
131.08533	1.7
133.10095	7.6
135.08041	1.7
135.11650	1.7
137.09624	0.4
139.11150	0.7
145.04924	0.4
145.10112	0.8
147.11661	2.0
149.13240	5.4
151.11150	27.4
153.09061	1.7
158.10844	0.6
163.14766	1.7
167.14273	36.6
173.13217	4.5
191.14270	4.0
198.54805	0.3
209.15329	100.0
210.15685	1.5
227.16374	3.0
371.20667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27745	2.3
60.77708	1.9
62.89552	2.2
63.98426	1.9
67.05484	3.5
81.07034	2.9
87.11326	2.0
91.05453	2.4
91.46660	2.3
91.76657	2.2
92.08837	2.5
95.08611	3.3
124.68487	2.1
137.86259	2.1
211.40775	1.9
317.07257	2.3
533.26727	11.1
654.63531	2.6
811.49561	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	812.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72003	0.3
60.07866	0.4
60.08149	8.8
67.05478	1.8
70.63704	0.3
71.07344	4.9
79.05456	0.5
81.07040	0.6
86.09685	46.7
91.05448	0.5
92.08639	0.6
92.09241	1.1
93.07029	0.8
95.08574	0.4
98.98436	4.4
104.10717	3.7
105.07021	0.5
107.08551	0.4
109.06456	0.3
119.08511	0.6
124.99973	36.8
126.52339	0.4
134.09573	0.6
143.00980	0.5
148.58133	0.4
160.11182	6.0
184.07295	100.0
185.07628	0.7
258.08780	3.9
363.77261	0.3
392.28262	0.4
497.32181	0.4
516.37750	0.4
616.16589	0.4
648.37524	0.4
712.46106	0.7
778.79547	0.4
794.53467	2.4
812.53986	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	812.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06581	0.3
60.07859	0.5
60.08150	9.0
67.05488	0.5
71.07363	6.2
78.24820	0.4
79.05471	0.6
81.07042	0.9
82.08511	0.4
83.08601	0.3
86.09691	47.9
93.06999	0.4
95.08566	0.5
98.98434	3.9
104.10722	4.0
107.08589	0.5
124.99980	35.6
125.34354	0.3
131.08542	0.4
131.54012	0.3
139.99446	0.4
143.01036	0.6
143.63542	0.4
184.07307	100.0
256.85971	0.4
330.25369	0.5
345.66702	0.4
489.56784	0.4
504.22974	0.4
753.42615	0.6
794.52991	2.2
812.54382	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	811.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.7
59.04990	0.7
61.02909	5.9
67.05503	5.2
69.03416	3.5
69.07060	3.4
70.77740	0.5
71.01368	0.6
71.04977	1.3
73.02895	3.8
79.05475	6.4
80.32239	0.5
81.03397	4.6
81.07032	6.3
83.04970	1.2
83.08602	0.8
85.02888	5.3
86.09686	2.5
87.04476	0.6
91.03962	3.9
91.05448	4.4
92.08970	4.1
93.07011	4.5
95.04942	2.6
95.08602	2.8
97.02880	5.8
97.06524	0.9
101.02359	1.1
105.07030	3.7
107.04926	0.6
107.08581	3.3
109.02856	0.9
109.06468	0.7
109.10128	2.1
117.07015	0.9
119.08597	2.9
121.06479	0.6
121.10123	2.1
123.08050	0.6
124.99950	1.1
127.03922	1.0
128.89102	0.7
129.07013	0.7
131.08557	3.8
133.10107	1.4
137.05981	3.5
147.11662	1.2
149.09601	2.5
151.11150	0.6
157.10118	1.0
159.11621	0.6
175.11191	1.3
184.07309	6.5
193.12234	1.1
239.06003	0.6
243.08276	4.4
267.15994	0.9
283.15222	3.4
333.20407	3.1
388.58478	0.6
469.20657	0.7
501.22995	14.4
509.98413	0.8
551.28070	7.2
721.37567	2.7
811.44318	100.0
812.44965	3.0
838.68896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.5
61.02910	4.6
67.05503	4.7
69.03415	2.6
69.07063	1.9
71.04993	0.3
73.02893	3.4
79.05481	3.7
81.03394	1.3
81.07047	4.3
83.08621	0.4
85.02887	3.9
91.03926	2.9
91.05471	3.6
92.08941	1.5
93.07033	4.6
95.04987	0.4
95.08592	3.7
97.02854	4.2
97.06512	0.5
97.10230	0.5
97.42171	0.3
99.04482	0.9
99.05148	0.3
101.02373	1.5
105.07009	2.7
107.04954	0.4
107.08592	2.5
109.06544	0.4
109.10153	0.7
117.07028	0.5
119.08566	2.6
121.10137	1.8
127.03934	0.7
131.08501	0.5
133.10117	0.6
135.11684	0.5
145.10175	0.5
149.13252	0.4
159.11694	0.5
164.64957	0.3
166.51645	0.3
175.14851	0.4
184.07407	1.3
219.17392	2.8
243.08459	2.1
257.80435	0.4
285.17813	0.4
315.19180	3.5
363.90491	0.4
371.22064	0.4
519.29486	4.3
533.26990	6.6
543.49445	0.4
691.37726	0.5
719.66492	0.4
811.49536	100.0
812.50238	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	810.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	0.4
60.07858	0.4
60.08150	8.2
60.08453	0.3
61.40688	0.2
64.97963	0.2
67.05500	0.4
69.07049	0.3
71.07352	4.2
71.38679	0.2
79.05485	0.4
81.07034	0.8
86.09686	42.9
87.79420	0.2
91.05453	0.3
92.09144	1.3
93.07043	0.9
95.08588	0.3
98.98442	3.9
104.10738	2.6
105.07014	0.4
105.77988	0.2
107.08544	0.3
109.65324	0.2
110.60777	0.2
114.82093	0.2
124.99973	32.3
132.07954	0.2
134.23051	0.2
142.76932	0.2
143.01016	0.4
147.11656	0.2
154.99649	0.2
184.07298	100.0
185.07654	1.0
203.19901	0.2
642.03986	0.2
712.44537	0.4
792.50958	0.9
810.52606	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	809.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.4
61.02919	2.1
67.05491	7.5
69.03422	2.4
69.07021	1.2
71.04978	1.9
73.02908	1.6
79.05472	6.8
81.03416	7.6
81.07043	7.1
83.04980	1.3
83.08607	2.0
85.02895	8.4
85.06533	1.3
91.03925	2.3
91.05426	8.8
92.08805	2.7
93.07030	5.0
95.04959	4.8
95.08591	4.7
97.02880	4.3
101.02379	1.8
105.07005	2.6
107.08575	2.6
109.02920	1.4
109.10181	1.5
119.08569	2.8
121.10155	4.4
126.68111	1.2
127.03865	1.2
129.06989	1.7
131.08545	1.7
133.10081	2.6
134.81750	1.0
145.13634	1.2
147.11710	1.8
149.09691	1.2
175.11185	1.3
193.12285	1.5
212.37306	1.2
235.59648	1.3
243.08455	2.8
259.08301	1.4
283.15063	2.2
331.18646	3.7
336.98322	1.4
451.19498	1.1
501.23062	15.1
510.60709	1.4
531.25641	1.7
549.26794	1.4
639.30054	4.9
784.92249	1.5
791.42175	5.0
808.41492	2.1
809.42584	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	809.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.9
57.26933	0.4
61.02913	5.8
67.05491	5.1
69.03408	3.8
69.07051	3.2
71.04980	2.0
73.02888	4.3
76.56746	0.5
79.05485	4.6
81.03391	4.1
81.07035	5.6
83.04977	1.0
83.08624	2.2
85.02881	5.2
86.09695	1.0
87.04447	0.5
91.03944	2.5
91.05455	5.2
93.06996	4.1
95.04961	2.3
95.08586	2.8
97.02863	6.0
97.06557	0.6
97.10140	0.8
99.04431	0.9
101.02381	2.1
105.07006	3.6
107.04945	0.6
107.08562	3.7
109.06519	0.7
109.10159	2.1
111.04430	1.9
111.08092	0.8
119.08583	2.1
121.10141	2.3
125.09580	0.6
129.06982	0.7
131.08565	2.8
133.10126	1.0
135.11681	0.5
144.48132	0.4
145.10132	0.9
147.11676	1.0
153.12729	0.6
163.11206	2.1
175.11119	1.0
181.12231	1.0
184.07362	1.0
191.10674	0.8
193.12291	0.7
200.17967	0.4
203.05231	0.7
217.95978	0.4
225.14809	0.6
227.12825	0.7
243.08394	3.9
281.13492	4.9
283.15253	2.2
328.18570	0.5
331.18884	0.9
335.44595	0.4
339.17679	0.5
387.21368	0.6
499.21240	4.7
501.23111	10.1
549.26508	3.9
551.28345	2.4
561.35425	0.6
593.11523	0.5
808.41663	0.6
809.42731	100.0
810.42963	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.4
67.05476	1.3
69.03409	0.4
69.07018	0.3
70.70695	0.2
77.03866	0.3
78.04688	1.8
79.05476	2.0
81.03378	0.5
81.07014	0.5
82.04169	0.4
85.02899	1.9
91.05457	4.9
92.08997	1.6
93.03376	0.5
93.06991	0.3
95.04950	1.9
96.05723	0.2
97.02875	0.3
97.06492	0.9
103.05451	1.9
105.03358	1.0
105.06995	0.5
106.04140	1.4
107.04923	1.9
107.08572	0.3
108.02075	0.3
109.02859	0.3
110.03628	1.5
111.04386	1.3
115.05435	5.2
117.06998	10.0
119.04919	4.5
119.08530	0.3
121.06424	0.4
122.03617	0.5
123.04406	7.6
124.05193	2.9
125.05972	1.0
127.05403	1.7
131.04893	1.1
133.02856	0.3
133.06525	0.4
134.03529	0.3
135.04382	0.5
137.05957	7.4
138.03122	0.6
142.02553	0.5
143.04869	0.4
144.05621	1.1
145.06470	17.0
147.04385	5.0
147.08049	0.5
149.05919	0.8
151.03894	2.3
151.07530	1.3
152.04633	2.4
153.05435	1.6
155.04863	0.5
155.06004	5.1
155.07164	0.3
160.05086	0.3
161.05933	0.9
163.03871	1.0
165.05382	0.8
167.07004	100.0
168.07310	0.4
171.04391	0.3
171.06480	3.0
173.05952	23.3
175.07529	1.0
177.05452	0.2
179.07001	1.0
181.04929	37.0
188.04681	0.3
189.09070	0.3
191.07007	0.4
201.05420	0.4
203.06903	1.5
205.08562	5.7
207.08235	0.4
207.10097	0.3
213.05478	0.2
231.06523	0.9
233.08052	4.1
235.09627	3.5
237.09122	0.3
250.06143	0.4
265.08624	0.2
267.10065	0.2
283.09589	0.4
293.08139	0.4
295.09644	0.3
297.11081	0.4
310.08319	0.3
313.10352	0.2
325.10632	0.9
326.11691	0.3
357.13226	3.1
385.12778	7.9
386.13232	0.3
387.14212	2.9
417.15405	3.6
441.02002	0.3
583.21094	1.9
613.22705	52.0
614.23413	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03172	2.4
57.03429	34.6
57.07061	7.9
61.02916	5.9
65.03929	2.7
65.07382	1.4
67.05489	98.2
69.03402	1.9
69.07053	25.6
71.08640	1.5
79.05474	80.1
81.03407	3.4
81.07036	94.4
82.70670	1.5
83.04958	1.8
83.08600	13.0
85.02887	2.3
85.06526	2.4
91.05462	50.5
91.06008	3.0
92.09046	7.4
93.07019	86.1
95.04951	13.4
95.08583	78.4
97.02872	2.5
97.06522	7.1
97.10127	5.6
99.08075	2.5
105.07005	53.0
107.08572	42.9
109.06503	3.4
109.10144	27.7
111.11732	1.9
117.05495	6.6
117.06998	19.0
119.08553	38.6
121.10114	37.4
123.08108	3.3
123.11662	7.2
129.06993	7.7
131.08540	30.1
133.10097	32.0
135.11661	22.2
137.09564	2.1
143.08591	8.3
145.10106	20.9
147.11659	14.2
149.09520	1.7
149.13252	10.4
157.10075	5.8
159.06438	2.6
159.11658	16.1
161.13232	9.9
163.14819	1.7
171.11678	7.4
173.13228	11.8
175.14771	2.6
185.13173	3.5
187.14769	6.4
241.19489	3.7
259.20557	18.4
261.22122	3.4
277.21484	11.5
282.12451	1.7
333.24265	17.3
335.25735	100.0
335.29813	3.4
351.25278	25.6
411.38422	2.6
529.39258	1.8
571.43945	2.9
611.46478	39.0
654.02264	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	19.5
57.07066	6.3
61.02904	6.9
65.03908	1.9
67.05492	99.7
69.03391	2.6
69.06673	1.5
69.07050	44.2
71.04980	2.4
71.08603	2.1
79.05472	85.3
81.03378	3.4
81.07035	100.0
82.49585	1.5
83.04964	6.4
83.08608	20.3
85.02900	2.3
85.06561	2.8
91.05458	50.7
92.09064	7.2
93.07018	94.1
95.04939	14.1
95.08582	82.5
95.09197	2.5
97.02867	3.6
97.06487	14.0
97.10145	3.8
99.08108	3.2
105.06364	2.7
105.07011	49.9
107.04932	2.4
107.08570	52.7
109.06495	7.2
109.10138	27.5
111.08022	3.4
117.07004	12.1
119.08559	37.1
121.10123	30.8
123.11693	7.3
125.09570	1.9
127.73662	1.6
129.06949	9.3
131.08525	18.7
133.10107	33.7
135.08018	2.4
135.11685	22.0
140.09561	1.4
143.08525	8.2
145.10068	16.6
147.11659	27.8
149.09586	1.9
149.13228	9.6
151.11104	2.9
155.18227	1.6
157.10074	2.8
158.97113	1.9
159.11638	11.4
161.13200	11.2
163.14798	2.5
165.12703	2.1
171.11613	9.4
173.13191	9.5
175.14751	6.3
185.13310	2.4
187.14836	2.1
192.16965	1.6
193.06877	1.5
199.14746	2.3
241.19382	5.9
257.18869	2.3
259.20520	17.7
261.22028	3.6
277.21591	15.0
333.24301	12.3
335.25723	92.1
351.25232	37.0
611.37048	1.9
611.46545	41.1
629.47424	2.2
767.05219	1.7
808.52338	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	18.9
57.07056	4.7
59.72020	0.8
60.21191	1.1
60.84420	0.9
61.02916	4.7
65.03928	2.0
67.05492	95.5
69.03402	1.0
69.06702	1.9
69.07056	27.8
71.04976	4.2
79.05473	81.9
81.07039	93.5
83.04955	2.2
83.08617	11.5
85.02885	4.4
85.06535	1.7
87.84428	1.0
91.05460	85.9
92.09185	2.4
93.07022	100.0
95.04948	13.7
95.08584	72.5
97.02885	1.6
97.06513	5.5
97.10173	2.6
99.08087	1.3
103.05464	1.9
105.04587	1.2
105.07014	92.1
107.04875	1.1
107.08574	50.9
109.06514	2.2
109.10145	26.2
111.08049	1.3
115.05413	1.2
117.06995	29.4
117.22195	0.9
119.08559	70.1
121.10115	37.2
123.08063	1.8
123.11673	6.1
128.06227	4.6
129.07001	13.5
130.07780	1.2
131.07677	0.9
131.08542	40.7
133.10106	51.6
135.08028	1.6
135.11667	24.2
137.13292	1.1
141.07033	2.0
142.07747	1.7
143.08540	14.8
145.10106	32.5
147.11667	40.7
149.09642	1.8
149.13225	15.8
151.11241	1.4
155.08530	2.1
157.10106	13.0
159.11659	23.6
161.13242	20.1
163.11110	1.9
163.14812	4.2
165.12743	1.1
169.10118	4.8
171.11662	13.1
173.13239	16.8
174.23166	1.1
175.14818	9.1
183.11676	4.5
185.13234	11.1
187.14786	4.8
189.12674	1.6
197.13225	1.6
199.14841	5.4
209.13106	1.4
211.14833	1.5
213.16342	4.3
215.17828	1.3
217.15916	1.7
231.21065	1.7
239.17815	1.3
241.19511	16.7
257.18927	6.5
259.20517	44.5
261.22052	6.0
271.20599	1.8
298.17096	1.1
301.21347	1.2
315.23083	2.0
331.22711	2.0
333.24188	35.4
335.25714	53.6
337.27594	2.0
403.24356	1.6
473.76068	1.3
484.81293	1.1
519.41962	6.1
593.45319	11.0
611.46533	52.7
737.48993	1.5
755.50543	1.6
838.92926	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.3
65.03902	1.4
65.31486	0.2
67.05475	1.4
67.05801	0.2
69.03385	1.2
69.07042	0.3
71.04945	0.3
73.98315	0.2
77.03889	0.3
78.04678	0.2
79.05466	5.6
79.54643	0.2
81.03399	2.5
81.07014	1.2
83.04946	0.3
85.02876	2.6
90.56042	0.2
91.05450	4.1
93.03391	0.4
93.07008	1.4
95.04953	3.3
95.08554	1.0
97.02840	1.5
97.06489	0.5
99.04403	0.4
103.05440	9.7
104.06223	0.4
105.02671	0.4
105.03359	8.1
105.07003	24.9
107.04927	4.8
107.08555	1.0
109.02842	1.4
109.06503	1.1
109.10154	0.4
110.03632	0.5
111.04397	1.0
115.05421	3.9
117.06968	2.0
118.04137	4.2
119.04915	1.7
119.08529	1.3
120.05672	0.5
121.06493	2.1
121.10056	0.3
122.07339	0.7
123.04391	2.3
123.08022	0.5
124.05180	1.0
125.05950	1.5
125.51244	0.2
127.03899	1.1
127.05502	0.3
129.06934	1.1
130.04152	0.4
131.04892	8.0
131.08534	0.5
132.05641	1.4
133.02802	0.2
133.06456	20.9
133.10056	0.2
134.07225	0.6
135.04352	1.3
135.08014	3.3
135.11613	0.3
136.06163	0.4
137.05943	8.9
137.06834	0.3
137.09583	0.3
138.03032	0.3
141.06894	0.4
142.02542	0.4
143.04865	0.4
143.08470	0.3
144.05672	0.4
145.06450	3.2
146.03566	0.3
147.04317	0.8
147.08014	1.5
147.11641	0.3
148.05162	5.7
149.05937	1.1
149.13275	0.3
150.06737	7.9
151.03857	0.9
151.07463	1.1
152.04604	0.4
153.05453	1.0
157.06412	0.4
158.07320	0.3
158.52811	0.2
159.08017	1.0
160.05069	0.4
161.05952	3.9
163.03870	0.3
163.07503	8.5
165.05449	0.3
165.06860	0.5
165.09061	18.3
167.06987	21.8
171.06485	2.2
173.05908	4.0
175.07541	2.0
175.14798	0.4
176.04701	0.5
177.05424	1.2
177.09021	0.4
178.06184	1.4
179.03334	1.5
179.06970	0.4
181.04907	23.8
187.07494	1.5
189.05544	0.3
190.06152	1.7
191.06979	23.4
193.08553	100.0
194.09216	1.0
195.06480	1.2
197.04413	5.8
201.05423	1.1
202.06221	0.3
203.06989	1.0
205.04744	0.3
205.06747	0.3
205.08571	2.0
207.08054	0.4
207.10059	0.9
209.07838	0.4
217.08600	1.4
219.08116	0.3
219.10146	1.1
223.07553	0.3
233.08037	1.9
235.07439	0.5
235.09616	1.3
247.07341	0.3
249.07227	1.6
251.06885	0.3
263.06857	0.3
263.09128	3.4
267.08438	0.3
267.10236	0.4
281.07996	0.4
295.09579	0.5
297.11163	0.4
307.09412	0.5
317.82822	0.2
320.24301	0.2
325.10635	0.5
327.15613	0.3
337.10526	0.3
357.13272	1.3
359.14557	0.2
369.12964	0.3
385.12753	1.4
399.14133	1.1
401.16125	0.3
413.15955	0.3
417.15326	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	808.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.5
60.04501	0.2
61.02903	0.2
65.03912	1.2
67.05479	1.1
69.03410	1.7
71.04968	0.3
77.03912	0.2
78.04678	0.4
79.05475	6.5
79.62573	0.2
81.03376	1.8
81.07027	1.2
82.04176	0.5
83.04960	0.4
83.08595	0.2
85.02884	2.8
91.05450	4.4
92.08962	0.8
93.03356	0.5
93.07007	0.9
95.04943	3.0
95.08553	0.3
97.02863	1.1
97.06487	0.4
98.51789	0.2
99.04436	0.3
103.05444	9.8
104.06226	0.3
105.03372	2.2
105.07011	26.0
106.04184	0.2
107.04941	5.9
107.08551	0.5
109.02875	0.9
109.06494	1.8
109.10155	0.4
110.03612	0.5
111.04412	1.2
111.62783	0.2
115.05431	4.1
116.72503	0.2
117.06994	3.7
118.04139	4.1
119.04894	1.2
119.08538	1.0
120.05668	1.0
120.97784	0.2
121.06473	2.1
122.03617	0.8
122.07253	1.0
123.04433	2.3
124.05197	1.8
125.05971	2.0
127.03890	0.4
129.06967	1.1
129.10983	0.2
130.04129	0.5
131.04897	8.0
131.08536	0.9
132.05696	2.0
133.02805	0.9
133.06465	24.1
133.10114	0.3
134.03601	0.4
134.07242	0.9
135.04387	1.6
135.08025	3.4
137.05954	10.9
137.09584	0.8
139.07558	0.2
141.06978	0.4
142.02618	0.4
142.35258	0.2
143.04903	0.7
144.05656	0.8
145.04808	0.3
145.05208	0.2
145.06483	5.1
145.10118	0.3
146.03593	0.3
146.07123	0.2
147.04391	1.2
147.08018	1.2
148.05174	5.9
149.06000	1.4
150.06732	7.3
151.03888	1.6
151.07507	1.3
152.04652	0.4
153.05450	1.7
154.06219	0.2
155.05986	0.7
156.05653	0.4
157.06435	0.3
159.04492	0.3
159.08054	1.6
160.05147	0.3
161.05945	5.0
161.92062	0.2
163.07506	9.3
165.05444	0.3
165.09077	17.5
167.06998	23.4
168.07365	0.4
171.06522	1.7
172.05231	0.3
173.05945	5.2
174.06567	0.2
175.07457	2.0
176.04630	1.0
177.05450	1.5
177.06816	0.2
177.09041	0.3
178.06178	1.3
179.07004	0.9
180.08714	0.3
181.04916	27.1
182.05362	0.2
187.07515	1.9
189.05478	0.3
190.06172	2.2
191.06998	24.5
192.07664	0.3
193.08566	100.0
194.09120	1.7
195.06514	0.9
197.94228	0.2
201.05435	0.8
202.06186	0.4
203.07028	1.3
205.08545	2.8
207.06458	0.7
207.10141	0.8
209.08015	0.8
215.06975	0.3
217.08568	2.6
218.07362	0.2
219.08113	0.5
219.10100	1.4
221.08044	0.3
233.06094	0.2
233.07999	1.5
235.07512	0.7
235.09605	1.7
236.08316	0.3
237.09090	0.2
241.08646	0.2
245.07988	0.8
248.08221	0.3
253.08505	0.2
262.06033	0.3
263.06812	0.3
263.09116	4.4
265.08475	0.3
267.10092	1.2
279.10345	0.4
291.06305	0.4
293.08148	0.4
295.09430	0.3
297.11151	0.5
307.09348	0.3
315.08575	0.2
323.08987	0.2
325.10611	0.9
337.10394	0.3
357.13446	1.4
367.11710	0.3
369.13190	0.5
371.14813	0.2
385.12872	2.3
399.14325	0.8
417.15320	6.6
612.21411	0.3
815.86786	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03396	0.1
60.17399	0.0
61.02890	0.1
65.01383	0.0
65.03899	0.1
66.04694	0.0
67.05491	0.2
69.03409	0.3
78.04686	0.9
79.05476	1.0
81.03384	0.5
81.07030	0.2
83.04939	0.1
84.71629	0.0
85.02892	0.7
85.81470	0.0
86.77050	0.0
91.05455	0.5
92.08822	0.2
92.09328	0.0
93.07024	0.5
95.04939	0.5
95.08588	0.1
96.05729	0.1
97.02859	0.3
97.06504	0.1
99.04491	0.0
103.05432	0.4
105.03361	0.4
105.07023	0.9
106.04169	0.8
106.50591	0.0
107.04934	1.7
109.02847	0.1
109.06471	0.1
115.03928	0.1
115.05444	0.3
117.07012	0.3
119.04918	0.1
121.06478	0.6
122.03593	0.2
123.04399	3.3
124.05200	1.5
125.05986	0.1
129.07004	0.1
131.04889	0.1
131.08546	0.1
132.05670	0.1
133.06459	0.8
134.03624	0.3
135.04382	0.2
137.05997	0.6
144.05672	0.2
145.04965	0.0
145.05212	0.1
145.06468	0.8
147.04355	0.1
149.05951	0.8
151.03860	0.5
151.07494	0.2
152.04662	1.5
153.05330	0.0
155.07051	0.1
156.05644	0.1
157.06429	0.1
159.08011	0.3
160.05008	0.1
161.05931	0.8
162.07555	0.1
163.03900	0.1
165.05423	0.1
165.09029	0.1
166.06233	0.2
167.07001	100.0
168.04140	0.1
168.07349	0.7
173.05957	1.3
175.07468	0.1
178.06163	0.1
179.07018	0.2
180.08688	0.1
181.04951	0.1
181.08589	0.7
187.07489	0.3
190.06169	0.7
191.06967	0.1
193.08566	3.2
202.06213	0.2
203.06978	0.2
205.06924	0.1
205.08568	1.6
207.06532	0.1
211.09621	6.5
217.08562	1.1
219.10112	0.4
229.92830	0.1
235.09441	0.4
247.09535	0.1
249.11136	0.1
265.08307	0.1
265.10709	0.8
271.09677	0.1
289.95816	0.1
291.10107	0.1
296.50662	0.1
307.09509	0.1
315.08633	0.1
330.10880	0.2
331.11652	0.1
336.09872	0.1
351.12241	0.0
371.14825	0.1
383.14777	0.5
401.15863	0.9
587.08551	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.6
58.83171	0.1
61.02905	0.2
63.72183	0.1
65.03931	1.6
66.04712	0.1
67.05486	1.0
68.99780	0.2
69.03409	1.2
69.07039	0.2
70.06573	0.2
71.04972	0.2
71.94494	0.1
75.04458	0.2
77.03877	0.2
78.04704	0.2
79.05000	0.2
79.05472	6.0
81.03400	1.9
81.07025	1.0
82.04177	0.2
83.04949	0.3
85.02884	3.0
88.81103	0.1
90.04650	0.2
91.05457	3.4
92.08700	0.3
92.09256	0.3
93.03371	0.3
93.07011	1.2
94.04192	0.2
94.07823	0.1
95.04948	2.6
95.08605	0.6
96.05717	0.2
97.02856	1.1
97.06499	1.0
98.05978	0.2
99.04401	0.2
102.04688	0.2
103.05447	10.6
104.06231	0.3
105.03378	1.8
105.04468	0.3
105.07011	25.2
106.04146	0.2
106.07319	0.2
107.04932	6.3
107.08582	0.6
109.02853	0.7
109.06489	1.4
109.10141	0.2
110.03631	0.8
111.04404	1.1
115.05428	3.4
116.06215	0.1
117.06984	3.6
117.36328	0.2
118.04137	4.3
119.04926	1.3
119.08529	1.0
120.05682	1.0
121.06470	2.5
121.10118	0.1
121.86788	0.2
122.03619	0.6
122.07275	0.6
123.04407	1.9
123.08058	0.3
124.05219	1.4
125.05959	2.1
127.03880	0.6
128.06239	0.2
129.06978	1.1
130.04083	0.3
131.04903	8.6
131.08516	0.8
132.05730	1.6
133.02817	0.6
133.06461	22.6
133.10095	0.3
134.03592	0.2
134.07201	0.8
135.04410	1.6
135.07999	2.8
137.05951	10.8
137.09557	0.2
138.03050	0.6
139.07477	0.2
140.04666	0.2
141.06993	0.4
142.02571	0.7
143.04878	0.7
143.05952	0.2
144.05667	0.8
145.06468	5.3
146.03592	0.2
146.07094	0.2
147.04356	1.2
147.08051	1.3
147.11595	0.2
148.05174	5.5
149.05977	1.3
150.05502	0.3
150.06732	8.0
151.03880	1.6
151.07532	1.3
152.04677	0.6
153.05382	1.4
155.06003	0.6
156.05678	0.7
157.06451	0.7
158.07248	0.2
159.08003	1.0
160.05176	0.4
161.05940	4.2
161.07178	0.3
161.09525	0.2
162.07634	0.3
163.03859	0.3
163.07504	10.0
165.05424	0.3
165.09071	18.6
166.02621	0.2
167.06999	23.7
168.07317	0.3
171.06511	2.1
172.05154	0.2
173.04463	0.2
173.05948	5.9
174.06606	0.2
175.07491	2.2
176.04648	1.3
177.05431	1.5
177.06731	0.2
177.09055	0.3
178.06248	1.9
179.07005	0.8
180.08621	0.3
181.04918	27.4
182.05261	0.4
183.06541	0.2
184.05148	0.2
185.05963	0.3
186.06841	0.2
187.07553	1.5
189.05458	0.3
190.06224	2.6
191.06993	24.0
192.07544	0.3
193.08562	100.0
194.09193	1.4
195.06496	1.0
201.05409	0.8
202.06148	0.6
203.07005	0.9
205.08554	3.3
206.05569	0.2
207.06328	0.3
207.08218	0.2
207.10097	0.8
209.08009	1.0
211.07625	0.2
217.08583	2.7
219.06296	0.2
219.08221	0.2
219.10110	0.9
221.05962	0.2
222.06738	0.2
229.08481	0.2
233.05841	0.2
233.07974	2.1
235.07416	0.7
235.09579	1.6
236.08272	0.2
237.08986	0.3
241.08501	0.3
245.07990	0.4
246.06351	0.2
247.07431	0.3
252.07611	0.2
254.09525	0.2
257.08133	0.2
259.09619	0.2
263.06619	0.2
263.09082	4.6
264.07687	0.3
265.08350	0.5
267.10144	1.1
269.08170	0.2
276.07788	0.2
277.08603	0.3
279.09985	0.3
292.07089	0.2
293.07953	0.6
295.09610	0.3
297.11072	0.7
310.31613	0.2
315.08670	0.3
324.09045	0.2
325.10550	0.8
327.12277	0.2
329.10208	0.3
337.10696	0.2
339.12109	0.2
355.11682	0.2
357.13275	1.5
359.14954	0.2
367.11633	0.6
371.14899	0.3
383.15363	0.2
385.12732	2.0
387.14221	0.4
397.28323	0.1
399.14194	0.6
417.15326	7.0
707.65253	0.2
759.45575	0.2
777.72607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.2
61.02914	7.4
67.05495	7.5
69.03420	3.3
69.07065	1.8
71.04991	3.1
71.07373	1.0
73.02901	4.8
76.55882	0.9
76.56305	0.8
79.05476	3.9
81.03404	3.6
81.07039	8.6
85.02898	7.3
86.09682	13.5
91.03944	4.1
91.05466	4.9
92.08761	1.1
92.09226	1.1
93.07039	4.9
95.04947	1.2
95.08598	4.5
97.02871	5.2
99.04446	1.7
100.96901	0.9
101.02341	1.5
105.07012	1.9
107.08604	3.9
107.58234	1.0
109.02901	1.2
109.10175	4.1
119.08583	3.5
121.10152	1.4
124.99979	10.8
132.13795	1.0
133.10078	1.5
135.11646	0.9
139.31081	0.8
144.74849	1.1
150.35997	0.9
161.09645	1.4
161.28571	0.8
178.17705	0.8
184.07318	26.1
185.07713	1.3
209.11501	1.6
243.08353	1.9
311.14612	2.1
427.19489	4.4
487.54520	1.1
519.29309	7.0
529.22540	1.4
609.28510	1.2
684.89935	1.3
807.44769	100.0
808.44318	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	808.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03144	0.2
57.03428	5.4
61.02913	1.8
62.98722	0.2
67.69621	0.2
69.03416	10.0
71.01340	0.3
71.04978	1.0
73.02481	0.3
73.02898	8.5
77.03911	0.6
79.05045	0.3
79.05469	5.5
81.03397	10.7
85.02888	17.7
87.04443	0.8
91.03940	0.3
91.05460	16.4
92.05744	0.2
92.08702	0.8
92.09329	0.6
92.64107	0.2
93.06991	0.2
95.04945	4.3
97.02869	15.9
99.04427	1.8
105.03373	100.0
105.06995	0.6
106.03691	0.4
107.04930	0.7
107.08551	0.2
109.02139	0.3
109.02864	8.3
115.03918	4.5
117.06978	0.3
123.04403	14.9
127.03893	8.8
129.06953	0.3
131.08580	0.3
133.04956	1.0
133.06461	0.3
133.10104	0.2
135.08055	0.2
145.04961	2.9
150.07581	0.8
161.04439	0.4
163.05986	0.7
163.07390	0.2
165.05492	0.3
167.06967	0.3
173.13257	0.2
175.32440	0.2
180.08722	0.2
195.10184	1.4
197.21288	0.2
217.08601	0.3
220.00645	0.2
223.06055	0.3
227.12692	0.3
231.06541	1.5
235.09543	0.2
241.06891	0.3
244.83743	0.2
249.07524	16.2
253.10614	1.5
259.08115	0.4
267.08569	37.2
268.08774	0.3
271.11752	0.7
278.25552	0.2
285.09616	0.2
295.10178	2.2
322.87402	0.2
353.12354	0.3
371.13345	0.8
389.14413	2.7
420.18759	1.2
630.16510	0.2
740.04828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.0
61.02910	6.8
67.05505	11.8
69.03430	3.3
69.07066	3.6
73.02915	3.6
79.05469	9.0
81.03406	9.5
81.07041	9.2
83.05000	2.4
83.08606	2.8
85.02895	8.7
91.03954	1.9
91.05466	11.4
92.09022	1.6
93.07019	9.3
95.04958	3.5
95.08604	5.6
97.02891	9.8
103.18570	1.6
105.07014	7.1
107.08604	6.0
109.02872	2.0
109.06477	1.7
109.10135	1.7
119.08542	3.5
119.36961	1.4
124.99981	1.4
129.07106	1.5
131.08551	1.9
133.10141	10.0
135.08025	1.7
147.11662	2.0
149.09631	1.7
149.23734	1.5
150.73572	1.5
157.10243	1.7
179.10663	1.8
188.87192	1.4
189.20932	1.4
193.12294	2.3
207.10211	1.7
223.32957	1.6
234.42578	1.5
243.08344	2.9
261.41031	1.5
267.15842	2.0
333.20575	2.1
415.82510	1.9
468.89532	1.6
497.20132	10.7
551.28320	6.2
784.11725	1.7
807.41187	100.0
808.41473	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	806.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08151	7.8
67.05463	0.5
67.83931	0.4
67.84344	0.4
68.55302	0.5
71.07351	4.2
81.07020	0.6
86.09691	43.6
90.05751	0.4
92.08994	4.4
93.07001	0.7
95.08565	0.7
98.98441	3.9
104.10709	2.7
124.99980	32.8
143.01010	0.6
184.07306	100.0
185.07578	0.5
220.03569	0.5
300.42087	0.5
650.43500	2.5
670.86377	0.5
690.46307	0.8
770.52368	2.0
788.52979	2.6
806.43622	0.5
806.55273	8.3
807.43182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.577
Annotation	Unknow
Peak:m/z	Relative Intensity
65.41769	8.7
65.43919	7.9
67.05497	24.1
79.05483	21.6
81.07031	45.6
92.08669	37.4
92.09290	54.2
93.07026	21.2
95.08604	25.6
105.06985	11.7
107.08578	17.1
109.10127	9.9
114.45122	12.4
119.08540	10.5
121.10099	14.4
151.09000	10.4
163.78520	9.5
238.33412	11.8
283.53290	10.8
335.25851	100.0
613.48273	14.4
639.45154	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	807.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.0
61.02910	6.8
67.05505	11.8
69.03430	3.3
69.07066	3.6
73.02915	3.6
79.05469	9.0
81.03406	9.5
81.07041	9.2
83.05000	2.4
83.08606	2.8
85.02895	8.7
91.03954	1.9
91.05466	11.4
92.09022	1.6
93.07019	9.3
95.04958	3.5
95.08604	5.6
97.02891	9.8
103.18570	1.6
105.07014	7.1
107.08604	6.0
109.02872	2.0
109.06477	1.7
109.10135	1.7
119.08542	3.5
119.36961	1.4
124.99981	1.4
129.07106	1.5
131.08551	1.9
133.10141	10.0
135.08025	1.7
147.11662	2.0
149.09631	1.7
149.23734	1.5
150.73572	1.5
157.10243	1.7
179.10663	1.8
188.87192	1.4
189.20932	1.4
193.12294	2.3
207.10211	1.7
223.32957	1.6
234.42578	1.5
243.08344	2.9
261.41031	1.5
267.15842	2.0
333.20575	2.1
415.82510	1.9
468.89532	1.6
497.20132	10.7
551.28320	6.2
784.11725	1.7
807.41187	100.0
808.41473	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	806.5403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	19.3
67.05489	100.0
69.03424	3.1
69.07050	20.0
79.05473	62.4
79.05908	5.5
81.06596	5.5
81.07038	98.7
83.04930	3.2
83.08604	14.3
83.27290	2.9
85.02881	4.8
86.47312	2.9
91.05462	37.1
92.09042	5.6
93.07019	75.2
95.04945	5.6
95.08580	61.8
96.51579	3.1
97.06498	3.3
97.10152	3.8
105.07034	26.5
105.07660	2.5
107.08571	40.6
109.10142	34.8
115.12287	3.4
117.06981	5.9
119.08559	23.7
121.10120	31.0
123.11696	6.9
131.08516	18.8
133.10088	15.3
135.11638	24.0
137.70212	3.5
141.01767	4.0
143.08498	3.4
145.10126	14.4
147.11687	14.8
149.13232	6.6
152.13312	3.3
159.11679	13.0
161.13263	3.5
163.14720	4.7
166.06905	2.9
173.13217	5.6
184.07349	3.3
185.13162	3.4
187.14809	3.0
241.19547	5.0
259.20514	4.3
261.22025	17.2
321.31625	3.4
333.23975	4.0
335.25702	88.7
337.27209	12.0
374.75339	3.0
511.29373	3.6
584.49298	4.8
595.47064	15.4
613.48157	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	806.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	15.6
57.07078	0.6
59.04984	0.7
61.17529	0.4
65.03918	2.4
67.05491	39.9
69.03416	1.0
69.07053	16.9
69.07406	0.8
71.04974	1.8
79.05472	34.7
81.03408	2.7
81.07036	40.6
83.04971	3.7
83.08596	6.6
85.02903	0.6
85.06064	0.4
85.06514	3.5
91.05457	41.5
92.08807	3.4
93.07021	41.4
95.01316	2.3
95.04935	6.4
95.08584	34.0
97.06505	6.5
97.10153	2.9
98.42056	0.4
99.04448	2.1
99.08084	0.9
103.05427	0.8
105.04491	0.5
105.07011	39.1
107.04924	7.8
107.08573	21.7
107.09297	0.9
109.06509	4.2
109.10133	11.5
111.08102	0.6
113.09611	0.7
115.05409	0.7
117.06985	15.2
119.08558	26.5
121.06477	3.0
121.10124	14.1
123.08064	2.4
123.11715	1.0
129.07013	2.7
131.08536	21.1
133.10110	21.6
135.08049	2.4
135.11658	9.1
137.09595	3.0
143.08519	1.7
145.10091	14.2
147.11670	6.5
149.09627	2.4
149.13271	2.5
153.12680	0.7
157.10109	2.0
159.11664	7.2
161.13284	2.4
163.11153	0.8
163.14677	0.5
164.16397	0.5
171.11684	1.0
173.13280	3.0
175.14766	1.0
179.14320	1.2
185.13252	2.0
197.13350	0.6
201.16420	3.0
203.14302	0.9
219.17404	81.5
256.96481	0.5
257.19064	0.9
261.22253	0.7
275.19992	15.6
335.25711	33.3
336.26047	0.7
349.23642	13.1
507.23792	0.6
537.19495	0.6
609.45020	100.0
610.45416	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	806.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	22.3
57.07064	3.1
59.04983	2.4
61.02919	4.8
65.03921	2.6
67.05140	4.1
67.05495	100.0
68.05813	1.8
69.03412	3.1
69.07059	17.7
70.08753	1.7
71.01321	2.6
71.04991	3.7
72.33666	1.9
76.68799	2.4
77.18581	1.9
79.05050	3.2
79.05480	44.5
79.62685	1.6
81.03403	74.1
81.07037	64.2
82.07334	1.9
83.04971	32.8
83.08601	22.9
85.02895	33.2
85.04565	1.7
85.06525	3.8
86.09695	2.6
87.04457	3.3
91.05466	52.7
92.08981	10.7
93.07027	38.9
95.04947	31.0
95.08574	26.5
96.08926	1.8
97.02877	4.1
97.06493	7.9
97.10128	14.2
105.07001	35.7
107.04948	10.7
107.08576	22.4
109.06493	7.4
109.10146	55.5
111.04398	14.2
111.08052	14.0
117.07018	3.5
119.08563	31.0
121.06498	2.6
121.10107	12.1
123.08016	2.8
125.05967	2.1
125.09634	8.0
129.05458	2.7
129.06960	14.6
130.82190	1.9
131.08524	17.1
132.34473	2.0
133.06459	2.6
133.10114	19.4
135.11667	4.0
137.09579	4.1
142.07779	2.6
145.10121	8.8
147.07961	2.2
147.11691	14.2
149.09596	9.3
153.12706	4.2
157.10100	15.3
163.11172	11.7
167.74895	2.2
173.11703	14.9
175.11162	11.3
184.07326	4.4
191.10635	3.5
193.12207	31.8
209.11656	2.6
211.13277	40.2
227.12759	4.2
229.14352	29.3
267.15903	17.5
285.16910	36.7
301.16043	3.2
315.17990	2.8
399.23737	12.2
421.25745	4.6
439.26776	27.4
487.00876	2.1
510.31369	3.5
511.29208	11.6
591.35577	2.3
609.36047	29.9
639.87689	2.4
707.01880	2.2
807.39807	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	21.2
57.07059	1.5
57.38050	0.9
60.04498	0.9
61.02908	2.2
65.03943	2.3
67.05486	63.4
69.03409	9.1
69.07051	29.0
71.04962	6.8
71.42564	1.0
73.02905	1.4
75.38812	1.1
76.98148	1.0
79.05470	61.5
81.03394	100.0
81.07032	75.3
81.07522	1.4
83.04957	14.9
83.08595	36.6
85.02892	5.5
85.06540	2.2
87.04447	1.6
91.05451	53.8
92.08781	2.3
92.09283	1.3
93.07014	54.6
95.01231	1.1
95.04938	35.4
95.08577	31.1
97.02858	7.3
97.06504	13.3
97.10135	20.7
99.04440	1.2
99.08108	1.9
103.05437	1.3
105.07006	46.6
107.04927	14.5
107.08575	41.0
109.06485	9.4
109.10135	19.6
111.04452	1.6
111.08045	13.4
115.05422	2.5
116.06200	1.1
117.06979	18.0
119.04903	1.3
119.08549	39.9
119.09388	1.7
121.06458	11.3
121.10116	22.5
123.04414	1.5
123.08039	7.8
123.11700	2.4
125.09588	16.3
126.31454	1.1
128.06166	2.2
129.06972	17.5
131.08536	35.2
131.09537	1.1
132.43774	1.1
133.06482	6.9
133.10104	22.1
135.08015	6.4
135.11659	12.6
137.05965	4.5
137.09628	2.1
141.07004	5.6
142.07751	4.4
143.08487	8.4
145.06502	2.5
145.10078	18.6
147.08035	9.7
147.11649	18.9
149.09612	15.7
149.13235	7.4
151.11165	2.0
153.09105	4.7
155.08479	2.2
157.10078	15.8
159.08025	4.7
159.11664	12.5
161.13232	1.8
163.11102	11.8
165.12680	1.9
167.08562	1.5
169.10081	2.3
171.07977	1.7
171.11691	5.9
173.09589	2.3
173.11736	1.6
173.13237	5.7
175.11127	9.6
177.12688	1.2
181.10059	2.1
183.11729	4.9
184.07307	1.4
185.13210	2.2
187.11183	1.2
189.11194	5.3
193.12186	23.2
195.11691	1.6
197.13292	1.6
223.13199	1.5
227.12663	13.3
229.14304	3.8
245.13634	1.4
249.14883	1.7
255.15886	4.4
257.18979	5.5
267.15829	48.1
269.17413	12.6
273.18372	2.1
275.19965	14.5
289.89545	1.3
291.19543	8.3
293.21014	1.3
299.19989	1.3
315.23117	1.8
349.23636	17.1
351.22980	1.4
369.24167	1.0
402.66101	1.3
411.24857	1.1
419.24231	1.3
421.25861	5.1
429.26297	1.3
437.25061	2.6
443.27948	2.4
447.27292	18.8
461.28860	45.3
467.31168	2.3
477.27686	1.5
493.31625	7.8
523.33929	2.3
541.26801	2.0
541.35083	54.8
559.36249	24.3
591.37354	1.2
639.22504	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.1
59.04993	2.1
61.02906	0.4
67.05502	1.2
67.53362	0.2
69.01211	0.1
69.03414	6.8
69.07056	0.3
69.34453	0.2
71.04969	1.3
73.02908	0.3
77.03907	0.3
79.05472	6.3
79.05898	0.3
81.02927	0.3
81.03399	8.9
81.07025	0.4
81.61362	0.2
83.04962	1.8
85.02890	14.0
86.34337	0.1
91.05461	0.9
92.08886	0.9
93.07021	1.1
95.04945	4.8
95.08569	0.8
97.02870	6.4
99.04427	1.4
101.06001	3.8
105.03372	100.0
105.06979	2.2
106.03699	3.0
107.08570	5.4
109.02854	6.6
109.06503	2.2
109.10127	1.8
113.03487	0.2
119.08527	2.3
121.06487	0.2
121.10111	0.4
123.04403	16.6
123.08023	2.9
124.04772	0.3
127.03895	7.0
129.07011	0.3
133.06511	0.3
133.10118	0.8
135.08006	1.5
135.11662	1.4
137.09592	17.2
137.30107	0.2
145.04912	1.5
145.10060	0.2
147.04396	0.2
147.08070	0.2
147.11682	1.7
149.09598	0.9
153.09117	1.4
159.11624	0.2
161.13240	1.2
165.05392	0.2
171.11636	0.4
189.12695	2.4
207.13759	4.7
225.14774	3.5
228.08000	0.2
231.06502	1.8
249.07521	12.2
250.07848	0.3
265.82953	0.2
267.08575	37.5
268.08887	1.5
367.13721	1.0
385.14774	1.8
387.20367	0.2
403.15845	3.1
420.18637	0.2
824.55487	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20866	0.7
57.03432	1.2
61.82701	0.7
67.05491	3.6
69.07069	1.1
74.40796	0.8
74.41673	0.7
79.05482	3.6
81.03404	16.4
81.07039	1.8
83.01094	1.2
91.05459	11.5
92.08969	7.3
93.07041	3.2
95.04973	1.6
95.08605	1.2
97.02847	5.5
97.06516	0.9
99.04461	4.5
100.31137	0.7
100.63113	0.8
105.03394	0.8
105.06999	1.4
107.08567	1.4
109.02873	25.0
109.10162	1.0
111.04416	0.8
119.04918	30.2
119.08583	1.4
121.10120	0.7
127.03880	11.3
133.10074	0.9
147.04387	92.5
148.04781	1.8
156.70604	0.8
169.02629	8.6
169.04910	20.9
184.07390	1.0
186.84042	0.8
191.03131	17.3
209.11748	0.8
229.04762	1.4
251.05243	7.7
273.07571	0.9
311.07443	3.0
329.08530	1.9
372.89569	0.8
415.09933	0.9
457.11075	3.6
475.12314	3.5
745.19568	1.8
805.21423	100.0
806.21716	1.6
833.79822	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	34.7
57.07061	3.7
63.85398	3.0
65.03922	3.8
67.05489	100.0
69.07044	19.5
71.04986	4.1
71.89328	3.6
79.05469	63.8
81.07032	83.4
81.07486	5.8
83.04964	4.6
83.08591	5.3
83.63686	4.2
85.06500	13.4
86.09692	39.5
91.05453	39.3
93.07011	64.4
95.04945	64.5
95.08578	55.9
97.06486	5.5
105.07009	46.2
107.04958	8.1
107.08553	32.5
109.06483	79.9
109.10150	14.4
111.08021	4.8
113.05982	25.3
115.05475	3.4
117.06962	28.1
119.08561	28.9
121.06478	15.1
121.10111	17.3
123.08012	3.4
124.99989	25.5
129.06989	6.6
131.08539	27.0
133.10089	13.9
135.08008	54.4
135.11632	7.8
143.08545	13.8
145.10085	16.7
147.08009	5.2
149.09593	5.9
157.10068	6.0
161.09625	8.5
163.11235	4.4
173.13208	4.9
173.52937	3.6
175.11115	4.9
184.07304	74.5
199.14844	5.3
217.15842	7.1
243.21407	3.9
273.18533	25.9
291.19424	77.2
305.98801	3.7
332.99359	3.6
335.25702	32.8
344.68997	4.0
347.21866	5.8
365.23105	22.2
396.06439	3.8
534.55878	3.5
571.78400	3.9
607.43256	13.9
613.72247	3.9
625.44495	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	18.2
57.07055	0.7
59.04971	2.9
60.04498	0.8
61.02912	0.9
65.48096	0.6
67.05479	3.6
69.03416	58.4
69.07043	1.2
71.01334	0.9
71.04955	0.6
73.02907	1.3
75.04440	2.9
79.05479	4.5
81.03391	3.8
81.07037	14.3
83.04938	0.9
85.02887	100.0
86.03211	0.6
87.04448	41.2
87.04984	1.4
89.70986	0.5
91.05457	71.7
92.09171	1.0
93.07029	2.8
94.41247	0.5
95.04957	1.2
95.08591	3.2
97.02868	52.4
99.04425	2.9
105.03374	6.7
105.07010	10.3
106.02898	1.4
107.04918	7.1
107.08570	3.7
109.02854	3.1
109.06455	1.2
109.10146	5.6
111.04472	0.9
115.03904	56.7
117.05507	0.8
117.06972	1.2
119.04913	3.6
119.08579	8.7
121.06470	1.1
121.10107	6.5
123.04395	0.8
123.11680	63.7
123.60938	0.6
125.06011	4.8
127.03876	6.3
131.08568	1.0
133.04941	46.4
133.06380	4.8
141.05435	0.8
145.04961	5.0
145.06415	1.4
145.10097	2.7
147.04349	5.0
147.08040	1.6
147.11685	12.0
149.09616	6.2
150.07599	7.9
151.07471	0.7
161.04510	1.0
163.06003	1.3
163.11079	0.9
165.12749	0.7
169.04947	0.9
174.10358	0.8
175.03857	10.4
175.07581	1.0
189.12688	13.0
192.04164	2.9
205.08575	1.2
205.12273	0.7
207.06487	18.1
207.13768	28.5
217.08591	0.9
223.06030	0.9
223.09615	12.7
225.07544	9.7
225.14798	27.9
229.07069	0.6
235.09653	1.2
241.06966	1.6
253.10609	5.7
259.08066	11.3
271.11771	2.9
277.09079	2.5
288.14359	1.3
295.10129	15.4
381.85178	0.7
388.19888	0.7
402.76816	0.6
420.18726	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	804.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	24.8
57.07066	2.3
58.77525	1.9
61.10324	2.0
67.03225	2.1
67.05489	77.1
67.26109	2.0
69.03406	11.2
69.07043	27.3
71.04952	5.4
79.05469	53.4
81.03396	94.2
81.07034	89.2
81.13111	2.3
83.04958	24.4
83.08617	25.6
85.02896	3.1
85.06501	10.0
86.09710	2.6
88.13850	2.3
91.05459	91.6
92.08821	9.4
92.09357	4.5
93.07021	61.6
94.07347	3.7
95.04946	44.7
95.08582	24.9
95.17949	2.0
97.02866	4.6
97.06490	5.5
97.10143	8.8
99.04408	3.6
105.07005	70.6
105.07658	3.8
106.60310	2.4
107.04932	18.6
107.08575	57.5
109.06508	19.9
109.10137	76.5
111.08079	10.2
117.06993	18.1
119.08546	35.0
121.06458	13.8
121.10109	20.5
123.08031	5.3
123.11643	2.9
125.09642	2.4
129.06979	18.5
131.08533	24.1
133.06433	10.0
133.10107	84.9
134.10402	3.9
135.08044	12.2
135.11670	10.7
137.09598	2.9
143.08511	3.4
145.10120	15.9
147.08032	9.5
147.11639	14.0
149.09579	16.4
151.11130	29.4
157.10110	19.0
159.08014	4.6
159.11671	2.8
161.09579	12.5
161.13181	2.6
163.11086	5.5
165.09167	2.6
175.11104	10.6
179.10590	4.7
184.07404	3.9
193.12224	28.2
229.14247	2.5
245.18976	2.5
253.14252	76.3
267.15829	47.8
273.18350	10.4
283.15399	2.7
287.19824	3.8
291.19577	18.1
313.16553	3.2
314.16803	5.0
347.22131	3.2
365.23206	32.0
437.25162	3.7
445.25714	15.1
463.26959	19.5
507.29352	2.6
508.29715	4.1
539.33862	16.6
557.34680	100.0
667.57208	3.1
681.75903	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	803.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	7.8
61.02911	10.9
63.71149	1.4
66.97003	1.3
67.05486	7.9
68.72529	1.6
69.03412	28.6
69.07063	1.9
71.04983	1.6
73.02898	6.8
76.13058	1.6
79.05453	7.1
80.05010	1.7
81.03402	17.2
81.07030	8.1
83.04967	3.5
85.02895	30.9
87.04453	3.1
91.05460	7.4
92.08586	3.1
92.09220	9.2
93.05762	3.6
93.07023	9.5
94.06559	26.0
95.04947	7.2
95.08569	2.9
96.08071	3.1
96.29954	1.4
97.02872	15.0
99.04449	2.6
103.05441	2.3
105.03367	9.0
105.07001	8.5
106.06586	2.1
107.08569	3.9
108.08105	56.1
108.08867	1.8
109.02866	9.1
109.10179	3.5
110.09685	2.6
116.04944	3.1
117.06964	3.4
118.06473	2.3
119.04940	1.8
119.08553	7.3
120.04454	2.2
120.08072	11.0
121.10062	3.1
122.06004	33.1
127.03883	3.8
131.04933	2.0
133.10129	2.7
134.05981	7.9
135.11626	2.1
136.07556	100.0
137.05988	2.2
144.04434	9.0
144.08125	2.3
146.05962	12.7
147.04376	7.4
147.11633	3.3
148.07578	11.2
149.05931	1.7
149.09644	2.5
150.05466	2.7
152.06984	2.3
159.11610	2.3
160.03935	1.9
161.09503	2.2
162.05496	7.1
163.03821	1.7
164.07030	14.4
165.09071	2.5
166.08614	2.9
167.07098	6.8
172.02502	2.6
172.03891	34.8
172.07585	2.0
172.29175	1.9
173.04620	1.7
174.05487	2.4
176.07024	4.0
177.05455	2.3
181.04919	6.7
182.09698	2.6
184.09981	3.0
186.05475	3.0
189.09033	2.5
190.04924	24.0
191.05656	2.9
196.09944	2.3
197.10715	10.2
199.08650	2.0
199.12277	7.0
204.06511	38.6
204.10097	1.7
207.06493	3.2
207.09155	2.6
208.09889	2.4
209.10648	2.2
210.09192	2.8
211.08656	9.6
211.12221	3.1
212.09445	4.0
213.10173	2.1
221.10698	6.6
223.08617	7.4
223.12248	3.5
224.09407	7.4
225.10217	27.8
227.11734	37.1
235.08650	3.7
236.09369	9.5
237.10120	12.2
238.11064	7.4
239.11768	8.6
241.09621	10.0
241.13269	2.9
249.10155	15.8
250.07559	1.6
250.10883	6.0
251.08205	2.7
251.11696	16.5
252.08717	2.6
253.09685	24.4
255.11240	6.8
261.10248	2.7
262.10901	6.5
263.08014	7.4
263.11749	7.4
264.08905	10.8
265.09641	12.8
266.10434	3.8
267.11322	20.6
269.09122	1.9
269.09644	2.1
269.12839	33.0
271.10767	38.8
277.09631	19.6
278.10349	8.0
279.11203	26.7
280.11911	6.5
281.12698	6.2
283.10654	11.6
284.11438	8.0
285.12442	3.5
287.13852	20.1
291.07654	2.4
291.11227	13.4
292.08249	6.3
293.09116	8.0
293.12756	7.8
294.09824	2.3
295.10696	16.5
297.12311	14.4
300.11310	2.5
305.09006	7.8
307.10727	23.4
309.12296	8.2
313.11905	2.9
314.13028	3.0
319.10486	2.9
323.10175	36.3
324.11087	3.1
325.11856	13.7
326.12775	1.9
327.13474	10.1
328.10651	3.2
328.14307	2.3
329.11496	1.9
337.11768	7.6
338.12729	2.1
339.13391	7.7
340.14282	8.9
341.11328	26.8
342.12146	7.7
342.15845	2.9
343.13016	7.9
344.13895	2.0
352.14731	2.3
353.11166	2.4
354.12360	7.1
354.16071	3.7
355.12839	28.1
356.13699	11.3
357.14685	2.3
358.15442	3.6
366.12073	2.2
367.13107	6.3
368.13818	14.0
369.14493	6.9
370.15427	10.5
375.38229	1.9
380.13849	6.5
381.14539	3.6
382.11334	2.5
382.15466	9.0
383.11966	2.1
383.16583	2.6
384.12640	4.9
384.16934	8.0
386.18948	2.5
390.18329	2.4
395.88431	1.9
396.13309	8.3
397.14050	2.6
398.14569	16.7
399.15625	9.3
400.16458	7.7
407.12045	1.8
410.14871	8.6
412.16525	14.5
414.18375	6.0
416.15515	14.9
417.16196	2.3
424.16223	2.3
426.17841	2.9
428.15970	7.5
430.17569	3.4
438.14331	7.6
440.15863	8.3
442.17877	2.1
444.19537	5.0
446.17004	9.7
452.15625	2.5
456.15387	12.2
458.17007	7.7
460.18167	5.7
469.15521	1.9
470.17087	11.1
471.17529	3.0
476.18176	7.4
485.15356	6.6
487.17310	3.9
488.18027	33.9
489.18188	2.4
503.16589	16.0
517.18005	23.2
536.65686	2.0
545.21375	2.3
565.24194	6.4
567.21588	2.5
591.21814	3.1
593.23724	25.7
609.23297	84.3
610.23804	3.2
623.24561	3.1
625.25940	8.5
632.21484	2.4
641.25897	48.6
649.22058	10.0
650.23370	75.6
727.29419	2.3
771.28552	98.7
772.03448	1.9
772.28577	3.6
803.31000	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	5.1
67.05489	46.3
69.07050	11.0
71.07346	20.3
71.08632	2.7
79.05468	33.0
81.07041	44.9
83.08596	3.4
83.55337	2.0
86.09687	100.0
86.10184	4.6
91.05465	17.5
92.08983	20.1
93.07011	27.5
95.04924	3.0
95.08596	24.7
95.09125	2.2
105.07027	10.8
107.08582	10.8
109.10175	3.7
117.06922	3.2
118.14587	2.3
119.08549	9.1
121.10114	11.9
124.99968	5.4
133.10126	2.6
134.75935	3.2
135.11717	3.2
146.98160	93.0
184.07344	16.7
210.74417	2.5
231.71979	2.5
597.48193	3.3
619.46924	77.6
743.46057	61.5
802.53296	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	32.3
57.07066	57.9
57.48294	4.6
58.94110	4.7
67.05492	69.8
69.03404	6.8
69.07047	34.6
71.08605	63.6
79.05464	45.8
81.03387	11.5
81.07040	100.0
83.04970	13.1
83.08604	21.7
85.10149	27.2
86.09666	9.3
91.05447	42.6
93.07026	55.2
95.04941	9.5
95.08597	72.4
97.02869	6.9
97.06499	8.1
97.10128	6.7
105.07033	41.8
107.08545	27.4
109.10149	21.9
112.75597	5.0
117.07004	11.0
119.08556	33.6
121.10079	13.1
124.99989	8.7
131.08533	20.7
133.10124	11.4
135.11629	11.6
138.46161	6.1
143.08519	5.0
145.10109	19.3
147.11642	9.9
147.62297	5.8
149.09604	7.3
159.11629	10.1
184.07312	12.3
188.91107	5.5
239.23804	6.2
255.15846	10.4
269.17340	28.4
275.19952	27.9
278.26321	6.1
313.27243	96.2
349.23639	8.0
383.98068	5.7
446.08542	5.6
493.38516	13.3
507.40375	94.8
587.46362	35.6
721.91748	7.0
776.80017	5.6
798.07086	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	802.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	9.7
57.07071	1.9
59.04990	2.3
60.08152	1.4
61.02911	2.5
65.03922	1.7
67.05494	86.6
69.03413	1.7
69.07056	10.8
71.04977	22.2
79.05058	1.6
79.05475	30.7
81.03385	2.2
81.07034	42.1
83.04967	2.1
83.08587	6.3
85.02866	2.6
85.06508	2.1
86.09686	10.5
91.05458	30.8
92.08920	6.0
93.07018	40.3
95.04926	6.8
95.08575	30.0
97.06486	1.5
97.10132	1.3
105.04560	1.5
105.07014	19.5
107.08569	22.1
109.06499	2.3
109.10141	58.5
117.06972	5.3
119.08553	20.0
121.10133	13.7
123.11648	4.9
125.00011	9.4
128.06192	1.9
131.08543	4.7
131.19199	1.1
133.10100	20.3
135.11676	8.5
137.09584	9.2
137.13229	1.2
143.08510	5.1
145.10092	7.2
147.11662	4.6
149.13197	2.5
149.23923	1.2
151.11139	5.1
157.10066	1.8
159.11597	2.3
161.09651	9.5
161.13161	1.3
169.12341	1.7
173.11691	8.8
173.13121	2.4
176.89240	1.3
179.10585	2.5
184.07298	21.7
221.11627	1.3
229.14395	1.4
313.16132	1.9
335.25763	29.6
345.19086	21.3
397.31125	2.0
457.26340	1.2
471.34415	2.2
489.35687	100.0
573.38062	2.0
587.12213	1.3
605.40302	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	802.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03405	6.7
65.75819	6.4
67.05492	69.1
69.03393	8.1
69.07048	45.2
79.05474	49.5
81.03407	8.9
81.07018	67.6
83.04950	52.1
83.08604	25.0
91.05427	49.5
92.08887	7.5
93.07001	60.3
95.04947	27.3
95.08562	17.3
97.02865	15.3
97.06522	8.4
97.10140	10.4
99.04454	7.6
105.06995	28.9
107.04947	16.6
107.08554	42.2
109.10126	34.8
111.04423	63.0
111.08052	29.0
117.06998	15.2
119.08537	35.5
121.10115	38.5
123.08007	7.4
131.08556	14.5
133.10098	30.5
135.11662	33.7
145.10083	35.1
147.11661	9.3
149.58722	6.9
151.11201	9.9
151.78416	7.5
153.12759	27.3
163.01808	8.7
163.11159	62.0
181.12224	42.8
184.07265	9.9
191.10635	27.9
209.11707	14.8
223.13217	27.2
227.12749	38.1
234.26570	7.8
239.92578	7.3
257.43539	6.9
270.98846	7.3
283.15207	15.5
291.19504	97.9
315.17850	56.9
318.80978	8.6
319.57251	7.5
365.23148	50.4
507.29190	12.2
520.07678	7.5
573.33972	14.0
605.36920	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	802.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	19.5
57.07062	3.0
59.04980	1.2
61.02902	3.3
65.03918	3.1
67.05145	2.8
67.05498	79.5
69.03433	14.1
69.07052	37.3
71.04970	7.2
73.02901	2.3
75.10356	1.5
79.00200	1.3
79.05478	63.0
81.03397	22.5
81.07039	81.3
83.04958	13.8
83.08597	22.9
85.02900	29.0
85.06510	7.6
91.03988	2.0
91.05464	83.8
93.07021	72.2
95.04951	21.5
95.08595	34.9
97.02863	14.4
97.06517	18.3
97.10150	18.2
99.04442	2.7
99.08141	1.8
103.05453	3.1
105.04511	1.8
105.07014	72.4
107.04928	19.9
107.08578	51.7
109.02876	17.5
109.06503	15.0
109.10139	17.4
111.04420	3.1
111.08076	9.8
113.02355	53.5
113.09608	1.9
115.05435	2.1
116.81498	1.5
117.07008	22.0
119.04907	2.0
119.08558	42.3
120.34647	1.5
121.06496	16.5
121.10126	15.5
123.04369	2.7
123.08007	6.4
123.11687	7.8
125.09602	13.1
127.03884	6.7
128.06157	3.2
129.05438	7.6
129.06982	3.0
131.08546	27.0
133.06511	5.5
133.10106	100.0
135.08012	6.0
135.11621	11.3
137.09593	3.3
143.08548	11.6
144.09357	1.3
145.06429	2.5
145.10120	12.6
147.04378	2.3
147.08012	1.9
147.11649	10.1
149.09592	12.5
149.13174	5.1
151.11191	23.2
153.09070	2.8
157.10069	3.1
159.11671	13.6
161.09598	36.8
161.13243	5.6
163.11137	7.7
169.10057	2.3
171.07994	2.8
171.11769	2.2
173.13164	3.4
177.12642	4.9
179.09146	1.5
179.10641	35.8
179.14078	1.8
183.11693	2.5
186.06679	1.7
187.14838	2.0
189.09077	12.7
189.11195	5.3
195.13748	2.7
207.10098	15.9
207.11780	1.4
211.13208	6.1
213.80528	1.6
225.11223	6.7
227.12741	23.0
239.12717	2.7
239.17801	1.3
255.15829	5.1
257.18954	5.6
269.17480	13.5
275.19934	28.4
281.13495	1.4
302.30399	1.8
313.16397	70.5
331.22635	1.5
349.23657	38.7
413.21133	1.7
483.25659	7.0
493.28000	16.3
507.29456	63.9
520.98608	1.6
537.32330	1.8
555.32855	1.8
587.35736	48.2
605.37091	11.7
809.09875	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	19.5
57.07062	3.0
59.04980	1.2
61.02902	3.3
65.03918	3.1
67.05145	2.8
67.05498	79.5
69.03433	14.1
69.07052	37.3
71.04970	7.2
73.02901	2.3
75.10356	1.5
79.00200	1.3
79.05478	63.0
81.03397	22.5
81.07039	81.3
83.04958	13.8
83.08597	22.9
85.02900	29.0
85.06510	7.6
91.03988	2.0
91.05464	83.8
93.07021	72.2
95.04951	21.5
95.08595	34.9
97.02863	14.4
97.06517	18.3
97.10150	18.2
99.04442	2.7
99.08141	1.8
103.05453	3.1
105.04511	1.8
105.07014	72.4
107.04928	19.9
107.08578	51.7
109.02876	17.5
109.06503	15.0
109.10139	17.4
111.04420	3.1
111.08076	9.8
113.02355	53.5
113.09608	1.9
115.05435	2.1
116.81498	1.5
117.07008	22.0
119.04907	2.0
119.08558	42.3
120.34647	1.5
121.06496	16.5
121.10126	15.5
123.04369	2.7
123.08007	6.4
123.11687	7.8
125.09602	13.1
127.03884	6.7
128.06157	3.2
129.05438	7.6
129.06982	3.0
131.08546	27.0
133.06511	5.5
133.10106	100.0
135.08012	6.0
135.11621	11.3
137.09593	3.3
143.08548	11.6
144.09357	1.3
145.06429	2.5
145.10120	12.6
147.04378	2.3
147.08012	1.9
147.11649	10.1
149.09592	12.5
149.13174	5.1
151.11191	23.2
153.09070	2.8
157.10069	3.1
159.11671	13.6
161.09598	36.8
161.13243	5.6
163.11137	7.7
169.10057	2.3
171.07994	2.8
171.11769	2.2
173.13164	3.4
177.12642	4.9
179.09146	1.5
179.10641	35.8
179.14078	1.8
183.11693	2.5
186.06679	1.7
187.14838	2.0
189.09077	12.7
189.11195	5.3
195.13748	2.7
207.10098	15.9
207.11780	1.4
211.13208	6.1
213.80528	1.6
225.11223	6.7
227.12741	23.0
239.12717	2.7
239.17801	1.3
255.15829	5.1
257.18954	5.6
269.17480	13.5
275.19934	28.4
281.13495	1.4
302.30399	1.8
313.16397	70.5
331.22635	1.5
349.23657	38.7
413.21133	1.7
483.25659	7.0
493.28000	16.3
507.29456	63.9
520.98608	1.6
537.32330	1.8
555.32855	1.8
587.35736	48.2
605.37091	11.7
809.09875	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	6.1
57.07068	11.9
61.02904	6.7
62.65044	0.9
67.05495	33.0
67.62499	0.9
69.03412	21.2
69.07054	58.4
71.01321	0.9
71.04966	1.6
73.02905	1.9
79.05479	14.8
81.03405	8.1
81.07036	64.6
83.04971	2.0
83.08603	24.2
85.02892	53.3
87.04455	3.6
91.03967	2.0
91.05449	15.5
92.08853	1.7
93.07026	42.1
95.04947	1.7
95.08584	96.2
97.02871	17.8
97.10143	6.7
99.04460	3.7
104.32089	0.8
104.36005	0.9
105.07014	52.2
107.08575	68.6
109.02866	5.6
109.06506	1.6
109.10142	85.5
111.08078	1.3
111.11703	4.5
115.05435	1.6
117.06982	7.4
119.08559	99.4
121.06465	1.3
121.10120	46.9
123.08027	3.7
123.11687	32.8
127.03887	12.5
128.06226	1.1
129.06973	5.8
130.07753	1.6
130.30090	1.1
130.51622	1.1
131.08542	27.0
133.10109	51.3
135.08005	4.2
135.11671	33.9
137.09592	3.9
137.13239	21.6
141.06973	1.3
142.07809	1.9
143.08548	15.1
143.93633	1.2
144.09280	1.5
145.04941	11.8
145.10095	54.3
147.08057	1.4
147.11665	50.0
149.09566	4.0
149.13242	15.3
151.14807	2.0
155.08571	7.7
156.09286	1.6
157.10103	27.8
157.39743	1.1
158.10840	1.4
159.11662	38.5
161.09648	1.7
161.13219	36.0
163.11093	2.1
163.14792	9.6
165.16353	1.2
169.10104	12.2
170.10864	4.5
171.11670	28.3
172.12474	1.7
173.13213	29.6
175.11162	4.3
175.14793	15.4
177.16374	3.9
181.10013	1.1
182.10820	2.1
183.11627	16.3
184.12413	4.6
185.13235	25.8
186.14005	1.9
187.14781	51.4
188.11583	0.9
189.16351	77.6
191.17883	8.7
193.15866	1.2
195.11679	4.7
197.13251	15.9
199.14778	23.9
201.16350	38.6
203.14262	3.8
203.17915	8.9
205.15814	1.2
205.19556	2.3
207.17363	13.8
209.13216	6.6
210.97525	1.0
211.14818	15.8
212.15500	1.3
213.16364	15.2
215.14294	2.3
215.17909	15.5
217.15805	4.9
217.19429	13.1
219.17427	6.9
223.14781	4.5
224.15457	1.5
225.16374	14.7
226.16827	1.5
227.17897	19.7
229.19449	4.8
231.17471	1.3
233.19035	1.8
237.16391	4.9
238.17253	3.8
239.17834	10.4
241.19443	9.2
243.21062	4.5
245.18935	16.2
251.17900	2.3
252.18614	1.5
253.19496	10.1
255.20976	8.8
257.22571	5.3
263.20300	1.1
265.19446	2.0
267.21030	22.8
269.22653	4.9
271.20483	5.0
274.27545	2.3
279.21042	4.2
281.22488	8.8
283.24246	3.6
285.22079	14.4
293.22534	2.0
294.23340	1.6
295.24158	7.9
297.22662	1.1
297.25748	7.3
309.25635	2.0
313.24951	2.0
315.26831	2.1
321.25687	1.7
323.27307	16.1
335.27286	2.0
337.28876	1.2
341.28171	8.1
349.28787	5.4
362.29498	1.3
363.30200	2.1
405.35098	100.0
423.36121	57.1
447.27490	1.7
465.28366	21.4
508.56287	1.1
567.40106	2.3
585.41321	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65192	0.1
61.02908	0.1
63.54679	0.1
65.03921	0.5
67.01847	0.6
68.99773	0.2
71.04962	0.3
71.89182	0.1
81.03395	20.7
83.01288	0.1
85.02878	0.2
91.05459	6.7
97.02869	9.3
99.04427	4.0
109.02858	73.8
110.03128	0.1
119.04916	23.9
125.02393	0.2
125.16704	0.1
127.03888	29.1
139.03874	2.5
141.05449	0.2
147.04382	100.0
148.04694	0.7
157.06464	0.2
169.04918	29.2
187.07501	0.2
211.05989	2.7
255.06403	1.6
271.08078	0.3
273.07474	3.6
315.08557	9.6
331.10114	1.4
424.70181	0.1
435.12836	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.5
61.02910	7.1
67.05492	7.2
67.98574	0.3
69.03413	4.5
69.07059	0.8
71.04967	0.5
71.36105	0.3
73.02898	5.4
74.17505	0.3
79.05478	5.6
81.03413	2.5
81.07034	6.7
83.08593	0.6
85.02885	7.0
87.04446	0.3
87.87794	0.3
91.03932	3.7
91.05477	2.7
93.07018	5.7
94.07355	0.4
95.04949	0.5
95.08578	4.7
96.76673	0.4
97.02871	7.3
99.04443	0.8
101.02378	2.0
105.07038	2.1
107.08594	3.0
109.02881	0.8
109.10146	2.1
115.85020	0.4
117.07052	0.6
118.07482	0.4
119.08562	1.4
121.10104	2.4
127.03905	1.7
131.08562	1.5
133.10139	0.7
135.11676	1.3
145.04950	0.4
147.11705	0.4
149.13261	0.4
159.11720	0.4
160.96178	0.4
161.33015	0.3
184.07408	0.6
185.04189	0.8
243.08470	2.3
307.09161	0.5
335.25751	1.3
343.14523	0.3
376.80685	0.4
519.29211	10.2
662.85022	0.5
797.51569	100.0
798.51666	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	798.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05009	0.5
60.08154	8.9
67.05487	0.7
71.07367	4.0
77.28860	0.4
81.07024	0.9
82.74313	0.4
86.09689	50.2
91.24416	0.3
92.08648	0.7
92.09242	1.3
95.08524	0.5
98.98462	4.0
104.10710	3.0
121.10080	0.4
124.99976	32.0
143.00961	0.6
184.07303	100.0
185.07733	0.6
235.92809	0.4
275.13547	0.4
363.31131	0.4
380.34741	0.4
392.51352	0.5
505.53632	0.6
780.55365	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	797.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	34.1
57.03429	2.6
62.76899	2.0
67.05491	11.4
67.23034	2.1
69.03415	16.4
69.07051	2.9
79.05457	8.6
81.03396	35.9
81.07026	11.7
83.08607	2.9
84.96026	21.2
85.02896	3.4
86.09705	2.3
91.05441	14.6
92.09122	10.5
93.07019	11.4
93.48952	2.2
95.04942	8.4
95.08573	4.6
97.02860	8.2
98.97555	59.0
102.97104	2.0
103.00267	2.0
103.05445	2.1
105.03378	3.5
105.07009	9.5
107.04979	2.6
107.08559	8.1
109.02853	100.0
109.06474	2.3
109.10120	12.5
111.08102	3.2
115.03845	2.4
116.98595	90.8
119.04927	15.6
119.08553	8.0
121.10113	2.0
127.03911	4.1
128.98584	3.7
131.00151	3.2
133.06422	2.8
133.10091	3.7
134.99625	78.4
135.00612	3.3
135.08089	2.2
143.00209	3.4
146.99640	3.6
147.04388	64.4
149.01198	2.3
149.09630	3.0
152.30766	2.0
153.00710	13.2
155.00116	4.7
157.01740	3.6
157.10094	3.0
158.99634	3.0
159.11642	2.1
160.97552	2.1
161.01160	3.1
163.11127	2.5
165.00636	2.3
167.06937	3.9
173.01215	10.9
175.02757	3.7
177.00713	9.4
182.99615	4.8
185.01137	17.2
189.00668	2.5
191.02208	3.6
193.12282	3.5
194.99458	2.5
201.00641	29.7
203.02278	18.5
213.00714	13.4
213.04337	3.2
219.01755	17.9
221.01262	2.7
223.02650	2.3
225.00633	2.8
229.14325	2.5
231.01799	4.6
237.39777	2.6
239.02237	27.4
243.01697	25.7
253.03893	8.4
257.03262	43.0
261.02744	27.1
263.02145	17.5
265.03891	3.3
267.01724	14.3
267.15942	2.6
281.03281	16.0
283.04868	8.7
285.02637	15.9
289.03967	2.5
299.04391	9.1
303.03949	11.3
305.03192	2.7
317.03351	3.4
323.04373	4.3
335.04294	3.4
345.04965	8.8
359.04318	3.9
371.04156	4.5
377.05371	10.6
389.05396	4.6
407.06409	3.2
413.05804	2.4
431.06445	15.1
449.07263	18.5
467.08496	4.6
473.07635	7.6
491.08627	21.8
533.09479	40.5
727.99658	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70601	0.8
56.96555	29.7
57.27634	0.8
59.06104	1.5
61.69676	0.8
67.05480	6.0
67.89132	1.0
69.03415	16.5
79.05460	2.3
81.03399	30.5
81.07049	2.3
83.04961	2.3
83.08605	1.4
84.96014	23.4
85.02895	1.8
91.05455	7.1
91.28054	0.9
93.07013	5.1
95.04934	4.0
95.08567	2.1
97.02884	2.4
97.06493	1.3
97.10117	1.3
98.97559	59.1
102.97054	4.7
103.05446	1.4
105.03349	1.2
105.06995	4.9
107.08564	1.7
109.02860	100.0
109.06453	1.5
109.10104	2.1
110.97542	1.9
115.03923	4.1
116.98595	77.1
117.06969	1.4
119.04923	12.1
119.08533	4.9
121.10120	2.5
123.04443	1.3
124.95487	1.0
127.03885	5.5
128.98555	5.3
129.06924	1.6
131.00117	1.9
133.10112	2.1
134.99631	63.2
139.00601	1.4
142.96548	1.5
143.00098	2.3
145.10127	1.7
146.99620	6.5
147.04390	52.7
147.11673	1.4
149.01176	1.6
153.00670	12.4
154.07695	1.1
155.00156	4.7
157.01723	4.9
158.01312	1.3
158.99629	4.2
160.97546	1.5
161.01216	6.2
163.03899	1.5
163.11183	1.9
165.00648	1.4
167.06995	1.3
170.99614	2.1
173.01189	10.6
173.83035	1.0
175.02704	1.5
177.00699	7.7
182.99649	7.0
185.01178	11.8
189.00662	5.6
191.02258	5.8
194.99661	1.7
195.01743	2.4
197.01154	2.4
201.00658	32.3
203.02214	13.0
211.02702	4.7
213.00674	14.5
213.04321	6.4
215.02255	4.1
219.01691	12.8
221.01180	2.6
221.03259	2.0
223.02747	1.8
225.00731	5.0
227.02211	4.6
231.01663	7.6
233.03424	1.5
239.02208	20.3
243.01712	28.6
245.01117	2.5
245.03419	1.5
253.03786	4.9
255.01765	2.5
257.03259	38.3
261.02731	30.6
263.02252	22.2
264.12247	1.3
265.03754	5.8
267.01675	13.3
267.15799	4.8
269.03235	1.7
273.02890	1.3
277.03738	2.1
279.01563	2.2
281.03265	22.7
283.04932	5.6
285.02670	16.0
293.03116	1.5
295.04782	6.3
299.04410	9.4
303.03824	11.0
305.03308	6.8
317.03149	5.4
323.04279	8.8
327.03720	7.5
334.81549	1.3
335.04208	4.1
345.04800	8.1
347.04288	1.7
353.05475	1.5
359.04227	5.4
361.05823	1.4
365.05490	1.7
371.04181	7.1
377.05292	9.5
387.05930	5.6
389.05356	8.7
401.05591	1.5
403.06677	1.2
407.06412	4.4
413.05112	5.5
429.06946	1.3
431.06244	8.1
449.07541	20.3
459.27219	1.8
467.08401	5.5
473.07391	8.5
491.08618	21.3
509.09723	2.1
533.09564	42.8
544.68298	1.2
570.11426	1.2
604.06506	1.2
675.85071	1.2
700.06506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.6
57.07058	0.8
58.41287	0.6
61.02910	9.1
64.57340	0.6
67.05489	11.0
69.03403	4.9
69.07049	3.1
71.04958	0.9
73.02898	5.2
73.84417	0.6
79.05452	3.9
81.03357	1.1
81.07037	7.6
81.26776	0.7
83.04951	0.9
83.08598	3.6
85.02886	6.5
85.06502	0.6
85.95051	0.6
91.03930	5.3
91.05466	3.0
92.08912	4.8
93.07007	6.2
95.04917	0.9
95.08582	4.6
97.02858	7.6
99.04433	0.9
101.02317	1.3
105.06998	2.7
107.08572	3.8
109.02841	0.8
109.10147	7.7
119.08560	1.4
121.10115	2.6
124.99925	0.8
127.03878	2.9
159.11601	0.9
165.31694	0.7
173.11681	1.6
185.04178	1.0
195.09860	1.3
196.89494	0.7
229.14284	1.2
243.08263	3.2
335.25644	1.0
413.17654	13.5
519.29230	12.1
691.40118	100.0
692.39722	3.3
723.60242	0.8
795.44836	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	796.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07030	0.5
60.08152	7.8
62.33063	0.5
67.05458	2.1
69.07048	0.9
71.07351	4.2
79.05466	0.7
81.07038	1.1
83.08612	0.5
86.09689	41.9
92.08984	4.7
93.07005	2.5
98.98435	3.7
104.10718	2.1
105.07000	1.1
105.62112	0.5
107.08593	1.9
109.10140	0.7
110.99529	0.5
119.08521	0.6
119.32628	0.5
124.99979	28.3
133.10091	0.6
179.07384	0.6
184.07306	100.0
325.35507	0.6
476.54816	0.6
501.72519	0.5
507.39880	0.9
778.53729	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	795.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.3
57.57845	0.9
59.69048	1.0
60.08170	1.1
61.02916	5.4
67.05485	7.7
69.03410	2.6
69.07064	1.6
71.04948	1.4
73.02891	7.1
79.05479	6.6
81.03407	2.8
81.07025	8.4
83.08600	1.5
85.02879	7.1
86.09687	1.8
91.03938	1.3
91.05479	6.6
93.07014	6.8
95.08566	3.1
97.02875	7.1
105.07022	7.4
107.08575	2.1
119.08551	1.9
121.10065	1.3
131.08632	1.6
133.10066	2.5
141.28246	1.2
147.11612	2.0
149.09592	2.0
168.47421	1.3
175.11140	1.6
184.07262	7.0
212.87251	1.1
243.08276	5.3
261.89621	1.2
283.15033	2.3
301.08926	2.0
354.25125	1.3
440.42795	1.4
501.22830	19.1
535.29352	8.7
709.31244	2.1
795.45038	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	795.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.7
57.07062	1.1
61.02919	9.3
67.05494	13.9
69.03410	5.2
69.07047	5.4
71.04959	1.5
73.02899	2.8
76.11015	1.0
79.05461	2.6
81.03407	2.4
81.07027	7.2
83.08590	1.0
85.02882	6.5
87.04456	2.6
91.03938	2.8
91.05450	5.1
92.08952	5.9
93.07021	4.9
95.08585	6.4
97.02877	4.0
97.10113	1.3
101.02349	1.3
102.54420	1.1
105.07005	2.1
107.08565	1.6
109.10133	12.3
119.08526	2.0
121.10078	1.6
127.03877	2.0
139.06372	1.2
153.48839	1.3
173.11736	4.4
184.07346	2.3
184.40817	1.2
201.92073	1.1
209.12915	1.3
229.14276	2.0
243.08354	1.4
413.17792	16.2
505.38440	2.2
511.34830	1.2
519.29004	7.5
691.40222	100.0
692.39807	1.3
795.44513	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69326	0.8
64.13995	0.8
67.05489	3.7
69.07056	1.5
75.10710	0.8
79.05470	1.1
81.07052	2.1
81.71722	0.8
83.08606	0.9
91.05489	1.1
92.08960	4.8
95.08613	0.8
96.53419	0.9
101.27369	0.9
108.40522	0.8
183.61081	0.9
298.97009	1.1
327.93500	0.9
461.95691	1.0
505.39148	1.1
587.46246	0.9
691.40424	3.8
795.42725	100.0
796.43225	1.5
801.12457	1.1
826.21930	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	4.7
61.02916	8.5
67.05503	7.2
69.03423	2.7
69.07063	1.5
73.02918	2.7
79.05492	5.8
81.03413	7.5
81.07040	5.8
83.04971	2.3
85.02880	11.0
86.09692	2.9
91.03946	6.0
91.05450	2.2
92.09051	1.3
93.07036	6.6
95.04939	1.4
95.08587	1.9
97.02870	9.4
99.04439	2.0
101.02340	1.4
103.21281	1.2
105.07023	2.3
107.08530	1.7
109.10132	1.4
117.05531	1.6
119.08567	1.8
121.10146	2.3
123.04176	1.2
125.00029	1.4
127.03947	1.5
129.05490	1.7
133.10126	1.4
184.07312	12.7
185.04250	5.0
185.80728	1.1
193.12305	1.3
201.03685	1.3
223.13292	1.7
243.08461	6.4
251.12688	1.5
301.08844	15.6
315.10376	2.5
349.16272	1.9
373.11115	5.2
383.17029	1.7
385.18341	6.6
413.17776	4.5
429.17227	1.8
439.19641	1.5
443.19031	2.1
469.20389	13.7
481.20261	7.4
499.21872	1.5
541.22449	9.6
551.28265	2.1
623.30304	2.6
640.23029	1.4
667.33319	2.9
709.33893	15.0
795.41132	100.0
796.42047	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	795.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90710	1.1
57.03421	5.2
61.02915	7.4
67.05491	5.8
69.03419	1.5
69.07059	1.1
71.05001	1.1
73.02886	4.0
79.05472	5.0
80.36433	1.1
81.03423	4.8
81.07057	6.2
83.04918	1.2
83.08608	1.0
85.02889	10.0
91.03959	3.7
91.05461	4.4
93.07047	5.9
95.04973	1.8
95.08611	4.1
97.02892	6.3
97.06534	1.7
98.66441	1.0
99.04427	2.1
101.02371	2.5
105.07011	2.4
107.08577	1.8
119.08560	3.8
121.10143	1.2
127.03931	1.8
129.06963	1.2
131.08597	1.6
133.10121	1.5
135.08070	1.5
135.11685	1.8
137.06009	1.1
149.02373	2.1
156.44383	1.1
168.73517	0.9
184.07283	2.1
185.04213	2.3
193.04918	1.3
194.05345	1.4
200.20132	1.3
213.66687	1.0
243.08360	4.1
266.24942	1.0
283.19931	1.4
301.08945	10.2
331.18732	1.3
333.20273	2.0
373.11090	1.4
385.18106	1.6
424.15616	1.4
431.23505	1.1
439.19046	8.4
443.18994	1.1
469.20465	4.9
487.22250	1.7
541.22681	5.2
551.28223	5.9
623.30768	2.0
667.32886	7.8
777.39978	2.3
778.76611	1.3
795.41180	100.0
796.41431	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	794.5336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.6
57.07061	0.7
60.07866	0.4
60.08151	9.8
67.05495	3.9
69.07047	3.4
71.07352	3.9
71.08598	0.6
79.05461	2.6
80.33688	0.3
81.07033	3.5
83.04946	0.3
83.08576	2.2
86.09685	48.9
87.04431	0.6
91.05433	0.7
92.08985	2.2
93.06995	1.9
95.08579	2.0
97.10114	0.7
98.98428	5.3
104.10716	3.4
105.06989	1.8
107.08564	1.7
109.10117	1.5
117.06953	0.8
119.08572	0.6
121.10103	0.6
124.99973	34.4
131.52843	0.3
133.10049	0.4
143.00990	0.6
145.10049	0.4
163.11157	0.4
184.07295	100.0
219.17149	0.4
243.85501	0.4
267.15332	0.3
311.25723	0.4
384.75293	0.4
391.53488	0.4
505.38824	5.9
587.46936	2.6
596.43732	0.6
605.47058	0.7
767.70569	0.4
794.53180	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	794.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.5
57.03420	2.3
57.07064	2.2
60.08158	8.0
61.63052	0.4
67.05497	11.7
69.07057	6.5
71.04980	0.4
71.07372	4.0
71.07706	0.4
71.08608	0.8
79.05478	5.9
81.07043	13.1
83.08618	4.3
85.82159	0.4
86.09695	46.9
87.04455	0.7
87.10072	0.4
91.05463	2.8
91.06028	0.4
92.08865	3.3
93.07019	7.3
95.04910	0.7
95.08593	8.9
97.06499	0.5
97.10151	2.5
98.98441	4.0
104.10731	2.3
105.07031	4.0
107.08581	5.3
109.10134	3.2
117.07014	0.6
119.08550	2.3
121.10155	3.3
123.11663	1.6
124.99981	31.9
131.08553	1.0
133.10086	1.6
135.11644	1.9
143.01103	0.6
145.10138	0.8
147.11700	0.9
149.13251	0.9
151.11118	0.6
159.11607	0.7
161.13260	0.5
163.14748	0.6
177.64825	0.6
184.07314	100.0
240.22034	0.5
261.22147	1.8
335.25684	4.9
337.27338	5.0
339.28815	0.4
382.34668	0.5
457.81964	0.5
505.38583	2.5
506.40457	0.4
587.46259	4.9
597.48328	2.6
615.49347	2.2
776.52051	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	794.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03173	0.8
57.03430	15.0
57.07072	0.7
57.17526	0.5
57.75354	0.5
59.04976	2.3
61.02904	2.8
64.89484	0.5
65.03932	0.5
67.05138	1.0
67.05492	23.5
68.79173	0.5
69.03413	5.6
69.07059	7.8
71.04989	4.3
73.02882	0.9
74.42231	0.6
76.47816	0.5
79.05471	25.3
80.05352	0.5
81.03400	49.1
81.07037	29.3
83.01344	0.6
83.04962	15.1
83.08599	19.8
85.02890	28.2
85.06526	1.3
87.04473	0.7
90.47374	0.6
91.05460	34.8
92.08665	2.0
92.09287	2.6
93.07021	22.2
95.01296	1.1
95.04951	22.9
95.08579	11.6
97.02872	7.7
97.06498	3.5
97.10135	3.2
99.04443	1.0
99.08048	0.8
103.05429	2.8
105.03378	8.2
105.07011	29.3
107.04942	9.9
107.08573	12.5
109.02873	7.4
109.06490	6.2
109.10126	5.1
111.04421	4.9
111.08064	9.0
113.02347	14.0
113.05978	2.0
115.03873	1.0
115.05422	2.3
117.07004	5.9
119.04916	3.9
119.08549	22.6
121.02896	1.9
121.06480	8.8
121.10124	9.0
123.04417	1.3
123.08037	3.8
123.11685	3.0
125.02295	4.3
125.05966	1.1
125.09550	1.2
126.00185	0.6
127.03920	2.3
127.07494	0.7
128.06189	2.9
129.05489	0.6
129.06978	12.1
131.03368	0.6
131.08531	11.9
133.06503	4.5
133.10104	25.7
135.04318	0.9
135.08017	2.9
135.11674	1.0
137.02325	3.6
137.05948	2.7
137.09579	3.6
139.03873	4.5
141.01804	2.4
142.07780	1.2
143.03328	0.7
143.08542	6.3
145.06483	1.1
145.10086	4.2
147.04359	3.9
147.08038	6.1
147.11670	11.2
149.05899	0.8
149.09612	5.8
151.03886	1.2
151.07536	1.0
151.11180	6.9
153.09113	0.6
155.03342	0.8
155.08519	0.7
157.10097	10.6
159.08174	0.6
161.09583	20.2
163.11118	1.1
165.05376	0.8
165.12704	2.8
167.07018	3.7
171.07999	4.4
175.11163	11.5
179.10612	7.1
181.04916	0.7
189.09074	17.3
191.10582	0.7
193.12193	29.8
193.13945	1.1
199.07442	2.6
203.10594	0.8
207.10094	7.0
211.13255	32.5
217.08574	5.2
221.11739	0.8
225.11234	0.8
227.12706	0.6
235.09627	8.9
235.83304	0.7
239.12755	0.7
249.11136	4.1
253.10628	3.4
263.09079	0.8
267.08652	0.6
267.15836	10.0
275.19852	0.6
277.10699	0.7
281.10022	1.1
285.16898	25.5
295.11740	1.1
296.90509	0.6
338.88943	0.7
342.02130	0.7
369.10846	1.1
369.15356	24.6
381.94843	0.6
387.16354	12.3
392.82965	0.6
476.83478	0.6
543.25513	1.2
561.26849	11.6
579.27887	100.0
580.27911	3.7
597.28931	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	794.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	15.8
59.05009	0.5
61.02907	5.6
62.77190	0.4
69.03411	17.9
71.01322	2.0
71.04957	0.9
73.02898	29.1
77.59622	0.4
79.05459	6.5
81.03401	9.6
85.02883	33.3
85.73341	0.4
87.04458	1.5
89.19077	0.3
91.05457	67.3
95.04947	4.5
97.02868	32.0
97.03412	0.4
99.04417	2.1
103.03902	0.5
103.05421	1.9
105.03367	78.7
105.07014	3.7
106.03697	0.5
107.04937	32.0
109.02855	8.4
115.03138	0.9
115.03900	14.2
115.05405	0.6
115.81361	0.5
117.06976	1.7
120.05691	0.5
123.04389	11.1
127.03895	12.3
129.06973	0.6
131.04932	0.6
133.04941	3.1
133.06424	1.9
135.08028	12.7
140.04680	0.7
143.08542	0.5
145.04929	6.7
145.06477	1.0
150.07590	2.3
154.06160	2.0
155.06967	0.5
161.04422	2.3
162.07666	0.5
163.06071	1.6
163.07491	20.3
167.05611	0.8
167.06999	18.4
169.04881	0.8
180.07776	2.2
185.96167	0.4
187.07454	0.5
194.73514	0.4
195.10124	100.0
205.08675	0.7
213.11206	2.2
217.08598	2.1
223.05943	1.0
231.06464	0.9
235.09554	1.8
241.07051	2.1
249.07489	11.3
253.10655	7.3
259.08130	3.3
267.08554	27.2
271.11774	4.1
271.57678	0.5
288.14380	0.6
295.10178	8.5
389.14243	2.1
420.18567	5.7
639.40161	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97440	1.1
67.05489	1.2
69.07056	1.6
79.05473	1.6
81.07014	1.2
85.02887	1.8
86.09698	1.8
92.08883	9.7
101.82924	1.1
103.13742	1.3
121.10150	1.4
125.00011	2.4
184.07393	5.7
535.76599	1.3
614.42242	1.4
706.13263	1.5
792.46289	6.7
793.40991	100.0
794.40906	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18816	0.6
67.05480	1.4
73.02850	1.0
75.05544	0.7
76.91763	0.6
78.28278	0.7
81.07032	1.1
83.08551	0.7
86.09686	0.9
91.05444	1.2
92.08619	1.7
92.09249	5.2
95.08564	1.7
119.08554	0.9
149.28745	0.7
184.07220	0.9
238.93376	0.8
266.15872	0.7
278.43298	0.9
320.53851	0.9
792.47180	0.9
793.40967	100.0
794.40985	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	794.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29342	0.3
61.02926	0.3
65.03927	4.4
67.05489	2.3
69.03411	3.5
69.96405	0.3
71.04974	0.6
73.02881	0.4
75.04479	0.7
78.04681	0.6
79.05481	5.0
81.03388	4.1
81.07045	2.0
82.04191	1.3
82.58749	0.3
83.04984	0.5
85.02886	7.7
89.03848	0.4
91.05459	9.2
92.08756	1.4
93.03371	2.0
93.07034	1.8
94.04180	0.4
95.04966	4.8
95.08582	0.8
97.02877	1.6
97.06516	2.1
99.04443	0.6
103.05447	24.1
105.03373	3.7
105.04521	0.4
105.07023	10.1
106.04156	3.1
107.04942	10.9
107.08608	0.5
108.02108	0.5
109.02799	1.0
109.06500	2.2
110.03683	2.7
111.04428	2.2
115.05431	7.5
116.06229	0.4
117.06995	6.2
118.04136	6.4
119.04921	6.2
119.08521	0.6
120.05671	0.4
121.02820	0.6
121.06493	4.4
121.10134	0.4
122.03633	1.6
123.04410	7.1
123.08053	0.5
124.05219	3.2
125.05970	4.5
127.03909	0.7
127.05470	0.3
127.07518	0.4
128.06177	0.6
129.06985	2.6
130.04134	2.4
131.04901	30.6
131.08522	2.1
132.05676	2.1
133.02808	4.2
133.05533	0.7
133.06474	11.2
134.03583	1.5
135.04376	0.5
135.08051	2.6
137.05957	19.2
138.03098	1.9
139.07556	1.3
140.04724	0.4
141.06963	1.3
141.14087	0.4
142.02597	0.8
143.04930	2.5
143.05907	0.4
144.05676	2.9
145.06461	9.0
146.03610	0.6
146.07245	1.4
147.04382	8.6
147.08067	4.2
148.05173	12.9
149.05951	8.3
151.03885	10.8
151.04999	0.8
151.07457	2.8
152.04674	2.8
153.05458	5.4
153.09062	0.6
155.04855	0.4
155.05936	1.2
156.05655	0.6
157.06483	1.8
158.03615	0.5
158.07159	0.4
159.04379	0.7
159.08025	3.0
160.05188	2.9
161.05949	14.0
162.06699	0.7
163.03873	0.6
163.07503	32.1
165.05528	2.9
165.09071	0.8
167.07002	73.9
168.07416	0.4
169.07623	0.4
171.04369	0.6
171.06522	6.2
172.05113	0.6
173.05957	10.2
174.06731	1.7
175.03853	0.4
175.07501	8.4
176.04649	3.2
176.05960	0.4
177.05432	5.2
177.09064	1.9
178.06165	0.4
178.07632	0.4
179.06992	5.4
179.08476	0.5
181.04924	100.0
182.05278	0.4
183.06516	0.5
185.06010	0.5
186.06737	0.6
187.07494	5.9
189.05470	1.4
189.07115	0.4
189.09012	0.7
190.06195	3.2
191.06995	96.7
192.07471	1.4
193.04901	0.9
193.08582	5.2
194.07236	0.5
195.06448	4.2
201.05371	3.1
201.09093	0.7
202.06166	0.8
203.07004	6.4
203.08687	0.4
204.07748	0.4
205.06615	0.7
205.08524	8.3
206.05675	0.7
207.06456	2.1
207.08113	0.8
207.10112	2.3
209.06108	0.6
209.08051	13.9
209.09869	0.8
211.29785	0.4
213.05432	0.4
217.08539	5.7
219.06323	0.6
219.08051	1.6
219.10136	5.7
220.07222	0.7
221.06071	0.5
221.08087	1.6
222.06772	0.5
223.09511	0.6
229.08530	0.9
231.06285	0.7
233.08006	6.3
234.06694	0.5
235.07437	2.9
235.09616	7.8
236.08232	0.8
237.09085	1.3
239.10704	0.4
241.08641	0.6
245.07993	2.2
247.07474	0.8
249.09047	0.7
251.06909	1.4
252.07654	1.7
255.10275	0.4
257.08090	0.8
263.09100	28.8
264.07620	0.7
265.08517	1.4
265.10977	1.0
267.10086	5.0
269.07953	0.5
269.11539	0.6
271.09329	0.5
277.08472	0.6
278.05673	0.4
279.10043	0.9
281.08078	0.5
283.09619	1.4
293.08014	0.8
295.09573	2.1
296.10291	0.4
297.11142	1.8
299.12827	0.5
307.09488	1.8
309.10825	0.4
311.09061	0.4
313.10522	0.9
323.08881	0.6
325.10684	3.9
327.12250	0.9
329.10007	0.4
329.13718	0.6
331.11584	0.7
335.08911	0.4
337.10712	1.4
339.12225	0.8
353.09973	0.7
355.11633	1.5
357.13205	7.2
359.14697	2.1
367.11670	2.3
369.13098	1.9
371.14651	1.5
379.74915	0.3
381.13260	0.5
385.12708	12.8
387.14270	4.3
399.14383	5.0
417.15344	36.2
443.10022	0.4
515.21973	0.4
547.19470	0.5
579.22003	1.4
679.61456	0.5
720.09351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.7
60.20829	0.9
67.05492	5.4
71.04993	0.9
71.55109	0.9
73.02911	1.5
79.05474	4.2
81.03426	1.5
81.07035	2.3
83.08612	1.1
85.02899	1.1
86.09690	2.1
91.05460	1.7
92.09078	1.0
93.07028	2.2
95.04954	1.6
95.08604	1.8
100.44545	1.1
105.07037	5.1
107.08561	1.4
109.10136	1.0
119.08546	2.2
135.08047	1.2
147.62793	1.0
184.07364	5.1
187.11401	1.1
348.16611	1.0
430.82748	1.1
523.82129	1.2
598.91315	1.1
793.37640	100.0
794.38153	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.7
60.20829	0.9
67.05492	5.4
71.04993	0.9
71.55109	0.9
73.02911	1.5
79.05474	4.2
81.03426	1.5
81.07035	2.3
83.08612	1.1
85.02899	1.1
86.09690	2.1
91.05460	1.7
92.09078	1.0
93.07028	2.2
95.04954	1.6
95.08604	1.8
100.44545	1.1
105.07037	5.1
107.08561	1.4
109.10136	1.0
119.08546	2.2
135.08047	1.2
147.62793	1.0
184.07364	5.1
187.11401	1.1
348.16611	1.0
430.82748	1.1
523.82129	1.2
598.91315	1.1
793.37640	100.0
794.38153	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	29.1
57.03178	1.0
57.03430	19.2
57.07070	5.5
61.02915	7.4
62.26084	0.7
64.02713	0.6
65.03914	4.3
67.05492	97.3
69.03406	1.3
69.07055	23.1
71.04958	1.6
73.02900	0.8
77.03880	0.8
79.05473	67.2
80.06332	0.7
81.07040	100.0
83.04935	1.3
83.08608	10.3
85.02875	3.9
85.06533	1.1
91.03963	0.7
91.05462	43.5
92.64053	0.7
93.07025	80.2
95.04953	7.1
95.08585	75.9
97.02847	3.1
97.06504	3.2
97.10143	3.7
99.08057	1.0
100.68568	0.7
105.04524	1.3
105.07013	31.6
107.08579	40.2
109.06473	1.5
109.09389	1.2
109.10141	31.1
111.08051	1.1
117.06995	10.8
119.08565	23.8
121.10123	26.0
123.08007	1.2
123.11675	7.9
128.06172	0.9
129.06993	1.8
131.08540	17.6
133.10110	20.2
135.11664	16.7
137.09604	1.1
137.13239	1.6
143.08543	1.7
145.10098	12.8
147.11678	11.9
149.13254	10.1
157.10063	1.6
159.11668	8.5
161.12016	0.7
161.13231	7.7
163.14777	3.4
169.10002	0.8
171.11684	3.0
173.13245	7.8
175.14812	4.5
177.16293	1.0
185.13231	1.1
187.14850	3.1
189.16246	1.2
201.16377	1.5
205.87711	0.8
217.19453	1.0
241.19591	1.4
243.21091	4.0
259.20517	4.3
261.22104	15.8
265.30167	0.9
317.24973	1.0
333.24316	6.5
335.25742	72.1
337.27203	7.1
395.94284	0.8
595.47180	12.3
613.48053	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	792.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.3
57.03405	0.6
57.07058	1.0
59.23996	0.5
60.08146	8.2
67.05492	6.2
69.07047	5.3
71.07348	4.0
76.11248	0.6
79.05464	2.5
81.07035	5.2
83.02921	0.5
83.08602	2.6
86.09689	49.7
91.05454	2.6
92.09003	6.6
93.07011	2.3
93.42437	0.5
95.08588	1.4
97.06547	0.8
98.98444	4.3
104.10715	3.1
105.07001	2.3
107.08563	2.6
109.10094	1.0
109.48348	0.5
117.07018	0.9
119.08576	0.8
121.10122	1.1
124.99971	37.0
131.08542	0.8
133.10066	0.6
143.01025	0.6
145.10143	0.7
184.07298	100.0
237.28923	0.6
261.38037	0.6
465.35608	1.0
505.38779	3.0
585.45099	2.9
603.45758	1.0
622.27936	0.8
792.51819	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	792.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	15.4
55.05503	39.6
57.03423	21.4
61.02913	2.6
65.03935	2.0
67.05493	69.1
69.03422	11.9
69.07052	32.8
71.01344	1.6
71.04974	5.9
73.02888	2.2
79.05472	64.6
81.03400	100.0
81.07038	72.9
83.04958	20.0
83.08601	31.7
85.02884	7.7
85.06532	7.3
86.09680	6.3
91.05458	61.3
92.08746	4.9
92.09330	3.0
93.07027	67.0
95.04947	45.6
95.08588	30.6
97.02875	7.8
97.06505	12.6
97.10151	20.2
97.89294	1.4
99.08038	2.2
103.05423	1.9
105.03377	3.1
105.07015	54.7
107.04923	17.6
107.08568	42.1
109.02876	2.2
109.06512	9.0
109.10140	18.5
111.04448	2.1
111.08056	14.6
115.05428	1.9
117.07017	21.8
118.89254	1.5
119.04861	2.5
119.08553	43.6
121.06481	9.9
121.10119	28.4
123.08006	6.1
123.11674	3.0
124.99943	3.0
125.09595	13.8
128.06198	3.3
129.06981	23.6
130.07692	1.9
131.08536	29.9
133.06448	3.5
133.10097	28.6
135.08037	7.1
135.11687	13.0
135.23872	1.5
137.09566	6.2
139.11151	1.9
141.06943	2.8
142.07794	3.3
143.08539	8.1
145.06435	2.8
145.10106	22.7
147.04370	9.1
147.08025	7.7
147.11678	22.0
149.09616	21.6
149.13235	6.8
151.11150	2.1
155.08498	2.9
157.10062	14.7
159.07983	2.2
159.11676	12.4
161.09596	1.9
161.13248	3.4
163.11125	9.8
168.90128	1.7
169.10097	7.8
171.11667	6.2
173.13260	2.7
175.11163	10.9
181.09950	1.7
183.11674	3.2
184.07289	20.2
185.13251	2.9
189.11230	5.6
193.12196	27.4
193.32629	1.6
197.13258	2.3
201.12868	1.6
211.13225	2.9
217.15926	1.9
227.12773	9.4
255.15875	7.3
257.18961	2.4
267.15860	51.2
269.17407	12.8
275.20001	13.6
285.16946	1.7
349.23642	14.4
369.24365	1.7
421.25842	1.9
437.25198	2.0
443.27802	3.3
447.27496	17.3
449.30283	1.9
451.53918	1.5
461.28897	57.7
477.29019	1.9
479.29874	6.8
541.35138	45.6
559.36041	22.9
577.36450	2.6
793.38989	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	10.8
55.05504	34.9
57.03426	28.2
57.07063	1.7
59.04985	2.4
60.48563	1.0
61.02902	4.8
65.03927	1.5
67.05489	79.0
69.03416	15.8
69.07051	32.7
71.04967	9.6
79.05470	67.7
81.03397	95.2
81.07034	100.0
83.04958	23.7
83.08112	1.8
83.08598	42.3
85.02887	41.4
85.06505	7.1
91.05454	66.0
92.08739	4.0
92.09335	2.4
93.07020	60.8
93.94366	1.1
95.04948	42.9
95.08582	42.1
97.02865	14.7
97.06503	14.3
97.10155	10.3
99.04428	4.9
99.08060	2.1
102.26618	1.0
105.03368	92.0
105.04523	5.0
105.07005	52.7
106.03720	2.4
107.04927	21.7
107.07856	1.9
107.08569	41.5
109.02832	9.5
109.06497	14.9
109.10126	31.5
111.04445	2.3
111.08047	14.5
113.05964	4.2
115.05424	1.6
117.06991	12.8
119.08557	48.9
121.06470	6.5
121.10112	26.9
123.04417	8.3
123.08021	6.2
123.11641	8.0
125.09595	6.6
127.03888	5.8
127.58901	1.0
129.06978	17.6
131.08536	29.4
133.06454	6.3
133.10097	36.6
135.08009	5.0
135.11668	13.3
137.05939	1.8
137.09578	5.9
141.06958	1.8
142.07779	5.7
143.08542	4.2
144.09337	1.0
145.04906	1.1
145.10091	15.9
147.04366	4.3
147.08046	6.4
147.11656	26.9
149.09590	16.5
149.13194	9.2
151.11115	2.4
153.09053	1.4
155.08572	1.2
157.10121	21.4
159.07954	1.8
159.11662	10.7
161.09587	3.9
161.13268	1.6
163.11154	12.7
165.12741	4.5
167.07030	1.6
169.10086	1.4
171.11694	1.4
173.11655	4.0
173.13208	4.2
175.11145	19.8
175.14786	4.0
177.12697	5.8
179.10739	1.2
179.14302	1.3
181.04849	1.6
183.11671	1.3
184.07248	1.6
187.11052	1.2
189.09219	1.5
191.10626	1.5
193.12207	48.3
195.13672	2.1
197.13246	1.8
211.13249	44.7
220.98190	1.1
221.15204	1.1
227.12752	9.4
229.14256	9.5
249.07561	11.2
257.18970	3.9
259.86310	1.1
267.08542	17.8
267.15802	23.7
269.17410	14.7
275.19998	23.9
283.15314	5.9
285.16882	40.2
293.20963	3.7
308.14908	1.2
349.23618	17.2
367.24664	8.7
369.15314	3.9
421.25909	3.3
439.26773	27.1
461.28882	26.6
479.29913	66.8
541.35138	24.8
559.36176	50.9
577.26086	9.6
577.36914	18.7
623.34344	4.0
780.46631	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
55.05521	0.2
57.03428	0.3
57.29693	0.2
61.02930	0.2
62.64730	0.2
65.03951	0.2
67.05485	0.9
67.17897	0.2
69.03415	1.3
69.07058	0.4
71.04980	0.3
77.03893	0.3
78.54810	0.2
79.05471	5.7
81.03388	2.6
81.07050	1.5
85.02888	1.7
91.05465	4.0
92.08929	1.4
93.03399	0.2
93.07024	1.2
95.04932	2.6
95.08588	1.1
97.02871	0.9
103.05445	4.8
105.03371	1.6
105.07013	8.3
105.42170	0.2
105.61410	0.2
106.04156	0.3
106.07358	0.2
107.04934	60.0
107.08575	1.8
108.05262	0.5
109.02862	0.5
109.06468	0.4
109.10075	0.4
109.60786	0.2
109.89211	0.2
110.03676	0.2
110.90221	0.2
111.04422	0.2
111.07962	0.2
115.05443	4.4
116.06232	0.2
117.06998	2.3
119.04942	0.3
119.08562	1.1
120.05721	1.5
121.06472	0.8
121.10119	0.2
123.04409	1.3
123.08060	0.2
124.05169	1.1
125.05989	1.8
127.03857	0.5
129.06944	0.4
131.04890	1.0
131.08556	1.0
133.02800	0.3
133.06454	0.9
133.10110	0.3
133.82141	0.3
135.04431	0.3
135.08025	20.0
137.05972	1.3
139.03879	0.4
141.06949	0.3
144.05653	0.3
145.06453	1.8
145.07596	1.4
147.04387	2.1
147.11676	0.4
148.05151	1.1
151.03804	0.3
151.07584	0.7
152.04669	0.5
154.06229	5.6
159.08063	0.9
163.07501	28.1
164.08197	0.4
165.05421	0.8
165.09175	0.3
167.06996	35.1
168.07368	0.3
173.05927	1.7
175.07486	0.3
180.07751	5.5
181.04877	0.9
181.08476	0.3
184.07350	0.7
187.07507	0.5
187.10243	0.3
190.06236	0.9
195.10126	100.0
196.10487	1.2
201.09009	0.2
203.07072	0.2
205.08594	2.2
205.10300	0.2
217.08527	1.3
219.10143	0.5
231.10080	0.3
235.09569	0.4
247.09624	0.5
249.11211	0.4
265.10641	1.4
359.14987	0.8
371.14609	0.4
383.14780	1.1
384.93359	0.2
385.16357	0.3
401.15878	1.7
441.19025	0.4
595.24725	0.2
648.81512	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.4
61.18393	0.6
63.48508	0.6
63.85752	0.7
67.05499	1.3
69.07040	0.8
76.10191	0.7
76.82362	0.6
79.05466	1.4
81.07054	1.3
86.09686	0.9
87.22215	0.6
89.05996	0.7
89.26155	0.7
92.08648	1.4
92.09262	3.9
93.07033	1.5
95.04973	0.8
95.08601	1.1
105.07032	1.3
107.08582	0.8
133.20113	0.8
184.07391	1.6
211.09877	0.7
288.02679	0.7
414.16156	0.8
496.84082	0.8
790.46381	0.9
791.39563	100.0
792.39838	3.2
799.54126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.4
61.18393	0.6
63.48508	0.6
63.85752	0.7
67.05499	1.3
69.07040	0.8
76.10191	0.7
76.82362	0.6
79.05466	1.4
81.07054	1.3
86.09686	0.9
87.22215	0.6
89.05996	0.7
89.26155	0.7
92.08648	1.4
92.09262	3.9
93.07033	1.5
95.04973	0.8
95.08601	1.1
105.07032	1.3
107.08582	0.8
133.20113	0.8
184.07391	1.6
211.09877	0.7
288.02679	0.7
414.16156	0.8
496.84082	0.8
790.46381	0.9
791.39563	100.0
792.39838	3.2
799.54126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	25.9
57.03424	14.9
61.02900	3.2
65.03925	3.6
67.05488	74.3
69.07043	19.7
69.19419	3.1
79.05476	56.8
81.07033	66.0
83.08591	4.0
86.09694	13.1
91.05443	39.7
93.07027	58.7
95.04933	4.5
95.08574	47.4
105.07014	28.3
107.08560	23.5
109.06525	3.6
109.10137	17.6
117.07011	7.2
119.08550	23.3
121.10105	18.3
123.11685	4.1
125.00000	5.3
126.45586	3.2
129.05489	3.3
129.06949	4.6
131.08524	20.6
133.10100	16.6
135.11696	5.3
145.10077	7.6
147.11681	7.4
159.11610	5.2
173.13171	4.4
175.14833	5.2
184.07320	15.8
185.13219	4.1
224.34106	3.7
241.19469	5.5
259.20575	3.7
333.24063	16.8
335.25708	100.0
344.47931	3.9
364.20227	3.8
494.45013	3.2
824.11511	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	790.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16323	0.7
60.08153	7.5
62.81453	0.7
65.71735	0.7
70.95972	0.7
71.07358	4.6
72.86948	0.7
79.34534	0.7
81.07012	0.7
83.59112	0.7
86.09692	44.5
90.73302	0.7
92.08663	1.4
92.09261	1.8
98.98440	4.1
99.36228	0.7
101.32983	0.7
104.10748	1.9
124.99988	29.7
135.11543	0.8
136.85751	0.9
151.48227	0.7
157.06354	0.7
184.07312	100.0
402.23947	0.9
413.87857	0.9
420.57407	0.9
425.56689	0.8
462.02188	0.8
487.77209	0.9
790.54865	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	790.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.3
55.05506	34.1
57.03434	22.6
57.07055	3.2
59.04719	2.2
59.04991	47.1
61.02914	6.2
67.05491	100.0
69.03417	3.5
69.07057	15.2
70.22279	1.4
71.04964	10.2
74.41747	1.4
79.04728	1.7
79.05476	42.5
81.03399	3.6
81.06604	2.3
81.07040	53.0
83.04961	3.5
83.08583	15.3
83.82520	1.5
85.02865	3.3
85.06509	2.6
86.09650	1.9
87.04447	53.3
91.05465	24.2
92.08780	10.0
93.06477	2.6
93.07023	40.7
95.04942	3.8
95.08581	32.8
97.02877	6.0
97.06513	2.9
97.10163	11.2
99.04417	6.4
105.07016	17.0
107.08578	24.0
109.06506	1.9
109.10149	53.5
110.10467	1.9
111.08057	2.8
117.06962	6.4
119.08578	15.2
121.10106	10.1
123.11669	2.5
125.09586	3.3
131.08553	10.2
133.10095	7.8
135.11624	8.7
137.09573	5.8
145.10081	8.8
147.11627	3.5
149.13222	2.9
161.13240	2.3
163.11195	2.0
173.09531	1.9
173.11800	11.2
173.13019	2.3
175.14896	2.0
184.07300	3.7
199.13304	1.9
217.07500	1.5
229.14262	23.2
261.22034	8.0
267.15729	2.0
315.18036	1.9
322.29761	1.4
335.25684	31.5
351.25415	1.5
447.22507	1.7
477.35861	3.5
482.79218	1.9
489.35687	39.9
519.29822	2.1
553.80414	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.7
55.05507	44.6
57.03425	24.1
57.07067	2.2
59.04990	39.2
60.91920	0.8
61.02909	4.4
64.65063	0.9
65.03931	1.6
67.05491	100.0
68.21999	1.2
69.03416	5.3
69.07055	17.9
71.04984	12.9
74.19330	1.1
74.50612	1.2
79.05003	1.2
79.05473	49.8
81.03404	4.1
81.07038	58.5
83.04964	5.5
83.08603	15.0
85.02884	7.4
85.06534	1.9
87.03938	2.2
87.04450	46.8
87.04987	2.0
91.05460	25.7
92.08835	9.2
93.07027	44.5
95.04949	4.6
95.08587	34.5
97.02859	2.3
97.06499	5.1
97.10129	15.1
99.04440	14.6
104.05035	1.2
105.07015	15.3
107.08567	25.6
109.06487	2.4
109.10146	42.4
111.04459	2.2
111.08067	2.3
117.07005	2.3
119.08551	14.5
121.10115	16.2
125.09589	9.1
126.22620	1.1
129.07022	1.5
131.08540	7.7
133.10121	7.1
135.08134	1.2
135.11691	9.9
139.11185	1.2
142.07848	1.3
144.95526	1.0
145.10101	7.8
147.11664	2.5
149.13173	1.9
159.11687	2.1
161.13152	1.4
163.11142	2.6
169.10115	1.4
171.11620	1.3
173.11703	10.9
173.13223	3.9
180.43613	1.0
184.07196	1.3
193.12309	1.3
199.13286	6.7
227.12737	2.7
229.14311	24.1
243.20918	2.0
261.22000	7.6
267.15863	4.5
279.10654	1.1
315.17953	6.4
335.21896	2.1
335.25745	43.4
365.81369	1.2
459.34879	1.3
477.35675	14.6
489.35718	35.7
543.36346	1.5
548.16010	1.1
561.37262	1.5
575.39075	4.5
593.40277	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	9.2
55.05269	2.7
55.05505	57.0
57.03421	27.1
57.07062	4.5
59.04761	1.8
59.04991	29.7
61.02914	3.9
67.05144	3.7
67.05489	100.0
69.03392	7.6
69.07055	20.3
69.07379	3.2
71.04970	20.9
73.02905	2.2
79.05470	61.7
81.03383	12.9
81.07031	74.0
83.04457	2.0
83.04953	13.4
83.08609	23.0
85.02871	4.6
86.09703	3.1
87.04449	40.5
90.85514	2.0
91.05457	31.1
92.09179	11.4
93.07019	55.5
95.04935	12.2
95.08582	48.2
97.02910	2.3
97.06512	7.7
97.10134	20.3
99.04423	25.4
105.07012	19.7
107.08569	28.4
109.06522	2.5
109.10147	54.5
111.04385	4.0
111.08056	3.9
117.06997	8.6
119.08539	17.0
121.10130	23.3
123.11636	2.7
125.09610	13.8
129.06970	2.4
129.20903	1.9
131.08553	14.2
133.10132	8.6
135.11652	10.7
143.08554	3.2
145.10101	12.5
147.11647	4.5
149.09517	2.6
149.13217	2.8
159.11613	9.9
161.13165	3.3
163.11160	2.6
169.09813	2.2
173.11665	10.5
173.13168	4.1
176.21721	2.1
184.07315	4.9
191.10655	2.5
194.39555	2.4
199.13277	9.7
210.37796	2.2
227.12721	5.0
229.14304	22.7
261.22110	7.8
267.15823	3.5
315.17950	4.9
335.25726	46.2
451.31573	2.3
477.35605	23.3
489.35815	18.6
543.36694	3.0
560.12506	2.3
575.39496	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.2
55.05503	47.7
57.03430	23.9
57.04470	0.8
57.07067	2.4
59.04713	1.8
59.04991	32.5
60.08140	1.6
61.02916	5.9
65.03918	1.8
67.05491	100.0
68.05812	1.1
69.03413	4.7
69.07052	16.7
71.04984	12.3
71.07363	1.1
71.08604	1.0
73.02911	1.1
79.05471	45.6
81.03401	8.4
81.07037	59.6
83.04962	6.7
83.08611	15.1
85.02888	7.9
85.06542	1.6
86.09679	13.9
87.04449	37.0
89.06004	1.9
91.03901	1.4
91.05460	25.5
92.09064	1.0
93.07016	40.5
95.04949	9.1
95.08584	37.9
95.31564	1.2
97.02872	2.1
97.06516	5.2
97.10155	14.2
97.26684	1.0
99.04427	13.1
105.07003	16.4
107.04893	1.7
107.08578	26.5
109.06496	2.2
109.10133	47.1
111.04417	2.0
111.08056	4.2
112.15317	0.9
117.06998	8.1
119.08559	15.3
121.06440	2.4
121.10122	14.7
123.11670	1.8
124.99997	9.7
125.09611	7.9
129.06966	1.9
131.08539	11.3
133.10085	8.3
135.08037	1.2
135.11661	10.3
137.09607	2.0
143.08607	1.1
145.10130	9.8
147.11690	6.4
149.13231	1.9
157.10110	1.7
159.11690	4.4
161.13249	1.3
163.11151	5.2
163.14790	1.5
173.11728	7.0
173.13220	3.7
175.40886	1.0
184.07286	30.6
187.14752	1.2
199.13275	6.4
227.12746	2.3
229.14310	27.9
241.14355	2.3
261.22046	8.0
264.27481	1.1
267.15930	5.1
290.97592	1.1
315.17935	2.3
335.21866	2.0
335.25751	39.2
363.25165	4.1
371.32373	1.0
403.22861	1.1
477.35632	14.4
478.35629	1.3
489.35583	28.6
575.39209	2.1
593.40533	1.4
613.47577	1.6
790.43921	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	8.0
55.05262	2.3
55.05503	38.1
57.03429	18.8
57.07052	1.9
61.02888	2.9
65.03915	3.3
67.05487	73.2
68.41139	1.5
69.03404	8.0
69.06780	1.7
69.07057	25.2
71.04990	11.8
71.45215	1.4
79.05469	75.4
81.02932	2.7
81.03395	69.8
81.07030	78.1
83.04985	11.1
83.08595	23.8
85.02873	2.6
85.06502	3.4
91.05453	83.3
92.08698	3.7
93.07019	76.7
95.04378	2.6
95.04940	35.6
95.08574	48.6
97.02861	3.5
97.06488	8.8
97.10136	13.5
99.08048	1.8
100.53156	1.5
103.45103	1.9
105.07008	73.5
107.04911	8.4
107.08576	40.4
109.06465	9.1
109.10121	23.1
111.08060	8.4
115.05414	2.0
117.06975	21.7
119.08562	57.8
121.06461	7.5
121.10120	32.3
123.08006	3.5
123.11648	2.0
124.99989	1.6
125.09627	11.6
128.06189	2.7
129.06979	27.5
131.08536	39.0
133.06473	3.1
133.10098	37.3
135.08026	6.2
135.11688	12.0
141.06955	3.4
142.07771	6.0
143.08533	19.0
145.10107	29.7
147.07993	6.4
147.11659	27.1
149.09564	7.6
149.13194	7.9
155.08513	11.9
157.10060	26.2
159.11674	17.0
161.09566	2.8
161.13214	13.8
163.11119	3.5
165.12735	1.7
167.08496	2.0
167.82309	1.8
169.10098	17.2
171.08063	1.9
171.11615	15.6
173.09511	2.2
173.11858	2.0
173.13203	12.5
175.11098	3.4
175.14722	2.5
181.10062	3.3
183.11635	8.0
184.07281	8.7
185.13229	12.7
187.10959	2.1
187.14735	2.1
189.11198	3.2
189.12750	2.3
193.12199	9.5
195.11629	8.3
197.13202	3.6
199.14806	6.7
201.12840	1.7
209.13254	6.0
211.14783	2.5
223.14835	3.0
227.12708	6.4
233.15086	1.9
241.19357	3.2
254.24155	2.0
259.20462	13.6
267.15762	20.1
275.19913	2.8
299.23572	7.9
333.24237	12.1
349.23987	1.6
406.55222	1.5
421.25711	7.3
433.30551	7.2
435.27118	2.3
451.31775	13.5
469.33081	3.2
507.34106	3.1
508.13654	2.0
517.34833	2.6
517.51514	2.1
525.35626	57.3
543.36694	100.0
544.36810	2.1
557.38379	11.8
575.39545	18.6
705.41980	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	790.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	15.6
55.05268	2.4
55.05508	45.5
57.03428	30.2
57.07051	1.4
59.04979	1.8
60.26876	1.2
61.02910	9.4
65.03932	6.2
65.23952	1.3
67.05492	91.2
67.05851	3.2
69.03410	13.5
69.07054	67.4
71.04964	10.4
73.02885	2.5
79.04997	1.5
79.05473	80.6
81.03400	81.8
81.07040	89.5
83.04966	31.1
83.08602	30.7
85.02891	33.3
85.06535	2.8
86.09681	2.8
91.03922	1.6
91.05463	100.0
92.09199	1.7
93.07030	61.2
95.04955	46.5
95.05521	1.2
95.08583	47.7
97.02880	11.2
97.06516	21.2
97.10151	12.8
99.08057	3.2
103.05482	1.4
105.03403	1.5
105.07011	64.5
107.04934	23.7
107.08593	34.9
109.02892	2.0
109.06493	13.1
109.10145	29.9
111.04414	2.5
111.08080	15.2
113.05933	1.7
113.09709	1.3
115.05443	2.4
117.07018	18.8
119.04949	2.1
119.07711	2.4
119.08556	53.7
121.06485	8.3
121.10126	23.9
123.08036	8.2
123.11668	5.2
125.05988	2.1
125.09592	8.9
129.05493	2.8
129.06995	21.7
130.07817	2.0
131.05841	1.7
131.08540	32.8
133.06465	3.3
133.10120	40.3
135.07979	4.2
135.11606	9.6
137.09616	14.7
142.07736	2.5
143.08553	5.8
145.10092	15.6
147.08028	5.3
147.11682	25.8
149.09598	22.4
149.13225	2.0
149.53433	1.7
151.11136	3.4
157.10107	20.0
159.11667	8.2
161.13242	3.2
163.11119	13.9
165.12805	1.5
169.10075	1.7
171.11615	2.8
173.11703	2.8
173.13181	3.3
175.11131	15.8
183.11790	1.7
184.07298	7.6
187.14711	1.8
189.11174	2.2
193.12193	40.5
211.13257	42.9
211.15053	2.6
223.13086	1.7
227.12808	2.4
229.14388	6.2
253.14328	5.3
257.18933	6.3
267.15881	24.9
273.18460	1.8
275.20090	17.3
285.16910	40.3
291.19449	7.4
293.21088	3.0
301.16315	1.6
306.29272	1.5
325.60046	1.6
349.23691	29.4
365.22855	2.5
381.22736	2.2
421.25830	1.9
439.26898	17.6
463.30573	2.4
512.36639	1.5
541.35333	13.3
557.34406	6.7
559.36243	40.3
574.81708	1.6
575.35742	6.2
577.36743	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	790.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	17.0
55.05504	45.3
57.03142	1.5
57.03423	42.4
57.07063	2.6
59.04990	2.3
61.02895	7.8
64.33624	1.2
65.03918	7.8
67.05490	90.9
69.03411	18.7
69.07049	55.1
71.04971	25.6
73.02879	6.4
79.05468	79.7
79.47128	1.5
81.03393	66.6
81.07034	100.0
83.01316	7.5
83.04960	36.1
83.08588	31.7
85.02879	30.5
85.06503	3.6
86.09680	2.1
87.13509	1.7
88.29094	1.4
88.72425	1.7
91.05453	78.1
92.09055	8.3
93.07021	79.5
95.04943	39.0
95.08583	39.4
97.02871	14.0
97.05889	3.3
97.06501	75.9
97.10126	12.7
99.04414	3.4
99.08050	8.6
102.16314	1.5
103.05447	1.9
105.03350	6.2
105.07005	59.8
107.04939	20.8
107.08575	45.9
109.02853	6.8
109.06493	32.1
109.10140	30.9
111.04418	3.8
111.06712	1.3
111.08058	14.0
113.05979	3.6
115.05408	2.8
115.07527	11.2
117.06998	28.0
119.08550	43.3
121.06480	11.4
121.10123	23.3
123.08040	10.7
123.11635	3.7
123.28402	1.7
125.05970	2.2
125.09612	6.2
127.03895	6.0
127.07516	2.0
129.06964	18.8
131.08525	35.4
133.06438	3.6
133.10109	33.4
135.08052	14.2
135.11671	16.3
137.09581	5.6
142.07767	3.1
143.08527	11.1
145.06433	2.7
145.10109	25.2
147.04402	3.3
147.08035	10.6
147.11662	16.8
149.09567	13.0
149.13248	11.8
151.11165	3.0
155.08568	2.4
157.10101	19.0
159.07990	1.7
159.11597	12.5
161.09589	6.5
161.13289	2.0
163.11136	23.1
169.10127	2.6
171.11670	3.1
173.04440	1.9
173.09561	7.5
173.11636	6.1
173.13031	2.1
174.10690	1.5
175.05443	1.6
175.11177	11.6
177.12729	2.1
182.99574	1.4
183.11559	1.8
184.07303	2.7
185.13289	1.6
189.11145	3.3
189.12708	2.3
193.12216	24.2
195.13733	3.3
197.13075	2.1
201.12790	1.7
211.13228	26.6
217.15813	3.5
218.71375	1.7
227.12682	6.9
229.14224	9.3
267.15747	13.9
269.17361	14.6
273.18396	19.7
275.20126	12.3
283.15277	34.4
285.16867	28.3
291.19455	11.1
302.35779	1.8
307.19327	1.6
347.22003	7.5
349.23642	9.9
365.23175	9.1
367.24615	2.5
403.01740	1.7
437.25311	19.7
457.62534	1.7
461.28790	6.8
477.28409	27.0
479.29965	16.1
539.33563	6.4
557.34399	33.6
575.35614	21.1
583.69501	1.7
593.36346	2.6
646.91681	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	22.3
55.05504	57.6
57.03426	31.2
57.07053	7.1
58.25216	1.6
61.02906	7.7
65.03934	5.7
67.05140	3.7
67.05489	98.4
69.03419	15.2
69.07053	38.2
71.01321	1.9
71.04964	10.4
73.02893	7.6
79.05469	93.2
81.03398	62.4
81.07034	100.0
83.04962	34.6
83.08601	32.7
85.02874	16.1
85.06524	8.1
86.09673	14.0
91.04874	3.2
91.05453	79.9
92.08765	6.9
93.07018	78.0
95.04950	40.6
95.08579	42.0
97.02862	12.5
97.06519	20.5
97.10141	18.0
98.07275	2.9
103.05422	2.0
105.07006	61.9
107.04919	17.3
107.07023	1.7
107.08575	42.5
109.02904	2.7
109.06500	13.5
109.10141	26.4
110.23286	1.6
110.92535	1.6
111.04414	7.5
111.08067	11.2
113.05992	2.0
115.05431	3.3
116.04694	4.1
117.06998	18.9
117.50883	1.6
119.04984	1.8
119.08551	40.5
121.06473	9.1
121.10118	21.5
123.04437	2.1
123.08040	11.4
123.11703	3.2
124.99989	4.0
125.09621	12.3
128.06198	2.7
129.05441	14.8
129.06970	14.8
131.08530	30.4
133.10095	40.3
135.08051	6.8
135.11662	21.2
137.09576	7.2
141.07019	2.3
142.07751	7.8
143.07071	2.5
143.08530	10.4
145.10089	18.7
147.08057	2.2
147.11687	16.8
149.09610	13.7
149.13237	4.1
151.11133	7.1
155.08574	2.3
157.08606	3.4
157.10115	16.1
159.11678	10.5
161.09621	2.5
161.13177	2.5
163.11128	17.0
171.10170	3.1
171.11667	6.9
173.09634	2.4
173.13120	2.0
175.11136	4.1
177.12685	3.7
181.12196	3.4
184.07292	27.1
185.13283	2.3
187.11107	1.8
193.12175	16.8
195.13652	2.1
209.11684	2.9
211.13248	17.3
227.12785	12.2
243.16014	2.3
253.14279	8.2
255.15881	4.1
267.15848	19.8
269.17413	10.3
273.18396	1.8
275.19952	10.0
283.15347	7.5
285.16809	12.0
291.19617	4.0
301.16431	18.1
349.23639	6.9
365.23236	2.0
379.29266	1.7
423.27591	2.4
435.27634	1.9
447.27408	3.1
461.28851	2.3
463.26492	3.6
477.28204	6.1
481.27716	3.7
495.29498	17.3
539.34052	2.4
557.34485	10.5
575.35400	12.9
593.36737	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	788.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.6
57.07080	0.7
60.08147	9.6
62.93019	0.5
63.10387	0.5
68.36046	0.4
69.07030	0.8
70.64099	0.5
71.07355	5.2
78.62500	0.5
79.79356	0.6
81.07043	1.1
86.09684	52.3
92.63374	0.5
93.06990	0.5
95.08577	0.5
97.83981	0.5
98.98452	3.8
104.10716	4.5
104.64823	0.6
105.07014	0.7
107.08552	0.6
109.28214	0.5
112.34637	0.5
121.10114	0.5
124.99969	34.5
184.07291	100.0
184.53839	0.5
297.52206	0.5
338.20514	0.5
338.65515	0.5
593.06683	0.7
770.53302	5.5
788.54169	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	789.514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.2
55.05502	27.2
57.03422	21.4
58.34254	2.4
60.08139	3.5
61.93161	2.9
67.05489	74.0
69.07050	28.0
69.17117	2.7
70.87262	2.8
71.04973	3.0
71.56963	3.0
79.05476	60.1
80.06722	2.7
81.03395	3.7
81.07034	84.5
83.04963	4.9
83.08614	12.3
85.06548	3.6
86.09692	22.1
91.05457	65.2
92.09048	14.9
93.07018	58.2
95.04939	13.0
95.08585	48.9
97.06518	4.3
105.07011	62.8
107.04940	12.2
107.08577	31.5
108.52964	2.9
109.06463	6.7
109.10130	17.7
117.06966	23.1
119.08559	38.1
121.06539	3.2
121.10117	20.5
123.11651	4.2
124.99980	16.1
131.08542	30.0
133.10092	29.7
135.11644	11.4
144.86935	3.5
145.10086	14.5
147.11716	6.0
157.10068	3.3
159.11697	6.1
160.30905	3.0
161.13283	3.9
173.13232	4.2
183.88924	2.8
184.07324	51.0
210.76697	3.2
215.79398	3.1
219.17398	63.0
274.43845	3.3
275.20047	23.4
335.25699	60.0
349.23611	15.1
375.10660	3.4
503.16705	3.4
609.44958	100.0
789.54364	6.1
820.68359	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	790.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.4
55.05500	0.7
57.07064	2.5
59.76528	0.3
61.02907	0.4
63.02352	0.3
63.61838	0.3
66.83141	0.3
67.05486	3.2
69.03412	2.4
69.07047	0.7
71.04955	0.5
79.05468	2.1
81.03355	0.5
81.07031	20.2
83.04964	0.3
83.08588	0.4
85.02886	91.5
85.06517	0.4
86.03214	0.3
87.04466	0.3
91.05453	2.8
92.08596	0.4
92.09099	0.8
93.07039	3.0
95.04946	0.7
95.08586	5.0
97.02861	1.9
99.04399	0.4
102.43771	0.4
105.07005	8.9
107.08577	5.9
109.06499	3.2
109.10136	11.6
111.04427	0.6
117.06966	0.6
119.04893	1.8
119.08557	10.5
120.90402	0.3
121.06483	0.8
121.10114	9.9
122.73898	0.3
123.08075	2.5
123.11678	100.0
125.05972	6.4
125.09568	0.6
127.03902	0.7
130.07782	0.5
131.08545	2.4
133.06448	2.6
135.08047	0.4
137.09625	0.5
139.07483	0.5
141.05421	1.7
143.08536	0.5
145.10115	5.7
146.10873	0.5
147.04387	1.8
147.08026	4.2
147.11667	16.5
149.09576	8.6
151.07497	2.8
156.09320	2.2
159.08015	0.6
161.09587	0.7
161.13235	1.3
163.11055	0.5
165.12698	1.7
167.10646	0.3
169.08537	0.6
171.11653	1.5
174.10371	1.6
175.03864	3.3
179.14272	0.7
189.12698	18.3
192.04163	0.3
207.06479	5.7
207.13759	44.2
208.13995	0.6
225.07524	2.0
225.14804	40.6
226.15222	0.6
233.96460	0.3
311.25668	0.4
387.19980	0.4
404.22696	0.4
787.46472	0.4
798.92664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
56.05022	0.4
58.06580	0.3
59.17462	0.2
60.08154	10.6
67.05482	0.5
67.61034	0.2
71.07359	5.5
79.05466	0.6
81.07038	0.6
86.09692	55.9
92.08767	1.6
93.07005	0.4
95.08575	1.1
98.98437	5.4
99.09595	0.3
104.10735	3.8
105.06983	0.3
106.60960	0.3
107.08556	0.3
124.99984	40.1
129.03799	0.3
131.42697	0.3
143.01018	0.7
184.07310	100.0
448.65033	0.3
690.46527	0.6
770.52911	2.8
788.54138	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	788.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.2
56.05007	0.6
56.43387	0.1
57.07050	0.1
58.06603	0.5
60.08149	8.8
61.58058	0.1
61.77808	0.1
66.90976	0.1
67.05473	0.5
68.66906	0.1
69.07051	0.3
70.06550	0.1
71.07352	4.0
71.08593	0.1
79.05472	0.2
79.22736	0.1
81.07025	0.5
81.76484	0.1
86.09686	47.1
91.05460	0.5
92.08658	0.2
92.09164	0.4
92.64495	0.1
93.07018	0.2
95.04931	0.1
95.08598	0.4
98.98439	3.5
104.10719	3.3
107.08546	0.2
109.10152	0.2
119.08535	0.1
121.10046	0.2
121.76633	0.1
124.99976	33.3
131.16736	0.1
143.01021	0.7
184.07300	100.0
185.07709	0.4
208.97353	0.1
310.67297	0.1
329.07233	0.1
519.87292	0.1
650.44385	0.2
690.47040	1.3
730.50323	0.2
770.52997	0.8
788.54236	5.5
789.55341	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.4
58.06579	0.3
60.08147	8.9
67.05486	0.3
71.07355	4.1
81.07045	0.3
86.09689	49.4
88.40893	0.2
92.09071	0.8
93.07022	0.3
95.04990	0.2
95.08591	0.5
98.98439	4.4
104.10707	4.1
107.08575	0.2
124.99977	34.4
127.67944	0.2
143.00970	0.4
157.28784	0.2
159.08208	0.2
169.52751	0.3
184.07301	100.0
185.07632	0.4
279.50015	0.2
335.32278	0.2
690.46484	1.2
770.52423	1.1
788.53900	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	788.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.05032	0.4
58.06581	0.3
60.07861	0.4
60.08146	8.8
61.74969	0.2
61.95553	0.2
63.46974	0.3
67.05474	0.5
69.07024	0.4
71.07044	0.3
71.07357	4.4
79.05468	0.4
81.07040	0.4
86.09686	45.5
92.08774	0.6
92.09245	0.4
93.07008	0.4
95.08587	0.4
98.98429	3.8
104.10717	3.8
104.48388	0.3
105.06999	0.4
111.99357	0.3
116.49709	0.3
124.99977	31.6
131.03822	0.3
143.00999	0.7
145.81483	0.3
184.07298	100.0
185.07617	0.6
349.46283	0.3
423.16562	0.4
544.94031	0.3
570.11139	0.3
770.53156	4.1
788.54376	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	788.478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.0
55.05507	15.2
57.03421	12.3
58.78762	1.1
61.02905	1.3
61.92056	1.4
62.16175	1.0
67.05494	31.0
69.03409	2.8
69.07050	17.9
71.04985	2.9
79.05471	27.3
81.03401	57.0
81.07037	40.8
83.04947	10.3
83.08595	13.5
83.44428	1.4
86.09673	1.4
91.05458	45.2
92.08880	1.4
93.07022	28.2
95.01333	4.9
95.04945	21.5
95.08584	19.0
97.06508	12.9
97.10154	1.9
105.07012	53.2
107.04930	13.5
107.08588	18.6
109.06513	5.4
109.10155	13.0
111.08081	6.7
116.46154	1.1
117.06995	10.7
119.08553	27.4
119.09286	1.9
121.06476	7.2
121.10132	9.6
123.08027	2.3
123.11636	2.2
125.09605	1.9
129.07010	6.8
131.04875	1.3
131.08537	19.8
133.06448	2.2
133.10101	36.0
133.11026	1.9
135.08044	4.6
135.11682	3.0
137.09563	1.8
143.08591	2.4
145.10069	11.3
147.08047	1.8
147.11670	11.2
149.09612	10.7
149.13232	2.2
151.11137	5.3
157.10129	7.8
159.11646	6.4
161.09550	1.6
161.13226	2.9
163.11070	1.3
173.13246	1.6
175.11198	7.0
179.14325	5.2
184.07338	5.1
187.11092	1.4
193.12227	12.3
237.30940	1.2
253.14285	12.7
267.15869	35.8
273.18231	2.0
275.19980	23.1
293.21063	1.5
349.23755	13.0
365.23087	2.6
401.72360	1.3
541.35168	100.0
542.34796	2.0
591.35077	5.2
788.74567	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	21.9
55.05503	61.7
56.92040	1.4
57.03421	22.7
59.04987	6.8
61.02898	3.7
65.03915	1.9
67.05491	77.1
69.03404	12.2
69.06712	2.6
69.07054	43.9
71.01328	3.2
71.04980	7.6
71.46429	1.7
73.02901	3.3
79.05475	77.3
81.03401	19.4
81.07034	100.0
83.04956	15.6
83.08608	43.1
83.26678	1.8
85.02890	10.8
85.06557	2.4
91.05460	79.8
91.93066	1.6
92.08961	3.7
93.07021	79.8
95.04942	20.9
95.08581	38.9
97.02859	13.7
97.05967	1.8
97.06490	15.8
97.10143	23.9
99.00800	35.4
103.05438	2.9
105.03400	7.5
105.07010	75.7
107.04949	25.8
107.08572	55.6
108.39120	1.7
109.02864	22.5
109.06499	12.3
109.10142	22.8
111.04467	2.7
111.08042	12.6
113.09622	2.2
117.06976	21.2
119.08557	42.3
121.06496	22.8
121.10114	14.0
123.04393	3.8
123.08047	3.8
123.11685	8.3
125.09591	16.8
127.03902	9.6
128.06129	2.6
129.06973	8.2
131.08553	26.4
133.06473	3.5
133.10101	73.7
135.08038	10.1
135.11699	17.0
137.05931	4.0
137.09602	7.5
139.07492	2.2
143.08521	13.4
145.06636	2.2
145.10106	20.7
145.33063	2.0
147.08017	3.2
147.11664	15.1
149.09601	17.4
149.13316	7.6
151.11162	21.6
153.07051	2.8
155.08519	3.2
157.10085	2.8
159.11629	14.7
161.09567	28.2
161.13268	2.7
163.11105	13.0
165.09151	2.3
169.10008	2.2
171.08044	3.1
171.11696	3.0
173.13228	9.2
179.10588	13.4
184.07394	3.4
187.11253	2.2
189.09033	13.3
189.11169	7.8
194.94536	1.9
197.11655	3.8
207.10139	2.5
225.11086	13.0
227.12712	26.9
243.12024	2.2
247.20464	1.8
249.20242	1.8
255.15910	2.6
257.19037	7.0
267.15793	2.5
269.17429	9.1
273.18301	2.0
275.20001	26.2
281.13846	3.6
299.14828	81.1
349.23648	30.2
395.20950	2.9
453.24780	2.8
469.24466	12.7
479.26221	11.9
493.27869	44.9
555.33954	2.0
557.55450	1.9
573.34113	64.8
591.34711	11.1
755.51849	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	29.5
55.05265	3.1
55.05506	59.7
57.03432	25.9
57.07071	3.3
59.04976	3.4
60.08148	7.3
61.02910	11.8
64.34258	1.7
65.03931	1.7
67.05141	3.7
67.05492	100.0
69.03413	12.2
69.07052	69.3
71.01361	2.2
71.04980	8.9
71.07362	9.5
73.02912	2.2
74.86996	1.5
79.05472	93.0
79.73066	1.6
81.03387	27.0
81.07040	82.5
83.01314	16.5
83.04965	19.5
83.08609	23.2
85.02900	17.7
85.06535	2.7
86.09685	57.7
86.10184	2.9
91.03964	2.6
91.05460	76.0
92.08995	12.6
92.65355	2.1
93.07024	80.3
95.04939	31.3
95.08580	54.8
97.02885	17.0
97.03415	1.9
97.06509	20.1
97.10153	17.0
99.04443	2.9
99.08073	2.0
104.10722	49.8
105.04520	2.2
105.07014	60.6
105.11063	1.7
107.04941	21.2
107.08579	45.6
109.06503	17.0
109.10143	30.2
110.10483	2.0
111.04443	3.4
111.08057	10.4
111.31601	1.7
116.04704	2.3
117.06987	29.5
119.04995	2.4
119.08557	41.8
121.06503	12.3
121.10107	19.5
123.04374	2.6
123.08055	17.1
123.11654	2.0
125.00008	22.9
125.09624	10.9
127.03859	2.0
129.05438	13.7
129.06966	13.0
130.07744	2.9
131.08543	24.0
133.06487	4.2
133.10097	26.3
135.08035	9.1
135.11685	19.4
137.09601	8.0
139.01057	1.7
143.08548	8.7
145.06470	2.1
145.10115	36.2
146.98180	3.0
147.08025	6.9
147.11665	9.7
149.09575	12.5
149.13179	1.9
153.12689	2.1
155.08510	2.4
157.08623	7.3
157.10051	3.5
159.11705	12.5
161.09637	8.0
161.13187	3.9
163.11145	35.8
165.50851	1.7
169.10117	2.7
171.11649	3.7
173.09543	3.6
173.11760	3.2
173.13177	3.8
177.12688	3.2
179.10794	2.2
179.14262	3.3
181.12236	4.0
184.07315	56.9
187.11218	1.9
189.11169	3.4
191.10634	3.6
209.11673	2.5
223.13260	13.3
227.12735	11.9
229.14478	2.3
233.34486	1.8
239.17946	2.1
247.20322	2.5
253.14230	3.2
257.19016	3.4
262.95740	2.2
273.18356	3.5
275.19931	19.0
280.96637	2.3
283.15332	45.6
291.19452	39.0
293.20969	2.3
297.17230	2.3
301.16342	15.4
301.19867	3.4
306.98090	2.2
348.69135	2.0
349.23621	29.7
365.23291	14.8
379.21091	6.7
394.37381	2.1
409.16345	2.1
437.25330	21.4
451.26828	2.3
461.28870	9.7
477.28421	2.5
518.31995	4.3
537.28986	2.1
539.33051	3.1
540.30573	4.1
557.34625	44.6
573.34503	2.4
575.35602	6.8
591.34998	16.1
640.75824	1.9
675.85199	1.9
749.78174	2.0
788.42456	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	788.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.05494	0.4
57.03418	0.5
67.01855	0.9
67.05490	1.3
68.99767	0.2
69.03414	3.5
69.07052	0.5
71.04973	0.8
75.74316	0.2
79.05462	1.2
81.03400	21.1
81.07037	1.6
83.04962	0.8
83.08630	0.2
85.02880	1.0
85.06506	0.3
89.03891	3.6
91.05463	1.7
92.09019	0.3
93.07004	1.1
95.04948	1.7
95.08607	1.0
96.39452	0.2
97.02860	7.1
97.06518	0.2
98.23447	0.2
99.04424	4.4
105.03387	1.8
105.07014	1.4
106.04184	0.3
107.04950	0.4
107.08567	1.2
108.04468	0.8
109.02861	42.6
109.10164	0.5
111.04435	0.3
111.08015	0.3
117.03355	19.5
117.07084	0.2
119.08531	1.3
121.10091	0.2
123.11652	0.2
127.03893	11.0
129.06970	0.4
131.08542	0.8
133.10091	1.0
134.03610	1.1
135.04449	1.5
135.11656	0.2
139.03877	1.2
145.02824	61.9
145.10132	0.3
146.03166	0.3
147.08023	0.2
148.53761	0.2
148.68837	0.2
149.05962	7.0
163.03856	0.9
169.04913	19.4
175.03928	0.3
175.14799	0.4
177.05429	100.0
178.05759	0.4
186.05421	0.4
187.05963	0.4
193.12268	0.2
211.06042	1.6
229.06981	1.9
285.07455	2.3
289.09125	0.3
303.08643	3.8
332.44641	0.2
345.09601	12.2
465.13788	3.6
555.32483	0.3
573.33881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
55.05506	21.2
57.03424	20.7
57.07061	3.6
61.02916	2.2
65.03899	3.0
67.05493	100.0
69.07053	17.7
71.04987	3.7
71.25124	2.0
79.05473	44.7
81.03394	11.7
81.07039	53.0
83.04957	4.9
83.08620	10.5
85.02911	6.4
85.06520	3.5
86.09719	3.7
91.05466	34.0
91.64859	2.3
93.07026	47.0
95.04942	8.2
95.08580	44.0
97.06527	4.0
103.08030	2.4
105.07004	20.7
107.04932	4.1
107.08572	25.6
109.06518	8.7
109.10137	55.3
111.04424	4.6
111.08098	2.2
115.05370	2.8
117.07001	10.4
119.08547	16.1
121.06506	2.5
121.10112	19.0
123.11701	2.7
131.08542	4.7
133.10141	4.9
135.11679	10.4
145.10126	13.0
147.11644	4.1
149.09619	2.8
149.13202	3.8
159.11690	3.2
161.09554	2.5
173.11697	4.3
187.11061	2.6
223.13193	3.9
229.14282	25.0
261.22122	9.0
297.16855	10.3
315.17896	3.9
335.25729	56.0
348.78232	2.1
489.35480	26.8
557.37946	9.7
575.39716	4.0
603.41852	5.0
782.30365	2.4
786.47937	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	786.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28510	0.4
60.08150	9.1
60.29553	0.4
67.05476	0.9
69.07053	0.5
71.07360	4.4
72.51502	0.5
79.05483	0.6
81.07024	1.0
86.09689	50.2
87.09996	0.6
92.08875	2.1
95.08556	0.6
96.12509	0.5
98.98424	3.8
100.31322	0.4
104.10739	4.0
107.08504	0.5
109.10071	0.6
121.10061	0.5
124.99982	32.5
143.01006	0.8
161.16870	0.6
171.89554	0.6
184.07304	100.0
185.07652	0.9
191.63928	0.6
288.36053	0.5
314.03683	0.5
338.05121	0.6
786.52661	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	786.527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.3
56.05003	0.4
58.06596	0.4
60.07862	0.5
60.08154	8.8
62.34385	0.3
65.11071	0.3
69.07035	0.3
70.06570	0.3
71.07364	5.5
74.32739	0.3
77.25325	0.3
81.07048	0.7
86.09691	49.9
91.05417	0.3
92.08715	0.8
92.09303	0.8
94.10685	0.3
98.98462	3.1
98.99015	0.3
104.10696	3.4
109.10062	0.4
124.99982	34.1
176.17551	0.3
184.07307	100.0
185.07698	0.4
261.67825	0.3
301.95380	0.4
437.14664	0.4
496.33401	0.4
658.12775	0.4
786.52545	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	784.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	28.9
57.03424	21.5
57.07064	74.1
60.08144	1.8
64.53457	1.2
65.03918	2.8
67.05489	87.7
69.03442	1.3
69.07052	29.8
71.08252	1.7
71.08614	41.8
71.52955	1.2
73.02896	4.9
79.05466	49.5
79.05901	2.4
81.07034	87.8
83.04958	2.6
83.08594	16.8
85.02899	12.1
85.06518	1.9
85.10162	19.3
86.09679	13.6
91.05456	21.9
92.08791	3.8
93.07021	58.3
94.73650	1.6
95.01286	6.8
95.04910	5.9
95.08578	82.6
97.02874	1.6
97.06523	1.4
97.10156	9.5
99.11680	1.3
103.03814	1.3
105.07000	17.2
107.08566	32.6
109.10141	33.3
111.08051	1.6
111.11733	1.2
113.02341	3.2
117.06980	8.4
119.08547	14.2
121.10104	24.3
123.11690	11.5
124.99969	9.3
128.35417	1.6
131.08530	15.8
133.10080	13.3
135.11694	15.3
141.01793	6.8
145.10103	9.1
147.11649	7.0
149.13181	11.1
159.11641	7.0
161.13193	2.9
163.14796	2.7
173.13240	7.9
184.07268	25.6
185.07751	1.6
187.14699	2.4
239.23500	2.5
243.21024	6.3
257.24789	1.9
261.22067	31.3
313.27307	100.0
314.27609	2.6
317.24609	5.4
335.25720	76.2
489.30551	1.5
511.28510	3.1
573.48590	43.0
591.49274	5.8
595.47278	2.0
709.15796	1.5
777.86847	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.7
57.03436	1.6
66.29253	1.3
67.05486	1.7
69.07050	2.0
79.05492	1.8
81.03404	5.5
81.07039	1.9
91.05451	1.6
93.06996	1.7
95.08568	1.9
109.02892	8.8
152.46648	1.3
189.57062	1.4
218.33586	1.6
269.06430	3.3
329.08359	17.5
362.20016	1.5
474.65860	1.6
539.48822	1.6
627.33380	12.3
725.36896	3.3
785.39160	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	786.28
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.6
58.48700	2.0
64.33231	2.0
67.05482	9.0
69.03400	3.4
72.77067	2.2
79.05461	5.3
81.03391	22.0
81.07036	9.8
83.04964	2.5
91.05464	12.2
93.07014	3.4
94.42130	2.3
95.04933	3.3
95.08556	4.7
97.02881	4.0
97.06488	8.7
99.04412	4.2
105.03370	2.8
105.07013	8.7
107.08578	4.6
109.02861	41.7
109.10172	2.9
119.04891	19.9
119.08583	3.2
121.10110	2.3
123.11627	2.4
127.03897	12.2
133.10104	3.3
147.04379	100.0
163.03893	2.6
169.04889	25.9
191.66245	3.0
206.95219	2.5
308.74100	2.5
315.08517	13.5
335.89899	2.2
435.12558	4.6
507.92371	3.0
531.56482	2.6
639.03943	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	786.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
55.05505	21.9
55.19608	1.7
57.03428	22.5
59.04976	2.2
61.02895	2.3
65.03925	2.2
67.05490	100.0
69.01849	1.8
69.04550	1.7
69.07062	13.8
71.04984	3.5
74.07730	1.9
75.48738	1.6
79.05479	36.3
81.03405	11.2
81.07036	53.8
83.04980	7.8
83.08619	9.3
85.02902	9.4
85.06538	2.9
85.23052	1.5
86.09696	2.9
91.05456	28.6
92.08730	10.4
92.09354	4.4
93.07017	41.0
95.04947	8.5
95.08581	31.6
97.02866	1.8
97.06540	4.3
97.10150	3.7
105.07020	14.5
107.04951	3.1
107.08564	26.3
109.06480	7.4
109.10139	49.3
111.04462	3.9
111.08078	4.3
117.07011	11.5
119.08562	22.2
121.06476	7.1
121.10135	14.1
123.08067	2.1
131.08521	15.7
133.10132	7.8
135.11673	7.8
140.30666	1.8
143.08522	3.0
145.10107	13.2
147.11626	3.2
149.13275	3.6
159.11676	9.7
161.09651	2.9
161.13220	2.3
163.11119	2.2
173.11714	9.5
173.13223	2.5
177.12868	1.8
184.07404	3.2
191.10712	2.0
220.37894	2.0
223.13229	8.2
227.12801	7.5
229.14253	29.4
243.21194	2.6
261.22067	8.7
290.66788	2.0
297.16931	11.2
304.14197	1.9
315.17844	2.4
335.25723	42.9
357.02716	2.4
465.33487	2.0
489.35437	16.0
512.15997	1.8
557.37970	11.7
575.39368	3.4
603.41766	2.4
786.47723	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	782.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
56.05024	0.4
57.03432	0.3
58.06602	0.3
60.08149	10.0
62.99275	0.2
67.05484	2.6
69.07053	1.2
69.71151	0.3
71.07348	4.4
74.85272	0.2
78.35327	0.2
79.05468	2.0
81.07031	2.9
83.04974	0.3
86.09686	47.5
91.05461	1.8
92.09198	1.6
93.07015	2.2
95.04968	0.5
95.08593	1.5
98.98438	4.0
104.10712	2.7
105.07005	1.8
106.46923	0.2
107.08552	0.5
109.10117	0.3
117.06947	0.4
119.08531	1.0
121.10120	1.2
124.99973	34.4
131.08492	0.5
133.10138	0.4
135.11642	0.4
143.01024	0.5
145.10083	0.3
147.11697	0.4
149.13268	0.3
159.11668	0.3
161.13228	0.2
184.07297	100.0
195.00175	0.8
233.54796	0.3
266.00888	0.3
322.69839	0.3
333.24155	0.3
335.25885	0.4
561.39825	0.3
585.44421	1.0
764.45166	0.3
782.56885	5.3
812.05316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.8
57.00085	1.8
57.03446	2.4
58.56228	1.9
61.02920	4.8
61.29200	1.9
67.05493	8.4
69.03436	3.2
73.02915	3.3
74.01476	1.6
79.05471	4.4
81.07062	10.8
83.08620	3.1
85.02898	2.8
86.09721	10.5
91.05477	4.5
92.08663	8.4
92.09293	11.8
93.07047	4.6
95.04977	3.2
95.08606	9.9
97.02915	2.4
106.39252	1.7
107.08623	2.6
107.10240	2.0
109.10172	2.2
119.08601	3.4
121.10132	4.8
125.00022	4.3
184.07318	18.0
185.07639	2.7
202.76712	1.8
283.15091	2.8
385.92416	2.1
501.23108	15.3
523.32257	4.2
589.88617	2.0
783.48547	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	783.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01375	0.9
55.05503	1.3
57.03433	1.4
60.08157	1.0
61.02912	6.9
67.05494	6.2
69.03416	4.6
69.07057	1.3
71.05000	0.9
73.02894	2.3
76.28805	0.9
79.05476	5.8
81.03423	1.1
81.07036	6.6
85.02885	5.1
86.09669	1.9
87.10075	1.2
87.73029	0.9
91.03936	1.8
91.05437	1.3
92.08774	4.6
92.64561	1.0
93.07041	4.0
95.08588	4.2
97.02876	5.4
98.58776	1.0
107.08615	1.9
107.90511	1.0
109.10149	1.5
114.78622	1.1
121.10152	1.3
121.37851	1.2
121.65148	1.0
124.99998	4.4
127.03838	1.1
146.69217	1.1
147.71680	1.0
157.92931	1.0
184.07283	8.8
190.77686	1.1
243.08359	1.3
505.27832	4.2
519.29346	6.2
556.09174	1.3
634.06952	1.2
783.49988	100.0
784.50201	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	784.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	31.5
57.07059	16.3
67.05485	27.4
69.03412	18.8
69.07049	81.9
73.02906	4.6
74.70503	3.3
77.78905	4.1
79.05467	18.4
81.03397	9.0
81.07032	57.3
83.04992	4.7
83.08604	31.6
85.02894	52.5
85.77940	3.8
91.05457	26.0
92.08817	23.0
93.07017	44.2
95.04930	6.4
95.08580	76.7
97.02863	9.6
97.10164	8.3
105.07028	32.9
107.08572	54.8
109.10130	78.8
114.36275	4.0
117.07000	6.4
119.08534	51.2
121.10114	39.9
123.11648	30.7
127.03864	8.1
128.06200	4.3
131.08536	29.5
133.10109	47.7
135.11679	48.0
137.13210	26.4
143.08522	6.9
145.04884	7.4
145.10103	54.5
147.04398	9.3
147.11705	35.1
149.13220	24.5
157.10046	17.3
159.11679	40.6
161.13228	41.6
163.14783	7.1
171.11568	8.3
173.11484	3.6
173.13147	29.3
175.14774	16.0
177.16362	6.0
179.14163	4.0
185.13179	22.0
186.14037	7.4
187.14806	38.9
189.16368	30.5
199.14731	20.4
201.16318	26.1
203.17932	8.0
213.16376	22.5
213.71761	4.3
215.17911	20.9
223.59367	4.2
227.17946	7.3
229.19456	51.6
241.19521	8.4
255.20967	21.7
269.22543	44.0
283.24152	24.6
297.25571	14.3
325.28687	6.3
328.61703	4.3
407.36609	100.0
409.25580	7.1
425.37668	6.2
449.28723	23.4
477.32324	5.8
587.42755	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
55.05492	1.5
56.21467	0.2
57.03433	2.3
57.07072	0.3
61.02914	8.1
61.47864	0.3
62.78504	0.2
62.90718	0.3
63.72307	0.2
65.03934	0.4
67.05495	9.6
67.32763	0.2
69.03425	3.7
69.07044	1.3
71.01330	0.5
71.04989	0.5
73.02903	5.5
79.05468	3.0
81.03387	2.0
81.07040	5.2
83.08600	1.4
85.02888	5.7
85.03352	0.3
85.06542	0.3
86.09692	2.4
87.04461	0.4
90.37255	0.3
91.03936	5.2
91.05470	2.2
92.08807	2.6
93.07030	4.7
95.04960	0.4
95.08581	3.9
97.02870	6.7
99.04414	1.1
101.02338	2.2
102.29047	0.2
103.03903	0.4
105.07018	1.2
107.08601	1.6
109.02869	1.5
109.06507	0.3
109.10146	6.4
115.03940	0.5
119.08565	1.4
121.10133	1.8
123.11679	0.3
125.00002	1.6
127.03910	2.4
131.08531	0.5
133.10107	0.5
135.11696	0.6
140.49458	0.3
145.10136	0.4
147.11626	0.3
149.09578	0.3
149.13200	0.3
155.69894	0.3
157.10086	0.2
158.67236	0.3
173.11693	1.9
179.04610	0.3
184.07304	5.3
185.04280	1.1
195.09879	1.0
203.05222	0.3
229.14325	1.1
243.08408	2.3
296.77521	0.3
335.25839	1.0
353.35367	0.3
402.97617	0.3
413.17758	10.4
431.64847	0.3
459.01978	0.4
519.29169	10.0
521.38287	0.3
642.38550	0.4
691.40173	100.0
692.40735	1.5
763.42798	0.4
780.40924	0.4
781.42114	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	781.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05499	1.5
57.03421	4.0
61.02921	7.8
66.29349	0.6
67.05493	8.7
69.03415	4.8
69.07043	1.2
73.02914	5.4
79.05054	0.6
79.05459	4.6
81.03384	4.2
81.07042	6.1
83.08620	0.9
85.02894	7.1
86.09702	3.6
91.03949	5.3
91.05476	2.6
92.08614	1.0
92.09148	3.3
93.07013	4.6
95.04945	0.7
95.08593	3.6
97.02869	6.1
97.10123	0.6
99.04396	0.6
101.02379	2.7
101.88141	0.6
105.07018	2.7
107.08595	2.7
109.02898	0.7
109.10133	6.9
115.03967	0.6
117.07047	0.8
119.08596	1.0
121.10124	2.6
125.00013	3.9
127.03944	2.9
129.45299	0.6
131.08540	1.0
133.10133	0.7
135.11714	1.1
137.41418	0.7
145.10202	0.9
173.11765	0.9
184.07335	9.0
203.05328	0.9
224.93893	0.7
225.41959	0.8
243.08463	3.0
281.34552	0.6
291.10181	0.6
315.33563	0.9
335.25797	1.3
413.17804	6.0
496.05304	0.7
519.29224	11.7
691.40167	100.0
692.40558	1.1
780.42657	1.1
781.41870	36.2
782.42261	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.0
57.03428	2.2
60.08140	0.6
60.68553	0.4
61.02916	6.4
61.08611	0.4
65.21973	0.5
67.05492	11.1
69.03421	3.3
69.07064	1.0
73.02908	4.5
79.05475	3.3
81.03407	1.8
81.07041	5.3
83.08620	0.7
85.02885	6.1
86.09693	4.9
89.88595	0.5
91.03904	3.6
91.05466	2.5
93.07006	4.2
95.08583	3.9
97.02863	5.8
98.28735	0.4
101.02373	2.0
105.07037	0.9
107.08605	1.9
109.02898	0.9
109.10136	8.5
113.72996	0.5
115.03926	0.6
119.08532	1.1
121.10136	0.6
125.00008	3.0
127.03918	1.9
133.10158	0.6
135.08044	0.5
135.11668	0.7
166.23531	0.5
173.11745	2.1
184.07309	9.8
185.07640	0.8
195.09830	0.7
229.14369	0.6
243.08383	2.8
335.25708	0.7
413.17737	14.8
519.29297	6.6
521.38177	1.0
529.34961	0.7
567.24219	0.5
640.48584	0.6
689.54059	0.6
691.40167	100.0
692.40582	2.6
735.41956	0.7
742.22382	0.5
763.44177	0.5
781.42773	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	781.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.8
57.03428	3.2
57.07047	0.4
61.02912	8.4
67.05492	10.5
69.03401	4.5
69.07051	1.4
71.01322	0.4
71.04967	0.6
73.02898	6.3
74.12256	0.3
79.05479	3.6
81.03400	2.2
81.07033	6.4
83.08582	0.6
85.02884	7.9
86.09685	3.3
87.04461	0.5
89.99379	0.4
91.03929	4.9
91.05447	2.9
92.08979	1.5
93.07020	4.7
95.07835	0.3
95.08041	0.4
95.08589	3.8
97.02865	6.8
99.04446	1.6
101.02365	3.0
103.03958	0.6
105.07016	1.9
107.08566	2.7
109.02898	0.6
109.10139	6.4
115.03937	0.4
117.07021	0.5
119.08598	1.6
121.10137	1.7
123.11678	0.3
124.99940	2.4
127.03889	2.5
131.08559	0.5
133.10159	1.3
135.11681	1.4
145.10136	0.8
149.13280	0.6
159.11691	0.5
173.11723	1.8
184.07289	7.8
185.04234	0.6
195.09912	1.6
209.14209	0.3
229.14288	0.5
243.08243	2.9
270.66516	0.4
331.93503	0.4
335.25909	2.0
413.17670	8.5
496.66901	0.4
519.29187	15.0
523.54626	0.3
559.97400	0.4
691.40125	100.0
692.40222	2.1
735.43542	0.4
781.43054	14.7
782.44299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5526
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.8
58.06325	0.1
58.06590	0.4
60.08149	9.3
67.05488	0.2
67.17799	0.1
71.07354	4.9
79.05453	0.1
81.07028	0.3
86.09686	49.3
87.10027	0.2
92.08632	0.3
92.09250	0.7
95.08589	0.2
98.98433	3.8
104.10712	2.8
105.07003	0.2
124.99975	34.3
137.25668	0.1
143.01033	0.4
151.07512	0.2
173.41605	0.1
184.07298	100.0
185.07591	0.6
314.77658	0.1
520.33350	0.1
780.55188	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	780.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44968	0.5
56.05018	0.7
57.07071	0.8
60.08154	9.1
64.08055	0.5
67.05508	0.8
70.59825	0.6
71.07020	0.5
71.07359	4.7
81.07031	1.0
86.09690	54.1
95.08579	0.9
98.98444	4.5
104.10725	3.7
107.45049	0.5
117.50323	0.6
124.99070	1.4
124.99984	34.9
146.98180	1.3
184.07303	100.0
185.07677	0.6
721.46210	0.9
780.55182	6.5
813.17279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.1
57.03432	3.6
57.07055	0.8
59.04983	0.5
60.08143	0.9
61.02912	6.4
67.05486	11.3
67.19336	0.4
69.03408	4.2
69.07049	1.8
71.01369	0.4
71.04977	0.5
71.07385	0.4
73.02901	5.3
79.05453	3.1
81.03409	2.5
81.07037	5.5
83.08586	1.8
85.02886	7.4
86.09693	5.3
87.04442	0.4
91.03931	4.2
91.05451	2.0
92.08852	2.3
93.07014	4.1
95.04946	0.8
95.08566	3.2
97.02879	5.8
97.10188	0.5
99.04455	0.7
101.02364	2.9
103.03886	0.6
104.80256	0.5
105.07052	0.6
107.04979	0.5
107.08614	1.8
109.02866	0.7
109.10143	9.0
113.83780	0.4
119.08540	0.8
121.10117	1.9
124.99934	3.8
127.03898	2.1
131.08586	0.6
135.11696	0.7
137.09570	0.4
145.10133	0.8
147.11696	0.5
150.56282	0.6
161.13289	0.5
163.11230	0.6
173.11732	2.7
184.07294	10.7
185.04173	0.7
185.07796	0.5
195.09921	0.8
229.14362	2.1
243.08298	3.0
335.25806	0.8
382.31577	0.5
386.23975	0.4
413.17703	15.5
519.29230	8.3
521.38324	2.5
579.89594	0.6
579.98761	0.5
691.40149	100.0
692.40527	0.8
735.43390	0.8
781.42877	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	780.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.6
57.03417	3.7
60.08146	0.5
61.02884	0.8
67.01861	0.8
67.05476	1.3
69.03105	0.7
69.03419	8.6
69.07043	1.2
70.06629	0.5
79.05474	1.0
80.18236	0.5
81.03397	37.8
81.07019	2.7
83.08600	0.6
85.02887	1.1
86.09686	6.0
92.08875	4.0
93.07024	0.7
94.39275	0.6
95.08579	1.0
97.02869	16.9
98.98419	0.6
99.04449	3.0
109.02860	100.0
109.10063	0.7
117.05460	0.8
124.99968	4.4
127.03889	18.4
139.03865	3.0
159.06494	22.2
169.04913	10.7
184.07295	13.3
187.06007	2.3
220.41066	0.7
224.44518	0.6
229.07031	5.8
289.09238	1.3
397.29324	1.1
429.96207	0.7
691.39862	1.2
779.41852	2.6
780.42090	5.3
781.41400	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.8
55.13089	0.3
57.03423	2.8
59.42734	0.3
61.02913	5.7
67.05481	4.6
69.03423	3.1
69.07055	0.6
70.50281	0.3
71.04962	0.8
73.02899	4.5
79.05471	3.5
81.03405	3.3
81.07043	5.1
83.08618	0.4
85.02882	4.7
87.04424	0.4
91.03930	3.7
91.05462	3.1
92.08991	2.8
93.07020	4.0
95.04948	0.4
95.08581	3.1
97.02867	5.4
97.06523	0.6
99.04414	0.5
101.02369	2.0
105.07015	1.9
107.08588	2.1
109.02887	0.5
109.10123	0.7
115.03910	0.4
119.08572	0.8
121.10136	2.3
125.00067	0.4
127.03896	1.9
131.08559	1.4
133.10159	1.6
147.11617	0.5
149.09660	0.8
184.07324	0.8
185.04211	0.5
193.12398	0.4
218.33188	0.5
243.08372	3.2
283.15067	6.4
335.25912	1.5
439.80109	0.4
501.23065	7.2
519.29193	8.1
531.90771	0.4
635.41974	0.4
638.64069	0.4
779.45380	100.0
780.46112	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	779.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35129	0.4
55.05505	2.4
57.03423	2.4
58.22437	0.4
60.08147	0.7
61.02912	6.1
67.05508	4.2
69.03426	3.7
69.07055	2.9
72.44475	0.4
73.02901	4.9
73.93311	0.4
76.05728	0.4
79.05476	5.1
81.03412	5.2
81.07036	5.1
82.56329	0.5
83.04977	1.0
83.08617	2.0
85.02896	7.5
86.09699	5.7
91.03954	1.8
91.05491	3.8
92.09060	0.8
93.07044	3.2
95.04955	2.4
95.08602	3.3
97.02890	4.3
97.06519	1.0
101.02341	0.7
105.07005	3.5
107.08580	1.7
109.02867	0.5
109.10136	0.5
111.08050	0.7
115.03885	0.5
117.07035	0.9
119.08578	2.6
121.10153	0.8
125.00009	3.1
127.03921	1.1
129.07030	1.8
131.08551	0.8
133.10132	2.7
141.87512	0.5
145.06380	0.6
145.10088	0.5
147.11691	1.1
184.07307	14.8
193.12294	1.1
195.51610	0.5
211.13347	1.0
243.08418	4.3
251.12402	0.9
285.17133	0.6
301.08920	0.8
326.85449	0.5
333.20221	3.6
469.20389	10.9
551.28204	4.4
779.41736	100.0
780.41901	3.6
790.09882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.7
60.08147	3.6
67.05492	3.9
69.07045	3.1
79.05458	3.4
81.07041	7.5
86.09691	19.3
91.05438	2.6
93.07016	4.0
95.08572	3.5
107.08655	2.0
114.37395	1.9
124.99986	14.4
131.08643	2.0
184.07310	37.1
209.11650	2.4
214.47485	1.9
312.82761	2.1
345.44177	2.1
675.43726	2.3
779.39520	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	779.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
55.05505	2.5
57.03410	2.6
58.76577	0.3
61.02917	5.6
67.05495	5.1
69.03410	3.3
69.07046	1.8
71.01370	0.4
71.04980	0.8
73.02900	4.5
79.05476	4.1
81.03404	5.1
81.07040	6.4
83.04966	1.6
83.08617	1.8
84.76505	0.3
85.02886	7.0
85.90170	0.4
86.09693	2.2
91.03944	4.1
91.05461	5.3
92.08974	3.4
93.07016	4.1
95.04934	2.5
95.08604	2.1
97.02861	6.0
97.06513	1.4
99.04405	0.6
101.02381	2.3
105.07018	2.8
107.04923	0.6
107.08596	2.5
109.02868	0.6
109.06555	0.5
109.10182	0.8
111.08083	0.5
117.06995	0.6
119.08575	3.6
121.10139	1.6
124.99992	2.1
127.03884	0.9
129.07013	1.9
131.08582	2.2
133.10136	2.0
137.05966	3.7
138.06241	0.5
145.10126	0.8
147.11713	1.8
149.09654	0.8
157.10124	0.7
159.11653	0.5
175.11243	0.8
184.07310	6.6
185.04253	0.7
185.07709	0.4
193.12242	1.6
211.13377	0.8
221.11559	0.5
243.08403	3.8
251.12598	1.6
281.99127	0.4
285.16855	0.6
307.15182	0.5
333.20224	2.8
404.90131	0.4
439.19394	0.8
453.20911	0.7
462.94489	0.4
469.20309	13.6
551.28241	4.6
779.41724	100.0
780.41742	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.9
58.55355	1.1
63.08062	1.1
67.05493	2.8
69.03401	1.2
69.07050	1.7
79.05487	2.5
81.03443	1.7
81.07033	8.1
83.08626	1.3
86.09691	7.3
91.05451	5.4
92.08679	2.6
92.09296	4.7
93.07023	7.1
95.04941	1.7
95.08592	5.5
105.03397	5.9
105.07025	6.4
106.42268	1.2
107.08601	7.6
109.10158	6.5
117.07047	1.9
119.08571	2.7
121.10139	2.5
124.99980	3.0
133.10117	2.1
135.11702	1.5
145.10117	1.3
147.04434	1.9
181.25031	1.2
184.07297	21.0
256.42593	1.5
276.33197	1.4
278.95282	1.3
465.65768	1.3
480.98224	1.6
570.01947	1.4
732.26117	1.2
779.17841	100.0
780.17993	1.5
788.53369	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81636	1.2
55.05508	2.1
67.05491	2.2
69.03417	2.4
69.07037	1.5
71.04969	1.9
73.02886	1.3
79.05493	3.5
79.17471	1.4
81.03396	10.2
81.07051	8.3
85.02903	2.7
86.09695	2.6
89.03902	2.3
91.05465	2.4
92.42078	1.5
93.07036	6.9
95.04947	3.1
95.08587	6.1
97.02860	2.5
99.04448	2.6
103.96999	1.6
105.03357	11.8
105.07009	1.9
107.08594	3.5
109.02872	8.8
109.06500	2.7
109.10146	3.8
119.08547	2.4
119.37354	1.8
121.10143	2.9
127.03898	2.1
135.04390	8.2
137.05959	2.4
145.02914	6.6
145.10136	1.8
157.10065	2.1
163.03865	41.4
169.05028	6.9
184.07210	4.7
185.02098	2.8
191.03122	3.2
209.04234	3.0
251.05350	11.1
269.06342	3.2
276.42160	1.8
311.07437	2.7
329.08374	8.7
421.48215	1.8
431.09564	7.2
473.10785	2.3
491.11502	90.3
492.11649	1.8
654.90070	2.0
674.33960	13.4
675.33905	3.1
778.37897	2.5
779.19781	100.0
779.40588	2.6
780.20166	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	779.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.7
60.08147	3.6
67.05492	3.9
69.07045	3.1
79.05458	3.4
81.07041	7.5
86.09691	19.3
91.05438	2.6
93.07016	4.0
95.08572	3.5
107.08655	2.0
114.37395	1.9
124.99986	14.4
131.08643	2.0
184.07310	37.1
209.11650	2.4
214.47485	1.9
312.82761	2.1
345.44177	2.1
675.43726	2.3
779.39520	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	779.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77557	1.3
62.04664	1.1
65.61441	1.2
67.05479	1.5
71.04999	1.1
76.01646	1.0
80.79919	1.2
81.07041	1.6
82.99200	1.2
83.41560	1.4
91.05471	2.1
92.08661	3.1
92.09261	3.9
100.65919	1.3
105.07020	1.6
125.00062	1.7
147.04427	6.4
184.07320	3.0
194.55048	1.3
220.62732	1.6
249.45305	1.4
266.09360	1.4
278.48041	1.2
340.26370	1.4
351.21890	1.4
353.96649	1.4
491.09628	21.1
772.02002	1.5
779.17773	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.4
55.05506	37.0
57.03426	26.5
57.07068	13.3
67.05492	38.6
69.03423	3.5
69.07052	43.2
69.21207	1.7
71.04988	1.9
71.08590	4.2
79.05470	22.7
81.03400	100.0
81.07038	39.6
83.04971	4.2
83.08603	48.9
85.10149	2.9
86.09680	8.9
91.05452	24.4
93.07018	22.5
95.04949	30.7
95.08573	38.4
97.02872	3.6
97.06470	3.1
97.10143	20.5
105.07017	16.3
107.04955	9.8
107.08583	15.9
109.06491	4.8
109.10186	17.8
111.08056	8.2
111.11703	3.0
119.08556	15.0
121.06483	2.9
121.10130	19.0
123.11622	3.4
124.99988	3.5
129.06982	5.0
131.08536	10.6
133.06473	4.7
133.10114	2.6
135.11687	13.7
137.13333	2.5
147.08028	4.5
147.11702	5.0
157.10132	14.1
158.41145	2.7
175.11124	10.6
184.07330	20.2
193.12215	32.9
265.25406	2.3
267.15845	96.9
317.67044	2.6
339.28873	91.1
443.48126	2.4
452.81964	2.4
531.32758	3.3
531.40369	87.2
549.41461	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	778.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06202	0.1
55.78977	0.1
56.05024	0.5
58.06583	0.2
60.08150	8.6
60.93257	0.1
71.07356	3.9
79.05493	0.1
81.07066	0.2
86.09688	46.3
92.08841	0.6
93.07024	0.2
98.98447	4.4
104.10725	2.6
124.99976	34.3
128.15417	0.1
143.00999	0.3
184.07303	100.0
185.07657	0.5
185.40202	0.1
518.32001	0.1
778.53784	4.9
779.52802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.9
56.05030	0.5
57.03429	6.1
57.07065	0.6
59.04973	0.4
59.13620	0.3
60.07867	0.5
60.08152	9.8
61.02890	1.8
65.03912	0.6
66.29856	0.3
66.85802	0.4
67.05493	25.6
68.77683	0.4
69.07042	6.2
71.04955	0.5
71.07359	4.6
73.02883	0.4
74.06847	0.3
77.39778	0.4
79.05476	20.5
81.07040	24.4
83.04951	0.5
83.08588	2.4
85.02903	0.8
86.09692	47.3
91.05460	10.2
92.08908	2.0
93.07023	21.0
95.04952	2.7
95.08587	18.6
97.02905	0.4
97.06489	0.8
97.10118	0.8
98.98453	4.4
104.10725	3.4
105.07021	9.2
107.08577	12.8
109.06504	0.7
109.10134	8.0
117.07010	4.0
119.08559	6.6
121.10120	7.5
123.11678	1.6
124.99986	35.2
129.06937	0.8
131.08551	4.9
133.10117	4.6
135.11673	4.3
143.01068	0.7
143.08557	0.8
145.10100	5.0
147.11665	2.5
149.13245	2.3
157.10063	0.4
159.11658	3.7
161.13206	2.2
163.14780	0.6
171.11684	0.8
173.13235	2.0
175.14874	0.4
184.07307	100.0
187.14787	0.5
191.63106	0.4
229.19640	0.4
245.19008	0.8
247.20500	2.0
259.20367	0.6
261.22113	2.4
321.24136	12.4
323.22159	0.4
323.25766	1.4
333.24335	0.6
335.25717	14.9
337.27390	0.6
425.58829	0.4
498.78409	0.4
509.69562	0.5
581.45667	5.0
599.46613	5.3
778.54211	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	778.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.9
55.05490	1.0
57.03433	0.5
65.03932	3.9
66.04696	0.5
67.05486	4.5
69.03416	2.7
69.07055	1.1
71.04973	0.7
75.04469	0.7
76.56369	0.4
78.04703	0.5
79.05475	7.7
81.03407	4.2
81.07041	2.8
82.04189	1.2
83.21205	0.5
85.02893	6.3
91.05458	5.2
92.63909	0.6
93.03384	1.0
93.07020	2.6
95.04960	6.6
95.08588	2.1
97.02868	2.2
97.06509	2.8
97.10177	0.9
101.05967	0.6
103.05452	25.0
105.03374	5.7
105.04480	0.7
105.07015	13.3
106.04195	0.8
107.04942	15.4
107.08556	1.9
109.02869	1.2
109.06520	2.1
109.10162	1.2
110.03632	2.7
111.04410	1.2
111.08089	1.0
115.05436	7.5
116.06215	0.7
117.07015	7.4
118.04150	6.4
119.04900	2.6
119.08570	2.7
120.05766	0.7
121.06493	4.2
121.10128	2.5
122.08106	1.2
123.04405	5.4
123.11708	0.7
124.05186	2.3
125.05985	4.1
127.03870	0.9
129.07019	2.1
130.04134	1.1
131.04912	31.5
131.08569	2.1
132.05676	2.2
133.02832	2.1
133.06473	12.8
133.10107	0.7
134.03604	0.7
135.04379	1.0
135.08026	3.8
137.05956	6.7
138.03201	0.6
139.07619	0.5
139.11095	0.7
141.06972	1.1
141.75854	0.5
142.02589	2.1
143.01781	0.5
143.04881	1.0
144.05658	3.5
145.02824	1.0
145.06474	9.9
145.10056	1.0
146.03596	1.2
146.07211	0.7
146.18451	0.5
147.04399	5.9
147.08054	4.3
147.11783	0.7
147.92062	0.7
148.05173	14.7
149.05940	3.1
151.03897	4.4
151.07555	1.0
152.04651	2.2
153.05450	6.1
155.06000	0.9
156.05701	0.8
157.06418	2.2
159.04410	1.1
159.08022	3.0
160.05133	0.9
161.05962	13.7
161.07294	0.5
161.09575	0.8
162.06708	1.0
163.03886	0.6
163.07513	34.5
164.08214	0.9
165.05466	2.1
165.09088	0.9
167.07008	77.9
168.07324	0.6
171.06564	6.7
172.05121	0.6
173.05946	10.7
174.06686	1.1
175.07516	4.8
175.14728	0.5
176.04662	3.1
177.05421	3.0
177.09145	1.2
177.95634	0.6
179.06958	2.7
179.08449	1.1
181.04930	98.2
184.05202	0.6
186.06854	0.6
187.07486	4.4
189.05417	2.0
190.06180	3.7
191.07005	100.0
192.07668	1.2
193.04926	1.9
193.08606	3.5
195.06471	3.4
195.37082	0.5
201.05354	3.4
202.06230	0.6
203.07001	4.0
205.08565	6.1
207.06396	1.9
207.08156	1.1
207.10115	2.8
209.08055	2.2
213.05461	0.6
217.08568	4.4
219.06271	0.6
219.08179	1.7
219.10162	5.7
220.07243	0.7
221.06041	1.0
221.07980	1.3
225.07426	1.2
229.08487	0.6
233.08014	6.1
235.07416	2.0
235.09645	6.8
236.08260	0.6
237.09047	0.7
245.08096	2.3
247.07561	1.2
252.07832	0.8
257.08130	0.9
263.09100	32.7
264.07593	0.6
265.08450	0.9
267.10056	4.1
269.07980	0.6
277.08459	0.7
279.10284	0.5
287.09161	0.5
295.09656	1.2
297.11200	2.4
307.06375	0.6
307.09760	2.1
323.08954	0.7
324.09961	0.6
325.10596	3.2
327.12061	0.9
329.10373	0.5
331.11819	0.8
337.10657	1.0
339.12296	1.0
357.13315	6.3
359.14551	0.8
367.11737	2.5
369.13245	1.1
371.14905	1.0
381.13245	1.1
385.12808	10.6
387.14166	1.1
399.14337	5.3
417.15375	44.0
581.23627	0.9
582.20221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81615	0.5
55.05499	3.6
56.88108	0.5
57.03427	2.9
58.30684	0.5
61.02911	9.6
67.05498	9.1
69.03409	4.5
69.07055	2.9
71.04966	0.8
73.02905	6.8
77.29147	0.6
79.05471	8.9
81.03411	3.8
81.07035	10.3
83.04932	0.8
83.08607	1.0
85.02888	7.6
86.09683	0.9
87.04473	0.6
88.71430	0.5
91.03942	3.5
91.05469	3.5
91.80569	0.5
92.08883	2.8
93.07014	7.0
95.04933	1.1
95.08578	7.2
97.02873	7.2
97.06512	0.7
99.04445	1.0
100.06596	0.6
101.02361	1.3
105.07051	2.6
107.08596	3.7
109.02850	1.0
109.06497	1.1
109.10168	2.8
117.07021	0.7
119.08575	3.0
121.10126	2.1
123.08145	0.6
124.99986	0.7
127.03938	1.2
131.08563	2.1
133.10117	1.0
135.11726	2.7
145.10120	2.5
147.11710	0.7
159.11720	0.7
163.11198	2.5
184.07343	1.1
185.04312	0.6
223.13435	0.6
243.08504	2.1
281.13501	9.1
336.25717	0.6
337.16321	0.7
374.55603	0.6
467.18329	0.8
499.21524	5.9
519.29095	8.5
605.47583	0.8
777.43793	100.0
778.44067	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	778.327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52312	0.4
54.81857	0.4
55.01847	2.7
55.05482	0.8
57.03413	0.9
65.03925	3.9
67.05476	2.9
68.99734	0.5
69.03401	2.9
69.07046	0.5
75.89707	0.4
78.04702	0.7
79.05476	6.6
80.11770	0.4
81.03397	5.0
81.07047	4.1
81.07446	0.7
81.97403	0.5
82.04174	0.8
83.04929	0.8
85.02881	7.3
86.42416	0.4
88.75521	0.5
91.05450	6.2
92.09248	2.9
93.03369	0.8
93.06990	2.0
95.04929	4.6
95.08579	1.2
97.02843	0.9
97.06499	3.5
97.10138	0.8
102.04671	0.4
103.05439	24.5
105.03347	5.4
105.04433	0.7
105.07000	9.9
107.04931	15.3
107.08559	1.0
108.02103	0.7
109.02845	2.1
109.06484	2.4
109.10096	0.6
110.03615	2.2
111.04409	2.7
111.08081	0.8
115.05415	8.2
117.06986	6.9
117.86239	0.4
118.04129	7.1
119.04883	2.8
119.08580	3.4
120.05722	0.5
121.06472	3.9
121.10123	2.0
122.03593	0.5
123.04379	5.1
123.08015	0.8
123.11623	0.8
124.05157	3.5
125.05945	4.3
127.03846	1.9
127.07528	0.6
128.12544	0.5
129.06978	2.4
130.04097	2.3
131.04898	28.0
131.08531	2.2
132.05658	2.9
133.02821	2.3
133.06454	10.6
133.10078	1.9
134.03583	1.1
135.04349	0.9
135.08035	3.1
135.11647	0.7
137.05951	5.3
137.09552	0.7
138.03114	0.9
141.06961	1.9
142.02533	2.5
143.04872	2.6
143.21288	0.5
144.05701	2.6
145.06473	10.6
145.10080	0.7
146.03616	1.1
146.07129	0.6
147.04382	7.5
147.07991	2.5
148.05164	14.2
149.05942	3.1
150.06688	0.6
151.03886	4.3
151.07512	1.2
152.04623	2.3
153.05402	3.5
154.32169	0.5
155.06042	2.1
156.05685	0.6
157.06445	2.3
157.40749	0.5
159.08014	2.8
160.05092	2.0
161.05937	12.3
162.06677	1.0
163.03842	1.0
163.07500	34.7
165.05426	2.1
165.09148	0.8
167.06993	79.8
168.07336	1.2
169.06421	0.6
171.04263	0.6
171.06540	5.2
173.05943	11.1
174.06718	0.7
175.07498	5.1
176.04643	2.4
177.05447	2.3
177.09100	1.1
179.06969	3.0
180.07843	0.5
181.04912	100.0
182.05270	1.0
185.05927	0.8
187.07480	5.5
189.05396	1.1
189.09033	0.6
190.06178	3.0
191.06989	98.3
192.07500	2.0
193.04840	2.6
193.08632	3.8
195.06448	4.2
195.08063	0.8
201.05449	2.6
202.06157	1.0
203.06944	4.2
205.06683	0.9
205.08508	6.3
207.06418	1.0
207.08202	1.1
207.10103	3.2
209.07974	2.3
217.08531	3.4
219.06393	0.8
219.10049	4.9
221.06071	0.6
221.08029	2.0
223.07507	0.6
223.09444	0.6
225.07457	0.9
229.08479	0.7
233.05823	1.0
233.07916	6.8
234.06584	0.6
234.08734	0.6
235.07471	2.2
235.09592	8.2
236.08319	0.7
237.09071	1.0
245.08072	2.5
247.07500	1.1
248.08293	0.6
251.09099	0.6
252.07756	1.0
261.11267	0.6
263.06915	1.5
263.09094	30.2
265.08487	2.0
267.10147	5.0
269.07977	0.8
276.07974	0.7
277.08450	0.7
279.10089	1.1
280.07239	0.8
281.07864	0.7
283.02637	0.5
286.64517	0.6
293.07956	0.7
295.09689	2.0
297.11087	3.1
307.09677	1.8
309.07501	0.7
313.10638	0.7
324.09897	0.7
325.10712	2.9
335.08694	0.6
337.10541	0.6
339.12177	1.1
348.62900	0.5
355.11472	1.0
357.13211	6.9
359.14569	1.8
367.11667	2.0
369.13229	0.9
371.14932	0.6
381.13376	0.7
385.12683	12.6
387.14163	1.2
389.15460	0.9
399.14294	5.9
417.15314	42.8
418.15570	1.0
581.22797	0.8
582.20026	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
55.05503	1.7
57.03431	2.5
61.02911	7.7
61.03204	0.3
67.05494	6.1
69.03415	3.7
69.07054	1.6
69.86072	0.2
70.54151	0.2
70.55013	0.2
71.01359	0.2
71.04972	0.6
72.10826	0.2
73.02893	5.2
73.03224	0.3
79.05473	5.1
81.03394	2.1
81.07029	5.6
81.07461	0.3
83.04987	1.3
83.08601	0.3
85.02885	7.3
85.03352	0.3
86.09715	0.3
87.04444	0.3
91.03940	3.6
91.05447	2.4
92.08981	2.2
93.07024	4.8
95.04931	0.8
95.08588	3.5
97.02869	4.8
97.06561	0.4
99.04456	1.3
101.02361	2.1
101.69157	0.2
103.03983	0.3
105.07045	1.5
107.08583	2.1
109.02874	0.5
109.10113	1.7
111.04439	2.3
111.08089	0.6
115.03930	0.9
117.07069	0.6
119.08581	1.7
121.10104	2.6
127.03904	2.0
131.08586	1.2
131.09744	0.2
133.10143	0.5
135.11665	1.7
145.05023	0.3
145.10161	1.0
147.11696	0.6
149.13286	0.3
153.12740	0.5
163.11127	2.6
173.09694	0.4
181.12215	2.0
185.04266	0.5
191.10706	1.5
209.11772	0.5
227.12764	0.5
243.08336	2.6
251.12645	0.3
281.13531	14.2
335.25711	0.6
337.16290	0.9
499.21307	5.3
511.05322	0.3
519.29150	7.4
579.94794	0.3
718.36517	0.3
777.43799	100.0
778.43805	3.2
806.80438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81250	0.6
55.05502	3.3
57.03427	3.6
61.02928	6.3
61.45082	0.6
67.05495	11.2
69.03413	4.0
69.07068	4.8
73.02908	3.7
79.05473	5.6
81.03401	7.0
81.07043	10.2
82.03759	0.7
83.04973	2.4
83.08616	3.0
85.02905	5.5
91.03950	3.9
91.05482	3.9
92.08928	1.0
93.07037	6.1
93.83703	0.7
95.04974	2.9
95.08596	7.4
97.02889	4.2
97.06529	1.4
99.04463	0.8
101.02325	2.0
105.07053	1.5
107.08615	3.4
109.10173	4.2
111.04435	4.6
111.08103	1.3
115.03930	1.0
119.08562	2.4
121.10143	3.3
123.08144	0.6
127.03899	2.2
131.08568	1.1
133.10095	0.9
134.61131	0.6
135.08075	0.8
135.11708	2.8
147.11671	0.9
153.12810	1.4
162.31075	0.6
163.11205	3.8
165.89857	0.7
173.09619	0.8
181.12250	4.3
184.07388	0.8
191.10715	2.9
193.12268	1.0
209.11797	0.8
215.76459	0.6
227.12808	1.5
230.49190	0.7
243.08492	2.6
251.12833	0.6
254.96461	0.6
267.15799	2.3
268.16196	0.7
281.13589	10.1
288.83630	0.7
316.17517	0.6
337.16180	1.5
337.27466	2.7
338.27628	1.0
420.47433	0.6
462.79288	0.7
499.21414	12.3
519.29297	4.3
529.38965	2.6
530.39520	0.7
547.40155	1.0
548.40350	1.1
562.84607	0.8
668.74799	0.7
777.43805	100.0
778.43848	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	777.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
57.03424	2.9
61.02916	6.6
63.51044	0.6
67.05484	6.4
69.03407	3.5
69.07061	0.9
71.01316	0.7
71.04964	0.8
73.02896	4.1
74.67414	0.6
79.05476	5.3
81.03391	3.7
81.07053	5.5
83.04964	1.1
83.08611	1.3
85.02880	6.0
86.09689	1.0
87.12393	0.6
91.03946	1.5
91.05477	2.9
93.07015	6.5
95.08591	3.8
97.02860	5.9
97.06524	0.9
99.04431	1.1
101.02386	0.9
105.07066	2.6
107.08594	1.5
109.10173	0.9
111.04448	1.2
111.06372	0.6
117.07018	0.9
119.08533	2.5
121.10125	1.2
121.27084	0.6
124.47079	0.6
125.00006	0.9
131.08588	1.2
133.10107	1.2
135.08096	0.8
135.11699	1.4
145.10139	3.1
163.11186	3.9
172.69116	0.6
180.19676	0.6
184.07285	4.5
209.11546	0.8
218.28668	0.6
223.13304	1.0
243.08345	2.7
251.12537	0.7
271.06195	1.4
281.13483	6.3
333.15302	1.1
337.16202	1.2
478.72748	0.7
499.21420	10.6
519.29181	3.5
777.43793	100.0
778.44220	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	777.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	33.9
57.03419	0.4
57.07061	0.8
59.04985	1.5
67.05495	2.3
69.03412	1.9
69.07043	1.3
71.04963	1.2
72.07497	0.2
79.05457	0.8
81.03385	0.2
81.07039	3.3
83.04962	17.9
83.08600	24.0
85.02888	0.9
85.06522	2.1
91.05442	0.2
92.08917	0.3
93.07024	3.3
95.04955	2.1
95.08586	2.6
97.06516	2.7
97.10152	4.5
99.08064	1.0
105.07002	1.1
107.07862	0.4
107.08577	9.3
109.02843	0.2
109.06506	1.5
109.10136	12.0
111.08060	5.6
112.08826	0.3
113.09629	1.2
119.08542	0.3
121.10107	5.3
123.11679	6.0
125.09603	6.0
127.03900	0.4
127.07494	0.3
131.08556	0.3
133.10092	2.7
135.08066	0.3
135.11699	0.2
139.11078	0.2
142.76912	0.2
147.11597	0.3
149.13220	3.9
151.11156	34.2
153.09076	0.5
163.14775	0.3
167.14276	45.5
173.13191	1.2
180.02689	0.2
185.24829	0.2
191.14323	0.3
209.15329	100.0
210.15666	1.1
371.20755	0.4
772.01953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.05502	3.0
56.96549	1.0
57.03431	3.8
61.02907	5.5
63.73573	0.4
67.05492	8.1
69.03418	4.2
69.07068	2.9
71.04970	0.8
73.02901	5.3
79.05479	7.1
81.03399	5.3
81.07048	7.3
83.04992	1.9
83.08611	2.0
85.02895	5.9
86.09730	1.6
91.03947	3.2
91.05481	6.7
92.08775	1.0
92.09283	0.7
93.07030	8.6
95.04449	0.4
95.04978	2.9
95.08582	4.0
97.02874	5.4
97.06496	0.6
97.10145	0.5
98.97569	4.4
99.04487	1.0
101.02377	2.0
105.07018	4.7
105.90156	0.4
107.04965	1.1
107.08605	4.5
109.06535	1.8
109.10139	3.6
116.98640	1.5
117.07014	1.8
119.08574	2.8
121.10120	1.7
123.08035	0.5
124.99961	0.7
127.03916	2.4
128.98634	1.0
129.07043	0.6
131.00185	0.9
131.08577	2.5
133.10141	2.6
134.99678	1.1
135.11681	2.7
145.10126	2.5
146.99641	0.9
147.11708	1.8
149.01247	3.0
150.18707	0.5
158.99678	1.1
159.11740	0.8
161.13268	0.7
163.11163	2.3
170.99626	0.8
177.00751	2.3
184.07300	3.5
185.04312	0.6
189.00763	2.1
190.01143	0.5
219.01817	0.7
237.02922	0.5
243.08360	3.2
267.15784	0.7
279.03821	0.9
283.15497	0.6
293.05435	0.8
321.04984	2.0
331.18872	0.7
333.20483	0.9
455.10425	0.9
467.18753	7.7
469.20441	2.7
483.85059	0.5
549.27155	0.5
551.28326	4.3
717.31921	1.8
777.40143	100.0
778.40613	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05502	3.0
57.03431	3.2
61.02918	7.1
61.37506	0.2
63.08477	0.2
64.33006	0.3
67.05490	3.9
69.03420	4.0
69.07046	2.8
71.04958	0.4
73.02902	4.4
75.01323	0.3
79.05479	5.5
81.03403	4.6
81.07034	4.4
83.04962	0.7
83.08601	1.4
85.02895	7.0
85.14027	0.3
86.09666	0.5
91.03943	3.1
91.05472	4.0
92.08763	0.4
92.09237	0.4
93.07027	3.9
95.04959	1.9
95.08578	2.3
96.86591	0.3
97.02868	5.1
97.06552	0.4
97.10157	1.4
98.30651	0.3
99.04420	0.5
101.02383	1.9
105.06998	3.0
107.04981	0.6
107.08586	2.1
109.02878	1.4
109.06512	0.5
109.10157	1.5
115.03953	0.5
117.07013	0.3
119.08562	2.3
121.10156	1.2
123.08021	0.5
125.09631	0.6
127.03891	1.3
129.07001	1.2
131.08542	0.8
133.10141	1.7
135.08076	0.3
135.11711	0.5
138.28467	0.3
145.10075	0.7
147.11708	0.7
157.10150	0.5
161.08183	0.3
163.11203	0.7
184.07367	1.3
185.04256	0.4
193.12279	0.6
223.13219	0.7
226.42090	0.3
241.06906	0.3
243.08398	4.3
251.12537	0.3
264.96024	0.3
285.54178	0.3
291.19592	1.4
305.13559	0.4
305.41849	0.3
331.18890	1.8
333.20197	1.0
443.19235	0.4
453.21133	0.3
467.18842	4.1
469.20364	9.6
549.26947	2.3
551.28333	1.6
569.27020	0.4
679.32782	0.4
777.40161	100.0
778.39984	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	777.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.1
55.95377	0.9
57.03419	4.5
61.02909	2.6
62.48537	1.1
67.05505	5.0
69.03427	2.0
69.07059	1.7
73.02904	6.1
79.05491	4.8
80.48938	1.2
81.03422	6.2
81.07059	8.8
83.04993	1.4
84.06423	1.1
84.70750	1.0
85.02913	6.6
86.09712	2.2
86.85385	1.1
91.03927	2.0
91.05470	8.6
92.63653	1.2
92.90472	1.2
93.07054	5.3
95.04957	2.3
95.08613	2.3
97.02886	4.7
97.06503	1.4
101.02336	1.6
104.10715	1.6
105.07047	2.2
107.08618	2.4
111.08099	1.6
117.07008	1.7
119.08604	2.6
133.10150	2.7
166.40598	1.3
170.14606	1.4
175.11183	1.3
184.07397	4.7
193.12312	1.7
220.44749	1.2
225.87186	1.1
243.08565	1.7
271.46143	1.4
282.24625	1.2
321.82797	1.4
330.67847	1.2
346.60260	1.3
349.30261	1.1
469.20285	8.3
693.48792	1.3
723.34479	1.2
759.39661	1.5
777.39838	100.0
778.39545	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81937	0.5
55.01863	5.9
55.05503	48.0
57.03427	19.3
57.07058	3.1
57.15240	0.5
59.04976	3.1
60.08142	1.2
60.62340	0.6
61.02898	4.8
65.03918	2.7
67.05491	100.0
68.05821	0.6
69.03408	2.7
69.07053	20.9
71.01327	1.1
71.04957	3.9
73.02898	1.2
79.05472	52.8
81.03400	6.6
81.07036	60.9
82.39789	0.5
83.04956	6.3
83.08601	14.9
85.02885	15.0
85.06523	3.0
86.09683	8.7
87.04438	4.5
91.03926	1.0
91.05458	26.8
92.09160	0.9
93.07020	47.3
95.04935	6.5
95.08582	40.3
95.09198	1.1
97.02859	5.5
97.06497	5.3
97.10144	16.5
99.04383	0.6
105.04503	0.6
105.07006	16.7
107.04937	1.3
107.08580	25.6
109.06507	2.3
109.10136	45.8
110.10448	0.6
111.04443	2.4
111.08047	2.9
111.26745	0.5
114.61530	0.6
117.06994	8.1
119.08554	14.3
121.06501	1.2
121.10112	17.6
123.08064	1.1
123.11674	2.3
124.99978	7.2
125.09600	13.4
129.06990	2.1
131.08545	11.2
133.10103	10.1
135.08067	2.2
135.11668	10.0
137.09586	1.0
142.90936	0.6
143.08434	1.1
143.10635	1.4
145.10095	8.3
147.11658	5.1
149.09578	1.4
149.13243	4.7
153.12717	0.9
153.95763	0.6
154.34958	0.6
155.08549	1.0
155.10576	0.7
157.10132	0.8
159.11589	4.4
161.13245	4.6
163.11160	3.7
163.14801	1.0
165.12659	0.7
171.11674	1.2
173.11708	7.5
173.13231	3.0
175.11258	0.6
175.14799	1.0
177.59035	0.7
184.07309	20.7
185.13280	0.7
187.14851	2.3
189.12741	0.7
191.10680	0.6
193.12123	0.8
199.13214	5.0
201.16325	0.6
209.11682	2.5
211.13029	0.7
211.14957	0.7
227.12686	5.8
229.14294	25.2
243.20944	2.9
245.13783	2.4
246.17201	0.7
261.22064	7.5
267.15845	3.3
283.15332	2.3
289.21591	1.2
301.16385	12.6
317.24768	0.8
327.23056	0.7
333.24237	0.9
335.25723	39.2
336.26270	0.8
340.36334	0.6
363.25177	2.3
459.34396	0.7
477.35770	6.1
489.35773	8.8
525.35632	0.8
543.36890	5.5
558.56885	0.6
561.37756	8.2
578.41003	0.7
579.38513	0.9
648.94299	0.6
672.42163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.5
55.05502	41.4
55.39594	0.9
57.03425	21.8
57.62395	1.0
59.04983	1.8
61.02906	5.2
61.82575	0.9
65.03394	0.9
65.03914	2.2
67.05489	100.0
69.03407	2.6
69.07047	15.4
71.01342	1.3
71.04975	4.5
73.02890	1.6
79.05470	50.8
81.03394	5.3
81.07034	66.5
83.04980	7.7
83.08593	15.0
85.02885	11.1
85.06523	1.8
86.09651	1.0
87.04457	4.1
88.33514	0.9
91.05450	31.7
92.08981	7.3
92.64523	1.0
93.07014	52.6
95.04953	9.4
95.08580	40.3
95.09184	1.2
97.02888	7.4
97.06478	4.4
97.10146	15.4
100.05746	0.9
101.43470	1.1
105.07013	21.7
107.04928	4.1
107.08570	29.4
109.06516	2.1
109.10139	36.6
109.10849	1.8
111.04429	1.8
111.08086	1.4
117.06983	10.3
119.08544	16.3
121.06521	1.2
121.10117	24.1
123.08108	1.7
123.11679	4.7
125.09618	9.9
129.06976	2.2
131.08525	13.2
132.58072	1.0
133.10088	12.7
135.08006	1.2
135.11609	11.5
137.09569	1.9
139.11142	1.1
143.08559	2.3
145.10071	11.8
147.11674	5.7
149.09570	2.6
149.13260	4.3
156.43127	1.1
157.10123	1.2
159.11671	6.3
161.13261	2.6
163.11174	6.1
163.14725	1.2
171.11647	1.7
173.11703	6.6
173.13243	6.0
184.07280	2.3
191.10689	2.0
193.12236	1.5
199.13354	4.3
209.11700	5.3
227.12650	3.9
229.14352	16.5
243.21095	1.9
261.22009	11.9
283.15277	3.7
301.16345	12.9
335.25705	52.2
336.26050	2.2
337.26315	1.3
469.32782	1.5
477.35522	5.2
489.35611	12.5
525.35846	1.3
543.36859	8.0
561.37592	14.0
579.38440	3.8
594.52448	1.5
776.41174	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.1
55.05503	46.9
57.03427	20.8
57.07064	3.1
59.04992	4.7
61.02910	4.4
61.32805	0.6
64.97479	0.5
65.03923	1.3
67.05491	100.0
69.03414	4.1
69.07052	19.9
71.01323	0.7
71.04973	4.1
73.02912	1.0
79.05473	48.4
81.03383	6.7
81.07037	61.6
83.04968	5.6
83.08606	16.4
85.02885	11.7
85.06531	3.3
87.04440	4.6
91.03921	1.2
91.05458	29.4
92.08720	0.7
92.09251	0.7
93.07022	44.0
95.04951	6.8
95.08584	41.2
95.09198	1.4
97.02885	3.4
97.06509	3.9
97.10148	20.4
103.03958	1.1
105.07005	17.0
107.04939	0.8
107.07861	1.1
107.08576	30.0
109.06522	3.7
109.10136	48.7
111.08094	1.5
117.07000	7.5
119.08559	16.3
121.06464	0.7
121.10114	16.8
123.08066	2.7
123.11692	4.2
125.09595	13.8
129.07021	2.7
131.08540	12.2
133.10107	7.9
135.08005	1.2
135.11691	8.8
137.09581	1.4
139.11122	1.1
143.08565	2.7
143.10713	1.2
145.10121	9.7
147.11661	5.3
149.09593	1.2
149.13248	4.9
155.10640	1.4
157.10110	0.7
159.11681	4.4
161.13242	2.9
163.11189	3.8
163.14799	1.0
171.11713	1.0
173.11726	8.2
173.13235	2.9
175.14815	1.0
181.12221	0.7
184.07262	0.8
185.13229	0.9
187.14818	1.1
193.12262	0.9
199.13249	6.5
209.11682	1.2
227.12778	4.1
229.14299	28.8
243.20937	1.2
245.13715	1.3
259.20584	0.7
261.22116	9.6
267.15860	3.6
271.20706	0.7
299.14883	0.9
301.16431	8.9
315.23315	0.8
317.24567	0.9
327.23499	1.1
335.25729	49.9
363.25317	1.3
477.35471	7.3
489.35663	14.5
543.36530	3.6
561.38037	5.4
561.45477	1.0
579.38916	1.4
646.98175	0.8
647.09821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.05507	1.7
57.03426	2.0
59.04953	0.9
61.02899	7.9
65.46653	1.1
65.89242	0.8
67.05495	11.6
67.47388	1.0
69.03421	4.2
69.07044	1.8
70.97659	0.9
73.02895	5.1
79.05470	6.3
79.68423	1.0
81.03394	2.2
81.07050	8.8
85.02892	7.7
86.09671	2.1
91.03944	4.1
91.05463	5.9
92.09168	7.2
92.99214	1.0
93.07018	5.2
95.08583	5.4
97.02899	6.8
101.02372	1.9
105.07012	2.2
107.08582	4.2
109.10155	1.9
115.24322	0.9
119.08552	2.1
121.10127	2.0
131.08571	1.2
133.10101	5.1
151.11150	1.8
243.08356	1.9
245.23338	1.1
263.25763	1.0
279.11905	2.2
335.25845	1.5
357.21497	1.1
384.53763	1.1
401.91638	1.3
454.00174	1.4
497.19824	5.8
519.28967	7.2
565.60529	1.0
585.45093	1.1
595.13409	1.1
709.36353	1.1
716.36090	1.4
775.42151	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	775.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04043	0.3
55.01863	1.3
55.05498	3.0
57.03430	2.8
61.02912	9.4
65.19734	0.3
67.05493	7.7
69.03410	5.3
69.07053	1.6
71.01339	0.6
71.04982	0.7
71.35708	0.3
73.02896	6.1
79.05470	5.4
81.03410	3.1
81.07031	7.3
81.07471	0.4
83.04940	0.6
83.08593	1.3
85.02886	9.9
86.09695	0.8
87.04453	0.7
88.22260	0.3
91.03941	4.2
91.05468	6.2
92.09003	3.5
93.07021	5.2
95.04967	0.8
95.08584	5.3
97.02872	7.5
97.10181	0.6
99.04447	1.5
101.02351	3.2
103.03972	0.4
105.07026	4.5
107.04968	0.7
107.08567	4.1
109.02847	2.9
109.06543	0.5
109.10149	2.0
111.08078	0.5
113.02309	2.7
115.03970	0.5
117.07070	0.5
119.08591	2.1
121.06477	0.7
121.10149	1.8
123.11665	0.5
127.03903	2.2
129.05482	0.6
131.08566	0.7
133.06493	0.5
133.10091	8.5
133.11014	0.4
134.92924	0.3
135.11722	1.4
143.08549	0.7
145.10115	0.5
147.11671	0.8
151.11168	2.7
161.09579	5.2
179.10654	3.7
185.04192	0.7
189.09119	1.4
203.05273	0.7
207.10197	1.9
211.13303	0.5
234.88902	0.5
243.08350	4.4
279.12088	0.7
313.16409	0.6
335.14432	0.5
335.25919	0.8
374.86279	0.4
497.13004	0.4
497.19754	10.5
519.29077	5.5
715.41803	0.5
716.41760	0.4
775.42139	100.0
776.42395	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12216	0.2
54.81607	0.2
55.01863	0.9
55.05502	2.4
56.68641	0.1
57.03428	3.0
57.32777	0.1
61.02913	8.4
65.03931	0.1
67.05489	7.1
69.03417	4.7
69.07050	1.5
70.90858	0.2
71.01349	0.4
71.04980	0.7
73.02488	0.2
73.02895	5.7
75.04485	0.2
79.05468	5.2
79.05899	0.3
81.03397	2.8
81.07034	6.1
83.01310	0.2
83.04963	0.2
83.08622	0.9
85.02886	8.1
86.09670	0.2
87.04467	0.3
91.03934	3.9
91.05453	3.9
91.11616	0.2
92.08658	0.2
92.09159	0.4
92.64005	0.2
93.07018	5.3
95.04962	1.1
95.08588	4.1
97.02865	7.4
97.06492	0.3
97.10223	0.2
99.04433	1.1
101.02359	2.5
103.03944	0.2
105.04533	0.2
105.07004	2.4
107.05005	0.2
107.08579	3.0
109.02882	1.7
109.06502	0.3
109.10136	1.9
113.02343	1.5
115.03909	0.4
117.07020	0.8
119.08582	1.5
121.10098	2.0
123.11713	0.2
127.03904	1.7
131.08549	0.9
133.10098	3.9
135.11700	1.3
143.08551	0.3
145.04932	0.2
145.10098	0.3
147.11717	0.7
149.13264	0.4
151.11171	0.8
159.11697	0.3
161.09616	1.3
173.13242	0.3
175.14746	0.2
179.10660	1.8
185.04237	0.4
203.05206	0.4
207.10249	0.4
243.08357	2.8
279.11887	1.7
290.39258	0.2
335.14935	0.2
335.25830	1.0
427.39987	0.2
497.19763	4.3
510.43921	0.2
519.29144	8.6
534.38373	0.2
607.40839	0.2
755.17041	0.2
775.42175	100.0
776.42584	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	775.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05504	4.4
57.03422	2.1
61.02911	6.5
63.76614	0.5
67.05491	6.4
68.23003	0.6
69.03419	4.8
69.07049	3.5
71.01347	0.5
71.04986	0.9
73.02905	2.9
79.05489	6.0
81.03403	4.5
81.07044	5.2
82.35263	0.5
83.04974	1.1
83.08611	1.2
85.02894	5.5
86.09698	0.6
91.03945	2.5
91.05460	5.5
92.08906	2.5
93.07030	6.1
95.04951	3.1
95.08598	2.8
97.02879	5.8
97.06548	0.6
97.10154	0.9
97.17196	0.5
98.99609	0.5
99.04463	0.5
101.02361	2.9
105.06988	4.0
107.04933	1.1
107.08575	3.9
108.79355	0.5
109.06486	1.3
109.10168	2.2
111.64129	0.5
117.07018	1.2
119.08578	3.6
121.10108	0.8
123.08042	0.7
125.09666	1.0
127.03928	0.7
129.06972	1.1
131.08574	1.0
133.10170	0.7
135.11673	1.1
145.10120	2.2
147.08015	0.9
147.11792	0.6
163.11180	3.3
184.07407	1.2
184.44173	0.5
209.11757	0.6
223.13304	0.6
243.08351	4.1
283.15485	0.8
291.19528	1.3
331.18753	1.3
467.18765	9.0
508.07257	0.6
549.26874	4.5
775.38611	100.0
776.39270	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	775.28
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32488	0.2
55.01855	0.6
59.77478	0.2
61.02894	0.2
65.03921	3.3
67.05467	1.4
68.56690	0.3
69.03417	3.0
70.06572	0.2
73.02895	0.6
78.04706	2.9
79.05447	1.6
81.03382	1.4
81.07023	0.6
82.04167	1.0
83.04922	0.4
85.02893	4.7
91.05460	6.0
92.08879	1.7
93.03378	0.5
93.07015	0.3
95.04951	1.9
95.08550	0.4
96.05703	0.3
97.02869	2.1
97.06481	1.1
101.02384	0.3
103.05418	1.7
105.03362	1.9
105.04496	0.3
105.06958	0.3
106.04124	1.4
107.04920	2.6
109.02838	1.2
110.03614	1.2
111.04378	1.3
115.05437	5.5
117.07000	9.5
119.04913	3.3
119.08533	0.4
121.06476	0.4
122.03610	1.2
123.04399	8.2
124.05181	3.8
125.05959	1.4
127.03855	0.4
127.05414	1.5
129.07007	0.3
131.04915	1.3
132.05722	0.5
133.02797	0.7
134.03563	0.3
135.04390	1.1
137.05002	0.4
137.05962	7.4
138.03073	0.6
142.02567	1.2
143.04863	1.1
144.05653	1.1
145.05318	0.5
145.06467	15.4
147.04391	7.4
147.08032	1.1
149.05925	0.3
151.03856	2.3
151.07526	0.7
152.04652	2.8
153.05473	1.2
155.04869	0.4
155.06012	4.8
160.05135	0.5
161.05901	0.8
165.05447	1.5
167.07001	100.0
168.07275	0.7
171.06506	3.4
172.05139	0.3
173.05949	22.4
175.07542	1.5
176.04684	0.4
177.05370	0.4
179.06956	1.3
181.04919	51.8
188.04742	0.3
189.08942	0.5
190.06256	0.4
191.07060	1.2
201.05464	0.5
203.06972	2.9
205.06702	0.6
205.08525	4.8
207.10071	0.4
213.05258	0.3
219.06448	1.3
222.06781	0.4
231.06415	0.6
233.08020	4.9
235.07491	0.5
235.09592	4.0
237.09105	0.3
239.06982	0.4
250.56071	0.3
257.36456	0.3
265.08582	0.5
280.07364	0.3
283.09738	0.5
293.08084	1.1
294.04575	0.3
294.08615	0.3
295.09534	0.3
297.11069	2.0
299.09293	0.4
306.76105	0.3
310.08334	1.2
314.11545	0.3
323.09332	0.3
325.10831	1.6
326.11481	0.6
327.12366	0.4
337.10767	0.3
353.10361	0.3
357.13226	5.2
385.12729	15.3
386.13437	0.4
387.14224	2.6
397.12744	0.5
403.13782	1.1
415.13983	0.7
417.15369	12.1
515.17053	0.3
542.23633	0.3
597.84418	0.3
613.22528	7.0
613.31592	0.3
775.27881	20.9
779.82605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.6
57.03410	0.9
61.02885	1.0
65.03661	0.2
65.03921	3.5
66.04668	0.2
67.05485	2.0
69.03416	4.2
73.02875	1.1
77.03888	0.4
78.04700	3.0
79.05480	2.4
81.03403	2.5
81.07013	0.5
82.04165	1.2
85.02886	6.6
86.05179	0.2
86.09700	0.3
87.04436	0.3
91.05454	6.4
92.09232	0.3
93.03356	1.4
93.06998	0.3
94.04150	0.3
95.04918	2.4
97.02847	2.3
97.06481	1.4
98.51183	0.3
99.00779	0.4
99.04377	0.5
101.02387	0.4
103.05442	1.8
105.03388	2.5
105.04447	0.4
105.07032	0.8
106.04132	1.7
107.04929	3.8
107.08609	0.4
108.02053	0.4
109.02844	1.4
109.06491	0.3
110.03658	1.8
111.04389	1.8
113.97645	0.3
115.05431	8.0
117.06995	11.1
119.04907	7.2
119.08529	1.0
121.02827	0.3
122.03590	0.6
123.03525	0.3
123.04398	8.8
124.05186	3.3
124.68578	0.2
125.05974	1.8
127.03873	1.1
127.05358	0.9
129.06926	0.3
130.04132	0.5
131.04887	1.9
132.05681	0.3
133.02798	1.2
133.06436	0.6
134.03615	0.5
135.04388	0.6
136.05206	0.3
137.02309	1.1
137.05956	8.1
138.03098	0.9
142.02583	1.2
143.04886	1.1
144.05661	0.6
145.06462	18.1
147.04381	6.4
147.08009	1.6
149.05957	0.6
151.03899	3.4
151.07469	1.4
152.04675	2.7
153.01807	0.6
153.05525	1.7
155.04892	0.4
155.06007	5.2
160.05122	1.1
161.05956	1.5
162.06738	0.3
163.03853	0.4
165.01686	0.3
165.05443	1.2
166.04927	0.4
167.06999	100.0
168.07344	0.3
171.06465	4.0
172.05179	0.3
173.05945	22.3
174.06639	0.4
175.07498	2.1
176.04639	0.4
177.05417	0.5
179.06982	1.7
181.04916	59.5
182.06934	0.3
187.03917	0.3
188.04671	0.5
189.05310	0.6
190.06186	0.4
191.06984	1.3
191.33813	0.3
195.06512	0.4
200.04675	0.4
201.05234	1.7
203.06998	3.7
205.06657	0.6
205.08533	6.2
207.06349	0.3
207.08177	0.3
207.10081	0.4
213.05411	0.3
213.09140	1.1
217.08566	0.3
219.06467	1.0
221.06047	0.3
222.06566	0.4
223.07552	0.3
229.04782	0.5
231.06465	1.1
233.05827	0.5
233.08000	4.7
234.06665	0.4
234.08722	0.3
235.07512	0.7
235.09563	4.4
237.09071	0.9
243.04851	0.4
250.06198	0.3
251.06882	0.4
263.06885	0.3
265.08591	1.1
267.06396	0.4
279.06461	0.4
281.08051	0.5
282.08804	1.2
283.09653	0.9
287.05411	0.4
293.07974	1.2
297.11115	1.4
299.08984	0.4
303.04904	10.0
309.07584	0.4
310.08344	1.5
325.10602	2.0
326.11481	1.2
327.08609	0.5
329.13895	0.5
342.10867	0.5
353.10303	0.9
355.11566	0.6
357.13217	6.8
367.11676	0.4
385.12729	16.0
386.13489	0.5
387.14362	2.2
397.12686	1.2
403.13843	1.5
415.13779	2.4
416.14410	0.4
417.15262	4.6
565.20667	0.4
577.19189	0.4
612.17468	0.3
613.22827	8.1
669.79834	0.3
775.27875	23.1
776.27686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08160	9.2
68.78055	0.5
71.07363	5.6
71.47969	0.5
82.63022	0.6
86.09690	49.1
87.98480	0.6
98.98461	4.3
104.10747	4.4
106.32285	0.7
124.99978	34.8
134.23398	0.8
136.56612	0.7
137.47575	0.6
184.07304	100.0
185.07689	0.7
459.79730	0.7
756.55145	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	775.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80955	0.4
55.01839	1.9
57.03407	1.3
61.02899	0.4
65.03921	3.5
67.05473	1.6
69.03405	4.2
70.06547	0.3
73.02882	1.8
78.04671	1.9
79.05476	2.9
81.03384	2.2
81.07024	1.3
82.04162	1.4
85.02887	5.9
87.04409	0.4
89.80681	0.4
91.05468	7.5
92.09116	1.4
93.03370	0.6
93.07025	0.4
95.04944	3.0
95.08582	0.6
97.02858	3.2
97.06484	0.6
103.05421	2.4
105.03382	4.0
105.07024	0.6
106.04219	0.7
107.04941	3.5
107.87021	0.3
108.02111	0.4
109.02847	1.8
109.06488	0.5
110.03636	2.1
111.04424	0.8
115.05431	5.8
117.07001	9.4
119.04925	8.2
119.08543	0.7
121.06483	0.5
121.10121	0.6
122.03627	0.4
123.04398	7.2
124.05206	2.5
125.05943	0.8
127.03851	1.8
127.05373	1.3
131.04875	1.8
132.05663	0.5
133.06483	0.6
134.03589	0.7
135.04385	0.5
137.02312	0.5
137.05957	7.1
138.03119	0.7
142.02560	0.7
143.04843	0.6
144.05602	0.4
145.02762	0.5
145.06471	15.5
147.04402	7.9
147.07991	0.7
148.04811	0.4
149.05934	0.5
151.03864	2.1
151.07512	0.8
152.04660	2.4
153.01836	0.7
153.05452	1.9
155.06013	4.2
160.05190	0.4
161.05937	0.8
163.03838	0.4
163.07559	0.5
165.05453	2.1
166.04918	0.4
167.07007	100.0
171.06511	4.1
172.05164	0.4
173.05951	21.4
175.07494	1.4
177.05455	0.6
179.06984	1.5
181.04927	55.4
188.04666	0.5
189.05499	0.4
191.06999	0.9
194.07343	0.4
201.05455	1.6
203.07018	2.9
205.08565	6.6
207.10248	0.4
213.08960	2.7
216.04402	0.4
219.06500	0.8
221.07988	0.6
229.04927	0.6
231.06465	1.4
233.08018	4.9
235.09641	4.7
237.08943	0.5
250.06104	0.6
257.04483	0.7
264.07593	0.4
265.08682	1.4
267.06241	0.4
293.08151	1.7
297.11255	1.5
303.04932	12.1
306.38553	0.4
310.08307	0.6
311.09229	0.5
325.10678	2.0
326.11450	0.4
329.13666	0.4
342.10892	0.5
347.09579	0.4
354.10892	0.5
357.13229	6.4
385.12775	17.3
386.13470	0.6
387.14218	2.0
397.12778	1.5
403.14075	0.9
415.13760	2.5
416.14557	0.5
417.15268	4.4
577.19421	0.6
595.20538	0.4
613.22949	9.5
775.27869	23.3
776.27954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.5
55.05500	24.0
55.96249	0.8
57.03172	1.5
57.03427	25.9
57.07063	1.3
61.02905	1.1
65.03905	1.7
67.05490	71.3
69.03399	4.4
69.07050	13.7
71.04984	4.4
78.09797	0.9
79.05476	52.8
80.83437	0.9
81.03397	100.0
81.07034	67.1
81.07418	0.9
81.07536	1.4
83.04975	7.7
83.08604	20.6
84.45152	0.9
85.06528	1.5
87.29866	0.8
91.05454	39.1
92.08990	8.3
93.07018	56.4
95.04945	40.9
95.08582	48.7
95.09200	1.4
97.02876	1.3
97.06488	6.1
97.10146	6.0
97.80489	0.9
99.08033	1.2
105.04488	1.6
105.07008	34.8
107.04932	8.8
107.08578	30.4
109.06480	5.7
109.10135	19.2
111.04436	1.5
111.08031	6.7
115.05445	1.5
117.06974	7.4
119.05006	1.0
119.08554	25.7
121.06455	4.1
121.10119	24.1
121.31795	1.0
123.04411	1.8
123.08054	2.2
123.11665	5.1
125.09570	2.1
129.06967	13.6
131.08543	19.8
133.06448	4.7
133.10088	15.0
135.08005	1.4
135.11682	13.9
137.09596	1.6
137.13287	1.5
142.07722	1.7
143.08510	3.3
145.10089	13.0
147.04372	1.1
147.08035	4.7
147.11664	13.6
149.09573	6.3
149.12198	1.2
149.13219	8.4
156.14995	1.1
157.10106	10.9
159.11633	6.9
161.09508	1.2
161.13226	3.9
163.11090	1.5
163.14745	3.7
165.12711	1.9
171.11618	1.4
173.13225	6.7
175.09865	1.1
175.11125	9.0
175.14787	1.3
177.69531	1.1
183.11630	1.0
187.14839	3.8
189.11188	1.2
193.12219	21.8
201.16364	1.1
205.63895	0.9
211.13205	1.7
227.12732	2.1
243.20967	5.7
249.14769	1.2
261.22000	14.7
267.15842	71.0
273.14551	0.9
301.25153	5.3
309.16772	1.2
317.24725	1.4
335.25726	67.1
335.29816	2.2
336.26205	1.0
421.25427	1.7
435.26837	1.6
435.32343	2.2
453.33466	6.9
461.28568	1.3
471.34402	2.2
500.33102	1.0
527.37207	53.8
543.42188	1.1
545.30359	1.7
545.38245	48.8
569.37988	3.9
635.38446	1.2
653.38513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.5
55.05502	42.5
57.03431	25.2
57.07060	2.5
61.02903	4.4
67.05149	3.5
67.05493	99.1
69.03391	3.1
69.07048	20.9
71.01342	21.1
71.04975	3.4
73.02894	3.7
79.05476	75.2
81.03387	7.7
81.07042	83.7
83.04958	9.2
83.08593	17.7
85.02876	4.8
86.09655	8.4
91.05466	39.4
92.08801	4.7
92.09298	2.9
93.06479	3.7
93.07021	64.2
94.07328	2.0
95.04936	13.1
95.08584	54.9
97.06521	4.5
97.10139	12.1
98.48438	1.9
104.10735	11.5
105.07015	35.7
107.04951	2.8
107.08587	41.8
109.06525	3.6
109.10154	35.9
111.08124	4.3
116.67936	2.8
117.06966	13.0
119.08592	20.1
121.06507	2.8
121.10168	21.0
123.08014	2.7
123.11697	4.9
124.27119	2.1
124.99975	1.9
125.09609	3.0
131.08525	17.7
133.10077	13.5
134.66187	2.1
135.07999	5.0
135.11668	16.5
137.09534	2.5
145.10135	4.2
147.11679	4.0
149.13261	4.8
151.11197	2.2
158.95840	2.3
159.11659	5.4
161.13174	3.7
173.13179	4.8
184.07263	10.7
191.17938	2.0
201.16406	2.4
224.01431	2.0
225.11177	9.3
233.19232	2.3
243.21059	5.1
261.21976	25.7
299.14804	100.0
326.58911	2.5
335.25751	93.5
414.65677	2.5
449.30505	2.7
531.11743	2.5
541.35437	4.0
559.36066	53.5
577.36780	4.0
595.82343	2.8
661.34656	2.6
706.46515	2.5
765.12677	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	774.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.1
55.05504	39.9
56.00490	1.1
56.69324	1.1
56.99274	1.2
57.03426	28.9
57.07057	1.5
58.66001	1.0
59.57243	1.2
60.55334	1.2
61.02906	6.6
65.03928	3.1
67.05487	85.2
69.03423	8.8
69.06676	1.4
69.07052	39.7
71.01334	1.2
71.04983	13.4
73.02900	2.6
79.05471	77.9
80.58651	1.3
81.03394	80.6
81.07034	100.0
83.04954	28.3
83.08600	36.2
85.02885	36.0
85.06526	5.3
87.04440	1.3
91.04880	2.5
91.05457	77.0
93.07017	74.6
95.04945	44.4
95.08579	38.1
97.02884	9.6
97.06490	15.2
97.10148	8.4
99.08065	2.2
105.07006	58.4
107.04930	17.0
107.08572	37.6
108.66573	1.2
109.06497	10.2
109.10149	10.4
111.04440	2.6
111.08071	13.7
113.05993	2.9
115.05442	3.1
117.06984	17.7
119.08560	43.8
121.06490	5.4
121.10101	27.1
123.08035	5.9
123.11706	5.9
125.09618	2.8
129.06970	18.6
129.53931	1.5
130.77937	1.3
131.08533	31.1
133.06453	5.3
133.10097	30.2
135.08026	6.0
135.11646	13.3
137.09621	5.4
141.06967	1.5
142.07773	2.8
143.08545	5.7
145.10112	16.6
147.02257	1.2
147.08029	3.1
147.11650	25.9
149.09608	16.2
149.13190	13.4
151.11172	1.6
157.10046	20.7
159.11729	12.6
161.13226	1.8
163.11121	8.3
165.12723	5.5
169.10072	2.8
173.13216	2.3
175.11133	21.8
177.12811	1.3
193.12199	41.4
195.13817	6.7
211.13251	45.2
224.17586	1.3
226.12344	1.4
239.17926	1.8
255.15900	8.6
257.18973	5.5
260.80450	1.4
267.15906	20.9
269.17419	30.4
275.19989	16.4
285.16864	52.3
349.23685	16.0
367.24240	2.0
443.27786	1.7
447.27200	8.3
461.28824	30.8
465.28458	14.3
479.29938	82.8
541.34998	10.3
559.36377	22.4
577.36737	5.5
623.34760	1.8
643.64392	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	15.4
55.05507	58.8
57.03432	36.8
57.07080	1.8
58.06814	1.9
58.13277	1.6
60.39457	1.5
61.02910	9.0
65.03915	3.4
67.05141	3.3
67.05496	92.5
69.03430	15.5
69.06721	2.3
69.07062	48.8
71.04971	9.9
73.02920	3.5
79.05478	88.7
81.03406	99.8
81.07040	100.0
83.04969	39.0
83.08611	43.5
85.02895	47.9
85.06538	4.1
91.04887	3.3
91.05464	98.8
91.99516	1.7
92.09075	2.7
92.57742	1.9
93.07027	80.9
95.04950	49.5
95.08585	44.8
97.02859	7.3
97.06522	20.4
97.10150	27.3
99.08054	2.8
105.04514	1.6
105.07017	77.2
107.04951	20.2
107.08578	52.7
108.46694	1.7
109.02868	2.8
109.06512	21.4
109.10127	14.7
111.04430	3.1
111.08057	15.2
113.05987	2.4
113.40708	1.7
117.07004	21.7
119.08565	54.6
121.06480	11.2
121.10123	26.8
123.08052	4.3
123.11694	4.3
125.09612	22.2
127.03920	3.0
128.06194	2.4
129.06982	25.7
131.08540	41.8
133.06517	2.6
133.10118	42.8
135.08028	3.2
135.11681	12.5
137.09586	4.5
141.06967	2.5
142.07750	4.6
143.08546	4.1
145.10123	22.7
147.08107	3.7
147.11678	34.2
149.09592	26.5
149.13268	3.2
155.08556	2.4
157.10100	22.9
159.11653	14.1
161.09586	3.7
161.13226	3.6
163.00354	2.0
163.11179	9.3
165.12804	3.5
169.10091	3.1
171.11723	6.8
173.13200	2.2
175.11147	26.1
183.11687	2.5
187.11050	2.0
187.53166	1.9
189.11206	3.7
193.12218	50.3
199.14905	2.0
211.13249	55.6
227.12761	18.5
239.17838	2.0
255.15656	3.4
257.18964	9.3
267.15802	26.5
269.17368	13.5
275.19980	26.9
285.16953	56.5
300.54398	2.3
349.23645	31.7
439.26736	2.6
461.28754	15.2
465.28360	9.8
479.30014	44.1
541.35187	21.9
559.36255	60.2
577.37219	7.6
623.34003	2.2
772.12067	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	774.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81900	1.4
55.01619	1.5
55.01863	9.9
55.05504	43.7
57.03425	34.0
57.07072	2.8
59.45290	1.3
61.02912	5.9
65.03917	5.8
67.05492	92.9
69.03417	12.8
69.07056	35.6
70.06565	1.4
71.04976	11.6
73.02898	2.6
77.03896	1.9
78.72276	1.5
79.05476	80.8
81.02927	3.2
81.03401	80.0
81.03875	3.5
81.07037	100.0
83.04973	30.7
83.08598	37.8
84.05263	1.6
85.02421	2.6
85.02891	39.4
85.06526	3.6
91.05460	99.4
93.07021	69.9
95.04946	43.1
95.08585	46.4
97.02866	8.4
97.06512	15.3
97.10140	10.5
99.08107	1.6
103.05460	1.8
105.04435	1.7
105.07019	68.7
105.07744	2.3
107.04952	19.1
107.08578	47.9
109.02836	1.7
109.06517	11.9
109.10133	12.9
111.04395	2.0
111.08088	13.9
113.06017	2.0
115.05447	2.5
117.06990	21.2
119.08558	54.7
121.06483	5.6
121.10104	29.8
123.08071	6.3
123.11680	7.5
125.05939	1.5
125.09598	8.5
127.03845	1.9
127.10603	1.6
128.06143	2.0
129.06975	25.2
130.07756	2.5
131.08543	40.3
133.06450	2.3
133.10106	46.9
135.07993	3.6
135.11694	14.5
136.72679	1.7
137.09608	3.7
141.06966	3.4
142.07758	7.1
143.08513	8.9
145.10083	24.1
147.08058	3.0
147.11668	33.0
149.09592	18.9
149.13235	5.8
151.11092	1.9
155.08549	6.5
157.10114	21.7
158.02216	1.4
159.08055	2.7
159.11662	18.1
161.13217	2.4
163.11156	7.6
165.12718	2.8
167.08575	1.8
169.10110	3.2
171.11528	5.4
173.13220	3.3
175.11165	17.8
181.12286	1.4
183.11626	2.2
184.07324	5.7
185.13234	2.9
189.11206	1.9
190.89432	1.5
193.12195	41.8
195.11737	1.7
195.13663	1.9
197.13232	2.4
199.14835	1.7
210.80081	1.8
211.13255	37.4
227.12740	2.9
229.14270	1.9
229.19484	1.6
239.17950	2.5
255.15770	9.5
257.18903	11.9
258.19592	1.6
267.15897	24.5
269.17365	21.2
275.19955	29.9
285.16910	46.9
291.19479	1.8
293.21127	3.0
331.22641	1.7
349.23737	27.0
367.24747	3.3
374.38055	1.7
447.27408	6.0
456.65494	1.7
461.29016	18.5
465.28510	18.7
479.29922	41.6
541.35077	19.4
559.36200	34.5
577.36987	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	774.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.4
55.05508	47.2
57.03208	1.9
57.03431	27.9
57.07063	3.5
61.02904	4.8
65.03931	2.7
66.69749	1.9
67.05493	100.0
69.03403	3.9
69.07047	18.6
71.01342	25.4
71.04984	3.2
71.08566	2.2
79.05475	80.7
81.03403	9.0
81.07036	81.1
83.04960	4.7
83.08611	16.6
85.02892	4.3
85.06531	4.5
86.09687	2.8
91.05463	43.0
92.08948	3.1
93.07024	76.9
95.04948	17.6
95.08582	59.2
97.02885	2.7
97.06519	4.4
97.10158	8.7
97.19673	1.9
99.04505	2.1
100.17521	1.8
101.02355	2.4
102.83437	1.8
105.07017	39.9
107.04919	3.2
107.08575	38.7
109.10146	41.7
111.08047	3.2
117.07014	17.1
119.08553	24.9
121.10122	31.2
123.04446	2.8
123.08151	2.4
123.11689	7.5
125.09642	4.4
128.06183	2.3
129.61250	1.9
130.27600	2.0
131.08556	13.4
133.10109	18.0
135.08026	3.7
135.11693	13.9
137.09598	2.4
143.08524	3.3
145.10083	13.5
147.04410	8.3
147.11656	11.3
149.13220	7.9
151.11264	2.1
157.10075	2.5
159.11691	9.8
161.09605	8.1
161.13358	3.8
163.14828	3.4
173.13260	4.2
175.14827	2.8
179.10608	2.3
184.07306	11.2
207.10272	2.2
225.11133	7.9
243.21135	2.5
261.22006	17.7
299.14841	85.4
315.22882	2.7
321.54742	2.1
335.25732	80.9
355.00043	2.1
527.27985	3.7
541.35034	8.0
559.36108	44.6
691.33099	2.4
774.32635	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	774.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	16.7
55.05505	71.2
57.03435	16.6
61.02903	5.0
64.33601	2.0
67.05494	74.0
67.60399	1.7
69.03417	13.7
69.07053	27.2
71.04983	4.2
76.56624	2.3
79.05473	85.9
81.03399	77.0
81.07035	61.0
83.04979	22.1
83.08602	45.6
85.02888	27.8
85.06541	3.5
90.33436	1.7
91.05463	71.8
92.09089	10.2
93.07026	56.5
95.04942	36.6
95.08595	29.1
97.02870	10.2
97.06512	12.2
97.10148	70.9
105.03371	1.9
105.07010	67.2
107.04967	21.1
107.08572	84.0
109.02894	2.4
109.06494	12.0
109.10129	17.5
111.08055	13.5
115.05431	2.9
117.06973	13.8
119.08566	51.6
121.06480	3.2
121.09279	2.0
121.10080	15.3
123.08070	3.2
123.11715	2.4
125.09605	49.1
129.07007	19.7
131.08568	24.1
133.06456	3.4
133.10094	34.6
135.08041	9.9
135.11676	4.1
137.09619	2.8
142.07767	2.4
145.10135	23.2
147.11661	29.3
149.09615	19.1
157.10100	25.8
159.11699	10.9
161.13278	2.9
163.11134	9.1
165.12807	2.4
169.10074	2.7
171.11742	3.9
173.13226	3.7
175.11159	16.8
179.14316	3.4
184.07309	3.3
189.01212	2.1
189.11176	27.2
193.12187	43.2
197.13235	2.9
211.13239	44.6
211.15036	2.9
227.12749	72.6
230.11935	1.9
239.17894	2.5
257.19070	4.6
267.15952	17.5
274.27405	9.5
275.20029	47.0
285.16864	41.9
349.23645	35.5
437.25275	3.8
455.26257	9.5
541.35193	43.0
559.36182	100.0
577.37152	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	774.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81559	0.3
55.01851	0.4
55.05490	0.5
56.05828	0.3
57.03410	0.8
58.29243	0.4
59.04969	0.5
64.56816	0.3
67.01847	0.7
67.05485	2.8
67.07458	0.3
68.05791	0.4
68.99773	0.8
69.03413	3.4
70.83741	0.3
71.04958	2.1
79.02020	0.4
79.05491	2.5
81.03399	31.2
81.07036	1.6
83.08585	0.7
85.02899	2.8
87.04433	0.5
89.03901	3.6
91.05460	1.7
92.08996	1.4
93.07034	0.6
95.04931	1.6
95.08585	0.6
97.02866	9.8
97.71297	0.4
99.04425	12.5
101.03000	0.3
105.03364	1.4
105.07000	1.5
107.04951	2.7
107.08596	0.6
108.04407	0.5
109.02860	67.7
109.10119	1.4
111.04416	0.4
116.97900	0.3
117.03345	6.9
119.04939	0.4
119.08541	0.4
120.88022	0.3
121.10109	0.5
127.03886	30.6
131.08586	0.4
135.03355	0.6
135.04388	18.5
139.03874	1.9
141.05458	0.4
145.02815	14.2
145.03926	0.6
145.26239	0.3
147.11586	0.3
149.09566	0.4
157.10039	0.4
163.03868	100.0
164.04233	0.4
169.04922	61.9
175.11214	0.4
184.07225	0.5
193.12183	0.4
211.05977	2.4
217.98740	0.4
229.07033	4.1
267.15790	0.4
268.68924	0.4
271.05917	2.2
289.06934	2.2
312.68414	0.4
331.08051	14.0
451.12170	4.7
508.29767	0.5
574.23993	0.4
612.25684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
55.05505	39.1
57.03428	18.7
57.07062	2.6
61.02899	8.5
61.69580	1.8
65.03922	3.9
67.05489	100.0
69.03398	3.7
69.07060	26.3
71.04948	2.8
73.02885	4.2
79.05470	84.0
81.03394	3.6
81.07037	79.0
83.04933	2.0
83.08596	12.6
83.09326	1.7
85.02874	8.6
85.06527	3.4
91.03934	2.6
91.05459	82.9
92.08739	6.9
92.09325	3.8
93.07021	99.8
95.04942	12.1
95.08588	63.9
97.02837	4.0
97.06494	3.6
97.10151	4.5
99.08076	2.3
105.07012	85.4
107.04924	2.2
107.08575	54.2
109.06494	4.3
109.10152	25.9
111.08048	1.9
114.62892	1.8
117.07003	31.0
119.08557	66.5
121.10123	33.9
123.08035	1.9
123.11726	3.7
128.06189	7.2
129.06982	22.5
131.08540	41.2
133.10101	42.1
135.11699	17.9
141.07063	2.5
142.07701	2.0
143.08528	14.9
145.10086	29.2
147.11656	32.5
149.13226	12.1
155.08482	4.1
157.10120	14.4
159.11653	23.0
161.13205	21.5
163.14819	2.4
169.10057	7.2
171.11655	17.4
173.13271	15.3
175.14774	9.1
181.10188	2.6
183.11697	3.9
185.13239	8.0
187.14841	3.9
189.12653	2.9
197.13269	3.2
199.05847	1.9
199.14772	3.7
201.16229	2.5
203.14113	2.7
211.14854	2.2
241.19397	12.9
257.18771	3.6
259.20505	35.0
261.22174	3.6
283.20160	2.1
315.23383	2.1
333.24191	25.7
335.25699	54.1
452.52536	2.2
471.27557	2.2
519.41840	3.5
593.45386	10.5
609.44916	2.3
611.46533	56.7
701.47217	3.6
719.47937	3.5
773.51617	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	773.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82133	4.4
55.05503	54.8
57.03420	11.8
64.25726	4.6
67.05487	100.0
69.03422	5.5
69.07040	35.9
73.02882	4.3
79.05475	81.3
81.07029	80.0
83.08590	11.8
89.70807	5.1
91.05451	71.1
92.09232	22.7
93.07034	86.9
95.04933	5.0
95.08593	59.7
96.44137	4.2
97.02807	4.4
97.06523	5.8
97.10081	6.1
105.07008	60.8
107.08579	47.6
109.10146	30.3
117.07029	18.9
119.08544	45.5
121.10098	36.0
129.07030	10.3
131.08545	42.4
133.10081	29.3
135.11624	11.8
143.08566	19.6
145.10089	30.1
147.11688	21.4
155.08630	6.5
159.11691	9.5
161.13243	9.1
171.11615	11.3
173.13170	10.6
173.97394	4.7
185.13271	7.5
194.40340	5.8
241.19421	11.5
259.20480	27.2
259.47900	4.8
306.22202	5.2
333.24289	7.1
335.25745	41.6
593.44867	5.5
601.44250	20.8
611.46289	40.4
704.77960	5.4
773.43378	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	773.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81867	3.1
55.05500	6.3
56.04201	2.2
57.03416	10.5
60.75863	2.3
61.02913	6.2
61.04113	2.6
67.05492	26.2
69.07051	6.7
71.04967	3.2
73.02882	6.2
79.05478	20.0
81.03391	6.9
81.07047	24.5
83.04966	3.9
83.08595	2.8
85.02874	6.4
86.09682	4.9
91.05460	16.2
93.07029	16.3
95.08585	18.3
97.02879	6.3
97.06508	3.5
104.97277	2.8
105.07005	13.0
107.08562	5.0
109.10126	2.6
115.05511	2.9
119.08547	6.8
121.10049	3.6
124.99899	4.0
133.10065	3.6
146.27280	3.2
147.11632	3.8
157.10139	2.9
184.07335	16.5
243.08286	4.8
335.26068	4.5
465.20782	11.0
472.84076	3.0
755.39484	15.5
773.40491	100.0
774.40155	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	773.2123
Annotation	Kaempferol 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
54.52295	0.1
55.01830	0.2
57.03429	0.7
61.02907	1.0
62.61084	0.1
68.99747	0.3
69.03413	2.7
70.52826	0.1
71.04940	0.4
73.02857	0.3
79.05426	0.1
81.03395	1.1
83.04974	0.1
85.02885	7.4
87.04402	0.2
91.03897	0.1
92.08959	0.1
97.02274	0.1
97.02863	2.2
99.04386	0.2
105.03326	0.1
107.04898	0.2
109.02864	0.9
111.00817	0.6
121.02831	2.2
127.03873	1.2
133.02856	0.5
135.04401	0.1
137.02287	0.6
145.04910	0.7
147.04350	0.4
153.01778	2.3
157.06447	0.3
165.01779	1.4
171.04251	0.1
177.05342	0.1
183.02884	0.8
185.05951	0.1
189.05450	0.1
197.05827	0.1
213.05473	1.0
231.06468	0.7
241.04921	0.8
258.05069	0.8
259.05945	0.4
269.04355	0.1
274.59903	0.1
287.05426	100.0
288.05756	1.4
329.06573	0.4
426.22690	0.1
449.10675	15.9
450.11017	0.4
503.91632	0.1
611.15942	6.3
612.15771	0.1
727.43768	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.1
55.95377	0.1
57.03418	0.5
61.02913	4.2
68.99789	0.2
69.03411	1.4
71.04973	0.2
71.40329	0.1
73.02892	1.0
76.57218	0.1
78.20341	0.1
81.03391	0.6
81.79271	0.1
85.02891	5.4
91.03935	1.2
92.08878	0.6
97.02871	2.5
99.04428	0.2
101.02349	0.2
105.03397	0.1
107.04948	0.2
109.02856	0.4
111.00775	0.5
115.03899	0.1
121.02837	2.2
127.03899	0.7
133.02844	0.4
135.04404	0.6
137.02321	0.3
144.13718	0.1
145.02834	0.5
145.04903	0.6
147.04393	0.4
153.01807	2.2
154.61324	0.1
161.01195	0.1
163.03865	2.8
164.04280	0.4
165.01822	1.3
171.04280	0.1
174.82520	0.1
177.05402	0.2
180.81828	0.1
183.02858	0.5
201.65414	0.1
213.05457	0.9
231.06468	0.7
241.05002	0.8
252.34534	0.1
253.25996	0.1
258.05069	0.8
259.06012	0.2
269.04477	0.1
287.05438	100.0
288.05661	1.3
299.05380	0.1
314.40176	0.1
327.80328	0.1
329.06467	0.5
383.12772	0.1
432.32727	0.1
449.10703	16.2
450.10870	0.5
611.15948	6.6
612.16119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63919	0.4
56.05019	0.5
56.87251	0.4
60.08159	7.1
63.40295	0.4
67.05461	0.5
71.07355	4.0
86.09693	48.8
98.81034	0.4
98.98452	3.1
104.10720	2.5
124.99983	33.3
127.53913	0.6
143.01073	0.6
170.11549	0.4
171.62608	0.4
176.04271	0.4
184.07309	100.0
196.06940	0.5
234.31702	0.5
369.38995	0.5
404.08151	0.5
511.11349	0.6
772.54425	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	772.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.5
58.06578	0.5
60.08156	8.3
64.75434	0.3
71.07354	4.7
78.42233	0.3
86.09694	50.5
86.67908	0.4
92.09007	4.0
98.98425	3.5
99.29612	0.4
104.10740	3.0
106.64550	0.4
124.99979	31.7
133.10162	0.3
184.07314	100.0
266.36853	0.4
267.70245	0.4
450.06277	0.5
471.89331	0.5
657.60339	0.3
754.53674	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	772.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	12.3
55.05502	39.1
57.03173	1.7
57.03429	24.7
57.07057	3.7
58.60410	1.4
59.04990	6.3
61.02909	9.5
63.54750	1.5
65.03931	2.0
67.05490	100.0
69.03411	3.1
69.07052	26.5
71.01334	7.8
71.04958	12.5
73.10300	1.4
73.18766	1.5
79.05473	95.3
81.03395	44.2
81.07036	98.6
83.01336	6.8
83.04957	25.4
83.08609	17.2
85.02893	19.2
85.06525	8.2
87.04468	1.7
91.03905	2.3
91.05457	63.6
91.06001	2.7
91.16570	1.3
92.08770	6.0
92.09350	3.2
92.64224	1.6
93.07020	94.3
94.07407	1.7
95.04945	21.9
95.08579	61.2
97.02850	19.3
97.06493	17.1
97.10138	3.1
99.04429	2.0
99.08061	2.3
105.07018	39.0
105.07664	2.8
107.04934	26.3
107.08575	57.4
109.06505	26.0
109.10135	25.4
111.04419	52.2
111.08044	6.7
111.99409	1.7
113.06008	3.2
117.06987	25.1
119.08555	34.1
121.06493	18.9
121.10106	39.5
123.08023	15.2
123.11716	2.5
125.05952	12.5
125.09587	6.3
129.07005	10.0
130.07780	2.1
131.04965	1.8
131.08556	24.2
133.06480	1.7
133.10124	10.0
135.08046	6.1
135.11664	39.2
137.09593	3.0
138.28073	1.8
141.63847	1.4
143.08553	3.6
145.06488	2.6
145.10104	46.3
145.11230	2.7
147.08041	7.8
147.11682	8.3
149.13229	3.2
153.12691	15.3
155.08527	7.0
157.10106	1.9
159.11688	5.9
161.09615	2.2
161.13240	2.5
163.11139	52.5
171.11678	1.7
173.09546	13.6
173.13205	3.3
175.14883	1.6
177.12651	2.8
181.12210	10.2
181.20695	1.6
184.07288	2.2
191.10631	7.0
195.13742	2.3
209.11707	12.2
215.12233	1.6
223.13251	32.4
227.12776	9.7
241.14296	41.7
243.21016	1.8
244.21321	1.5
261.22147	7.6
265.14093	2.1
283.15353	21.7
309.34000	1.9
315.17944	58.6
335.25732	78.0
344.50967	1.7
401.10385	1.6
463.40082	1.9
469.32593	2.7
499.34894	1.8
525.35394	11.2
543.36707	75.3
561.36835	1.8
575.39313	64.3
576.40112	2.1
584.91833	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	12.2
55.05505	35.0
55.37084	1.0
57.03427	21.9
57.07061	2.3
59.04985	2.7
61.02907	6.9
65.03920	1.5
67.05491	95.1
69.03403	2.6
69.07056	29.6
71.01333	5.6
71.04969	12.5
77.35882	1.2
79.05473	83.4
81.03396	34.2
81.07035	100.0
83.01347	4.9
83.04967	20.3
83.08615	16.7
85.02895	13.0
85.06523	5.8
91.05456	45.7
92.08992	11.4
92.51280	1.4
93.07021	90.8
95.04943	15.9
95.08585	71.7
97.02866	18.1
97.06497	12.5
97.10128	5.7
99.04434	5.8
102.45547	1.4
105.07016	30.4
107.04949	25.0
107.08569	46.9
109.02870	1.4
109.06489	17.6
109.10129	21.7
111.04428	39.2
111.08068	2.8
113.05927	1.4
117.06981	20.5
119.08549	31.6
121.06494	10.0
121.10121	35.2
123.08047	9.0
123.11676	6.2
125.05965	11.5
125.09613	5.0
129.06976	7.8
130.07773	2.2
131.08536	19.6
133.10117	13.0
135.08028	5.3
135.11681	33.6
137.09613	5.5
143.08594	2.0
145.10103	37.6
147.08031	8.4
147.11682	6.9
149.09608	2.1
149.13254	6.9
153.12704	10.1
155.08548	3.0
157.10089	2.3
159.11723	2.7
161.09596	1.5
161.13211	2.9
163.11133	43.1
173.09607	8.5
173.13242	2.4
175.14781	1.5
181.12170	5.2
184.07298	1.6
187.14763	1.8
190.16743	1.4
191.10643	9.0
209.11649	12.0
223.13225	21.7
227.12747	6.1
228.92203	1.2
241.14284	22.8
243.20938	2.5
249.37935	1.3
261.21979	9.6
265.14261	2.6
283.15381	16.2
299.23557	1.6
315.17944	42.4
335.25729	86.9
336.26358	1.5
376.90408	1.4
451.32162	1.8
475.25143	1.4
525.35522	13.0
543.36688	74.2
544.36951	3.2
546.60706	1.3
548.07544	1.3
575.39288	96.2
576.38928	1.8
646.79712	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61598	1.5
55.01873	21.1
55.05301	1.7
55.05510	24.4
57.03430	17.8
61.02909	2.8
62.92982	1.6
64.32652	1.7
67.05495	80.2
69.07055	16.3
71.04994	3.0
73.74188	1.9
79.05479	52.0
79.05946	2.3
81.03410	1.7
81.07041	66.5
83.04971	47.9
83.08617	14.7
85.02888	7.9
85.06522	3.2
87.04458	4.0
91.05456	24.8
92.09000	17.0
93.07026	73.8
95.04948	12.0
95.08586	50.1
97.06515	10.1
97.35859	2.2
99.04436	3.2
99.08054	3.5
105.04439	1.7
105.07047	14.9
107.04955	4.4
107.08585	38.0
108.83755	1.9
109.06504	3.1
109.10146	29.1
111.04435	100.0
111.08064	36.9
114.24942	2.0
115.03914	15.0
117.06978	8.3
119.08561	19.8
121.06498	3.0
121.10122	48.6
124.29892	1.7
125.05970	3.4
129.05481	2.0
129.06966	3.7
131.08546	21.0
133.10112	9.1
135.11671	50.3
137.09639	2.2
145.10101	33.2
147.11702	9.5
149.09579	9.1
149.13220	2.4
153.12735	40.5
155.08595	2.7
159.11726	2.9
163.11156	59.8
173.09584	12.6
173.13231	3.8
181.12201	70.3
191.10638	49.6
209.11732	21.2
227.12766	42.3
231.42239	2.0
232.76869	2.1
241.14291	7.3
243.20988	2.6
246.34108	1.9
261.22079	12.2
283.15298	24.2
315.17993	98.7
315.21609	3.9
317.24527	2.2
333.88211	2.0
335.25735	96.3
336.26282	2.2
444.42657	2.0
488.20245	2.1
543.36304	8.5
561.38043	17.3
571.69232	2.2
575.39374	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	772.483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	14.3
55.05230	0.7
55.05500	20.8
57.03425	16.4
57.07057	2.2
59.04993	0.6
60.08113	0.4
61.02906	2.3
65.03915	2.3
67.05489	75.4
68.21962	0.4
69.03402	2.3
69.07051	19.5
71.04967	5.1
71.50118	0.4
73.02891	0.7
79.05470	51.1
81.03389	2.2
81.07033	64.8
83.04958	33.4
83.08595	10.7
85.02883	6.1
85.06532	4.2
86.09685	0.5
87.04443	3.4
91.03909	0.7
91.05456	26.2
92.09003	4.0
93.07018	67.3
95.04935	7.7
95.08579	48.2
97.02870	2.6
97.06496	9.8
97.10144	1.0
99.04424	5.6
99.08057	2.4
101.02381	1.0
103.05453	0.6
105.04474	0.8
105.07008	16.4
107.04924	3.7
107.08575	33.1
109.06508	2.2
109.09380	0.7
109.10136	26.6
111.04420	76.9
111.07302	0.7
111.08056	22.1
113.05925	0.8
115.03902	9.7
117.07005	9.1
119.08554	19.9
121.06538	3.3
121.10110	38.5
123.08044	0.8
123.11688	4.6
125.05973	4.2
125.09663	0.7
127.03854	0.5
129.05446	2.4
129.06981	3.1
131.08548	15.8
133.10097	8.9
135.08015	1.7
135.11662	32.9
137.09622	1.1
137.13278	0.8
139.07486	1.7
143.64806	0.5
145.06461	0.6
145.10092	27.1
147.08034	1.8
147.11670	7.6
149.09570	7.2
149.13246	5.1
151.11168	0.6
153.12714	30.9
155.08517	2.6
159.11696	4.6
161.13216	2.6
163.11142	48.5
163.14827	2.4
165.12740	0.6
173.09563	9.5
173.13222	3.1
175.14713	0.6
177.16356	0.7
181.12192	47.1
182.77789	0.4
187.14784	1.9
189.16191	0.4
191.10625	34.0
193.24898	0.5
197.13092	0.5
199.13249	0.6
199.19658	0.6
209.11682	14.8
213.14845	0.5
227.12729	29.7
241.14322	4.1
243.20973	2.9
261.22070	11.4
283.15356	17.2
315.17947	56.7
316.18442	0.6
317.24612	2.3
335.25714	100.0
336.26025	2.9
363.18237	0.5
515.49585	0.5
543.36438	5.9
561.37744	17.4
567.88348	0.5
575.39276	68.4
576.39606	2.2
677.13959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	18.0
55.05504	44.1
57.03424	28.7
57.07063	2.5
59.04980	2.0
61.02909	7.9
65.03925	1.4
67.05491	71.2
67.05848	2.9
69.03415	10.1
69.07052	26.0
71.01340	2.0
71.04977	9.5
73.02877	2.2
76.56236	1.2
79.05472	71.5
81.03402	34.4
81.07036	94.2
83.01316	10.5
83.04967	25.3
83.08601	28.2
85.02895	13.7
85.06525	2.9
91.05460	56.2
91.06006	2.7
92.08803	1.3
93.07019	81.3
95.04945	25.8
95.08582	35.4
97.02864	7.4
97.06506	14.8
97.10142	8.9
99.00785	2.1
99.04437	5.3
99.08053	2.5
103.05454	1.5
105.07016	55.6
107.04933	18.1
107.08578	48.8
109.06477	15.9
109.10133	15.7
110.00867	1.5
111.08068	6.1
113.05980	1.4
115.03966	1.3
115.05441	1.2
117.06995	25.3
119.08561	38.3
121.06468	11.0
121.10110	27.2
123.08057	12.1
123.11701	5.5
125.04906	1.2
125.05952	2.1
125.09600	2.1
127.03883	1.6
128.06238	1.8
129.06964	8.7
130.07787	2.4
131.08540	23.3
133.06450	3.2
133.10101	35.8
135.08046	6.6
135.11665	23.0
137.09608	2.7
143.08540	8.1
145.06532	1.7
145.10104	33.2
147.08018	6.3
147.11639	11.9
149.09576	9.9
149.13254	7.6
151.11189	7.4
153.12668	2.0
155.08559	5.6
157.10094	6.4
159.11613	10.9
161.09630	5.7
161.13248	2.6
163.11145	25.1
169.10077	1.7
171.11685	3.1
173.13246	5.4
175.11182	3.0
177.12740	1.8
179.02853	1.3
181.12184	2.9
191.10724	2.3
193.12231	5.7
195.13777	2.2
197.13181	2.4
209.11708	2.6
211.13171	10.4
227.12750	4.9
253.14258	9.6
255.15875	6.4
257.18939	1.7
259.20566	5.6
267.15833	1.9
269.17413	19.7
270.17371	1.5
273.18521	3.1
275.19952	12.8
277.63708	1.5
283.15335	64.8
285.16873	6.1
291.19473	9.7
299.14972	5.1
333.23987	5.4
339.53098	1.5
349.23621	11.2
365.23074	7.9
396.74292	1.6
413.21738	1.6
463.26770	21.3
477.28384	100.0
478.28842	1.9
481.28485	1.6
517.32050	1.5
539.33148	5.8
557.34583	29.6
575.35645	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	772.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82121	1.6
55.01859	19.6
55.05502	66.2
55.05757	3.0
57.03426	36.5
57.07061	2.2
59.04974	2.6
61.02911	7.8
65.03930	5.7
67.05489	92.4
67.05851	3.3
69.03411	22.0
69.07053	58.0
71.04987	11.9
73.02893	1.4
74.27442	1.2
79.05473	92.4
81.03398	72.9
81.07037	99.4
83.01319	6.9
83.04965	36.4
83.08598	44.2
85.02419	2.1
85.02890	37.2
85.06501	2.5
90.18819	1.3
91.03928	1.8
91.05460	77.2
92.09106	2.2
93.07023	87.2
95.04945	45.5
95.08581	36.6
97.02857	23.6
97.06511	19.3
97.10141	32.6
99.04455	2.4
99.08074	2.5
102.40440	1.3
105.07011	62.6
107.04938	31.9
107.08577	49.0
109.02851	2.4
109.06488	18.1
109.10126	17.1
111.04411	3.2
111.08056	16.0
113.05985	1.9
115.05427	2.0
117.07003	25.4
119.04935	3.3
119.08553	49.4
121.06492	10.1
121.10105	21.0
123.08059	14.3
123.11670	6.6
125.09616	20.9
127.03864	1.6
128.06195	3.0
129.06979	20.9
131.08539	36.6
133.06468	8.2
133.10092	27.6
135.08037	8.0
135.11661	16.4
137.09573	9.7
138.36006	1.4
141.06964	1.8
142.07751	2.7
143.08537	9.2
143.11752	1.3
145.06493	2.8
145.10092	28.8
147.07964	12.4
147.11662	27.5
148.71324	1.4
149.09595	15.3
149.13246	6.0
151.07465	1.5
151.11249	1.7
153.12741	1.6
155.08617	2.5
157.10074	15.5
159.07976	1.6
159.11684	10.7
161.09616	2.5
161.13177	1.5
163.11145	26.6
163.74698	1.3
165.09117	1.3
165.12764	2.0
169.10086	2.6
173.09505	3.2
173.13293	1.7
175.11139	18.2
177.12711	2.5
181.12236	1.6
189.11180	6.8
193.12187	30.0
195.13809	1.8
205.12221	1.6
211.13234	35.7
211.15013	1.8
223.13208	24.2
227.12726	19.2
249.14732	5.8
255.15953	1.6
257.19019	2.1
267.15814	24.3
269.17316	5.8
273.18494	12.2
275.20023	12.8
283.15320	41.2
285.16940	38.4
291.19470	100.0
349.23785	13.7
365.23172	41.4
453.24820	2.7
463.26932	6.1
477.28378	33.2
539.33191	1.8
557.34607	64.8
575.35657	66.5
654.15900	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41241	1.9
55.01863	17.1
55.05505	32.7
57.03200	1.6
57.03425	21.2
61.02891	3.6
65.03913	1.8
67.05147	3.2
67.05493	86.4
69.03401	9.9
69.07055	28.3
71.04987	11.9
79.05473	63.7
81.03397	65.0
81.07038	100.0
83.04967	27.9
83.08606	24.4
85.02885	28.0
85.06528	8.4
86.09693	7.5
87.34202	1.6
91.05463	95.0
92.09090	17.4
93.07025	58.3
95.04935	37.4
95.08601	31.1
97.02885	7.1
97.06472	12.5
97.10130	3.9
99.08062	1.9
105.07012	84.4
107.04928	17.5
107.08581	50.1
108.52471	2.0
109.02848	1.7
109.06488	19.4
109.10143	64.7
109.53786	1.6
111.04397	3.8
111.08072	11.0
113.05973	6.5
115.05464	2.0
117.06991	12.3
119.08555	36.8
121.06497	9.4
121.10126	18.0
123.04372	2.1
123.08018	7.4
123.11687	12.2
124.99994	1.7
128.06174	2.9
129.06976	22.0
131.08543	31.0
133.06441	10.1
133.10107	76.3
134.10486	1.8
135.08032	10.5
135.11641	9.9
137.09572	2.5
142.07750	3.4
143.08568	3.4
145.10101	13.2
147.08029	9.4
147.11696	15.2
149.09621	16.2
151.11165	30.1
155.08493	2.4
157.10078	13.2
159.08083	2.2
161.09529	6.7
161.13245	2.6
163.11166	3.3
165.12697	2.7
169.12189	2.4
171.11630	2.2
173.09653	1.8
175.11180	18.1
184.07291	15.8
193.12181	38.3
211.13266	49.3
215.12793	1.8
240.55312	1.7
245.18887	2.0
253.14294	75.3
267.15842	12.4
273.18466	19.6
275.20047	2.0
283.15366	3.2
285.16895	48.5
291.19540	28.2
347.22095	6.8
365.23233	26.4
463.26831	19.6
481.27957	26.9
491.97800	1.7
526.89771	1.9
539.33441	8.0
557.34717	26.0
575.35651	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	772.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	12.1
55.05265	2.2
55.05509	42.1
57.03428	27.6
59.04988	27.9
61.02911	2.6
65.03931	1.8
67.05492	91.2
67.21293	1.3
69.03413	8.9
69.07045	16.3
71.01358	1.2
71.04976	20.4
72.67456	1.5
74.09698	18.6
79.05049	2.5
79.05476	44.1
81.03398	100.0
81.06594	2.5
81.07043	50.6
83.04966	19.1
83.08600	29.5
85.02880	6.0
85.06524	7.0
87.04447	27.5
91.05455	49.1
92.08797	7.0
93.07020	37.7
95.04945	41.1
95.08591	22.6
97.02884	9.8
97.06514	13.3
97.10155	17.3
99.04435	9.6
103.05445	1.9
104.41556	1.5
105.03364	8.4
105.07002	34.4
107.04931	23.9
107.08587	27.0
109.02871	8.0
109.06485	9.7
109.09386	2.3
109.10141	52.5
109.10855	2.7
111.04405	11.5
111.08067	13.2
115.05399	2.6
117.06971	11.8
119.04919	5.7
119.08554	33.0
121.02824	2.1
121.06496	10.5
121.10119	21.9
123.04401	8.6
123.08062	3.2
123.11665	1.6
125.09629	10.2
127.03895	2.8
129.06990	16.3
131.08540	24.3
133.06476	6.6
133.10101	16.8
135.04411	7.4
135.08015	9.2
135.11642	7.9
137.05975	6.3
137.09586	3.4
141.07010	1.8
142.07799	5.8
143.08539	8.6
145.02831	2.5
145.06477	6.7
145.09111	1.4
145.10077	13.1
147.04410	11.0
147.08061	8.8
147.11700	14.2
149.05948	1.9
149.09598	18.3
153.12752	10.1
155.08517	3.4
155.10548	2.0
157.10075	17.2
159.11678	1.9
161.05939	6.4
163.03815	1.6
163.07417	2.1
163.11163	13.7
169.10141	1.6
173.05894	1.6
173.09608	2.8
173.11713	9.4
173.13130	2.0
175.07411	1.7
175.11154	11.9
177.05424	3.0
181.10254	1.5
181.12195	3.2
183.11607	1.6
185.13240	1.4
189.11162	5.9
191.10579	3.1
193.12192	34.0
197.13361	1.7
197.15326	2.9
199.13275	3.0
203.14310	2.3
209.11728	6.0
211.11386	2.2
211.13245	19.5
225.14836	6.0
227.12741	9.9
229.12337	1.6
229.14331	20.6
231.13753	3.1
233.89629	1.5
235.13191	2.6
249.14821	9.1
259.13040	1.6
267.15854	38.5
278.48624	1.6
283.15311	7.3
355.22403	6.7
365.20944	3.4
373.23676	2.3
383.22211	24.7
401.23044	12.8
421.25842	17.8
433.25684	3.6
457.25385	3.3
475.26672	18.1
489.29285	2.0
493.27759	8.2
507.29425	19.0
525.30414	5.9
607.68915	1.8
651.33112	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57645	0.7
55.05489	0.7
60.32266	0.6
67.05482	3.5
69.03397	4.0
73.59019	0.6
75.12954	0.8
79.05457	0.8
81.03394	21.5
81.07018	1.3
83.04961	1.0
91.05451	9.5
92.09045	2.4
93.06989	1.6
95.04930	0.9
97.02852	6.7
98.21141	0.7
99.04424	4.4
105.03378	3.6
105.07002	1.8
107.08567	1.4
109.02148	1.7
109.02862	43.6
109.10147	1.6
119.04919	22.9
119.08547	1.9
121.06437	1.0
121.10144	0.9
127.03899	11.8
131.08588	0.8
133.10081	1.1
139.03900	1.0
145.06427	0.9
147.04384	100.0
169.04936	21.7
175.14717	1.6
181.12202	1.2
219.90718	0.8
229.07031	1.5
229.11916	0.9
244.61201	0.8
255.06340	1.5
273.07523	3.2
315.08557	15.4
358.29541	0.9
412.49545	0.8
435.12726	4.5
488.29623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95487	1.6
55.01868	13.3
55.05506	37.7
56.96549	3.8
57.03423	27.0
59.04996	31.6
60.47977	1.4
65.03921	2.0
67.05140	3.2
67.05492	74.8
69.03407	12.2
69.07056	18.6
71.04978	17.7
76.21167	1.5
77.03895	2.8
79.05476	43.5
81.03398	100.0
81.07038	45.1
83.04958	23.9
83.08594	28.7
84.96017	1.9
85.02888	9.3
85.06518	2.4
87.04446	28.6
91.05463	45.9
91.41344	2.0
93.07017	32.7
95.04939	42.0
95.08597	19.7
97.02879	16.5
97.06516	9.4
97.10153	12.6
97.52367	1.6
99.04446	11.2
103.05463	2.6
105.03389	12.0
105.07011	41.7
107.04304	1.9
107.04932	18.2
107.08582	26.6
109.02863	36.1
109.06497	12.7
109.10146	49.5
111.04426	7.9
111.08072	11.7
116.98592	2.3
117.07025	8.2
119.04960	2.4
119.08554	25.7
121.06460	7.1
121.10125	21.5
123.04401	7.5
123.08029	2.6
125.09606	10.2
127.03923	9.1
128.06238	2.1
129.06985	18.4
129.70766	1.7
130.67535	2.2
131.08549	21.5
133.02832	15.7
133.06477	8.4
133.10104	18.2
135.04405	3.3
135.08017	3.4
135.11646	8.9
137.05940	4.6
137.09613	3.8
142.07794	7.6
143.08479	2.5
145.06502	2.6
145.10086	11.6
147.04396	7.6
147.08020	8.8
147.11679	13.3
149.09599	17.2
153.09082	2.9
153.12767	7.6
157.10049	14.9
159.08092	2.4
159.11681	3.8
161.05933	3.6
161.09685	3.0
163.03899	2.2
163.11201	12.3
169.04953	9.4
169.10045	2.7
171.11607	2.8
173.09653	2.8
173.11688	7.7
173.13390	1.9
175.07349	2.2
175.11121	14.8
177.05463	3.0
181.12187	2.9
183.11670	2.4
189.11261	3.0
191.10472	6.3
193.12215	32.6
199.13255	2.8
205.12160	2.4
209.11714	8.0
211.02695	3.9
211.13174	19.9
225.14906	2.7
227.12785	9.4
229.12279	3.0
229.14285	26.2
231.13887	2.1
241.14140	2.0
247.13243	3.6
249.14825	3.1
253.03717	2.1
267.15884	36.6
280.42386	2.4
283.15372	8.6
285.09964	4.4
286.10498	2.4
327.47406	2.3
329.06415	4.5
355.22626	3.0
365.20901	2.9
383.22079	12.2
401.23065	15.9
421.25955	16.1
433.25726	3.3
457.25690	2.8
475.26810	15.9
507.29517	21.2
525.30481	8.5
556.83807	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	26.6
57.03430	28.5
57.07065	53.7
60.08146	5.4
61.02907	3.2
67.05492	68.5
68.61354	2.8
69.07052	22.3
70.53362	2.8
71.08604	39.5
79.05467	46.0
81.06593	4.6
81.07034	66.6
83.08606	13.5
85.02902	3.6
85.10159	15.4
86.09691	40.2
91.05459	17.8
93.07017	49.8
95.08588	68.0
97.10137	4.1
105.06986	20.9
107.08583	26.7
109.06511	4.1
109.10123	23.5
117.07007	4.7
119.08553	13.1
121.10100	20.4
123.11650	5.8
124.99994	30.9
131.08577	13.1
133.10075	6.2
135.11653	6.4
135.59871	2.9
145.10110	5.7
149.13228	4.0
159.11626	11.0
184.07278	82.2
184.08746	4.8
187.14702	4.5
192.58359	2.9
201.16116	3.3
243.21002	5.4
257.24597	3.4
261.22076	24.5
313.27298	100.0
317.24667	5.0
317.72064	3.2
335.25684	85.8
411.25723	2.8
573.48657	46.1
591.49963	4.3
770.57050	3.8
772.12598	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	771.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81740	1.4
55.05510	4.0
57.03417	1.4
57.07058	1.5
59.00241	1.4
59.10431	1.3
67.05494	10.0
67.82384	1.4
69.07053	2.3
71.08633	1.9
79.05480	9.5
81.07043	10.2
82.07410	2.6
85.02898	2.8
91.05463	8.8
92.08579	2.5
92.09205	9.1
93.07043	8.1
95.08605	7.8
105.07024	6.9
107.08614	3.5
109.06537	1.8
109.10147	2.6
119.08596	3.0
121.10118	3.9
131.08537	2.1
133.10130	3.4
147.11842	2.2
174.74918	1.7
184.07457	2.3
267.16095	2.0
283.15128	3.4
339.17697	2.0
399.84476	1.9
465.17429	10.2
503.38574	1.9
511.28674	7.0
527.04114	2.3
545.39154	2.0
595.41504	2.7
612.46967	3.5
683.51666	1.8
721.41205	48.7
771.44794	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	771.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81990	2.5
55.05490	12.9
57.03421	12.0
57.07065	20.7
61.02903	10.2
67.05494	21.9
69.07042	10.2
71.08611	11.4
73.02904	4.5
79.05463	15.9
81.07036	31.7
83.08624	3.2
83.10519	2.5
85.02883	3.6
85.10160	4.5
86.09692	22.3
86.36400	2.4
91.03928	3.6
91.05448	11.1
92.08784	5.6
92.09281	4.6
93.07035	20.4
95.08579	23.1
96.33110	2.4
97.02857	5.6
97.10151	2.7
107.08560	13.2
107.58056	2.4
109.10131	11.5
110.34464	2.5
111.88995	2.7
121.10105	3.8
124.99979	18.2
131.08446	3.9
173.59804	2.8
184.07301	45.6
261.22260	4.7
313.27234	25.3
314.27551	13.2
335.25732	15.0
336.25992	3.9
418.11334	3.4
493.27411	2.9
519.29260	3.3
573.48816	3.9
574.48645	11.8
580.40967	2.9
771.37207	5.1
771.50000	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	770.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95312	1.6
55.01865	22.3
55.05505	25.6
57.03426	18.6
57.07059	3.7
61.02926	2.5
64.92173	1.7
65.03921	2.5
67.05489	100.0
69.03403	3.8
69.07047	25.1
69.24323	1.7
71.04987	6.3
74.31107	1.7
77.05019	1.5
77.58231	1.7
79.05470	57.9
81.03400	19.6
81.07034	97.9
83.04961	10.0
83.08609	11.3
85.02882	3.9
85.06525	7.4
86.09686	10.7
91.05458	80.0
91.06005	3.8
92.09005	16.2
93.07015	64.3
95.04926	15.7
95.08578	59.4
97.06499	4.2
97.10148	7.0
105.07013	49.5
107.04935	3.4
107.08575	39.2
109.02847	2.5
109.06477	7.7
109.10137	35.3
109.17617	2.1
111.04443	3.2
111.08113	2.5
117.07001	8.1
119.08559	25.9
121.10126	20.2
123.11674	13.4
125.00015	3.5
125.09558	2.5
128.06168	2.3
131.08554	15.4
133.10106	88.7
135.11702	17.2
143.08574	9.3
145.10088	9.7
145.79039	2.0
147.11711	8.4
149.13226	4.7
151.11157	55.2
159.11665	3.5
161.09517	17.2
161.13206	6.8
162.76331	2.1
163.14775	2.3
173.13237	4.4
179.10670	12.3
184.07306	24.1
185.07596	2.9
187.14880	2.9
205.46069	1.8
207.10156	3.9
211.13297	2.0
221.11725	24.8
239.12808	3.9
243.21046	3.4
261.22058	14.3
281.13681	2.9
313.16388	75.3
317.24481	2.3
335.25699	94.1
394.45914	2.1
513.36102	2.1
541.34760	12.0
573.37738	84.8
574.37903	3.0
581.40161	9.3
591.87384	1.9
611.46124	2.6
676.65015	2.4
763.56445	2.5
770.47797	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	0.8
57.07070	0.9
58.41070	0.5
60.08146	9.4
67.05438	0.6
71.07355	6.1
72.23343	0.6
74.20390	0.6
75.29894	0.7
79.05450	1.0
81.07031	1.5
86.09692	49.9
92.08782	3.2
95.08562	0.8
98.98446	5.3
104.10707	4.7
124.99984	40.4
140.86452	0.6
145.64493	0.7
184.07306	100.0
185.07487	0.7
243.06743	0.8
770.53070	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	770.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21841	0.4
55.01860	5.6
55.05502	25.7
57.03428	19.3
57.07046	3.4
59.04971	2.0
61.02916	6.3
65.03915	2.3
66.83882	0.4
67.05491	71.9
68.86464	0.5
69.03417	3.6
69.07052	14.9
70.94376	0.4
71.04967	2.7
73.02929	0.6
79.05472	46.6
81.03394	8.7
81.07035	72.7
83.04971	5.3
83.08606	12.8
85.02887	22.0
85.06522	3.6
87.04470	0.5
87.09161	0.4
91.03942	1.7
91.05456	54.6
92.08522	0.8
92.08960	4.2
93.07020	64.1
95.04949	9.1
95.08581	48.6
96.08917	0.6
97.02869	10.5
97.06496	4.6
97.10151	4.3
99.00816	0.5
99.04428	0.7
99.08038	2.1
103.05479	0.8
105.04498	0.8
105.07008	34.3
107.04939	7.0
107.08572	32.1
109.02861	12.2
109.06483	6.0
109.10136	21.0
111.04432	2.0
111.08041	4.6
113.02343	43.8
113.05971	0.6
115.03884	0.7
115.05399	0.6
117.06989	10.1
119.08553	21.6
121.06470	8.3
121.10118	20.0
123.04366	2.0
123.08009	2.4
123.11671	6.9
125.09598	1.1
127.03867	2.5
128.06178	2.7
129.05481	4.8
129.06950	2.1
131.08543	13.1
133.06468	2.1
133.10103	64.8
135.08035	2.3
135.11665	13.0
137.09534	2.4
143.08546	7.6
145.06468	1.2
145.10117	8.1
146.07265	0.8
147.08040	1.0
147.11647	5.6
149.13225	5.7
151.07646	0.5
151.11160	20.3
153.09087	2.7
159.11670	5.8
161.09589	24.7
161.13255	3.4
163.11183	1.1
163.14825	2.5
165.09045	0.6
167.24034	0.5
171.07993	5.1
173.13225	4.0
175.14764	0.8
177.16304	0.8
179.10635	24.1
187.14738	2.2
189.09096	9.0
193.12231	1.2
193.66766	0.6
201.16348	0.6
207.10133	11.1
211.13303	5.0
215.17908	0.5
221.11638	0.7
225.11197	5.6
227.12892	0.6
239.12720	5.4
243.21054	4.0
261.22089	12.4
281.13943	0.6
313.16385	70.7
314.16702	0.7
315.23016	3.6
317.24658	2.1
320.25671	0.6
335.25726	100.0
336.25943	1.0
449.30472	0.7
467.31372	4.6
477.43896	0.6
485.32404	4.0
493.27588	0.5
513.35382	2.2
531.36450	0.7
541.35107	11.2
559.36218	5.0
573.37744	57.6
574.37848	0.9
647.51923	0.6
770.46997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.0
55.05504	30.1
57.03426	19.6
57.03695	0.5
57.07050	1.3
59.04964	2.5
61.02911	6.5
65.03911	2.2
67.05489	69.9
69.03413	5.0
69.03711	0.5
69.07050	17.0
69.54089	0.4
71.04956	3.6
73.02881	2.4
77.03878	0.6
79.04991	0.6
79.05472	42.6
81.03392	9.5
81.07034	71.9
83.04965	6.4
83.08595	13.8
85.02885	22.6
85.06512	3.6
86.09680	2.5
87.04429	0.7
87.08107	0.6
91.03898	1.2
91.05457	64.1
92.08759	2.9
92.09346	1.3
93.07020	60.7
95.04954	9.9
95.08580	48.8
97.02867	12.5
97.06491	3.9
97.10120	4.6
99.04440	0.6
99.08072	1.1
103.03958	0.6
103.05431	1.3
105.07010	39.8
105.07725	1.4
107.04946	7.9
107.08571	31.9
109.02850	14.7
109.06502	5.8
109.10137	21.0
109.21352	0.6
111.04410	3.0
111.08057	5.7
113.02346	52.1
115.03873	0.9
117.06984	9.8
119.04877	0.6
119.08559	23.1
121.01528	0.6
121.02932	0.8
121.06488	9.7
121.10119	17.6
123.04408	1.1
123.08057	4.1
123.11693	8.2
125.09585	0.8
127.03879	3.9
128.06158	2.4
129.05428	6.1
129.06956	0.9
131.08528	13.4
133.06465	2.5
133.10100	89.0
135.08006	1.2
135.11656	13.9
137.06004	0.8
137.09570	2.8
137.13225	1.2
143.08534	8.4
145.10085	7.3
147.07988	1.4
147.11684	5.4
149.13237	6.5
151.11150	25.7
153.06961	0.7
153.09053	2.5
157.10074	0.7
159.11633	6.5
161.09586	31.0
161.13220	2.9
162.66548	0.5
163.11130	0.6
163.14777	2.7
171.07973	6.3
173.13214	4.7
175.14793	1.1
179.10623	33.1
184.07343	4.7
187.14810	1.0
187.62790	0.7
189.09074	9.8
189.10899	0.7
193.12170	3.7
195.74960	0.6
201.16293	0.6
207.10112	13.3
211.13223	6.3
225.11115	6.7
239.12714	6.9
243.20959	3.0
261.22061	14.0
281.13766	0.9
306.27893	0.9
313.16385	100.0
314.16888	0.9
315.23117	3.0
317.24640	1.4
335.25726	85.8
336.26129	0.7
449.30893	1.9
459.38715	0.8
467.31439	4.8
485.32315	3.1
509.62009	0.8
513.35773	3.1
515.37164	0.6
531.36743	1.1
541.35156	16.5
559.36462	4.1
573.37756	45.2
578.95441	0.8
591.39380	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	11.7
55.05504	34.1
57.03415	11.2
65.03904	2.2
67.05493	72.2
69.03407	4.9
69.07052	26.7
71.04966	3.7
75.95359	2.0
79.05472	100.0
81.03391	14.5
81.07034	78.5
83.04953	22.6
83.08594	11.4
85.02886	4.3
91.05457	76.3
92.08682	4.2
92.09271	5.9
93.07021	90.7
95.04933	35.3
95.08582	42.0
96.31932	1.8
97.02895	3.6
97.06503	17.0
97.10123	11.9
105.04517	2.2
105.07005	64.1
107.04929	14.6
107.08571	37.6
109.06493	9.5
109.10143	15.2
111.08066	3.5
117.06987	22.4
119.08561	49.6
121.06520	3.2
121.10121	15.4
123.07999	8.0
125.09575	3.0
129.06950	21.4
131.08495	21.0
133.06355	3.0
133.10095	26.5
135.08035	2.7
135.11629	8.4
143.08542	13.1
145.10078	17.6
147.11674	29.0
149.09657	15.1
149.13229	4.2
159.11667	10.2
161.09554	8.9
161.13234	10.8
163.11139	10.7
171.11609	17.0
173.13216	3.6
177.12762	2.6
184.07324	3.7
189.12659	4.1
207.13799	13.6
227.12665	8.8
253.14394	2.6
257.18866	4.0
269.17435	5.0
275.20029	16.7
281.17395	40.1
349.23535	14.0
435.27325	2.9
461.28748	20.3
475.30524	67.2
537.35510	2.5
555.36755	45.2
573.37335	9.5
771.32666	2.6
802.00952	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	770.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	15.2
55.05504	35.1
57.03420	12.0
57.07061	3.0
65.03921	3.1
67.05145	4.0
67.05494	82.0
67.90134	1.6
69.03400	7.0
69.07050	34.4
71.04954	3.4
72.78566	1.6
76.81144	1.6
79.05473	100.0
81.03399	18.5
81.07037	84.6
83.04976	17.7
83.08604	16.0
85.02917	2.1
85.06528	3.6
91.05463	76.2
91.06010	3.9
92.08852	11.5
92.09367	2.3
93.07027	83.3
95.04931	25.0
95.08588	43.2
97.02857	3.6
97.06516	19.3
97.10133	10.3
101.03817	1.7
103.05369	2.2
105.04520	2.0
105.07008	66.3
107.04936	14.7
107.08574	35.0
109.06499	10.6
109.10152	10.1
111.08042	1.9
114.36722	2.0
117.06992	20.6
119.08557	44.6
121.10131	16.2
123.08043	9.1
123.11652	1.9
125.09618	4.2
127.03918	2.1
129.06979	22.1
131.08551	21.3
133.06439	2.5
133.10127	26.3
135.07977	3.9
135.11656	12.8
141.06915	2.6
143.08557	12.3
145.10104	22.0
147.08009	3.1
147.11662	36.4
149.09586	8.9
149.13272	7.5
151.11189	2.3
156.09222	2.0
157.10114	3.3
159.11646	10.2
161.13263	10.0
163.11166	8.9
171.11678	25.4
173.13342	2.3
189.12708	7.0
207.13802	11.9
227.12741	8.3
255.15776	3.9
257.18890	8.0
269.17361	7.9
275.20056	22.8
281.17416	34.5
348.79852	2.2
349.23666	14.3
451.27069	2.2
461.28931	23.4
475.24158	3.8
475.30499	75.4
555.36682	41.1
573.36926	9.2
595.30475	2.0
604.46130	2.0
619.35400	2.9
763.99933	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	22.1
55.05507	50.5
57.03426	20.3
59.05012	2.7
61.02916	4.5
65.41422	2.8
67.05491	82.3
69.03428	6.3
69.07054	20.6
71.04977	15.1
73.02870	2.8
79.05478	60.2
81.03396	16.5
81.07037	97.6
81.10809	2.4
83.01327	12.3
83.04974	31.1
83.08606	16.0
85.02890	16.3
85.06528	3.9
91.05457	85.5
92.09078	3.2
93.07013	77.7
95.04966	22.5
95.08585	29.4
97.02869	5.1
97.06519	11.0
97.10123	5.2
105.07015	67.3
107.04939	18.0
107.08576	58.6
109.06507	16.5
109.10135	79.3
111.04377	4.1
111.08076	3.4
113.05955	3.4
117.07008	16.5
119.08563	25.4
119.18067	2.5
121.06473	18.9
121.10147	10.7
123.08051	13.4
123.11693	12.5
127.07479	2.9
129.06949	6.0
131.08556	23.1
133.06454	3.8
133.09174	5.5
133.10104	92.9
135.08049	11.1
135.11679	16.3
143.08540	5.9
145.10159	25.4
147.08003	10.3
147.11693	3.6
149.09575	3.9
151.11119	34.4
161.09627	3.6
163.11130	28.7
169.12251	3.3
226.73036	2.7
241.19397	2.6
253.14310	100.0
273.18326	20.1
283.15347	69.8
291.19562	20.0
347.22003	5.7
365.23172	31.8
479.26257	58.9
555.32867	15.6
573.34137	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01633	0.7
55.01867	12.5
55.05507	38.2
57.03430	12.9
57.07058	1.2
59.04980	4.3
59.92136	0.7
61.02906	4.2
67.05148	1.3
67.05493	36.1
69.03413	11.9
69.07056	31.4
71.01294	0.8
71.04963	4.7
79.05473	43.7
81.03397	14.5
81.07039	34.6
82.07353	0.8
83.01310	9.7
83.04955	13.4
83.08596	19.5
85.02874	6.4
85.06545	1.3
91.03882	0.7
91.05463	27.3
93.07025	41.5
95.04942	13.3
95.08591	15.3
97.02876	14.9
97.06507	7.8
97.10155	14.2
99.04420	3.4
105.03400	1.1
105.04525	0.7
105.07018	21.5
105.07726	1.0
106.91593	0.7
107.04941	14.6
107.08583	24.0
108.05719	0.8
109.02855	1.2
109.06510	9.0
109.10143	10.9
111.04404	2.5
111.08064	3.3
115.05400	1.1
117.07011	14.7
119.04918	1.5
119.08562	24.1
121.06477	9.5
121.10112	9.3
121.30003	0.7
123.04390	0.9
123.08064	9.7
123.11691	1.2
125.05968	0.9
125.09593	10.7
127.03918	0.8
128.06189	1.0
129.06972	4.6
130.07785	1.3
131.08543	11.1
133.06476	4.7
133.10118	6.9
134.07281	0.8
135.08023	5.8
135.11681	8.8
137.09560	3.1
143.08527	4.3
145.06480	1.4
145.10107	21.1
147.08049	8.2
147.11682	3.8
149.09596	1.7
149.13228	1.3
151.11139	1.4
153.09062	1.1
153.12689	0.8
155.08528	1.5
157.10081	1.3
159.11664	4.0
161.09558	3.8
163.11148	19.0
165.09119	1.4
171.11638	1.1
173.09550	2.9
175.11156	1.4
177.12700	1.0
181.12178	1.7
184.07315	2.9
189.11159	2.7
191.10632	1.3
193.12204	0.9
195.13768	1.3
205.12251	1.4
209.11755	3.4
223.13264	22.5
227.12752	5.3
245.19026	0.9
249.14853	6.4
273.18393	11.7
283.15353	49.8
291.19485	100.0
292.19772	0.9
347.22064	0.8
352.65005	0.9
365.18619	1.3
365.23181	38.7
400.99536	0.9
491.08679	0.8
493.27570	3.1
555.32874	3.4
573.34155	94.9
723.16101	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.9
55.05506	24.7
56.05040	2.5
57.03432	26.7
57.07062	3.4
61.02908	11.3
65.03921	3.0
67.05491	80.5
67.72010	1.5
69.03419	3.0
69.07047	24.2
71.04964	7.2
79.05476	69.5
80.04988	3.7
81.03394	10.4
81.07040	100.0
83.04951	8.7
83.08596	16.5
85.02877	14.8
91.03942	2.7
91.05460	82.3
92.04983	6.5
92.08657	6.6
92.09281	10.2
93.07022	68.7
94.06527	3.6
95.04958	17.1
95.08584	69.2
97.02853	4.1
97.06493	10.8
102.05546	1.5
103.05470	2.5
104.04973	2.6
105.07017	40.0
106.06562	13.1
107.04932	8.9
107.08572	34.5
107.92599	1.7
108.04453	1.9
109.06510	8.7
109.10135	25.3
111.08081	2.6
115.05413	2.6
116.04942	2.0
117.05754	12.2
117.06976	15.7
118.06525	55.8
119.08558	28.1
121.06493	6.8
121.10114	30.3
123.08086	3.6
123.11681	7.0
128.06206	1.7
129.06967	27.8
130.06500	3.2
131.07442	2.5
131.08522	31.5
132.08028	6.6
133.10117	28.0
135.08083	2.2
135.11636	17.0
136.08838	1.6
137.09634	3.0
141.06967	3.0
142.06580	4.6
142.07745	8.7
143.07343	3.9
143.08548	11.4
144.08066	2.3
145.09119	1.7
145.10120	14.0
146.09641	2.7
147.11653	22.5
149.09607	6.7
149.13258	8.4
152.06204	2.8
155.08533	3.9
156.08067	14.1
156.09167	1.8
157.10075	29.7
158.09612	3.7
159.11679	9.7
160.11333	2.6
161.13240	7.4
167.08514	10.1
169.08803	3.8
171.11540	2.4
172.11150	2.3
173.13231	3.7
174.12770	3.9
175.11168	7.2
175.14706	2.0
183.11606	2.2
184.07367	6.4
184.11131	16.2
185.13307	2.1
187.14748	2.5
193.12225	7.7
202.12212	17.3
211.13254	3.5
243.21085	3.4
261.21927	14.7
267.15903	3.2
276.15863	42.0
285.16797	3.6
294.16992	23.5
312.17929	26.8
335.25751	90.7
342.83215	2.0
444.32047	2.2
462.33423	7.7
480.34406	6.5
527.37207	22.6
536.37128	25.9
545.38110	11.5
554.38287	45.5
572.39526	28.6
590.40448	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	769.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81630	1.0
55.01865	2.2
55.05503	24.7
55.87928	1.2
56.05016	2.2
57.03424	24.6
57.07050	2.4
61.02911	8.9
65.03929	6.4
65.73560	1.1
67.05491	86.5
68.78151	1.1
69.03397	1.9
69.07055	29.8
71.04974	1.3
79.05472	70.4
80.04987	1.9
81.03404	9.0
81.07036	91.5
83.04958	7.1
83.08593	15.4
84.04475	1.4
85.02890	9.2
85.06535	5.1
86.09676	1.4
91.03934	3.0
91.05459	72.6
92.04972	5.6
92.09097	2.0
93.02814	1.1
93.07020	73.4
94.06542	2.8
95.04949	16.7
95.08583	64.2
97.02878	4.8
97.06480	9.2
97.10132	2.9
105.07010	34.5
105.07664	2.2
106.06536	5.2
107.04927	7.3
107.07389	1.4
107.08577	35.7
108.04515	1.5
109.06493	7.9
109.10136	21.0
111.08073	1.7
115.05468	4.6
116.04935	1.8
117.05740	2.6
117.06995	16.0
118.06515	38.0
119.08549	26.1
120.04507	1.2
120.08079	1.6
121.06453	1.9
121.10120	32.6
123.08078	2.1
123.11691	2.9
125.09567	1.8
128.06221	1.2
129.06984	19.6
130.06474	2.8
131.07564	2.1
131.08534	25.1
132.08086	1.9
133.10103	19.0
135.08070	1.3
135.11685	14.2
142.06529	6.4
142.07681	2.1
143.07326	2.5
143.08559	6.0
144.08000	2.3
145.10081	17.3
146.09634	2.5
147.11659	16.2
149.09665	2.5
149.13187	10.1
152.06122	1.4
155.08531	1.6
156.08066	11.3
157.10095	21.0
158.09666	2.5
159.11679	8.9
161.13210	2.7
163.14815	1.9
167.08481	8.9
168.08051	2.0
169.08783	6.1
171.11629	2.1
173.13100	4.0
174.12740	5.2
175.11133	2.5
175.14641	1.3
184.07469	1.7
184.11192	12.8
185.09554	1.8
185.13237	1.4
187.14818	2.4
193.12224	2.8
202.12230	12.4
230.52002	1.2
243.21046	6.8
259.20566	1.6
261.22055	21.3
267.15848	2.9
276.15833	26.4
294.16956	15.1
312.18021	13.3
333.24130	2.4
335.25729	100.0
453.33542	2.2
462.33459	8.2
480.34479	4.8
527.37299	15.1
536.37256	27.2
545.38336	11.3
554.38220	30.3
571.51776	1.4
572.39404	35.4
590.39984	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	766.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79955	1.4
55.01867	2.0
55.05504	32.9
57.03432	24.3
57.07067	12.3
57.93896	1.4
61.02902	6.2
65.03918	2.2
67.05489	100.0
67.85909	1.6
68.81845	1.5
69.07048	36.4
71.04954	2.8
71.08605	1.8
77.54452	1.5
79.05473	51.0
81.07035	92.5
83.08590	19.7
85.02927	1.6
85.06528	2.6
85.39051	1.4
85.57781	1.4
86.09697	7.7
91.03962	1.7
91.05451	29.6
93.07018	51.8
95.04945	2.2
95.08581	70.9
97.06482	1.9
97.10132	6.0
99.08062	2.7
105.07012	25.4
107.08576	30.7
109.10128	27.3
111.08082	2.0
117.06979	7.7
119.08562	21.2
121.10124	24.7
123.11695	8.0
124.99986	6.8
131.08528	12.6
131.80797	1.6
133.10115	19.4
135.11653	15.5
143.08591	2.0
145.10127	7.9
147.11676	10.4
149.13242	7.1
157.10117	2.6
159.11678	8.2
161.13232	9.2
163.14711	1.8
173.13255	2.8
175.14793	3.0
184.07262	15.7
195.00256	37.2
196.00655	1.8
202.78864	1.5
217.19556	2.7
222.45480	2.2
233.18939	2.2
240.11833	1.8
243.21043	1.9
259.20508	2.6
261.21970	12.5
309.24191	40.5
311.25806	3.4
335.25702	56.5
337.27527	2.1
416.00574	1.7
449.38193	1.7
470.59436	1.9
498.87061	1.6
515.67694	1.9
569.45728	26.4
577.51532	1.8
587.46515	15.0
593.44562	2.0
594.45459	7.0
701.67834	2.1
702.44385	2.0
766.46417	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	768.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.7
55.05504	34.2
57.03416	6.6
59.69785	1.1
65.03942	1.3
67.05492	49.7
69.03408	9.2
69.07049	27.0
71.04970	2.7
71.83784	1.2
79.05472	61.9
81.03405	8.4
81.07036	40.2
83.04980	10.8
83.08600	9.9
85.06516	1.5
91.05453	46.2
91.67896	1.3
93.07020	52.1
95.04943	22.8
95.08571	23.7
97.02863	10.9
97.06522	5.4
97.10166	11.4
105.07001	38.7
107.04942	10.0
107.08587	20.2
109.06500	3.0
109.10155	8.4
117.06989	14.3
119.08559	26.1
121.06464	5.5
121.10117	6.2
123.08047	3.1
125.09631	7.5
129.06970	15.1
131.08562	8.8
133.06470	6.2
133.10078	10.6
135.08043	5.1
143.08548	9.1
145.10103	9.5
147.08026	9.5
147.11652	23.1
149.13235	2.4
151.11159	1.5
161.09593	6.3
161.13260	5.3
163.11185	2.1
171.11617	10.6
184.07289	1.6
188.86169	1.4
189.12704	2.1
205.12244	2.3
207.13705	10.7
207.73236	1.4
223.13242	16.6
249.14771	5.9
273.18445	13.9
281.17419	30.5
291.19476	80.0
291.61273	1.5
365.23184	24.6
453.06277	1.6
473.28809	1.9
553.34979	3.4
571.36151	100.0
572.36249	2.7
601.27405	1.5
735.04681	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.7
55.05512	13.2
57.03429	28.9
57.07068	48.8
58.50771	0.9
67.05495	21.9
69.03428	2.1
69.07055	10.2
69.07352	1.0
71.04944	1.4
71.08616	33.2
78.87949	1.1
79.05478	13.4
81.03402	100.0
81.07039	28.0
83.04970	5.3
83.08601	26.9
85.02889	4.7
85.10166	18.2
86.09689	5.8
89.05984	1.8
91.05465	19.5
93.07032	10.7
95.01283	2.3
95.04944	30.6
95.08582	28.0
97.02863	2.3
97.06520	1.5
97.10152	8.5
103.07539	1.4
105.07011	11.3
107.04923	7.1
107.08569	3.1
109.06494	5.8
109.10130	15.2
111.08067	7.4
115.05425	1.8
117.06992	2.6
117.28996	1.4
119.08554	17.3
121.06484	5.0
121.10113	7.0
123.04382	2.4
123.07999	1.4
123.11679	1.8
124.99963	5.0
129.06975	8.9
131.08549	9.4
133.06488	1.8
133.10088	4.8
135.08038	2.0
141.01880	1.5
141.07004	1.5
143.08592	1.6
145.10112	1.9
147.08058	2.5
147.11668	7.6
149.09593	7.7
157.10159	10.8
161.05997	1.6
163.11118	1.6
165.12778	1.5
173.13217	1.7
175.11227	9.5
184.07353	13.5
193.12207	33.5
235.13219	1.7
239.23671	2.8
249.14885	1.9
267.15869	84.0
271.13153	1.5
309.16788	2.0
313.27319	94.2
443.18884	5.3
505.38809	83.0
505.46249	2.7
541.38947	1.6
547.39734	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	766.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.7
57.07072	0.1
57.75644	0.1
57.96144	0.1
58.06579	0.2
60.08155	7.7
60.08462	0.3
66.81030	0.1
70.06577	0.1
71.07355	3.7
71.08601	0.1
77.60226	0.1
79.05467	0.2
81.03398	0.5
81.07053	0.2
86.09692	39.6
86.25297	0.1
92.08710	0.7
92.09335	0.3
95.08586	0.2
98.98450	3.1
104.10731	2.8
123.39156	0.1
124.99981	27.1
125.05765	0.1
143.01053	0.2
171.02567	0.1
184.07310	100.0
185.07704	0.2
186.69360	0.1
225.64345	0.1
229.79782	0.1
248.24846	0.1
331.66812	0.1
468.47437	0.1
468.54855	0.1
531.09985	0.2
539.88281	0.1
716.48450	12.4
717.48065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
55.05497	0.6
61.02896	0.8
65.03925	5.9
67.05467	1.1
69.03406	3.0
69.07089	0.6
79.05450	1.7
81.03404	1.8
81.07029	0.8
82.04176	1.0
83.04974	0.9
85.02891	5.6
85.12266	0.5
91.05438	3.5
93.03384	2.5
93.07034	0.8
95.04939	1.1
95.08584	0.6
97.02870	2.5
97.06493	0.7
99.04395	0.6
103.05445	1.8
105.03359	0.9
105.06989	2.0
107.04935	4.6
110.03637	6.2
111.04430	9.0
116.10744	0.6
117.06988	0.8
119.04912	4.1
121.02837	4.7
121.06447	1.7
121.10081	0.5
122.03635	0.6
123.04394	0.9
123.08009	0.6
125.05970	9.0
128.06189	0.6
129.06967	2.7
131.04892	2.6
131.08511	1.0
133.02829	5.4
133.06491	0.8
135.04419	0.5
135.08046	1.9
135.31790	0.4
137.05956	12.3
138.03127	0.7
141.05469	0.4
145.06471	2.4
147.04402	5.2
147.07997	1.1
149.02264	1.8
149.05948	2.4
151.03946	0.5
151.07516	4.7
153.05434	15.4
157.06430	1.9
159.08011	2.6
161.05939	6.0
161.09637	2.3
162.06773	0.8
163.03899	0.6
163.07507	4.5
165.05525	0.9
165.06909	1.6
165.09200	0.6
167.06995	10.1
167.08418	1.0
169.06566	0.5
171.06476	0.8
173.09653	0.5
174.06805	0.7
175.07518	3.3
177.05438	1.1
177.09090	2.5
178.07777	0.6
179.06958	2.9
179.08522	1.0
181.04951	6.9
181.06343	0.8
181.08539	4.1
182.07277	0.5
183.07974	0.5
184.05270	0.5
187.07443	0.7
189.09082	6.0
191.06998	2.2
193.08585	1.7
194.07309	1.0
195.08038	3.4
195.10120	2.0
197.05977	1.0
197.09613	1.1
199.07501	0.5
205.06531	0.8
207.08093	1.0
209.05894	1.0
209.07828	1.2
209.09702	0.6
210.06706	2.2
211.07585	2.7
212.08179	0.5
213.09074	0.9
217.08545	0.6
219.08142	1.5
219.10072	1.9
221.06039	0.7
221.09665	4.4
222.06706	0.8
222.10349	1.1
223.07487	4.1
224.08228	1.9
225.09018	3.2
226.06178	0.5
227.06889	0.7
227.10608	1.8
234.06711	2.6
235.07513	1.9
235.11223	0.6
236.08286	0.7
237.05428	0.7
237.09084	4.1
238.06166	2.4
238.09738	4.5
239.07062	2.0
239.10561	3.3
240.07733	7.2
241.08482	2.4
242.09184	0.5
247.07523	0.9
248.08286	0.9
249.05403	0.5
249.09000	4.9
250.09773	0.8
250.38840	0.6
251.06985	2.9
251.10606	2.2
252.07739	3.1
253.08559	13.4
253.12134	4.2
254.09319	2.6
255.06451	1.8
255.10121	5.7
256.10971	0.6
257.08044	2.8
257.11880	0.7
263.07053	0.8
263.10638	0.6
265.08472	3.6
266.09259	4.0
267.06424	1.8
267.10089	5.6
268.07242	3.1
268.10458	0.5
269.08060	3.2
269.11530	1.1
270.08823	2.4
271.09726	0.7
271.13251	1.1
277.08545	2.0
278.09213	0.8
279.06479	0.6
279.10217	2.1
280.07285	0.7
281.08060	5.2
281.11655	6.5
282.08890	1.1
283.06229	0.8
283.09604	9.3
283.12827	1.0
284.10367	2.8
285.07806	1.6
285.11154	3.3
285.14850	1.8
293.08182	0.7
293.11584	1.1
294.08832	1.7
295.09668	4.5
296.10287	1.0
297.11035	2.1
298.08340	2.4
298.11877	3.5
299.12750	4.6
300.09753	7.0
303.15738	0.7
307.09579	0.7
309.11124	7.3
310.11996	2.7
311.12540	2.5
312.09824	0.9
313.10635	26.9
313.14313	16.6
314.11343	0.8
315.12421	1.0
321.11084	0.6
323.12735	0.9
325.10638	0.9
326.11377	3.2
327.12216	25.8
328.12994	1.8
329.13794	2.1
331.15372	8.1
339.12152	6.9
340.12775	0.6
341.13800	11.3
343.15353	1.1
353.13672	2.2
355.15375	1.1
357.13306	1.0
359.14813	100.0
360.15158	2.6
361.16464	6.7
367.15344	0.8
371.14780	15.1
373.16302	2.1
385.16531	0.8
389.15771	6.6
509.21802	3.7
510.30267	0.6
521.21747	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	766.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.6
55.24283	0.3
57.03414	0.3
63.89163	0.3
65.03927	6.9
67.05492	0.9
67.37463	0.3
67.44768	0.3
69.03423	0.4
71.04990	0.3
73.69939	0.3
79.05466	0.8
81.03387	0.8
82.04139	0.7
85.02887	0.6
91.05456	2.8
93.03369	3.0
93.07010	0.4
95.04937	2.4
97.02874	0.5
97.06514	0.4
99.98030	0.4
101.00777	0.4
103.05434	0.5
105.03360	0.8
105.06992	0.5
107.04934	3.6
109.02869	0.4
110.03649	8.1
111.04425	11.3
116.51845	0.3
117.06980	0.5
119.04941	3.6
119.08630	0.3
121.02834	6.3
121.06478	1.5
122.03625	0.4
123.04380	1.4
125.05962	11.4
129.06969	2.0
131.04889	2.2
131.08539	0.5
133.02824	4.9
133.06461	0.7
133.10062	0.3
135.04387	0.5
137.05959	6.8
138.03053	0.5
139.03925	0.6
141.06946	0.3
142.08749	0.4
145.06441	1.6
147.04367	2.9
149.02295	2.5
149.05948	2.0
151.03886	0.4
151.07512	4.4
153.05444	19.4
157.06458	1.5
159.08018	1.8
161.05902	3.1
161.09607	1.3
162.06776	1.4
163.07494	2.3
165.05505	0.9
165.07016	1.8
166.13188	0.4
167.07048	3.6
167.08336	0.6
173.05904	0.6
174.06685	0.6
175.07518	3.2
177.05464	1.4
177.09114	0.5
178.07658	0.8
179.07069	0.8
181.04900	2.7
181.06488	1.5
181.08540	2.0
182.07224	0.7
184.05157	0.9
187.07489	1.4
188.08354	0.6
189.09044	3.0
191.06935	1.4
191.08493	0.4
193.06473	0.5
193.10088	0.6
194.07143	0.5
195.08031	2.1
197.05904	0.6
197.09583	0.5
199.07472	0.5
201.09102	0.5
203.08609	0.5
205.06543	0.7
206.07217	0.7
207.08011	1.4
208.08925	0.8
209.09682	0.6
210.06766	2.2
211.07529	3.2
212.08261	0.7
213.09111	1.4
217.06409	0.4
217.08389	0.5
219.08070	1.6
219.10161	2.2
221.05937	0.8
221.09586	2.1
222.06682	0.8
222.10347	0.8
223.07491	3.3
223.11087	0.7
224.08286	1.6
225.05376	0.5
225.09015	2.6
226.06084	0.5
227.06943	2.0
227.10625	1.5
234.06702	1.9
235.07481	2.4
236.08334	0.6
237.09094	3.3
238.06233	2.0
238.09732	3.1
239.07002	3.2
239.10574	2.4
240.07774	8.6
241.08507	2.4
246.06880	0.4
247.07545	0.7
248.08305	0.8
249.05458	0.7
249.08981	4.1
249.11197	0.9
250.09789	0.6
251.06947	2.1
251.10652	1.5
252.07774	3.8
253.08530	16.4
253.12196	6.2
254.09312	3.7
254.12466	0.4
255.06499	1.8
255.10168	5.7
257.08054	2.6
261.09183	0.5
263.07080	0.8
265.08548	2.9
266.06619	0.6
266.09277	5.0
267.06384	1.6
267.10098	4.2
268.07257	2.2
269.08026	3.3
269.11542	0.7
270.08835	3.5
270.12231	0.6
271.13223	0.7
277.08630	3.1
278.09180	0.8
279.06540	0.4
279.10065	1.9
281.08032	4.6
281.11667	7.0
282.08759	2.2
283.06415	0.7
283.09570	9.1
283.12802	0.8
284.10336	4.1
285.07571	1.5
285.11191	3.8
285.14841	1.7
291.09805	0.6
294.08902	1.4
295.09509	5.3
296.10541	1.3
297.11133	1.6
298.08600	0.5
298.12000	2.7
299.09219	1.0
299.12595	7.5
300.09933	2.0
303.15942	1.3
309.11200	8.0
310.11945	3.4
311.09418	0.7
311.12686	0.9
312.09778	1.5
313.10638	13.0
313.14282	5.7
316.13269	0.4
316.98029	0.4
326.11353	1.6
327.12201	29.8
328.12921	3.4
329.13907	2.6
331.15363	5.1
339.12222	2.4
339.15729	0.4
341.13760	4.9
343.15137	1.4
344.12241	0.4
345.16879	0.6
357.13358	0.5
359.14807	100.0
360.15256	2.8
361.16608	2.5
371.14780	9.5
388.82806	0.4
389.15894	8.0
491.20496	0.6
509.21786	2.8
521.21399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.53
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81921	2.4
55.05510	30.1
56.62458	1.9
57.03427	20.3
57.07067	3.7
61.02911	3.1
66.13242	2.0
67.05149	3.5
67.05495	100.0
69.07057	23.7
69.32259	1.9
71.04964	2.6
75.28804	2.3
79.05059	3.8
79.05479	68.6
81.06599	4.0
81.07042	85.6
83.08596	15.2
85.02871	3.3
86.09680	11.5
91.05453	41.3
92.08643	5.6
92.09270	10.5
93.07021	90.2
95.04936	11.0
95.08587	78.5
97.06516	3.7
97.10136	2.7
98.01874	2.2
105.07018	26.4
107.08563	34.9
109.06438	2.9
109.10166	25.4
112.04336	2.3
117.06979	13.5
119.08533	20.7
121.10135	36.0
123.11687	3.8
124.99973	3.1
131.08516	20.4
133.10101	18.7
135.11690	19.4
143.08513	3.6
145.10086	14.2
147.11664	18.9
149.13252	9.9
159.11679	5.9
161.13272	3.6
171.11670	3.2
173.13152	5.5
184.07272	20.5
186.13922	2.6
187.14792	2.6
215.17946	13.2
233.18948	2.4
261.21985	3.5
266.57071	2.5
285.29160	2.7
307.22589	37.0
309.24237	2.7
335.25751	57.3
349.13632	2.8
567.43634	14.6
585.44604	12.9
694.99353	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	765.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53358	0.3
55.01861	0.4
55.05506	2.2
57.03432	3.2
57.07059	1.5
60.08133	0.3
61.02914	9.3
67.05493	6.1
69.03415	4.8
69.07042	2.6
71.04991	0.5
71.08618	0.4
73.02898	5.3
79.05476	4.3
81.03400	5.9
81.07034	7.8
83.04965	0.3
83.08611	1.7
85.72350	0.3
86.09707	2.1
86.75970	0.3
91.03936	3.7
91.05451	4.5
92.08724	0.7
92.09286	0.5
92.64978	0.3
93.07027	5.5
95.04955	2.0
95.08588	5.4
97.02869	6.1
97.06530	0.5
97.10137	0.4
99.04440	1.4
101.02351	2.4
105.07026	3.0
107.04948	0.4
107.08561	3.1
109.02886	1.6
109.06541	0.3
109.10147	1.5
109.33109	0.4
115.03972	0.3
117.07005	0.5
119.08578	2.6
121.10104	3.7
123.11700	0.6
125.00014	0.7
127.03927	2.2
129.05505	0.3
129.07028	0.5
131.08560	2.3
133.10138	1.5
135.11723	0.5
139.11252	0.4
145.10187	0.4
147.11681	1.4
149.09659	1.5
149.13269	0.4
154.53311	0.3
175.11162	0.4
184.07295	4.3
184.08575	0.3
185.04158	0.6
193.12257	0.8
198.77130	0.3
201.02036	0.3
201.03812	0.5
231.23865	0.4
241.06911	0.3
243.08406	1.9
251.12556	0.7
269.13513	3.3
269.27490	0.4
275.05850	0.6
324.23392	0.4
335.25970	1.4
371.16815	0.4
425.17636	0.4
443.18771	4.0
469.20355	2.8
487.21497	4.6
505.38965	4.2
519.29230	10.0
689.09418	0.4
721.41003	1.3
727.64410	0.4
747.42645	3.2
764.43420	0.8
765.43762	100.0
766.43866	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45862	0.3
55.05497	1.8
56.05028	0.3
57.03417	0.4
57.07048	1.6
60.08153	8.5
67.05204	0.2
67.05490	3.1
69.07050	2.8
71.07360	4.0
71.08600	0.5
79.05470	1.5
81.03411	2.1
81.03824	0.3
81.07040	3.2
83.04933	0.3
83.08598	1.4
85.10130	0.4
86.09690	46.2
91.05434	1.1
92.09305	1.3
93.07008	1.3
95.04939	1.2
95.08573	2.3
97.06483	0.3
98.98445	3.3
104.10725	4.1
107.08572	0.4
109.10138	0.4
119.08570	0.4
121.10091	0.5
124.99980	30.9
129.06960	0.4
131.08499	0.5
135.11646	0.3
143.00987	0.4
144.62978	0.3
147.11565	0.3
149.09520	0.3
184.07306	100.0
193.12251	0.6
267.15842	2.1
289.56805	0.3
339.28903	1.3
467.37262	0.4
531.40405	1.8
575.49384	0.3
587.46350	1.3
714.35620	0.5
714.47015	11.9
715.46448	0.5
764.43628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
57.03413	0.3
60.07860	0.4
60.08150	8.3
60.25434	0.3
67.05476	1.4
69.07041	0.6
71.07351	3.4
74.36438	0.3
79.05473	0.5
81.03391	1.4
81.07035	1.4
83.08588	0.7
86.09691	40.3
91.05474	0.5
92.09209	1.8
93.05639	0.3
93.07011	0.4
95.08585	0.7
98.98453	2.7
104.10720	2.1
107.08556	0.5
116.98527	0.3
119.08592	0.6
124.99981	29.0
157.10165	0.5
159.47118	0.3
181.76469	0.4
184.07307	100.0
267.15866	0.7
267.68567	0.4
275.20016	0.3
339.28720	0.8
373.37506	0.4
487.00000	0.4
714.35504	0.5
714.46960	10.7
764.40186	6.5
765.39197	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.5
56.04996	0.5
57.07047	0.5
58.06557	0.3
60.08147	9.7
62.70008	0.3
67.05460	1.3
68.54519	0.2
69.07024	0.3
69.42342	0.3
71.07008	0.2
71.07355	4.9
79.05455	0.4
81.06998	1.3
82.49234	0.3
83.08587	0.5
86.09682	51.5
91.05408	0.4
92.08893	1.9
93.06997	0.3
94.05298	0.3
95.08556	1.1
96.08878	0.3
97.10153	0.4
97.28328	0.3
97.38769	0.3
97.87009	0.2
98.98447	4.7
104.10706	2.7
105.06972	0.4
109.10071	0.4
116.99419	0.4
117.06931	0.3
119.08562	0.3
124.99968	34.5
167.97652	0.3
176.50414	0.3
184.07292	100.0
380.72717	0.3
389.76297	0.3
475.45670	0.3
477.55682	0.3
550.99646	0.4
574.48938	1.2
575.49664	1.2
595.65936	0.4
757.52686	0.4
764.50555	14.4
765.51611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
55.05492	0.3
56.08376	0.3
57.03431	0.4
61.02924	0.4
65.03928	2.0
66.04707	0.5
67.05493	1.7
68.13908	0.3
69.03410	1.6
73.74118	0.4
75.04454	0.4
79.05463	3.2
81.03400	2.9
81.07011	0.6
83.04958	0.4
85.02880	3.7
91.05462	5.9
92.08781	0.9
92.09289	0.5
93.03379	0.7
93.07027	0.6
94.04155	0.7
95.04941	4.7
97.02870	1.4
97.06505	0.5
102.04636	0.4
103.05447	26.2
105.03356	3.1
105.07018	4.6
106.04216	0.5
106.62680	0.3
107.04930	4.2
108.02082	0.6
109.02831	0.5
109.06501	2.2
111.04413	1.7
115.05434	5.7
117.07007	5.4
118.04135	4.8
119.04916	7.7
119.08578	0.8
121.06478	2.9
122.03626	4.5
123.04420	3.3
124.05163	0.7
124.74012	0.3
125.05959	3.5
127.03896	0.5
128.06218	0.5
129.06995	2.4
130.04137	1.6
131.04900	47.1
132.05679	1.5
133.02824	6.1
133.06454	4.6
135.04433	0.5
135.08000	2.6
137.05951	100.0
141.05450	2.2
141.06990	0.4
143.04942	3.1
143.05861	0.4
144.05717	0.8
145.06467	6.5
145.10052	0.4
146.03595	1.5
147.04384	8.7
147.08034	2.0
148.05164	13.5
149.02246	0.4
149.05943	3.2
151.03882	91.5
151.04961	6.2
151.07535	1.9
152.04570	0.7
153.05418	3.7
154.44945	0.3
155.07060	0.5
157.06476	2.3
159.04430	0.8
159.08061	1.4
160.05171	3.4
161.05948	6.1
163.07503	32.7
165.05440	5.1
165.06758	0.6
165.09085	0.8
166.07756	0.4
167.07001	9.6
171.04373	1.9
171.06474	1.4
172.05115	0.4
172.91486	0.3
173.05933	5.1
174.06735	1.6
175.07503	10.6
176.04660	4.4
177.05417	4.5
177.09076	0.8
179.06984	5.4
179.08466	1.1
181.04910	24.3
183.06677	0.4
187.07503	4.0
188.08365	0.4
189.05412	2.1
189.07074	0.4
189.09042	3.1
190.06180	1.6
191.06995	92.1
192.07437	0.7
193.04892	1.7
193.08542	1.5
194.07185	0.4
195.06488	1.4
201.05464	0.8
201.09070	0.8
203.06990	7.0
205.06647	0.8
205.08546	4.5
206.07233	0.5
207.06396	0.6
207.08192	0.4
207.10144	1.5
209.07945	3.2
211.07539	0.5
215.06975	0.5
217.06480	0.5
217.08528	1.9
218.07292	0.4
218.09407	0.4
219.06329	0.5
219.08170	0.7
219.10086	2.0
221.05974	0.6
221.07906	1.2
222.06725	0.8
223.07587	0.8
223.09593	1.4
225.09062	0.7
227.06805	0.5
229.75822	0.4
231.06355	0.7
233.05865	0.7
233.07907	4.3
233.09621	0.3
234.06665	0.9
235.07399	1.8
235.09619	3.5
236.08302	0.4
237.09119	2.6
241.08630	0.4
245.08076	0.8
247.07489	0.5
249.09039	1.8
249.11311	0.4
251.06886	0.5
259.09625	1.3
262.06232	0.5
263.06995	1.4
263.09140	16.8
265.08432	2.4
266.09256	0.4
267.06772	0.4
267.10092	1.6
269.08414	0.4
277.08582	2.5
279.06506	0.4
283.09454	0.4
291.10046	0.8
293.07794	0.8
295.09586	2.0
297.11230	0.5
299.08957	0.5
299.12576	0.4
307.09494	1.9
309.11102	2.4
319.09402	0.4
325.10580	1.9
327.12210	2.2
329.13565	3.1
337.10486	2.0
339.12427	0.6
341.13910	0.7
351.11835	1.1
355.11682	9.1
357.13242	0.8
359.14743	1.5
365.13507	0.6
369.13251	5.6
371.14725	0.4
387.14301	49.1
388.14359	0.7
413.15790	0.8
471.00412	0.4
517.18372	2.4
519.20044	0.4
549.20953	1.7
759.89270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.05513	7.9
57.03428	1.8
57.07070	1.4
61.02918	8.3
61.04071	0.6
62.95631	0.7
64.43475	0.7
67.05486	13.0
67.92603	0.7
69.03416	4.2
69.07058	7.5
71.04980	3.6
71.07356	1.0
71.08616	0.8
73.02900	7.1
79.05478	8.7
81.03416	3.5
81.07034	16.1
83.08610	5.0
85.02908	5.9
85.35184	0.8
86.09689	9.4
91.03951	5.3
91.05468	5.1
92.08916	3.3
93.07012	8.9
95.04984	0.8
95.08573	11.8
97.02862	7.2
97.10165	1.5
101.02384	1.5
105.07011	1.9
107.08587	5.7
109.02870	1.0
109.10151	4.5
110.96602	0.9
117.07013	1.1
119.08581	1.6
121.10133	1.9
123.08087	1.1
123.11682	1.5
125.00017	5.0
126.82873	0.8
127.03922	3.2
131.08521	1.5
133.10120	5.2
135.11691	1.1
145.10085	0.8
151.11147	1.1
183.57948	0.8
184.07320	15.0
185.07722	2.9
243.08369	3.9
267.15668	1.6
485.23587	5.4
519.29309	8.4
573.48657	8.2
574.49139	13.1
646.21051	1.0
763.45831	100.0
764.45673	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	764.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59346	0.4
54.81588	0.4
55.01860	3.2
55.05507	0.5
57.03431	0.5
65.03928	3.9
67.05488	2.7
69.03410	2.9
69.07085	0.7
75.04429	0.4
77.03890	0.6
79.05478	3.0
81.03406	5.0
81.07033	1.6
83.04985	0.7
85.02895	5.1
86.06050	0.7
91.05459	5.8
92.08984	2.0
93.03349	1.2
93.07026	0.8
94.04115	0.5
95.01343	0.5
95.04950	5.7
95.08590	0.6
97.02883	2.3
97.06533	0.9
103.05447	26.3
105.03370	8.4
105.06999	4.4
107.04942	6.4
108.02077	1.0
109.02868	1.9
109.06502	2.7
109.10159	0.5
111.04417	2.3
112.01560	0.4
115.05444	4.8
117.07006	4.6
118.04143	5.3
119.04917	8.9
119.08537	0.9
121.06485	2.0
122.03596	5.7
123.04406	4.4
124.05181	0.8
125.05968	3.0
127.03861	1.7
128.06212	0.5
129.06973	2.6
130.04074	0.7
131.04906	49.2
132.05685	0.9
133.02815	5.9
133.06439	5.8
133.10127	0.8
134.03647	0.7
135.04391	0.8
135.08026	3.8
137.05954	98.7
138.06291	0.7
139.07526	0.5
141.05452	2.3
141.06963	0.7
143.04881	2.0
144.05710	0.5
145.06453	7.2
146.03532	0.8
146.07176	0.6
147.04378	9.1
147.08054	1.8
147.11697	0.5
148.05168	12.7
149.05959	3.4
151.03883	98.7
151.04955	5.8
151.07480	2.4
152.04567	0.7
153.05424	3.9
157.06461	3.1
159.04460	0.6
159.08014	0.6
160.05191	3.5
161.05936	6.9
162.06665	1.1
163.07503	33.9
165.05452	4.2
165.09085	1.8
167.06998	11.8
171.04434	1.9
171.06526	0.9
173.05937	7.0
174.06711	0.8
175.07521	12.0
176.04675	3.7
177.05440	4.9
177.09070	1.7
179.06995	4.6
179.08395	0.9
181.04919	30.6
184.05246	0.5
187.07520	6.0
189.05458	2.6
189.09065	3.4
190.06187	1.0
191.06999	100.0
192.07443	1.8
193.04851	1.5
193.08539	2.0
195.06377	0.8
195.07996	0.7
199.07500	0.6
201.05469	1.0
201.09042	1.6
203.06967	7.1
205.06496	2.1
205.08572	4.6
207.06392	0.8
207.08194	1.0
207.10188	2.0
209.08049	2.0
215.07014	0.8
217.06619	0.5
217.08524	2.5
219.08134	0.7
219.10130	1.0
221.07944	0.6
222.06750	0.5
223.07455	0.5
223.09505	0.9
227.07001	0.5
231.06392	0.6
233.05939	0.8
233.07904	3.1
234.06656	0.9
235.07516	1.5
235.09613	3.2
237.08937	3.0
239.10669	0.5
240.23651	0.5
246.06610	0.5
247.07498	0.5
249.09184	1.7
250.06235	0.5
253.08473	1.0
259.09460	0.5
263.09128	17.1
265.08426	3.2
266.09320	0.7
267.08429	0.5
269.11700	0.8
277.08569	2.3
283.09598	0.8
293.07919	0.6
295.09464	1.7
297.11176	1.0
299.09091	0.5
299.12646	0.7
305.08151	0.7
307.09515	0.8
309.11130	2.5
323.09076	0.5
325.10501	0.8
327.12119	3.0
329.13754	2.7
337.10672	1.9
341.13684	0.8
351.12354	0.7
353.13754	0.6
355.11688	7.6
357.13434	0.8
359.14929	2.3
365.13608	0.5
367.29770	0.5
369.13312	4.3
383.14316	0.5
387.14304	53.9
388.14734	0.9
413.15558	0.7
466.67862	0.5
499.78079	0.5
517.18304	2.0
549.20496	1.8
572.01526	0.5
636.31903	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
55.01853	0.3
55.02753	0.2
55.05477	1.5
56.05002	0.5
57.03397	1.7
60.08151	8.3
61.02908	2.9
61.08456	0.3
63.08203	0.2
66.59404	0.2
67.05492	4.6
69.03416	2.4
69.07024	1.6
71.04937	0.3
71.07359	4.7
73.02904	2.1
79.05473	3.2
81.03393	2.5
81.07038	3.6
83.04936	0.7
83.08572	0.5
85.02891	2.5
85.06535	0.3
86.09686	46.3
87.10012	4.9
90.55361	0.3
91.03898	1.6
91.05431	1.7
92.09013	2.2
93.07018	2.8
95.04916	1.1
95.08579	2.9
97.02869	2.8
98.98447	4.0
99.04433	0.3
101.02325	1.1
104.10714	3.2
105.06986	0.7
107.04879	0.4
107.08575	2.2
109.02847	0.5
109.06532	0.3
109.10104	1.4
117.06989	0.4
119.08521	1.2
121.10082	1.6
124.99976	35.1
126.00288	1.2
127.03870	0.4
129.22182	0.3
131.08508	0.5
133.10117	0.4
135.11627	0.7
143.01060	0.4
145.10139	0.6
147.11641	0.4
163.11145	1.0
184.07298	100.0
185.04224	0.4
185.07652	10.5
193.12216	0.3
199.70982	0.3
203.05223	0.5
243.08411	1.2
267.11646	0.3
267.16010	0.4
268.16269	0.4
293.68582	0.3
335.25748	0.5
337.27298	0.4
411.19562	0.4
467.18878	1.9
485.19943	1.3
496.69131	0.3
519.29034	2.8
530.39447	0.5
689.43127	0.3
712.45428	5.5
713.34088	0.6
713.45508	7.8
745.40778	2.1
763.41931	50.4
764.41486	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	763.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.6
55.05498	5.9
57.03426	2.2
57.07047	1.6
61.02917	8.7
67.05491	11.4
69.03435	4.4
69.07058	6.0
70.80416	1.0
71.01382	1.3
73.02917	5.3
79.05473	7.8
81.03413	8.2
81.07037	12.9
83.04959	1.6
83.08601	2.3
85.02901	7.1
86.09688	5.4
91.03967	5.2
91.05473	6.2
92.08568	2.2
92.09192	7.8
93.07031	8.2
95.04971	3.0
95.08571	5.9
97.02885	6.7
97.06504	1.5
97.10160	1.9
99.04434	2.0
101.02394	1.1
105.03384	4.4
105.07032	4.9
107.08569	5.9
109.10126	2.5
113.23505	1.3
117.07085	1.2
119.08578	5.1
121.10156	2.4
124.99993	1.8
127.07582	1.3
131.08548	1.6
132.74138	1.2
135.14630	1.2
149.06027	1.9
184.07379	7.5
201.03642	1.3
243.08415	4.8
267.15750	1.8
285.09921	2.4
301.08868	10.6
304.77411	1.4
315.10547	2.6
315.92206	1.7
335.25864	1.5
357.15210	1.4
357.43472	1.4
371.16855	2.0
373.11136	2.6
385.18488	4.5
429.17215	2.5
447.50272	1.4
509.23975	1.7
519.29138	12.9
573.48615	2.7
574.49597	2.1
578.30530	6.3
584.75934	1.5
591.31299	5.5
662.39734	2.6
738.02893	1.4
745.40863	2.3
762.38885	1.8
763.41876	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	763.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
53.89196	0.3
55.01864	1.4
55.05507	3.0
55.05719	0.4
57.03431	3.4
59.14398	0.3
61.02913	8.6
67.05492	8.5
69.03415	4.6
69.07056	2.7
71.04977	1.3
72.22900	0.4
73.02898	5.1
79.05464	5.8
81.03404	3.5
81.07035	8.0
81.07472	0.5
83.04970	1.4
83.08627	1.6
85.02888	7.7
85.03352	0.4
86.09680	0.5
87.04456	0.5
91.03941	4.1
91.05461	3.4
92.09022	2.1
93.07024	7.1
95.04948	1.9
95.08585	4.6
97.02869	8.3
97.06537	0.6
99.04433	1.6
101.02364	2.6
105.07018	2.6
107.08587	3.4
109.10162	2.8
111.04440	1.4
111.08077	0.4
115.02996	0.3
115.03953	0.4
117.06985	0.7
119.08576	2.1
121.10115	3.6
123.11671	0.5
127.03909	2.3
131.08525	0.9
133.10161	0.9
134.14615	0.3
135.11707	1.4
145.04987	0.4
145.10106	0.7
147.11685	0.8
153.12700	0.6
163.11182	1.8
173.58075	0.4
181.12262	0.4
184.07315	1.8
185.04195	0.7
191.10648	0.6
203.05360	0.4
227.12979	0.4
243.08424	2.4
260.74182	0.4
267.11963	7.8
323.14713	0.8
323.51398	0.4
335.25797	1.3
360.60806	0.4
441.17313	0.4
470.15878	0.4
485.19763	5.0
519.29193	8.3
601.36829	0.8
763.42188	100.0
764.42407	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	763.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.3
57.03440	3.3
61.02924	4.0
67.05493	4.1
69.03426	4.2
69.47436	0.7
73.02908	5.3
76.55355	0.8
79.05504	6.3
81.03411	4.2
81.07058	4.3
83.04980	1.3
83.08604	1.2
85.02888	6.3
86.09669	0.9
91.03977	1.2
91.05473	5.1
92.08719	1.1
92.09216	1.4
93.07049	3.9
95.04951	1.8
95.08595	3.7
97.02871	6.0
101.02357	0.9
105.07040	2.0
107.04969	1.2
107.08600	4.0
109.10155	1.1
110.52547	0.7
119.08590	4.0
127.03913	1.4
129.92799	0.9
131.08565	3.5
133.10129	2.0
134.36882	0.9
147.11690	1.7
157.10098	1.0
184.07368	4.6
193.12239	1.3
203.05188	0.9
213.28259	1.0
243.08502	1.6
251.12595	1.1
301.09125	1.9
320.44125	1.0
469.20313	11.3
535.28815	4.5
743.35815	0.9
763.42267	100.0
764.42554	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.05510	7.3
57.03426	5.8
57.07075	2.2
61.02925	9.8
62.77988	1.1
67.05495	17.5
69.03423	7.3
69.07053	6.1
69.63166	1.0
73.02909	6.6
75.52614	1.2
79.05476	12.3
81.03418	5.2
81.07037	17.6
83.04996	2.6
83.08625	3.0
85.02891	10.9
86.09711	2.8
91.03970	5.0
91.05477	8.5
92.08682	4.9
92.09308	6.2
93.06992	9.0
95.08576	9.9
97.02871	9.4
97.10175	2.2
99.04451	1.5
101.02361	2.0
102.09148	1.3
105.07029	2.3
107.08582	6.5
109.06517	1.6
109.10162	6.9
111.04459	1.9
117.07086	2.0
119.08608	2.4
121.10172	2.1
127.03951	1.6
133.10129	2.1
145.57294	1.2
163.11079	1.7
184.07344	7.5
185.04181	1.3
197.89525	1.3
243.11507	1.9
267.15921	2.0
301.08911	2.7
335.25800	1.9
413.17868	1.3
485.19791	2.8
519.29242	16.8
573.48712	3.1
691.40619	7.9
705.41608	3.1
713.34686	2.2
719.43140	2.2
745.40399	4.4
763.42157	100.0
764.42267	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	763.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
57.07076	1.1
65.33583	0.9
67.05493	4.7
79.05443	1.2
80.87775	1.0
81.03435	1.1
81.07054	4.5
83.08616	1.7
85.02844	0.8
86.09694	7.2
87.22444	0.9
91.05475	1.6
92.08780	2.2
92.09315	1.9
93.07024	1.7
95.08602	4.1
104.34190	1.0
105.07061	1.3
107.08591	1.5
121.10088	1.2
125.00008	5.5
184.07304	11.9
203.31479	1.4
227.24219	1.1
235.33058	1.1
304.45145	1.1
381.17224	1.0
573.48523	1.7
574.49207	5.4
704.41089	1.7
717.41602	1.6
763.40155	100.0
764.40588	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	763.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
54.82210	0.6
55.05501	1.2
57.03415	2.9
61.02914	6.3
67.05482	4.6
68.72975	0.5
69.03410	3.8
69.07049	1.0
70.09085	0.6
73.02891	4.1
76.57102	0.8
79.05478	5.2
81.03392	1.5
81.07047	5.0
85.02901	5.0
86.09701	1.3
89.02346	0.6
89.82526	0.7
91.03942	3.3
91.05457	6.2
92.08741	1.3
93.07015	6.0
95.04951	1.5
95.08588	3.5
97.02862	4.8
97.10188	0.7
101.02348	2.6
105.07005	3.9
107.08588	1.1
117.06965	1.3
119.08570	3.7
121.10093	0.9
121.32517	0.6
123.73001	0.6
124.99978	1.5
127.03909	3.0
129.06966	0.9
131.08545	0.8
133.10100	1.4
135.11716	0.8
145.10164	1.2
147.11688	2.5
157.10123	0.8
161.13202	0.6
162.56993	0.7
170.15941	0.7
172.46516	0.6
184.07283	6.2
185.07602	0.7
196.40007	0.6
239.67365	0.6
243.08282	4.5
251.12456	1.1
252.65308	0.7
301.08960	1.1
350.57275	0.8
469.20291	6.6
535.28540	6.9
541.22662	1.1
763.42169	100.0
764.42413	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.4
53.03928	0.6
55.01839	0.9
55.05477	1.9
56.05008	0.4
57.03431	2.7
57.07043	0.3
60.08152	7.7
61.02913	7.4
61.08463	0.4
67.05490	7.3
69.03409	3.8
69.07059	2.5
71.04965	0.7
71.07353	3.6
73.02894	5.1
78.30524	0.3
79.05470	5.7
81.03406	3.1
81.07040	7.1
81.34187	0.3
83.04968	0.8
83.08578	0.4
85.02889	5.9
86.09687	41.9
87.04396	0.5
87.10003	4.3
91.03935	3.9
91.05450	3.0
92.08737	1.1
93.07014	5.9
95.04904	0.7
95.08578	4.6
97.02863	6.7
97.06494	0.7
98.98440	3.8
99.04425	0.8
101.02350	2.5
104.10712	3.6
105.06961	1.6
107.04932	0.6
107.08567	2.9
109.02853	0.7
109.10136	2.5
111.04394	1.6
111.08054	0.5
117.06962	0.6
119.08528	1.6
121.10072	2.2
124.99976	33.1
126.00311	0.7
127.03872	2.3
131.08525	1.5
131.29132	0.3
132.85573	0.3
133.10081	0.6
135.11714	2.5
137.09560	0.5
145.10075	1.5
149.13197	0.6
153.12657	0.7
163.11104	2.1
173.09627	0.4
181.12172	1.6
184.07295	100.0
185.04146	0.8
185.07634	8.9
191.10634	2.0
227.12714	0.6
243.08389	2.4
249.10910	0.6
259.07843	0.5
267.11923	5.4
323.14648	1.9
335.25616	0.7
467.18854	3.0
485.19830	8.4
514.71997	0.4
519.29083	6.5
574.48767	0.5
580.67621	0.4
712.45398	3.5
713.33911	0.7
713.45569	7.3
745.40790	4.1
762.41022	2.9
763.42157	95.9
764.42505	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82233	0.6
55.05491	0.9
56.21147	0.6
57.07044	0.6
59.36618	0.6
60.08147	6.9
61.02909	0.8
67.05486	3.7
68.13057	0.5
69.07051	1.1
71.07349	3.5
73.02905	0.9
73.12504	0.6
81.03399	1.5
81.07034	3.0
83.08611	1.1
86.09160	1.2
86.09689	35.4
87.10029	1.6
91.05463	1.2
92.09060	1.3
93.07014	1.6
94.61038	0.6
95.08584	1.5
98.98440	3.8
104.10722	1.0
105.03368	1.4
105.07012	1.2
107.08614	0.9
109.10118	0.8
119.08583	0.9
124.99975	26.0
135.11674	0.6
139.13162	0.6
152.02254	0.6
156.98701	0.6
184.07306	80.7
185.07648	7.8
208.74805	0.7
285.10071	0.7
301.75174	0.8
493.12347	0.9
712.45593	4.1
713.46094	6.1
763.40216	100.0
764.40826	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17572	1.0
55.05500	1.2
60.89816	0.9
67.05504	1.4
68.39384	1.1
78.81358	0.9
81.07075	1.3
86.09705	4.7
92.08745	4.0
92.09332	2.5
92.63933	1.4
95.08582	1.5
109.10158	1.3
119.08577	1.3
184.07355	7.5
274.87988	1.0
436.14206	1.3
636.39496	1.2
762.38507	3.8
763.40051	100.0
764.39850	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
55.27288	0.5
57.03428	0.6
60.08162	5.2
60.69708	0.4
61.02920	0.8
61.07786	0.5
62.04760	0.5
67.05492	4.6
69.07055	1.3
69.56064	0.5
71.07359	2.5
79.05472	2.4
80.38274	0.5
81.03413	3.6
81.07052	3.8
82.33712	0.5
83.08616	0.9
84.29134	0.5
85.02900	1.1
86.09689	25.9
87.10027	0.7
91.03934	1.0
91.05465	2.6
92.09009	4.1
93.07037	1.3
95.04967	1.2
95.08593	3.0
98.98460	2.1
104.10744	0.9
107.08621	1.0
109.10142	1.3
116.53037	0.5
121.10148	0.7
122.90417	0.6
124.99979	20.5
125.00865	0.7
154.04947	0.6
184.07303	58.9
185.07671	5.7
214.40945	0.8
242.33975	0.6
265.09833	0.6
278.70624	0.5
400.96570	0.5
467.18948	0.6
467.34927	1.3
519.29590	1.1
573.48242	0.8
673.42847	0.7
712.45544	4.1
713.34491	0.8
713.45966	4.0
763.40369	100.0
764.40619	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	763.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
53.36354	0.7
59.96840	0.8
67.09513	0.8
71.04971	1.0
79.05447	1.0
81.03402	6.4
81.07055	1.3
86.09676	1.4
91.05460	6.2
93.07028	1.4
95.04937	1.0
95.08584	1.0
97.02895	1.3
99.04453	3.8
105.03429	1.2
105.07031	1.6
108.51897	0.9
109.02870	9.3
109.10147	1.1
109.15108	0.9
119.04913	16.1
119.08582	1.4
123.04390	1.0
125.00014	1.1
127.03895	8.6
130.92181	1.1
142.15929	0.9
147.04381	55.5
169.02571	9.6
169.04961	5.1
184.07314	1.9
191.03143	11.4
251.05301	5.2
329.08383	1.4
350.86755	1.1
355.08057	1.0
415.10162	1.4
450.85828	1.0
457.10910	2.0
475.11887	8.4
763.20386	100.0
764.20984	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
67.01859	2.0
68.44802	0.3
69.03405	0.5
69.07039	0.4
71.04974	0.7
80.44835	0.4
81.03403	8.6
81.07058	0.4
85.02913	0.7
91.05459	5.8
92.08727	0.9
92.09279	0.8
95.08607	0.6
97.02906	1.4
99.04455	0.7
105.07018	0.7
107.08608	0.4
109.02863	10.1
119.04920	13.3
127.03900	11.0
130.57507	0.4
133.10143	0.6
147.04390	53.9
148.04770	1.9
149.05075	0.3
169.02689	0.7
169.04970	1.8
191.03111	6.8
209.04140	0.6
210.26828	0.4
251.05174	3.8
273.07593	0.5
311.07492	2.4
332.33139	0.4
371.09442	3.3
373.08969	0.5
386.75693	0.4
405.43665	0.4
415.09918	6.3
433.11136	1.5
473.00500	0.4
495.98892	0.4
498.03308	0.4
515.69983	0.4
703.17786	2.7
763.20422	100.0
764.20868	0.9
793.74744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44345	0.8
65.84924	0.7
81.03400	2.0
83.01101	1.1
84.60925	1.0
91.05484	4.8
92.08816	5.0
95.34357	0.8
99.04456	1.1
103.16766	0.9
105.77888	0.8
109.02865	11.6
110.03260	1.0
119.04920	16.5
120.93063	0.8
127.03939	1.5
144.75003	0.9
147.04390	71.6
148.04768	3.2
169.02560	7.0
169.04990	5.3
191.03218	5.7
209.04192	4.8
216.08084	0.9
229.04735	1.0
251.05203	11.3
269.06393	5.9
307.83267	1.0
311.07471	5.4
329.08374	11.3
355.08212	1.7
415.09570	7.2
457.11194	2.1
475.12006	95.1
476.12631	1.3
763.20435	100.0
764.20172	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81005	0.3
55.05490	0.6
56.05016	0.3
57.03413	0.5
60.07862	0.4
60.08147	7.9
67.05474	1.9
69.07042	0.4
71.07352	3.9
79.05466	0.7
79.56149	0.3
81.03368	1.5
81.07021	2.5
83.08585	0.5
86.09688	43.4
91.05469	0.7
92.08595	0.6
92.09226	1.8
93.07003	1.4
95.04932	0.5
95.08585	1.5
98.98422	2.8
102.63387	0.3
104.10722	3.0
105.06986	0.5
107.08566	0.7
119.08576	0.5
121.10116	0.3
124.99976	29.1
131.08574	0.3
133.10088	0.4
144.15724	0.4
145.10146	0.3
161.38684	0.3
184.07300	100.0
192.83176	0.3
203.59982	0.4
246.35988	0.3
267.15906	0.4
337.27164	0.6
422.91171	0.4
529.38727	0.6
547.40033	0.5
712.32935	0.6
712.45215	13.8
763.40320	12.0
782.59320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.9
56.05033	0.3
57.07064	0.5
58.06581	0.3
60.07864	0.3
60.08155	8.7
67.05504	2.3
69.07037	1.8
71.07359	4.2
79.05465	0.6
81.07033	2.3
83.08614	1.2
86.09690	46.7
91.05444	0.4
92.08811	1.1
92.09304	0.4
93.07000	0.5
95.08561	1.8
97.10121	0.6
98.98456	4.1
104.10734	2.9
105.06995	0.4
107.08569	0.5
109.10142	0.7
121.10159	0.4
124.99982	35.5
137.11520	0.3
165.36621	0.3
184.07306	100.0
248.34067	0.3
335.53131	0.3
573.48944	4.3
762.34882	0.4
762.48785	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	762.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	1.0
53.03921	1.2
55.05505	20.3
57.03407	1.4
57.07066	11.5
67.05494	27.7
69.06673	1.2
69.07052	28.6
71.08617	7.5
72.25829	1.2
79.05466	11.5
81.07032	25.5
83.08605	18.2
85.10165	2.2
91.05426	8.7
93.07014	13.2
95.08582	21.4
97.10150	12.5
105.07017	6.4
107.08601	4.9
109.10122	7.0
111.11720	1.9
119.08593	4.4
121.10117	5.7
123.11681	4.2
133.10081	1.7
135.11649	2.3
150.98412	1.2
163.14726	1.0
208.31158	1.2
215.96851	1.0
311.25772	1.1
337.70486	1.1
572.47778	7.3
573.48633	100.0
652.99219	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43369	0.2
55.05494	1.2
56.05017	0.3
57.03416	0.3
57.07063	0.3
60.08146	8.8
61.02918	0.2
64.42698	0.2
67.05487	2.4
69.03393	0.2
69.07054	0.9
71.07352	4.3
71.08582	0.2
73.02927	0.3
79.05457	1.3
81.03392	1.2
81.07021	1.7
83.04987	0.3
83.08607	0.5
86.09683	48.0
88.99527	0.2
91.05449	0.9
93.07008	1.2
95.04963	0.5
95.08572	1.1
98.98440	3.7
104.10738	2.4
105.07027	1.1
107.08586	0.5
109.10122	0.9
119.08528	0.5
121.10101	0.4
124.99969	31.9
129.72173	0.2
131.08548	0.5
133.10104	0.3
135.11627	0.3
143.01025	0.5
146.98132	1.0
183.34819	0.2
184.07292	100.0
185.07602	0.4
187.57846	0.2
256.09995	0.2
267.15823	0.3
299.65182	0.2
337.27090	0.4
489.35202	1.0
529.38446	0.3
547.38672	0.3
573.48108	1.5
613.34070	1.3
672.41504	1.1
687.74585	0.3
696.68274	0.3
712.45331	11.6
712.57446	0.5
762.40887	2.4
763.42554	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	762.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81271	0.1
55.01852	0.2
57.03407	0.2
61.02900	0.2
67.05496	0.3
69.03402	0.9
69.07057	0.1
70.06558	0.1
73.02884	0.1
79.05470	0.2
81.03391	0.5
81.07015	0.1
85.02880	1.9
87.04428	0.1
91.05460	1.3
93.07007	0.2
95.04967	0.1
97.02867	1.1
103.05446	0.2
105.03370	0.7
105.07020	0.7
107.04928	1.2
109.02853	0.4
109.06469	0.1
115.05418	0.9
116.06216	0.5
117.06991	0.9
119.04899	0.4
119.08631	0.1
121.06438	0.2
121.10082	0.1
123.04395	0.2
123.99855	0.1
124.05209	0.1
127.03862	0.5
128.06189	2.0
129.06973	6.1
130.07742	0.2
131.04892	0.6
131.08536	8.2
132.05663	0.4
133.04973	0.1
133.06464	1.4
133.10115	0.8
135.08018	0.1
136.06172	0.8
137.05954	0.1
137.09579	0.1
139.05344	0.1
141.06966	2.1
142.07732	0.6
143.04872	0.2
143.08533	1.8
144.05650	2.6
144.06670	0.1
145.06474	2.1
145.10059	0.1
146.07216	1.2
147.04395	0.9
147.08034	0.3
149.05946	0.1
152.06134	0.1
153.05746	0.1
153.06927	0.9
155.04877	0.1
155.06046	0.4
156.05629	0.5
157.06464	3.7
158.07243	0.8
159.08015	16.2
160.05188	0.2
160.08566	0.1
161.05954	1.0
161.09576	3.5
167.04851	0.2
167.06984	2.3
169.06416	0.6
169.07593	1.2
170.07220	2.6
171.07985	3.3
171.09344	0.2
172.05136	1.0
173.05939	1.8
173.09624	0.2
174.06718	0.9
175.07516	1.0
176.21564	0.1
177.05481	0.3
178.06213	0.4
179.06992	0.1
181.04958	0.1
181.06348	0.1
181.08669	0.2
184.05212	0.1
185.05891	0.2
186.06715	0.3
187.07492	11.3
188.08243	0.8
189.05428	0.6
189.09055	5.4
190.06181	0.6
191.06989	0.7
192.07761	0.5
193.08528	0.6
198.06726	1.1
199.07503	1.8
201.05447	0.6
201.09033	0.2
203.07004	2.2
204.07771	7.0
205.08539	1.1
206.09297	0.8
207.10109	0.5
207.13737	0.1
216.07776	2.3
217.08539	0.9
218.09369	0.9
219.10112	3.0
221.08160	0.8
221.11620	1.7
225.14789	0.1
231.10121	4.5
233.11694	0.6
234.08804	0.6
237.11217	0.6
249.11153	100.0
250.11508	1.1
251.12619	0.8
267.09290	0.2
267.12201	5.5
385.16440	0.1
425.84927	0.1
487.35355	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	762.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.1
56.64513	0.1
57.03412	0.2
61.02897	0.1
64.14444	0.1
65.11613	0.1
67.05486	0.1
69.03402	0.9
69.33885	0.1
70.06557	0.1
70.22285	0.1
73.02911	0.1
79.05473	0.2
79.84341	0.1
81.03412	0.2
85.02409	0.2
85.02883	2.1
86.09717	0.1
91.05449	1.3
92.09258	0.3
92.46388	0.1
97.02856	0.8
103.05458	0.2
105.03381	0.5
105.07021	0.9
107.04945	1.2
109.02855	0.2
115.05426	0.8
116.06179	0.2
117.07014	0.7
121.06477	0.2
125.05987	0.1
127.02314	0.1
127.03931	0.2
128.06201	1.6
129.06976	5.9
130.07736	0.2
131.04881	0.5
131.08539	8.4
133.04930	0.1
133.06490	1.2
133.10086	0.7
136.06134	0.4
141.06950	2.3
142.07774	0.7
143.08531	1.8
144.05673	2.8
145.04953	0.1
145.05214	0.1
145.06465	2.3
146.07263	1.1
147.04390	0.8
147.07973	0.1
152.06186	0.2
153.06990	1.1
155.06038	0.2
156.05640	0.3
157.06456	3.7
157.07634	0.2
158.07248	0.6
159.08018	14.3
161.05954	0.7
161.09564	3.8
167.07008	2.3
169.06401	0.5
169.07582	1.2
170.07220	2.4
171.07986	3.2
171.09209	0.2
172.05128	1.0
173.05940	1.7
173.09592	0.2
174.06706	0.9
175.07541	1.3
177.05356	0.1
178.06177	0.7
181.08685	0.2
185.05956	0.5
186.06718	0.1
187.07501	11.4
188.08224	0.7
189.05453	0.5
189.09076	5.8
189.10783	0.2
190.06235	0.5
191.06998	0.7
192.07819	0.5
193.08542	0.5
198.06715	1.0
199.07524	1.8
201.05428	0.5
201.09007	0.2
203.06996	1.7
204.07779	6.6
205.08492	1.2
206.09380	0.7
207.10153	0.3
216.07779	2.0
217.08545	0.6
218.09372	0.6
219.10127	2.9
221.08063	0.5
221.11679	1.8
231.10120	3.4
231.15379	0.1
233.11711	0.5
234.08826	0.6
237.11238	0.2
249.11160	100.0
250.11485	1.5
251.12694	1.0
261.90759	0.1
267.12207	5.2
314.30234	0.1
328.53510	0.1
344.14603	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	761.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01865	0.5
55.05501	5.4
57.03430	5.3
59.81017	0.5
61.02916	8.9
63.10626	0.4
67.05489	13.7
69.03421	4.9
69.07053	4.6
71.04987	1.1
73.02891	4.0
79.05473	8.8
81.03401	7.7
81.07037	13.1
81.07477	0.7
82.07382	0.8
83.04977	1.0
83.08613	2.7
85.02878	5.4
86.09693	2.0
87.04455	0.4
91.03930	4.8
91.05458	6.1
92.08916	0.6
93.07018	10.4
93.07553	0.5
95.04954	2.8
95.08587	10.8
96.29553	0.6
97.02860	7.0
97.06507	0.5
97.10152	1.9
98.97581	2.5
99.00773	0.7
101.02374	2.1
105.06998	5.6
106.07365	0.5
107.04973	0.6
107.08575	4.6
108.08915	0.6
109.02906	1.0
109.06492	1.1
109.10165	3.2
111.04449	0.6
116.98619	2.8
117.07018	1.1
119.08537	4.8
120.08902	0.6
121.10110	4.6
122.10471	0.5
123.11680	0.6
124.99969	1.1
127.03903	0.7
131.08571	2.9
133.10141	3.1
134.99695	2.1
135.11728	2.5
143.08574	0.8
145.04988	0.6
145.10097	0.8
147.11687	1.2
149.01268	0.6
157.10124	0.7
159.11613	0.8
161.09607	0.8
161.13197	0.6
173.01192	0.8
173.13132	0.7
177.00726	1.2
179.10674	0.6
184.07281	4.3
189.16438	0.6
191.02307	0.9
193.12241	0.7
201.00798	0.9
216.27493	0.5
219.01636	4.6
242.31567	0.6
243.08408	0.9
247.20584	0.5
261.02872	2.9
261.22156	0.6
265.10474	0.6
267.15872	3.4
268.16263	0.7
279.03537	0.6
285.16620	0.6
321.24423	2.0
322.24725	0.8
335.25812	2.8
483.18423	3.5
514.36047	2.0
519.29224	6.7
531.36475	0.7
532.37231	0.8
545.38318	0.6
546.38989	0.8
571.47815	0.7
572.47418	1.1
761.40643	100.0
762.41089	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	761.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01843	0.9
55.05507	1.5
57.03420	1.7
58.23418	0.6
60.45127	0.6
61.02913	5.4
61.37382	0.7
67.05489	4.3
69.03412	4.5
69.07050	5.1
69.08569	0.6
73.02908	3.0
79.05500	5.2
81.03408	4.0
81.07044	5.2
83.04982	1.2
83.08616	1.1
85.02895	7.6
86.09692	3.7
91.03966	1.0
91.05465	7.3
92.08912	0.8
93.07047	5.1
95.04967	1.6
95.08582	3.4
97.02885	5.2
101.02359	1.5
105.07024	6.6
107.04961	1.4
107.08580	2.7
109.10164	1.7
117.07038	1.0
119.08562	3.7
121.10124	1.2
123.19171	0.7
124.99925	1.5
131.08585	3.1
133.10144	4.8
135.11646	1.8
145.10106	1.7
147.11710	1.7
149.09593	1.0
159.11591	1.0
184.07320	6.2
243.08438	2.7
315.19379	3.0
371.21722	1.0
469.20245	6.1
533.27045	9.7
588.93903	0.9
761.40680	100.0
762.41400	4.3
763.10162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01857	0.8
55.05504	5.5
55.36298	0.6
57.03427	5.1
61.02916	9.3
67.05498	15.9
69.03411	5.3
69.07056	4.4
71.04984	1.0
73.02903	6.2
77.15729	0.6
79.05468	12.5
80.05811	1.0
81.03402	10.8
81.07039	16.0
83.04967	0.8
83.08611	3.8
85.02892	7.2
86.09692	3.6
89.18205	0.7
91.03950	4.4
91.05450	6.9
92.09003	6.0
92.42177	0.6
93.07020	13.0
94.07343	0.8
95.04950	4.5
95.08586	11.1
97.02869	7.8
97.06521	0.8
97.10146	1.5
98.97572	3.3
99.04448	1.1
101.02385	3.3
105.07021	5.9
107.04948	1.0
107.08589	6.4
109.02911	1.6
109.06529	1.1
109.10139	4.7
116.98628	4.1
117.07027	1.3
119.08578	4.5
120.08938	0.9
121.10137	3.4
123.11725	0.9
127.03930	1.4
129.06975	0.7
131.00189	1.3
131.08568	4.1
133.10120	4.8
134.99673	3.6
135.11719	1.2
143.08638	0.6
143.66942	0.6
144.35294	0.6
145.10147	1.6
147.11711	2.8
149.01190	1.3
158.99693	1.2
159.11731	0.9
163.11183	1.1
177.00717	3.2
184.07384	4.5
191.02258	1.6
194.08279	0.7
201.00769	1.3
201.95422	0.8
219.01759	3.8
243.08334	1.1
261.02771	1.6
266.64011	0.6
267.15952	4.4
268.16141	1.1
321.24304	1.5
335.25729	2.5
391.50391	0.8
483.18222	2.8
519.29303	7.3
531.36847	1.1
545.38147	1.3
546.38477	0.9
571.47351	3.0
572.47791	1.3
761.40649	100.0
762.40704	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	761.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01854	0.9
55.05504	2.1
57.03424	2.6
61.02919	5.9
67.05167	0.6
67.05490	4.0
69.03422	2.3
69.07050	3.8
73.02900	3.4
79.05479	3.4
81.03391	4.4
81.07041	5.6
83.04974	0.9
83.08621	2.0
85.02889	6.2
86.09711	1.0
91.03963	2.1
91.05457	5.6
92.09077	0.9
93.07028	4.2
95.04964	3.2
95.08601	2.4
97.02858	5.4
97.06522	1.0
101.02378	1.1
105.07032	4.5
107.04938	1.1
107.08600	2.8
109.02861	0.6
109.06521	0.7
109.10217	1.9
111.47801	0.5
115.03963	0.5
117.07014	0.7
119.08573	3.7
121.10161	0.6
127.03912	0.9
131.08606	2.1
133.10114	2.0
133.12222	0.5
145.10135	0.9
147.11699	2.2
147.20366	0.4
149.09654	0.6
157.10184	0.8
175.11244	0.8
179.14250	0.8
184.07359	2.1
185.07716	0.7
193.12291	0.9
243.08469	3.3
302.30652	0.7
315.19287	6.1
469.20358	11.6
494.36890	0.6
533.27045	5.8
761.40717	100.0
762.41278	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	761.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01852	0.6
55.05495	1.6
57.03424	3.0
58.60299	0.3
59.04991	2.8
61.02914	6.2
67.05492	4.3
69.03408	4.5
69.07052	2.3
70.71535	0.4
71.01351	0.3
71.04977	3.5
73.02559	0.4
73.02896	4.3
76.66041	0.3
79.05476	5.5
81.03394	10.0
81.07035	6.4
83.04967	1.6
83.08608	1.6
84.76033	0.4
85.02892	6.7
85.06541	0.7
87.04473	1.5
91.03954	2.8
91.05452	6.6
92.08842	1.8
92.09376	0.6
93.07024	5.2
95.04952	3.2
95.08057	0.4
95.08582	2.9
97.02869	5.3
97.06529	1.6
99.04433	0.8
101.02365	2.5
103.03930	0.6
105.03397	2.4
105.07019	4.3
107.04963	1.6
107.08563	3.8
109.02898	0.8
109.06553	0.8
109.10149	0.7
111.08096	1.5
117.03327	0.7
117.06992	0.6
119.08537	4.2
121.06452	0.8
121.10114	4.7
123.08009	0.4
123.11684	0.5
125.09527	0.6
126.02801	0.4
127.03911	2.5
129.06996	2.2
131.04968	0.6
131.08565	3.4
133.10133	2.9
137.05952	0.8
142.07834	0.5
145.02834	2.7
145.06461	0.4
147.04433	0.8
147.07997	0.5
147.11661	3.4
149.06029	0.5
149.09579	3.9
151.11188	0.4
157.10085	2.6
163.03862	0.4
165.12766	0.5
175.11139	1.4
177.05441	5.9
185.04297	0.5
193.12166	3.9
197.15259	0.4
211.13306	0.5
225.14839	1.6
230.70293	0.4
243.08319	4.6
267.15887	2.1
283.15097	9.2
339.17862	2.3
387.98068	0.4
441.21100	0.5
467.10178	0.4
469.20602	1.4
483.21893	0.4
501.22955	35.0
615.09479	0.4
728.65704	0.5
761.39172	100.0
762.39764	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	761.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.4
57.03425	1.2
57.07043	0.7
67.05480	6.4
67.29758	0.7
69.07045	4.3
69.53645	0.7
71.72850	0.7
79.05466	1.8
81.03420	1.1
81.07039	5.1
82.47031	0.6
83.08594	1.2
86.09702	1.2
91.05458	1.5
93.07016	5.7
95.04948	1.3
95.08572	3.2
97.10142	0.8
105.07011	1.4
107.08598	1.5
109.10147	1.6
109.65345	0.7
111.34323	0.7
114.37333	0.8
119.08590	0.9
121.10146	1.4
124.99950	1.1
131.08521	0.9
133.10170	0.9
135.11678	1.3
139.95087	0.7
145.10118	0.8
184.07324	1.3
185.07758	0.8
226.26915	0.7
227.80136	0.8
272.60226	0.8
273.66464	0.7
388.53848	0.8
413.32867	0.8
564.39868	0.8
571.47375	3.0
572.47766	3.6
761.38623	100.0
762.39001	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	761.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
57.07055	0.8
60.08142	1.7
60.17709	0.8
61.02910	1.0
64.33278	0.8
66.71929	0.8
67.05486	5.9
69.07045	2.1
71.07343	0.9
79.05468	4.7
79.99887	0.9
80.14896	0.8
81.07036	4.3
83.08601	1.4
83.59820	0.8
86.09681	16.7
87.10012	1.9
91.05472	1.3
93.07022	2.2
95.08596	4.3
98.98415	1.1
105.07018	1.5
107.08604	1.1
109.10187	1.5
119.08532	0.9
121.10103	0.9
124.99958	11.7
131.08501	1.2
132.89474	1.0
133.10104	1.5
145.10133	1.7
146.82710	1.0
184.07300	35.2
185.07668	1.6
229.75284	1.0
251.23027	1.0
283.15335	1.2
572.47693	2.4
761.38446	100.0
762.38342	1.8
766.39081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42500	1.1
55.05496	4.9
56.05025	1.6
57.07042	6.4
59.04983	1.3
65.17241	1.1
67.05460	7.3
69.07056	2.6
71.07332	7.9
71.08591	3.3
79.05051	1.2
79.05447	8.5
81.03380	2.4
81.07021	10.7
83.04930	1.6
83.08585	2.5
85.10131	1.7
86.09684	43.7
87.09995	2.9
91.05424	5.8
93.06985	7.8
95.04874	2.3
95.08553	7.1
97.06482	2.4
102.21399	1.2
103.14753	1.2
105.06991	2.7
107.08530	2.0
109.10124	2.6
119.08536	1.5
119.37028	1.4
121.10072	3.2
124.99893	2.0
131.08502	2.2
133.10036	1.2
135.11571	1.3
146.98187	13.2
184.07220	5.3
189.15529	1.2
204.39682	1.5
233.76416	1.2
253.13927	1.7
283.15085	2.2
400.06113	1.4
577.40576	27.0
578.40900	30.8
701.39844	29.7
702.40070	39.6
760.46954	19.2
761.37378	100.0
762.38281	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	761.386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.5
60.08152	3.7
63.60941	0.6
65.50242	0.7
67.05494	3.5
69.07049	0.8
71.07365	2.6
73.02870	0.6
79.05467	2.5
80.20605	0.6
81.07044	4.1
83.08601	0.9
85.06544	0.7
86.09687	21.0
86.10165	0.7
87.10044	1.5
91.05469	2.5
92.08994	6.2
93.07030	3.1
95.04967	0.8
95.08575	1.2
97.06497	0.8
98.98424	1.4
104.10749	1.0
105.07015	1.1
107.08576	1.2
109.10124	1.1
118.89989	0.6
119.08620	1.1
124.99984	18.4
126.00358	0.8
133.10120	1.0
136.48331	0.7
184.07301	43.0
185.07692	3.6
249.53238	0.6
431.58237	0.7
463.30399	0.7
546.38641	0.8
571.47351	1.4
572.47479	1.0
625.90216	0.7
655.26117	0.7
738.75586	0.7
760.47223	3.3
761.38489	100.0
762.38910	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	760.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.6
55.05506	5.0
57.03424	1.0
57.07062	0.6
60.08155	9.6
67.05494	7.0
69.07047	3.2
71.07349	3.9
71.08643	0.6
76.56438	0.5
79.05473	3.5
81.07038	6.3
83.04938	1.0
83.08595	3.0
86.09693	48.3
91.05467	2.8
93.07010	3.7
95.04944	1.3
95.08582	4.3
98.98444	5.1
104.10708	3.9
105.06995	1.4
106.97668	0.6
107.08573	3.2
109.10152	1.3
111.04420	1.5
111.08067	1.1
119.08575	1.4
121.10126	3.3
124.99981	31.6
129.07022	0.8
131.08528	0.8
135.11687	0.8
136.74707	0.7
145.10178	1.1
163.11151	1.0
181.12323	1.2
184.07310	100.0
191.10677	0.9
227.12779	0.8
285.11050	0.8
337.27277	1.2
421.36566	0.7
506.77359	0.7
545.38086	0.8
563.39154	0.8
571.47125	3.0
573.40771	0.8
760.47412	12.3
761.37701	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	760.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01857	2.3
55.05505	13.9
55.57033	0.4
56.05021	0.6
56.09123	0.4
57.03426	12.0
57.07062	0.9
60.08148	8.6
61.02902	1.0
65.03926	0.9
67.05493	35.0
69.03409	1.3
69.07056	7.5
71.04971	1.1
71.07368	4.0
73.63938	0.5
79.05474	29.4
81.03398	42.8
81.07038	38.0
81.07521	1.1
83.04969	2.6
83.08604	12.4
85.02888	0.7
85.06532	0.8
86.09688	44.1
88.26346	0.5
91.05459	20.4
92.08744	1.9
92.09335	1.4
93.07021	29.3
95.04945	14.9
95.08581	24.1
97.02854	1.9
97.06511	2.5
97.10168	2.8
98.98459	3.3
99.08060	0.6
104.10723	3.2
104.63677	0.5
105.07008	16.3
107.04950	3.6
107.08572	14.8
109.06483	3.2
109.10147	8.6
111.08039	4.1
117.06991	5.3
119.08557	15.3
121.10108	13.9
123.04413	0.8
123.08049	2.4
123.11678	3.3
124.99978	33.2
125.09566	2.2
129.06973	7.1
131.08534	12.1
133.06541	0.5
133.10097	9.0
135.08002	0.7
135.11665	6.7
137.09595	0.9
137.13199	0.8
141.06987	0.6
142.07767	1.2
143.01012	0.5
143.08539	2.1
144.62932	0.6
145.06479	0.6
145.10117	8.0
147.08043	2.2
147.11679	6.4
149.09599	2.6
149.13243	2.8
155.08533	0.7
156.85446	0.6
157.10110	6.3
159.11693	4.8
160.12070	0.5
161.01817	0.5
161.13216	2.5
163.11160	0.8
163.14841	0.7
165.12695	0.9
169.10095	0.7
171.11633	0.7
173.13249	3.2
175.11163	4.5
175.14787	0.8
183.11508	0.7
184.07300	100.0
185.07771	0.8
185.13283	0.9
187.11365	0.6
187.14882	1.2
189.11188	0.7
193.12178	9.5
194.68649	0.6
199.14801	0.6
201.16389	0.7
227.12802	1.1
243.20952	2.0
249.14859	0.6
261.22070	4.6
267.15848	29.8
273.18851	0.5
285.16971	1.2
299.23837	0.5
301.25314	0.6
317.24536	0.7
335.25735	26.3
336.25970	0.8
348.63254	0.6
435.32370	1.0
453.33490	2.3
471.34787	1.1
527.37201	21.7
545.38245	26.3
563.38678	2.6
569.38049	1.1
623.38867	0.9
635.38983	0.6
671.41382	0.8
710.43787	12.7
717.35767	0.7
760.41986	3.5
761.41132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.9
53.03930	2.6
55.01855	3.8
55.05502	10.9
57.03439	5.1
57.03653	0.6
57.07053	4.8
59.04976	0.9
61.02912	8.7
61.44155	0.7
67.05176	1.0
67.05486	12.3
69.03065	1.1
69.03413	20.4
69.07052	15.3
70.06577	0.8
71.04601	1.3
71.04971	19.3
71.08598	1.3
73.02889	3.8
73.06529	0.9
79.05470	23.1
79.44937	0.7
81.03398	8.9
81.07037	94.2
82.07359	0.9
83.04955	3.2
83.08601	7.0
85.02887	100.0
85.06516	5.7
87.04463	1.5
89.30596	0.8
89.99332	0.6
91.03927	6.0
91.05459	13.1
93.07021	37.6
95.04935	4.4
95.08583	32.7
95.09189	1.1
97.02868	23.4
97.06504	2.8
97.10132	3.2
99.04432	5.9
99.08063	3.8
101.00925	0.7
103.03896	0.9
103.05449	0.9
105.03365	3.8
105.07013	41.3
106.91163	0.6
107.04945	1.3
107.08572	63.0
109.02870	7.5
109.06490	4.3
109.10139	39.9
111.08034	3.2
111.11729	1.1
113.09615	1.1
115.03893	1.4
117.06976	3.9
118.84424	0.7
119.04922	3.0
119.08558	67.7
120.23651	0.7
121.10122	13.7
123.04395	1.2
123.07977	1.6
123.11677	15.6
125.09589	5.9
127.03880	26.6
127.11171	19.0
130.14703	0.7
131.04854	0.8
131.08527	3.3
132.41151	0.7
133.10107	37.1
135.04466	1.0
135.11665	87.7
137.05951	1.7
137.09576	1.1
137.13234	4.1
139.11121	2.9
143.08604	1.3
143.10651	20.0
145.02992	0.8
145.04938	31.7
145.06607	0.9
145.10107	6.2
147.04408	7.1
147.11671	27.8
148.04707	2.9
149.13240	7.7
151.11122	1.2
153.12729	4.5
157.10103	0.9
159.08044	1.1
159.11665	3.9
161.13228	13.8
163.03847	4.9
163.05975	13.9
163.14754	4.6
165.09084	1.1
165.12737	1.3
166.14188	0.8
167.07004	3.3
169.10162	0.7
171.08046	0.9
173.13225	1.6
175.14801	1.2
177.05405	2.9
177.16304	1.1
187.07562	1.5
203.17917	42.6
205.19466	1.7
219.17319	0.8
221.18968	85.8
223.20560	1.0
239.20044	9.3
249.11169	9.2
269.84302	0.8
282.03500	0.7
287.05478	0.9
289.08994	1.0
295.65884	0.9
325.11240	20.0
331.26047	0.9
341.68631	1.0
347.22223	1.2
363.39206	0.7
365.22964	1.5
383.24213	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	760.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.2
55.01859	8.3
55.05497	5.2
56.54623	0.5
57.03411	4.0
65.03908	0.9
67.05489	4.9
69.03413	9.4
69.07043	2.2
71.04954	2.4
73.02879	0.9
75.04448	1.4
77.03871	0.6
79.05472	9.4
81.03394	18.9
81.07034	5.7
83.04964	2.4
83.08596	1.3
85.02890	15.1
85.06509	0.7
86.60104	0.7
89.03895	0.6
91.05457	12.9
92.08905	2.6
93.06999	6.0
95.04937	13.5
95.08582	5.3
97.02866	10.9
97.06487	1.1
97.10131	1.4
99.04419	2.9
103.03902	3.9
103.04543	0.5
103.04826	0.5
103.05437	6.2
105.03371	100.0
105.04489	2.5
105.07008	10.1
107.04918	3.9
107.08562	3.9
109.02848	8.9
109.06499	4.5
109.10143	3.5
111.04395	1.2
113.05951	0.6
115.05424	3.7
117.06953	3.8
119.04912	18.1
119.08574	5.8
120.08898	0.6
121.06451	3.2
121.10089	3.2
123.04418	9.4
123.08001	2.6
123.11622	0.7
124.05185	9.5
125.05953	3.7
125.09620	0.9
127.03889	6.4
129.06984	1.1
131.04906	7.0
131.08548	3.0
132.05711	0.8
133.02818	3.3
133.06480	10.3
133.10143	4.4
135.04376	0.7
135.08009	3.2
135.11612	0.9
137.05956	19.7
137.09511	0.9
139.03836	1.2
139.07581	1.0
141.06970	1.3
143.04869	0.9
143.08551	0.7
144.05676	0.9
145.02798	0.9
145.06407	4.8
145.10144	1.2
146.07120	0.8
147.04385	16.5
147.08005	4.6
147.11674	0.9
148.05130	0.6
149.02316	2.9
149.05974	4.6
149.09538	0.9
151.03865	3.9
151.07536	10.4
152.04657	2.7
152.08289	0.7
153.05443	9.5
157.04897	2.5
157.06439	0.6
157.10132	0.9
159.04378	1.4
159.11633	0.7
160.05096	1.1
161.05937	17.7
161.09587	0.8
162.06677	6.2
163.03824	2.8
163.07498	10.3
163.11073	1.0
165.05428	3.1
165.09084	3.1
167.06990	3.2
167.10580	0.8
169.06381	2.1
173.05940	3.5
173.09627	1.0
173.13310	0.8
174.06706	1.0
175.07501	6.7
175.14781	1.0
177.05414	6.0
177.09062	1.0
178.06259	4.5
179.06987	15.5
181.04869	4.5
181.06342	0.7
187.07524	2.3
188.04620	0.8
189.05421	9.0
190.06111	0.8
191.06975	8.5
191.10591	0.7
193.04930	1.0
193.08560	12.4
197.05899	3.4
201.05426	2.7
201.09076	0.9
203.06979	7.6
205.04843	0.7
205.08577	6.1
207.06534	4.0
215.06979	2.4
219.06413	2.5
220.07222	2.6
221.08029	8.3
229.08551	5.7
229.14151	0.8
233.08047	12.0
236.06740	19.0
247.05933	8.8
249.07567	12.0
251.09079	62.1
252.09470	0.8
257.08051	10.6
267.08560	8.0
275.09012	3.8
277.10648	1.0
279.08569	67.7
287.05362	3.3
288.05692	1.0
344.52689	0.7
379.11557	2.7
397.12729	6.0
409.12827	7.5
415.13553	2.5
425.12238	0.7
436.67783	0.6
441.15726	1.1
459.26868	0.8
476.27203	2.4
477.27359	1.1
494.28101	0.9
653.81018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.5
56.59394	1.1
57.03429	5.0
61.02911	8.8
61.80587	1.1
67.05502	13.3
69.03414	5.3
69.07056	3.0
73.02906	5.0
79.05479	9.9
81.03406	4.6
81.07027	10.9
83.04964	1.9
83.08627	1.7
85.02899	9.6
86.09705	7.9
91.03944	4.8
91.05473	7.2
92.08714	5.1
92.09334	3.6
93.07032	14.9
95.04955	2.4
95.08598	8.8
97.02899	7.6
97.98757	1.0
99.20020	1.2
105.07028	3.0
107.08598	5.1
107.17194	1.3
109.10156	1.7
119.08547	2.3
121.10116	1.4
124.99996	2.8
131.08607	1.4
133.10124	2.1
145.10107	2.1
161.13245	1.1
184.07275	11.2
214.73654	1.2
243.08449	2.2
335.25653	2.0
399.93362	1.3
481.20538	4.7
519.29095	2.4
691.40851	1.9
758.44318	9.7
759.43176	100.0
760.43292	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81475	0.2
55.01855	0.7
56.63140	0.2
65.03917	0.4
67.05466	0.8
67.51922	0.1
69.03403	0.7
70.06558	0.3
73.02894	6.4
78.56549	0.1
79.05460	1.0
83.04939	0.3
85.02876	1.0
89.03881	2.7
92.08878	0.4
95.04935	1.0
105.03371	0.3
107.04929	2.1
108.08261	0.2
111.04431	0.5
113.05972	0.3
117.03334	4.8
121.02832	0.4
123.04401	1.8
127.03880	0.2
130.44244	0.2
135.04387	13.6
140.03603	0.4
140.04655	8.9
142.02536	0.2
144.90678	0.2
145.02821	12.6
155.01596	0.2
155.03316	0.2
155.06995	14.1
162.76683	0.2
163.03862	100.0
164.04211	1.2
167.06953	0.2
171.06485	0.4
173.08078	1.4
179.06955	0.4
181.04912	20.1
181.08504	1.1
209.08032	5.3
227.09091	25.9
228.09430	0.2
241.44420	0.2
252.97934	0.4
355.10135	8.6
513.92236	0.2
556.60547	0.2
742.29132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81555	0.4
56.96386	0.4
58.06591	0.5
60.07910	0.5
60.08151	8.8
67.05474	0.7
71.07355	3.8
79.05470	0.6
81.07018	1.0
86.09689	51.6
87.22055	0.4
98.98444	4.5
104.10713	2.8
122.09950	0.5
124.99973	35.4
166.50897	0.5
184.07303	100.0
185.07692	0.6
212.27866	0.5
219.29173	0.5
233.84293	0.5
499.66406	0.5
605.64539	0.5
758.56891	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	759.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01876	1.4
55.05497	3.6
57.03418	2.8
57.88120	0.5
59.05014	0.6
59.66666	0.6
59.89436	0.5
60.42421	0.6
61.02909	5.8
64.33320	0.6
67.05477	7.2
68.35636	0.6
69.03406	3.7
69.07052	1.4
71.04967	3.0
73.02524	0.6
73.02908	4.0
76.98283	0.5
79.05466	4.5
81.03387	5.8
81.07030	6.8
83.04967	2.8
83.08604	1.0
85.02888	7.2
85.06532	0.8
87.04443	0.6
91.03933	2.4
91.05458	6.0
92.08980	3.9
93.07019	4.9
94.97198	0.6
95.04941	2.9
95.08578	3.6
97.02867	4.6
97.06519	1.3
99.04441	1.3
99.08092	0.7
101.02364	1.1
105.03409	1.3
105.07011	4.2
107.04938	0.7
107.08594	4.0
109.02876	1.0
109.10141	2.8
111.04406	5.6
111.08062	2.3
115.03994	1.0
119.08567	2.8
121.06403	0.8
121.10134	4.1
127.03899	2.9
127.26890	0.6
129.06984	0.8
131.08554	2.8
133.10063	2.0
135.11710	1.1
137.09677	0.7
145.10164	0.8
147.11699	2.5
149.09645	2.4
153.12712	2.3
157.10101	0.9
163.11198	4.0
175.11166	1.3
177.05429	0.7
181.12245	4.1
184.07361	0.7
191.10564	4.5
193.12256	0.7
209.11732	0.9
225.14857	1.0
227.12808	3.1
243.08525	2.7
251.12621	0.9
281.13599	8.2
283.15256	3.1
337.16406	2.2
339.17880	1.1
344.84262	0.6
410.48956	0.7
499.21402	13.5
501.22931	15.7
669.30731	0.8
759.37518	100.0
760.38318	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	758.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.6
53.03940	2.9
53.59314	0.6
54.94225	0.6
55.05500	18.5
57.03423	9.3
57.07059	3.1
59.04990	1.3
60.08154	1.2
60.21452	0.6
61.02908	4.4
62.58838	0.6
64.33769	0.7
65.03914	1.3
67.05489	67.0
69.03401	1.5
69.06700	1.2
69.07048	14.8
71.04974	20.1
71.08578	0.6
73.73808	0.6
79.05470	37.4
81.03396	1.0
81.07034	100.0
83.04970	3.2
83.08599	9.0
85.02887	3.8
85.06515	6.7
86.09673	5.7
91.04877	1.4
91.05453	33.5
92.09000	8.1
93.07016	43.8
95.04964	4.9
95.08578	30.7
97.02882	1.1
97.06489	5.8
97.10156	3.0
99.08106	1.1
105.07006	22.4
106.86832	0.8
107.08561	21.4
109.06505	2.7
109.10133	15.2
111.08043	3.2
117.06993	6.7
119.08539	9.6
121.10114	19.7
123.11682	13.9
124.99970	4.8
125.09506	0.9
131.08562	9.1
133.10103	19.0
135.11659	8.9
139.11102	1.0
142.77907	0.9
143.08612	1.1
145.10138	5.7
147.11681	3.4
149.09592	0.9
149.13242	7.2
151.11172	6.2
155.08511	0.8
155.65981	0.7
157.10066	1.6
159.11678	5.6
161.13228	3.3
169.10017	0.7
173.13254	2.7
177.12697	1.0
183.13686	0.8
184.07286	10.2
185.13234	0.8
187.13264	2.6
187.14787	0.7
195.13878	1.1
221.54013	0.7
227.16388	1.5
240.62657	0.7
243.21095	1.2
257.17273	1.0
259.20752	0.9
261.21985	1.6
269.17447	3.6
301.19965	11.8
335.25787	11.8
396.15930	0.9
455.00125	0.8
485.36011	2.7
503.37192	57.7
505.61993	0.9
511.37540	1.0
517.38739	1.1
529.38696	12.3
547.39868	0.8
561.41388	55.3
695.97333	0.8
711.02936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.5
55.01867	8.5
55.05503	33.9
55.05758	1.8
57.03425	25.1
57.07065	2.3
60.25868	1.0
61.02908	6.2
65.03924	1.9
67.05486	66.0
69.03410	5.1
69.07050	21.9
71.04957	6.8
71.07337	1.0
73.02886	1.7
79.05467	72.4
81.03394	72.1
81.07032	69.2
83.04957	19.5
83.08595	30.8
84.21521	0.9
85.02877	29.7
85.03352	1.2
85.06538	2.0
85.12743	0.9
86.09671	11.2
91.05453	100.0
92.08846	1.9
93.07015	75.8
95.04937	31.2
95.08576	41.2
97.02866	3.9
97.06480	7.4
97.10136	6.6
99.08071	2.3
105.04543	1.2
105.07006	93.4
107.04935	12.1
107.08562	37.7
109.06474	8.5
109.10142	14.7
111.04420	2.0
111.08057	11.0
113.05972	2.0
115.05456	4.9
117.06987	19.2
119.04952	1.1
119.08549	74.4
121.06509	1.8
121.10114	26.9
121.10959	1.1
123.08047	6.0
123.11671	4.5
124.99963	7.3
125.09608	4.3
128.06218	2.3
129.06978	27.5
130.07777	1.3
131.08536	37.7
133.06473	4.6
133.10095	51.6
135.08107	1.9
135.11653	13.8
137.09641	4.1
141.06969	2.0
142.07761	5.6
143.08537	13.6
145.10098	24.1
147.08040	4.6
147.11658	44.5
149.09602	7.8
149.13242	7.2
151.11203	1.2
155.08528	4.0
157.10089	19.6
159.11679	17.6
161.13232	18.7
163.11186	4.3
165.12782	3.6
166.76610	0.9
167.08580	1.2
169.10121	3.9
170.10919	1.2
171.11641	13.2
173.09634	1.2
173.13206	8.0
173.25621	1.0
175.11147	13.2
175.14752	8.6
177.12698	1.4
183.11705	3.9
184.07269	19.8
185.13214	9.6
187.14783	2.3
193.12187	29.9
195.11691	1.4
197.13316	3.9
199.14778	5.3
209.13242	1.2
211.13223	30.9
211.14969	1.8
213.16391	1.4
225.16350	1.3
227.12735	1.9
231.20976	1.6
240.00063	1.1
241.19455	15.3
257.19034	1.8
259.20508	46.9
264.32318	1.0
267.15781	14.1
283.15424	1.9
285.16870	41.2
294.02692	1.1
301.21127	1.0
315.23080	3.9
333.24155	35.4
335.25699	1.8
433.30823	5.8
451.31824	6.9
467.49164	1.0
469.33008	2.1
515.37115	3.5
525.35675	24.7
543.36670	63.7
561.37518	1.8
651.38806	1.3
695.52930	1.2
758.42773	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.3
53.03926	5.4
55.01852	3.6
55.05505	29.5
57.03178	1.4
57.03429	22.6
57.07058	4.2
59.04983	1.2
61.02898	5.1
65.03912	3.6
67.05493	57.2
69.03400	4.5
69.07051	21.3
71.04967	5.2
73.02927	1.1
79.05473	74.1
81.02934	1.9
81.03400	51.9
81.07037	60.5
83.04961	15.5
83.08597	22.1
85.02882	22.6
85.06519	4.9
86.09694	7.5
87.04462	1.0
91.05459	91.3
92.09126	5.1
93.07019	73.7
95.04948	28.7
95.05527	1.1
95.08582	41.4
95.20205	0.9
97.02850	5.4
97.06499	4.4
97.10142	6.3
99.08057	4.2
103.05442	1.0
105.04475	1.1
105.07011	100.0
107.04935	9.5
107.07863	1.8
107.08567	35.9
109.06504	8.1
109.10144	13.1
111.04421	1.7
111.08064	8.1
113.06033	1.2
115.05400	1.4
116.06241	1.1
117.07003	21.8
118.70608	1.0
119.08558	69.6
121.06471	4.3
121.10126	26.2
123.08054	4.8
123.11674	2.2
124.99979	4.0
125.09579	2.2
128.06163	2.2
129.06976	23.9
131.08540	36.3
133.06433	1.9
133.10095	56.0
135.08023	1.2
135.11655	14.1
137.09593	2.1
141.07040	1.7
142.07779	5.1
143.08539	17.0
145.10107	29.4
147.04495	1.3
147.08038	4.2
147.11661	41.9
149.09596	6.9
149.13257	9.0
151.11115	1.0
155.08501	3.3
157.10121	22.1
159.08084	1.2
159.11662	18.5
161.09647	1.3
161.13223	24.4
163.11177	2.0
163.14716	1.6
165.12613	1.2
167.08351	1.1
169.10072	3.7
171.11668	10.3
173.13239	13.2
175.11140	14.1
175.14777	7.6
177.12708	1.7
181.10001	1.0
183.11658	4.0
184.07272	13.7
185.13243	9.2
187.14798	2.2
189.12646	1.1
193.12215	24.1
195.11644	1.5
197.13165	3.8
199.14851	5.9
211.13232	25.5
211.15013	1.5
213.16267	1.8
215.17957	1.2
227.12556	1.5
231.21057	4.2
239.17712	1.1
241.19481	18.1
257.18994	1.4
259.20508	61.2
267.15833	13.5
277.21613	1.5
283.15262	1.5
285.16898	31.1
291.19711	1.0
299.23499	1.4
315.23117	5.7
333.20261	1.7
333.24182	45.5
386.39648	1.2
415.29718	1.6
433.30823	5.2
443.28296	0.9
451.32108	8.8
469.32690	3.7
475.12164	1.1
487.34171	1.0
489.98792	1.0
507.34232	1.7
515.36823	2.2
525.28198	1.4
525.35590	25.9
543.36694	70.1
561.37457	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	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.01863	6.5
55.05502	33.0
57.03423	17.2
57.07059	2.8
59.04984	1.7
60.08134	1.7
61.02907	8.2
65.03928	2.0
67.05491	100.0
69.03409	6.5
69.06711	1.7
69.07055	27.5
71.04962	4.8
71.07361	1.3
73.02879	1.4
79.05473	71.2
80.04356	1.0
81.03397	8.5
81.07036	77.9
83.04965	20.6
83.08598	18.9
85.02898	9.5
85.06541	5.3
86.09700	13.1
87.10027	1.7
89.30363	1.2
91.05460	56.5
91.06004	2.5
92.09251	6.2
93.07020	87.0
95.04942	21.0
95.08006	2.5
95.08587	57.0
95.09200	2.0
97.02849	9.9
97.06499	12.9
97.10139	6.0
99.04408	2.7
103.05388	1.5
105.04483	1.2
105.07011	35.5
107.04937	14.9
107.08575	42.1
109.02865	1.4
109.06517	7.4
109.10142	30.8
111.04435	15.0
111.08043	4.8
113.05929	1.5
115.05471	1.9
117.06991	23.3
119.08563	27.0
121.06464	5.3
121.10117	30.2
123.08086	1.8
123.11668	6.8
125.00008	8.1
125.05968	2.1
125.09625	2.3
129.06937	9.9
130.07764	1.4
131.08549	28.0
133.06485	1.3
133.10110	27.0
135.08015	6.6
135.11685	24.8
137.09633	5.6
139.11116	1.6
141.06985	1.6
142.02570	1.2
142.07841	1.8
143.08533	9.3
145.05098	1.0
145.06496	4.9
145.10101	29.9
147.08057	6.5
147.11627	13.1
149.09616	5.9
149.13268	6.7
151.11130	2.5
155.08548	6.5
157.10109	6.0
159.11656	10.4
161.09554	2.0
161.13210	5.2
163.11153	19.8
163.14845	1.6
169.10072	5.7
171.11685	5.8
173.09668	9.5
173.11884	1.8
173.13150	10.4
175.11240	2.2
175.14822	1.4
181.12254	2.2
183.11661	2.9
184.07318	27.2
185.07639	2.1
185.13251	4.8
187.11079	1.7
187.14774	4.8
191.10643	8.7
195.11674	1.5
197.13292	1.7
199.14864	4.7
209.11664	16.7
209.13364	1.6
211.14897	1.6
227.12688	4.0
229.14313	2.5
243.21126	1.9
253.14207	1.8
255.15840	5.7
261.22144	7.8
273.22177	1.9
283.15344	61.2
301.16437	4.7
301.21585	1.7
315.23370	1.7
317.21188	1.5
333.24002	2.0
335.25784	47.6
433.30801	6.4
451.31866	13.6
465.35538	1.5
469.32883	8.6
487.34201	2.6
507.34100	1.8
515.37195	2.0
525.35565	22.6
543.36688	94.6
544.36865	2.0
561.37817	30.9
634.51300	1.3
758.44434	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.7
53.03930	3.2
53.85772	0.7
54.81701	0.6
55.01865	14.0
55.05235	1.4
55.05501	35.1
56.05815	0.9
57.03425	24.7
57.07048	4.0
58.06578	0.7
59.04983	3.9
59.79084	0.7
60.08149	8.4
60.13031	0.6
60.40655	0.9
61.02910	7.6
65.03919	3.5
67.05489	92.0
68.05796	1.7
69.03402	4.5
69.07053	23.2
71.01317	1.0
71.04969	5.5
71.07338	1.5
73.02879	3.0
79.05471	71.9
81.03403	8.9
81.07035	88.8
82.07367	3.3
83.01357	0.9
83.04453	1.1
83.04959	33.9
83.08599	18.2
84.08945	0.8
85.02879	10.3
85.06510	5.4
86.09684	44.3
91.03932	1.1
91.05453	41.5
92.05773	1.9
92.08727	3.0
92.09323	2.5
93.07018	88.4
94.07337	4.0
95.04943	15.3
95.08578	60.7
95.25660	0.7
96.08915	3.2
97.02859	9.3
97.06505	12.4
97.10117	5.6
98.98427	3.2
99.00800	5.5
99.04432	6.8
99.08042	3.9
100.87299	0.7
101.02332	1.1
103.05431	1.0
104.10698	4.9
105.07005	31.5
106.07330	1.7
107.04934	10.8
107.08568	45.8
107.09289	1.9
108.08907	1.4
109.02872	6.4
109.06484	5.9
109.10138	29.8
110.10427	1.2
111.04419	57.5
111.08058	20.2
111.11629	0.7
113.05975	1.3
115.05417	1.1
117.06995	17.6
119.08553	25.8
120.08869	1.4
121.06477	6.9
121.09248	1.4
121.10114	37.7
122.10419	1.6
123.04388	1.8
123.08028	4.1
123.11655	7.7
124.99973	35.0
125.05956	3.9
125.09584	1.3
127.03880	0.9
128.06186	1.1
129.05431	1.3
129.06978	7.0
130.07730	1.2
131.08540	22.9
133.09169	1.3
133.10097	22.2
134.10440	3.2
135.08026	4.7
135.10645	1.4
135.11662	36.3
137.05978	0.9
137.09589	3.9
137.13219	1.0
139.07498	1.1
139.11118	1.1
141.06944	0.8
142.07742	1.0
143.08551	6.6
145.06465	3.1
145.10095	27.6
147.08037	3.1
147.11646	10.4
149.09586	6.1
149.13242	5.7
151.11116	4.0
153.12721	24.6
155.08495	6.7
157.10080	3.2
159.11662	8.2
161.09595	5.1
161.13301	5.8
161.14365	0.8
162.09911	1.1
163.11145	38.9
163.14780	3.6
171.08008	1.1
171.11626	3.0
173.09630	10.3
173.13162	6.3
175.14772	1.0
181.12198	33.9
183.11568	0.9
184.07295	100.0
185.07652	0.9
187.14767	3.1
189.08984	1.6
191.10635	22.5
208.10295	0.8
209.11690	19.7
225.11334	2.4
227.12711	27.8
243.20937	4.8
259.20691	1.1
261.22073	13.6
262.22330	1.8
273.22025	1.0
274.17725	0.8
283.15323	60.4
285.22052	0.8
299.14841	14.4
299.23898	1.2
300.15195	9.9
301.16388	39.2
315.23297	1.2
317.24432	2.6
335.25717	62.3
336.26007	11.4
337.26202	4.1
451.31888	5.4
469.33121	3.9
515.36853	1.1
525.35815	7.5
543.36688	41.3
560.36365	5.0
561.37665	53.0
579.37793	1.0
758.46112	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	758.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
54.97469	1.1
55.01865	15.1
55.05504	31.9
55.58464	1.0
57.03429	22.0
57.07067	2.5
57.09218	0.8
60.08153	1.7
61.02911	2.9
65.03925	3.0
67.05492	94.3
68.05826	1.6
69.03407	2.4
69.07054	25.9
71.01352	1.8
71.04964	6.9
71.08599	1.2
73.02930	1.4
73.29705	1.1
79.05473	71.7
81.03403	11.3
81.07042	80.4
82.07368	2.0
82.71950	1.0
83.04964	37.9
83.08594	16.1
83.26643	1.2
85.02885	8.9
85.06531	5.6
86.09694	16.4
91.03943	1.8
91.05454	39.6
92.05797	1.3
92.09115	2.2
93.07025	81.0
95.04954	14.8
95.08584	62.3
95.09197	2.2
97.02869	6.9
97.06518	16.3
97.10122	4.7
98.98406	1.8
99.00787	3.0
99.04473	4.5
99.08079	1.8
101.02369	1.2
105.07002	26.6
107.04941	9.8
107.08580	43.5
109.02871	1.4
109.06509	4.7
109.10139	35.3
110.96333	1.2
111.03653	2.3
111.04423	60.1
111.08070	20.3
117.07009	16.7
119.08548	24.5
121.06493	5.9
121.10120	46.7
123.08054	1.7
123.11674	7.9
124.99979	10.1
125.05972	2.9
125.09590	1.6
129.06967	6.2
130.07780	2.2
131.08534	21.2
133.10124	17.5
134.10402	1.6
135.08076	2.4
135.11671	42.2
137.09570	2.3
137.13229	1.5
139.07515	1.4
139.11162	4.4
143.08566	2.2
145.10112	31.2
147.08087	5.0
147.11667	8.6
149.09578	7.8
149.13239	6.3
153.12726	35.3
155.08562	2.2
159.11662	5.9
161.09587	1.5
161.13251	6.1
163.11143	57.5
163.14742	1.4
173.09569	9.9
173.13225	5.2
181.12210	44.0
184.07317	28.9
191.10654	29.9
209.11673	14.0
209.13342	1.2
227.12775	30.6
243.20987	2.9
245.13866	4.6
261.21994	14.5
265.14139	1.6
283.15329	66.4
283.18338	2.5
299.14755	2.1
300.15216	1.6
301.16403	53.7
317.24680	2.3
335.25732	87.7
336.26025	6.1
467.40912	1.3
525.36023	4.6
543.36780	31.6
561.37714	100.0
562.38062	4.8
758.45215	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.2
55.58241	0.5
60.08156	8.3
61.80445	0.5
62.07302	0.5
63.78381	0.5
67.05498	5.6
69.03446	0.5
69.07040	2.0
71.07362	4.2
73.81403	0.4
79.05470	2.9
79.76301	0.6
81.03403	0.7
81.07028	5.2
83.08611	0.5
85.14190	0.5
86.09688	45.1
91.05461	3.4
92.08863	4.9
93.07002	4.4
95.04931	1.0
95.08583	2.5
96.47397	0.6
98.98447	3.9
104.10727	2.9
105.07020	2.3
107.08578	2.4
109.10139	1.0
117.07035	0.7
119.08533	0.8
121.10125	1.3
123.22317	0.6
124.99062	1.2
124.99978	31.8
133.10155	0.8
135.11693	0.5
184.07303	100.0
213.00505	0.5
335.25574	1.1
355.30347	0.5
381.12183	0.6
384.48666	0.7
617.44019	1.3
633.45111	0.6
758.45886	12.4
759.42542	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	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.7
53.03938	5.8
55.01666	1.0
55.01867	18.4
55.05502	63.4
57.03176	1.6
57.03427	30.4
57.07062	5.8
59.04980	2.7
61.02907	7.7
65.03922	4.9
67.05489	100.0
69.03408	6.2
69.07047	31.9
71.01325	5.1
71.04978	6.0
73.02908	4.5
76.33021	1.0
76.71765	1.0
79.05469	86.7
81.02924	1.8
81.03398	40.4
81.07035	88.6
83.04959	23.6
83.08599	23.0
85.02885	10.6
85.06512	1.6
86.09653	7.8
91.03928	2.1
91.05452	56.0
92.08707	2.9
92.09307	3.8
93.07016	78.9
95.04940	21.5
95.08578	60.9
97.02866	16.7
97.06491	10.9
97.10142	17.6
99.04393	1.3
99.08087	1.5
103.05442	1.4
105.04527	1.8
105.07012	35.9
107.04929	21.6
107.08565	50.6
109.06499	2.3
109.10145	27.7
111.04433	13.5
111.08069	8.0
117.06998	16.6
118.89449	1.2
119.08561	31.9
121.06507	4.9
121.10120	31.1
123.08031	4.1
123.11687	4.6
124.99960	5.0
125.09616	9.7
128.06183	1.5
129.05455	1.5
129.06982	8.3
130.07762	1.9
131.08539	21.8
133.06531	2.0
133.10106	18.1
135.08070	4.1
135.11655	25.4
137.09608	1.3
141.06940	1.3
143.08560	5.4
145.06439	1.6
145.10089	24.6
147.08072	2.7
147.11668	14.0
149.09596	5.0
149.13206	4.7
153.12711	15.1
155.08531	3.5
157.10103	5.9
159.11690	7.3
161.13277	4.5
163.11137	32.9
163.14792	1.6
169.10118	1.2
171.11693	1.5
173.09586	4.7
173.11777	1.6
173.13235	5.3
175.11191	1.8
181.12186	10.1
183.11641	1.8
184.07310	20.7
185.13176	2.0
187.14743	1.8
191.10635	6.7
193.12238	4.8
199.13264	5.8
209.11676	5.5
227.12726	25.9
259.20526	5.0
261.22098	6.0
265.14413	3.8
267.15903	12.8
277.21368	1.8
283.15219	15.0
315.17871	5.9
321.24219	5.9
327.23059	1.4
333.24158	4.2
335.21945	1.6
335.25726	31.5
351.25095	1.7
451.31570	1.2
465.35651	9.8
489.35834	1.9
491.76456	1.3
509.33368	1.3
525.35944	1.4
543.36340	8.4
561.37738	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	758.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
53.25493	0.1
53.63701	0.1
65.03923	0.3
67.01849	0.7
68.99773	0.2
69.03408	2.7
70.68542	0.1
71.04964	0.3
73.91737	0.1
76.19350	0.1
77.15742	0.1
80.40273	0.1
81.03395	15.2
85.02892	0.3
91.05459	6.6
92.09062	0.2
97.02867	5.8
99.04430	4.1
100.56880	0.1
108.04440	0.5
109.02859	37.5
109.94250	0.1
119.04918	20.5
127.03889	10.0
139.03879	0.9
147.04382	100.0
148.04724	0.3
157.06479	0.2
169.04921	21.2
205.78461	0.2
211.05965	1.4
229.07053	1.6
255.06407	1.6
273.04779	0.2
273.07489	4.3
289.09186	0.3
315.04877	0.3
315.08572	10.0
338.13571	0.1
435.12772	2.4
570.21344	0.2
642.50555	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01860	0.9
65.03931	0.4
67.01840	0.3
67.05498	0.3
68.99772	0.3
69.03413	1.1
71.04973	1.5
79.05489	0.2
81.03398	12.1
81.07054	0.2
83.01348	0.2
85.02889	1.3
91.05459	6.2
92.08986	1.2
95.04951	0.3
95.08595	0.3
97.02869	2.6
99.04433	15.3
103.03925	1.3
105.03346	0.2
107.05000	0.2
107.08611	0.2
109.02862	23.5
113.85484	0.1
115.03899	0.2
119.04916	19.0
119.08590	0.2
125.02292	0.2
127.03891	47.6
139.03885	0.3
141.05495	0.2
145.02881	0.3
145.04936	5.9
147.04387	100.0
148.04771	0.3
169.04927	21.8
177.05412	0.3
184.07233	0.2
185.85693	0.2
187.05977	6.7
187.07469	0.3
211.06007	1.5
223.14670	0.2
229.07030	11.4
255.06453	1.7
273.07486	3.9
289.09116	1.2
312.11664	0.2
315.08563	10.5
374.65106	0.1
435.12732	3.6
771.93457	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.1
53.03929	0.7
55.05498	0.1
57.03417	0.1
58.04263	0.1
65.03924	0.4
67.01847	3.3
67.05483	0.1
69.03397	0.1
71.01310	0.1
71.04974	0.6
81.03392	7.8
81.07029	0.1
83.08583	0.0
85.02870	0.6
89.22677	0.1
91.05451	4.4
92.08839	0.4
93.07011	0.1
95.04932	0.1
97.02862	3.6
97.03490	0.1
99.03819	0.1
99.04427	1.6
105.03362	0.1
106.67188	0.1
109.02853	30.3
109.10135	0.2
110.03149	0.1
111.04395	0.1
119.04908	18.4
120.05313	0.1
127.03881	21.0
131.37839	0.1
139.03865	1.0
143.57805	0.1
145.02805	0.1
145.04915	0.1
146.68909	0.1
147.04375	100.0
148.04744	0.4
165.05402	0.4
169.04910	6.7
177.05406	0.2
185.05946	0.1
211.05913	0.4
213.05441	0.1
227.06882	0.1
229.14197	0.1
255.06445	0.7
271.08044	0.1
273.07492	13.4
331.10052	0.5
393.11676	6.8
394.11823	0.1
601.12531	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	757.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.5
53.03943	0.5
55.01868	1.1
55.05513	4.3
57.03432	2.5
57.07073	4.3
58.28984	0.5
61.02917	6.4
67.05496	5.1
69.03424	3.4
69.07052	3.6
70.40638	0.5
71.04972	1.0
71.08627	2.4
73.02898	4.3
78.40600	0.5
79.05472	4.1
81.03409	4.0
81.07041	6.4
83.08619	2.6
85.02900	3.7
85.10184	1.0
86.09698	2.2
91.03950	3.8
91.05470	3.4
92.09000	3.5
93.07027	4.5
95.04954	0.9
95.08597	5.1
97.02885	4.6
97.06564	0.7
97.10174	2.3
99.04467	1.2
101.02363	2.1
105.07019	3.2
107.08593	2.4
109.06512	0.9
109.10146	0.9
113.33964	0.5
119.08595	2.6
121.10130	2.6
124.95869	0.5
127.03877	2.0
129.06987	0.6
131.08600	2.2
133.10136	2.1
145.04924	0.6
145.10181	0.7
146.98184	0.7
147.11743	0.9
149.09645	2.5
184.07368	3.0
193.12296	1.1
237.22191	0.6
239.23788	0.6
243.08395	2.7
267.15878	0.7
283.15216	4.7
313.27396	1.1
339.17642	2.0
497.30811	7.4
501.23041	13.6
568.26245	0.6
585.45026	6.6
697.39459	0.9
698.40912	0.7
757.46918	100.0
758.46954	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	757.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01867	1.2
55.05503	3.5
57.03422	3.6
59.04993	0.6
61.02917	7.9
67.05487	6.3
69.03416	5.8
69.07043	0.8
71.01335	0.7
71.04987	4.6
73.02905	6.1
79.05478	4.4
81.03398	11.8
81.07037	6.2
83.04967	2.4
83.08619	1.3
85.02885	11.5
85.06554	0.8
85.69888	0.7
87.11461	0.6
91.03951	2.9
91.05453	10.6
92.08775	1.2
93.07025	5.5
95.04943	3.1
95.08605	3.2
97.02870	9.8
97.06506	0.7
99.04436	2.9
101.02383	1.5
105.03383	1.0
105.07024	6.4
107.04905	0.9
107.08598	3.9
107.28193	0.7
109.02871	11.1
109.06509	1.2
109.10143	2.5
111.08087	0.8
113.02338	3.1
119.04925	5.1
119.08572	6.0
120.55387	0.6
121.10133	1.5
122.37773	0.7
123.08027	0.7
127.03916	4.8
129.06995	1.0
131.08540	2.6
133.10088	8.4
145.02858	1.4
145.04932	0.8
145.09987	0.7
147.04387	26.1
147.11717	2.9
149.09631	1.5
151.11154	2.3
157.10136	0.9
161.09659	3.9
169.04889	5.5
173.13312	0.8
175.11131	1.2
177.05522	1.1
179.10677	3.5
184.07321	0.8
189.09123	0.8
193.12190	2.3
203.05490	0.6
207.10237	1.3
243.08304	4.6
283.15097	4.6
302.93011	0.6
315.08456	2.4
335.14685	0.8
469.20377	3.4
497.19812	10.8
501.22861	12.6
628.91992	0.7
729.99200	0.7
757.36017	100.0
758.36237	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84981	0.6
53.04165	0.7
55.01871	1.2
55.05507	4.9
57.03416	2.9
57.07062	0.9
64.15372	0.7
67.05486	7.4
67.87948	0.7
69.03429	1.4
69.07053	4.1
73.36447	0.7
79.05464	6.0
81.03402	6.7
81.07014	9.0
83.04956	1.7
83.08624	3.1
85.02906	1.2
86.09717	3.6
91.05450	6.5
92.08995	1.9
93.07019	6.8
93.75327	0.7
94.07356	0.8
95.08596	4.2
97.02912	3.1
97.06529	1.2
99.04407	1.1
105.07018	7.5
106.07384	0.8
107.08572	3.7
109.02870	7.7
109.10143	1.2
117.06970	1.0
119.08561	5.1
121.10172	1.3
123.11656	0.8
125.00034	1.6
127.03899	1.8
133.10130	5.2
145.10146	1.3
147.11713	4.1
149.64130	0.9
159.06540	3.2
159.11702	1.1
161.13365	0.8
163.11189	1.1
181.45432	0.7
184.07289	7.2
191.03210	0.7
193.12358	1.6
209.04332	1.5
211.13258	0.8
212.84561	0.7
212.86636	0.7
247.32275	0.8
251.05316	1.1
259.20459	1.1
267.16119	0.8
269.06366	3.8
275.20117	1.2
283.15326	2.7
285.16962	0.9
287.07440	1.1
311.22046	1.0
329.08380	16.4
333.24084	1.4
541.35168	3.6
542.35535	5.0
559.36493	1.6
560.36884	2.8
599.30206	13.3
679.01208	1.0
697.34338	4.2
757.36005	100.0
758.36823	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	756.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50705	0.1
55.05491	0.2
56.05030	0.4
57.16832	0.1
58.06318	0.1
58.06571	0.3
60.08149	8.8
64.33144	0.1
67.05466	0.5
68.63091	0.1
69.07050	0.2
71.06991	0.2
71.07350	4.3
79.05466	0.3
81.07027	0.3
83.08617	0.1
86.09683	44.7
91.05481	0.2
91.47259	0.1
92.08722	0.3
92.09267	0.2
93.07007	0.2
95.08588	0.3
98.98444	3.7
101.45887	0.1
104.10719	2.7
107.08591	0.1
123.05173	0.1
124.99973	32.4
143.00992	0.2
184.07294	100.0
208.27350	0.1
216.68335	0.1
234.55151	0.1
245.33897	0.1
286.15771	0.1
308.29630	0.2
597.48395	0.2
756.55194	6.0
757.53345	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	757.1971
Annotation	Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.03915	0.2
55.01868	0.1
57.03434	0.2
58.92932	0.1
61.02919	0.2
61.25285	0.1
64.33495	0.1
64.83795	0.1
65.03921	0.6
68.99770	0.2
69.03417	0.9
69.07054	0.1
70.06581	0.1
71.04978	0.2
73.02907	0.1
79.05480	0.2
80.99155	0.1
81.03391	1.9
81.07052	0.2
83.04985	0.2
85.02892	1.3
86.09705	0.2
88.77690	0.1
91.05461	9.3
92.08714	0.2
92.09266	0.3
93.07016	0.2
95.04932	0.3
95.08564	0.2
97.02864	0.7
99.04449	0.2
105.03358	0.3
105.07017	0.3
107.04907	0.3
107.08604	0.2
109.02869	0.7
109.06461	0.2
111.00804	0.3
119.04919	29.5
119.08589	0.3
121.02851	1.4
123.04461	0.2
127.03877	0.3
129.06873	0.1
131.04959	0.1
131.08542	0.2
133.02811	0.2
133.10143	0.2
134.61282	0.1
137.02248	0.2
137.05923	0.1
143.40663	0.1
145.10074	0.2
147.04390	100.0
148.04778	0.8
153.01810	1.7
157.06352	0.1
157.10165	0.2
165.01816	0.9
165.05478	1.1
167.06996	0.2
168.95006	0.1
175.11211	0.1
177.05327	0.2
183.02850	0.5
185.05957	0.2
213.05440	0.7
229.04866	0.2
231.06511	0.3
241.04953	0.3
249.07603	0.2
258.05179	0.6
287.05444	52.6
288.05798	0.8
291.08603	1.7
309.09628	4.3
329.06436	0.2
398.18039	0.1
449.10641	4.0
471.14978	0.2
579.82990	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	756.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.2
56.05028	0.6
58.06591	0.2
59.99398	0.1
60.08153	9.9
61.90635	0.1
62.77892	0.1
67.05486	0.5
69.07048	0.2
70.06561	0.1
71.07361	4.9
79.05494	0.4
80.45889	0.1
81.07060	0.5
86.09692	49.3
91.05479	0.2
92.08659	0.4
92.09280	0.7
93.07011	0.3
95.08569	0.3
98.98442	4.9
104.10719	3.0
105.06993	0.3
107.08570	0.2
116.99520	0.2
124.99982	37.6
143.00986	0.9
184.07310	100.0
184.21791	0.1
185.07715	0.2
206.86090	0.1
306.27634	0.2
496.34027	0.2
698.20819	0.2
756.55371	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	756.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	5.9
53.03929	3.7
55.01859	7.1
55.05503	33.4
57.03173	1.2
57.03428	21.3
57.07061	3.2
59.04987	3.7
60.08155	0.7
61.02908	7.4
65.03939	1.1
67.05488	66.2
69.03419	4.7
69.07049	13.5
71.01330	2.7
71.04972	3.5
71.08595	1.0
73.02884	3.4
77.03899	0.8
77.17822	0.7
79.05472	47.2
81.03398	10.6
81.07037	72.0
83.04956	4.2
83.08600	22.0
85.02892	7.4
85.06516	3.2
86.09680	4.3
91.03950	1.4
91.05457	45.6
91.73194	0.7
92.09093	5.7
93.07020	61.1
95.04945	13.1
95.08580	49.8
97.02853	9.4
97.06519	5.5
97.10131	4.6
99.00788	31.6
99.04445	0.8
99.08068	1.2
103.05428	2.4
105.04532	0.9
105.07005	37.6
107.04930	11.3
107.08569	31.6
109.02861	17.6
109.06491	6.4
109.10132	22.8
111.04436	1.2
111.08069	7.7
113.06027	0.9
115.03917	4.5
115.05433	1.0
117.06986	10.3
119.04916	1.3
119.08552	20.1
121.06478	9.8
121.10117	19.6
123.04403	2.4
123.08057	4.0
123.11655	8.6
124.99969	3.7
125.09669	0.8
127.03875	6.0
128.06215	1.0
129.06964	2.5
131.08531	11.4
133.06464	0.9
133.10097	57.3
135.08011	1.6
135.11681	13.7
137.05962	3.7
137.09584	3.4
139.07507	4.8
143.08539	8.8
145.10094	7.9
147.08025	1.3
147.11636	5.1
149.09625	1.6
149.13245	7.5
151.11166	16.4
151.14763	0.9
153.06993	0.8
157.10101	1.3
159.11638	6.1
161.09569	27.2
161.13223	2.8
163.11102	2.8
163.14766	3.4
165.09137	0.9
171.08022	7.1
173.13213	5.6
175.11163	1.2
175.14760	1.6
179.10634	13.4
184.07329	7.6
187.14832	2.8
189.09081	10.5
197.11697	4.6
207.10143	3.2
211.13257	2.7
225.11171	16.7
237.16269	0.6
243.12218	3.2
243.20990	5.7
261.22073	16.6
269.35046	0.8
277.21573	1.0
281.13788	4.6
285.16666	1.4
299.14825	100.0
309.77246	0.7
315.23138	3.5
317.24716	2.6
335.25717	81.8
336.26105	0.9
381.81223	0.7
382.29645	0.7
422.48486	0.7
449.30014	1.6
467.31339	6.1
485.32471	3.9
513.35809	2.2
515.36938	1.3
531.36572	3.2
541.35217	12.4
545.37982	4.4
559.36145	40.1
577.36884	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	756.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	4.6
53.03933	5.8
55.01859	5.9
55.05504	34.0
57.03174	1.4
57.03428	25.0
57.07063	3.7
59.04991	2.1
61.02913	7.7
61.74464	0.8
65.03918	1.9
65.74238	0.9
67.05490	74.7
69.03403	4.1
69.07051	18.3
71.01337	1.5
71.04961	2.2
73.02911	4.0
79.05472	54.4
81.03406	8.3
81.07035	83.9
83.04960	4.9
83.08600	20.4
85.02879	7.1
85.06523	3.8
86.09694	1.7
88.99674	0.9
91.03922	1.2
91.05458	45.4
91.90340	0.9
92.08995	7.0
93.07018	72.1
95.04938	11.0
95.08584	53.8
97.02872	9.6
97.06520	4.5
97.10140	4.6
99.00789	28.7
101.61163	1.1
105.07011	35.3
107.04918	6.6
107.08570	37.4
109.02856	17.3
109.06509	5.3
109.10125	25.1
111.08052	4.9
111.08868	0.9
115.03914	4.8
117.07003	11.1
119.08564	24.7
121.06463	10.0
121.10108	20.2
123.04372	1.3
123.08081	1.9
123.11676	9.1
124.99982	1.2
127.03898	6.5
128.06235	1.3
129.06946	1.3
131.08527	16.3
133.06485	1.7
133.10101	63.7
135.11667	16.5
137.05949	1.7
137.09604	1.3
137.13226	1.1
139.07518	4.5
143.08534	8.1
145.10112	7.8
146.07233	1.4
147.08012	1.4
147.11652	5.9
149.13219	7.2
151.11165	16.4
159.11603	6.9
161.09583	24.7
161.13251	4.3
163.11095	1.5
163.14827	3.7
171.07991	5.1
173.13234	5.3
179.10625	11.1
184.07338	4.8
187.14670	1.7
189.09016	9.1
191.14156	1.0
192.09869	1.0
197.11668	1.9
207.10118	4.8
225.11185	13.0
232.87068	1.1
233.22583	1.2
243.12247	1.5
243.21033	4.9
244.03853	1.0
261.22058	19.5
281.13834	1.8
299.14825	83.8
315.23120	1.8
317.24765	4.5
335.25717	100.0
351.30222	1.0
422.20703	1.0
467.31320	5.6
485.32376	1.8
513.35602	1.9
531.36682	1.5
541.35382	10.0
559.36145	60.4
567.57758	1.1
615.97778	1.0
630.46985	1.0
746.09692	1.0
771.64801	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.7
53.03722	0.9
53.03935	6.4
54.52949	0.6
54.81630	0.9
54.81893	0.6
55.01865	19.4
55.05506	24.7
57.03175	1.4
57.03430	18.1
57.62764	0.8
58.22804	0.8
58.33964	0.7
61.02895	1.2
65.03949	0.8
67.05492	48.5
69.03405	4.3
69.07053	34.6
71.04974	5.5
73.06528	1.2
79.05475	46.9
81.03400	52.1
81.07037	64.5
83.04969	16.8
83.08609	18.2
85.02890	24.1
85.06507	2.9
87.71520	0.9
91.05461	73.6
92.09065	3.9
93.07022	43.8
93.46777	0.8
95.01310	12.8
95.04946	26.2
95.08002	1.7
95.08583	39.0
97.02866	2.0
97.06512	26.4
97.10135	5.3
99.08048	1.9
103.05428	0.9
105.07013	95.5
107.04937	25.0
107.05619	1.3
107.08579	19.6
109.02876	0.7
109.06506	7.0
109.10128	8.5
111.04439	3.1
111.08060	7.3
113.06010	1.2
115.05448	1.8
116.06230	1.3
116.65987	0.8
117.06979	14.5
117.07625	0.8
119.08559	55.8
121.06480	3.8
121.10118	12.6
123.04405	2.0
123.08023	6.3
123.11703	3.1
125.09615	1.9
129.06981	12.1
131.08539	26.6
133.06458	2.0
133.10104	48.2
135.08023	4.2
135.11691	5.4
137.09586	3.8
141.06960	1.4
142.07773	1.8
143.08543	3.3
145.06477	3.8
145.10110	17.5
147.08047	1.4
147.11658	24.8
149.09634	10.4
149.13237	4.1
149.21426	0.9
151.11162	1.1
155.08549	1.6
157.10092	13.4
159.11662	7.5
159.95865	0.8
161.13191	6.2
163.11160	4.6
165.09149	1.3
165.12759	1.4
171.11719	1.3
173.13148	1.3
175.11151	10.5
177.12735	3.3
179.14220	9.7
187.11189	1.8
193.12204	23.6
196.04422	0.8
205.12259	0.9
211.13272	22.7
257.19012	3.6
267.15872	28.0
275.20010	47.7
279.15900	1.0
280.55862	0.8
285.16891	55.1
285.20047	1.9
293.21164	1.8
349.23679	28.1
383.24985	0.9
541.35181	63.0
542.35492	3.3
559.36194	100.0
560.36377	1.8
577.37189	1.4
586.27789	0.9
772.00916	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89617	2.5
53.03921	3.3
55.01864	23.4
55.05500	43.4
57.03432	31.0
57.07058	4.1
61.02914	11.0
64.32822	2.5
67.05487	56.9
69.07052	29.2
71.04964	5.2
74.82943	2.4
79.05469	83.8
81.03393	26.6
81.06588	4.6
81.07034	73.7
83.01327	13.5
83.04951	22.3
83.08606	24.2
85.02872	12.5
85.06530	3.5
86.09694	6.0
91.05457	94.7
93.07019	90.8
95.04943	22.8
95.08583	50.4
97.06508	12.6
97.10128	5.0
104.77399	2.6
105.07008	100.0
107.04905	20.4
107.08568	44.9
109.02750	2.7
109.06503	14.0
109.10141	14.4
111.08083	3.7
117.06973	30.1
119.08554	74.0
121.06470	3.0
121.10104	28.0
123.08018	13.0
124.99992	11.8
125.06020	3.0
125.09578	3.2
128.06113	3.5
129.06964	21.1
131.08525	38.2
133.10103	60.6
135.08046	4.5
135.11682	28.7
143.08559	22.6
145.10097	41.8
147.11659	37.5
149.09590	4.6
149.13245	3.5
155.08514	4.1
157.10077	12.2
159.11647	28.5
161.13203	17.9
163.11113	28.5
164.37538	2.5
169.10043	5.4
171.11658	15.7
173.13222	13.4
175.11185	3.2
175.14737	3.6
179.14249	3.7
184.07339	23.3
185.13156	5.0
193.12213	10.7
199.14825	5.0
209.30872	3.2
227.12735	11.5
231.20975	3.6
241.19415	14.7
243.80899	2.7
257.18985	4.3
259.20508	53.3
275.19910	4.5
283.15308	46.2
284.29309	3.2
297.22275	3.5
304.56512	2.8
315.23041	6.3
333.24136	34.9
349.23709	4.0
371.69635	2.8
371.74753	3.3
449.30304	3.1
523.34235	3.7
541.35095	96.4
558.35132	3.6
559.35980	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	756.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01863	16.1
55.05502	22.6
57.03425	11.8
57.07061	1.4
65.03914	1.3
66.08539	0.8
67.05141	1.9
67.05489	39.2
67.05848	1.3
69.03400	2.3
69.07056	30.4
71.04969	5.2
79.05474	41.0
81.03394	36.0
81.07039	60.6
81.62385	1.0
83.04966	14.4
83.08588	14.6
85.02889	16.5
85.06531	2.0
91.05459	71.6
92.09087	1.3
93.06420	1.4
93.07019	37.8
95.01301	10.7
95.04945	20.5
95.08583	34.8
97.02900	1.7
97.06516	22.1
97.10162	3.8
99.08058	1.2
103.05477	1.6
105.07011	97.8
107.04939	19.5
107.08566	17.2
109.06519	6.6
109.10121	8.9
111.08047	6.9
113.05959	1.7
115.05412	1.2
117.06994	17.0
118.74957	0.8
119.07711	2.0
119.08556	48.1
121.06483	2.0
121.10107	12.5
123.04373	1.6
123.08044	5.9
123.11648	2.3
125.09612	1.0
129.06990	9.1
131.08553	29.1
133.06473	1.7
133.10109	43.4
135.08041	3.8
135.11642	7.8
137.09608	1.9
141.06932	1.7
142.07797	2.0
143.08510	3.7
145.06425	1.7
145.10100	15.1
147.08057	1.8
147.11673	20.4
149.09624	10.4
149.13237	2.3
151.11232	1.3
155.08517	1.4
157.10091	8.9
159.11665	10.2
161.13240	4.8
163.11142	3.9
165.08994	1.3
165.12762	1.1
169.10100	1.5
171.11768	1.4
173.13199	1.5
174.62584	1.0
175.11176	6.4
177.12660	1.8
179.14275	13.1
183.11693	1.2
184.07254	2.0
187.11198	1.7
193.12202	12.3
211.13179	9.7
219.17390	8.6
229.19528	1.2
239.18013	1.3
257.19003	1.8
267.15866	11.3
275.16998	1.9
275.19995	49.9
279.15775	1.7
285.16898	16.6
293.21158	1.7
349.23633	26.9
541.35162	49.5
559.36200	100.0
560.36029	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01850	5.4
55.05504	22.6
57.03427	13.3
59.06096	1.2
61.58353	0.7
61.66195	0.7
65.03909	1.0
67.05487	27.0
69.03403	4.2
69.07047	8.0
71.04973	6.4
74.76001	0.7
79.05473	31.3
81.03397	71.0
81.06588	1.5
81.07034	24.8
83.04961	6.3
83.08601	23.1
85.02883	0.8
85.06520	3.5
90.43207	0.7
91.05455	24.6
92.08761	4.0
92.09386	2.7
93.07021	26.1
95.04942	30.4
95.08575	12.7
96.68766	0.8
97.02854	1.5
97.06506	5.0
97.10149	21.2
99.04433	0.9
99.08017	0.8
105.03363	1.4
105.07010	21.8
107.04944	18.6
107.08575	16.3
109.05894	0.9
109.06495	13.2
109.10122	8.5
111.04425	1.8
111.08051	6.3
111.38956	0.9
113.05975	0.8
115.05382	0.9
117.06983	7.0
119.08568	14.3
121.06464	14.7
121.10128	11.8
123.04363	1.3
123.08038	5.6
123.11659	1.7
125.06002	1.0
125.09605	21.6
129.06972	10.8
130.89296	0.8
131.04889	1.8
131.08543	13.5
133.06442	6.7
133.10095	7.8
135.04430	1.0
135.08043	8.2
135.11667	1.5
137.09532	0.8
139.11105	1.1
141.06943	1.4
142.07764	1.9
143.08521	4.2
145.06444	9.4
145.10118	6.5
147.04407	2.0
147.08055	8.0
147.11665	8.5
149.09572	5.7
153.09064	4.2
153.12770	0.9
155.08521	4.3
157.10106	9.0
159.07990	4.5
159.11607	3.9
161.05930	1.3
161.09586	1.3
163.07381	0.8
163.11147	5.2
165.12717	1.4
167.10590	1.1
169.06406	1.1
169.10037	3.5
171.08034	3.2
171.10207	1.0
171.11632	3.1
173.09564	3.1
173.13181	1.5
175.11102	10.4
177.05386	1.2
177.12662	1.3
183.11581	0.9
185.09543	3.2
185.13324	1.2
187.11095	1.1
187.14792	1.6
189.09468	1.1
189.11150	8.7
189.12735	3.5
191.14291	3.3
193.12198	24.7
193.39380	0.9
195.11652	1.8
197.09610	1.4
197.13187	1.9
199.11128	1.8
199.13115	1.7
201.12773	1.1
203.14348	1.2
205.12154	1.8
211.11072	0.9
211.13097	1.3
213.12686	1.6
215.14246	2.0
217.12074	1.4
219.13806	3.6
220.10339	0.8
223.11159	1.0
223.13194	1.5
225.12653	1.2
227.12598	1.5
233.15273	4.0
235.13380	1.7
237.12646	1.2
239.14052	0.9
241.12001	1.5
245.15248	1.5
249.14818	2.0
255.13797	3.4
257.15182	1.4
259.13263	1.8
267.15842	42.0
273.14801	9.3
287.16373	1.0
293.17636	0.9
318.46100	1.0
321.63010	0.9
339.23102	3.7
349.21552	6.4
357.24100	4.8
367.22601	17.1
385.23651	29.1
386.23914	1.0
403.24832	9.2
441.26349	10.0
459.27310	99.6
460.27780	3.6
477.28372	100.0
478.28571	3.1
491.30014	12.8
501.28561	1.3
509.31219	6.0
541.33771	1.5
567.29218	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.9
55.05490	4.1
57.07051	2.9
59.33952	1.8
61.02905	3.9
67.05475	11.5
69.03407	2.6
69.07036	4.2
73.02909	3.0
75.68407	2.0
79.05472	4.6
81.07023	12.0
83.08604	3.5
85.02881	4.0
85.10110	2.1
91.05434	3.7
91.70411	2.1
92.08787	3.4
92.63895	2.4
93.07002	5.0
95.08559	12.9
97.02886	2.5
98.06039	2.1
99.04440	2.8
100.24207	2.3
107.08585	3.9
111.04430	2.6
112.71388	1.9
117.07046	2.2
119.08509	2.6
121.10137	2.7
127.90409	2.0
132.65599	2.2
145.10025	2.5
181.12157	2.4
281.13571	10.6
306.27820	8.6
307.27829	2.9
497.30566	3.9
499.21320	13.2
755.45325	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	755.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
53.04142	0.2
55.01843	0.3
55.05500	2.7
57.03417	1.1
63.02359	0.3
64.22816	0.2
67.05486	1.3
69.03412	4.0
69.07053	1.3
71.04982	0.4
73.02884	0.3
73.86119	0.3
79.05465	3.5
81.03394	10.4
81.07030	3.5
83.08619	0.3
85.02889	4.4
85.06523	0.4
89.03902	5.5
91.05445	2.4
93.07015	2.3
95.04939	3.4
95.08593	1.8
97.02869	3.9
97.06529	0.5
97.10139	3.7
98.10450	0.3
99.04414	1.7
105.03369	37.0
105.07014	1.6
106.03648	0.3
107.04945	1.4
107.08581	1.7
109.02857	5.2
109.06505	1.1
109.10129	1.8
110.67419	0.2
111.04408	0.4
117.03351	21.4
117.06998	0.3
118.03697	0.4
119.04930	1.7
119.08575	2.1
121.06478	0.5
121.10117	1.7
123.04388	3.3
123.07989	0.6
123.11641	0.3
125.09582	1.4
127.03876	3.2
127.07505	0.4
131.08525	1.3
133.10101	0.6
134.03548	0.6
135.04376	9.2
135.11641	1.0
136.04730	0.6
136.61104	0.2
137.05928	0.4
137.09628	0.4
137.98462	0.3
143.10721	0.4
145.02820	66.8
145.10057	0.6
146.03162	1.2
147.04387	5.0
147.11688	1.2
149.05945	7.8
149.09506	0.4
149.13185	0.5
151.07494	0.3
151.11142	0.3
157.10136	0.3
158.05988	1.6
159.11668	0.9
161.09534	0.5
162.03117	1.2
163.03868	34.6
163.11172	1.0
164.04195	5.5
167.07079	0.4
167.08458	0.3
173.13145	0.3
177.05423	100.0
178.05774	1.1
181.12158	0.3
186.05484	0.5
187.14745	0.3
191.10616	0.3
195.06465	1.6
195.13766	0.5
205.22847	0.3
249.07503	4.9
267.08557	3.9
301.21631	0.3
309.76883	0.3
321.09543	3.7
329.21124	0.4
339.10672	6.6
347.21924	1.1
365.23090	0.4
400.13669	1.1
443.13147	0.5
473.23773	0.3
521.20099	0.5
521.27264	0.5
522.27722	0.4
539.27838	0.3
719.31750	1.1
720.32153	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01867	0.4
55.05509	0.3
57.03424	1.2
59.05001	0.2
61.60909	0.2
63.02357	0.2
63.90149	0.2
67.05480	0.4
67.72126	0.2
67.97200	0.2
69.03413	6.0
71.04973	0.9
73.02911	0.2
77.03911	0.2
79.05473	3.8
81.03398	14.7
81.07059	0.3
83.04961	0.3
83.08594	0.2
85.02889	4.1
85.06556	0.2
85.72044	0.2
89.03889	4.5
89.30048	0.2
91.05457	1.3
92.08984	1.6
93.07024	0.9
95.04944	6.0
95.08628	0.3
97.02869	7.2
99.04452	1.8
103.05488	0.3
105.03370	69.0
105.06977	0.8
106.03666	0.3
107.08595	0.4
108.04465	1.0
109.02859	6.1
109.06517	0.2
109.10155	0.4
111.08165	0.2
117.03355	16.8
119.04907	0.3
119.08575	0.3
121.10111	0.3
123.04401	4.9
127.03889	3.5
131.04904	0.2
134.03592	0.7
135.04405	1.8
145.02824	58.5
145.10118	0.3
146.03143	0.3
147.04370	0.2
149.05954	6.5
157.10121	0.2
158.05957	1.0
162.03177	0.2
163.03864	0.4
167.06952	0.4
177.05428	100.0
178.05820	0.3
186.02423	0.2
186.05392	0.4
188.29010	0.2
194.65173	0.2
195.06479	1.2
231.06541	0.3
249.07512	8.8
252.77139	0.2
260.51376	0.2
267.06366	0.2
267.08588	3.5
321.09613	1.1
339.10764	2.0
394.93613	0.2
400.13776	0.8
454.89127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.9
55.01869	2.8
55.05505	41.1
57.03426	21.4
57.07065	8.4
60.08145	7.1
60.10191	1.0
61.02918	9.8
65.03925	5.4
67.05489	100.0
68.05822	1.3
69.03408	5.8
69.07050	25.7
71.04967	6.0
71.07314	1.3
73.02918	1.8
76.55166	1.2
79.05472	66.1
81.03403	10.7
81.07037	79.2
82.07388	1.3
83.04964	8.2
83.08595	14.4
85.02892	11.8
85.06516	1.9
86.09688	25.6
87.43208	1.1
91.03915	2.1
91.05462	39.4
91.25736	1.1
92.09108	5.0
93.07021	67.4
95.04943	21.4
95.08586	47.8
95.09194	1.8
97.02877	5.9
97.06510	8.0
97.10163	11.9
98.98413	1.6
99.04447	1.5
105.07007	23.7
107.04926	9.7
107.08575	39.3
107.74091	1.3
108.08933	1.6
109.02802	1.1
109.06489	7.7
109.09465	2.0
109.10148	30.1
111.08076	1.8
117.06993	19.3
119.08556	19.5
121.06507	2.5
121.10114	22.6
123.07993	1.9
123.11692	6.4
124.99979	15.3
125.09573	9.2
127.03864	1.4
129.06964	1.9
131.08540	17.7
133.10112	12.8
135.08055	2.4
135.11676	12.6
143.08530	2.6
145.10109	12.2
147.11664	4.7
149.13225	7.6
159.11633	8.7
161.13171	1.4
169.10101	1.7
173.13258	6.1
179.18791	1.3
183.80673	1.2
184.07307	68.4
187.11070	1.9
187.14748	1.4
189.11159	4.6
205.12251	1.6
211.26382	1.4
212.07138	1.5
223.13245	31.8
227.12685	5.3
229.14331	2.2
261.22064	9.1
296.18457	6.2
297.16827	33.6
303.57169	1.1
313.27271	2.4
335.25702	59.1
336.26068	5.6
489.35382	5.1
539.38025	1.8
557.38257	45.3
575.40363	1.4
650.43756	5.2
754.47473	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	754.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97720	0.9
53.03949	2.3
54.30994	1.0
55.01860	8.0
55.05309	1.0
55.05508	16.6
57.03424	2.8
57.07081	1.3
67.05491	20.8
69.07060	19.5
79.05479	26.2
81.03401	9.4
81.06594	1.9
81.07043	38.5
83.04961	6.7
83.08615	8.6
85.02903	1.4
91.04894	1.3
91.05464	37.3
93.07030	25.8
95.01314	6.1
95.04954	10.7
95.08595	22.2
97.06514	14.0
105.07019	46.2
107.04931	10.1
107.08566	16.3
109.06477	6.9
109.10147	5.6
111.04446	1.6
117.07005	11.4
119.08558	24.7
121.06506	1.7
121.10131	6.7
123.08041	5.6
129.07011	1.3
131.08554	13.4
133.10118	26.3
135.08018	1.6
135.11687	6.5
137.09557	1.8
138.53001	1.1
143.08514	1.4
145.10143	11.3
147.08067	1.4
147.11702	9.7
148.97629	1.2
149.09631	5.0
155.08481	1.2
159.11676	6.6
161.13268	2.8
163.11177	8.0
173.09589	1.2
173.13348	1.3
179.14258	6.4
187.11218	1.4
209.11690	1.7
219.17462	1.5
257.18878	1.9
275.20044	27.1
283.15353	15.0
349.23663	12.2
539.33752	2.1
557.34674	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	754.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
54.32299	0.5
55.01863	12.6
55.05505	10.7
57.03174	1.1
57.03428	17.6
59.04995	0.8
59.23951	0.5
67.05492	28.0
68.54282	0.6
69.03412	2.4
69.07054	7.2
71.04980	4.5
72.22763	0.6
73.02910	0.7
79.05475	20.2
81.03399	84.4
81.07038	25.0
82.94694	0.6
83.04967	26.9
83.08601	20.5
85.02879	4.0
85.06522	3.3
86.09719	0.7
87.04459	2.4
89.95612	0.5
91.05469	20.9
91.05999	0.9
92.09142	3.8
93.07025	26.5
95.04942	28.3
95.08588	7.1
97.02871	2.7
97.06519	7.4
97.10153	2.7
99.04447	6.5
99.08086	3.0
101.06045	0.6
103.05377	0.7
105.03360	1.3
105.07007	16.7
107.04942	8.7
107.08582	16.5
109.02847	0.9
109.06487	4.5
109.10137	11.4
111.04428	64.5
111.08061	25.9
114.24010	0.7
115.03914	9.4
115.05430	1.0
117.06984	5.6
119.04844	1.1
119.08562	23.7
119.30251	0.6
121.06492	6.2
121.10116	25.9
123.08087	1.1
123.11700	0.7
125.05963	4.0
125.09570	0.8
127.03922	0.6
129.05481	1.2
129.06981	11.5
131.08539	15.2
133.06471	3.6
133.10114	6.8
135.08049	2.6
135.11671	19.9
137.09561	1.2
139.07469	0.9
142.07747	2.9
145.06410	0.8
145.10106	21.3
147.07996	3.2
147.11653	11.0
149.09615	11.4
151.11096	0.9
153.12723	32.0
153.13966	1.3
155.08549	2.8
157.10080	9.0
159.11595	0.6
161.09570	0.8
163.03853	0.6
163.11156	47.7
164.11623	0.7
165.12674	1.4
173.09560	9.1
175.11160	9.4
177.05431	1.0
181.12202	44.9
191.10646	40.7
193.12216	22.2
195.13930	0.7
199.13335	0.7
209.11699	15.3
211.13200	1.2
221.13155	0.6
223.13316	0.8
227.12744	33.3
241.14339	3.1
249.14804	1.3
267.15857	100.0
283.15399	13.9
315.17963	66.7
364.44366	0.6
383.22073	0.6
475.26968	6.5
493.27853	21.5
498.52161	0.7
507.29453	94.5
508.29434	2.4
778.92145	0.7
787.64148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79077	0.3
54.19809	0.3
57.03391	0.4
57.07044	0.4
58.12588	0.3
60.07861	0.4
60.08147	8.0
67.05479	0.6
69.07036	0.7
71.07349	3.6
79.05457	0.9
81.07029	1.9
86.09683	42.0
87.33625	0.4
90.25314	0.4
91.05450	0.6
93.06996	1.9
95.04889	0.5
95.08565	0.7
98.98435	3.3
104.10737	3.1
105.06965	0.4
109.10111	0.4
119.08501	0.6
124.99968	28.2
133.10048	0.5
135.86034	0.5
143.01060	0.4
146.49026	0.4
147.11722	0.4
173.40564	0.4
184.07292	100.0
185.07584	0.6
250.01511	0.4
304.26160	2.2
321.43253	0.4
327.28683	0.5
335.25626	0.5
369.22211	0.4
702.46899	11.4
752.51941	1.5
764.08295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	1.1
53.03930	1.1
55.01861	1.1
55.05507	10.4
55.28535	0.7
56.26819	0.7
57.03429	22.1
57.07068	45.8
59.74672	0.9
61.02900	1.0
67.05492	20.1
69.03412	2.3
69.07047	8.8
70.05624	0.9
71.04976	1.0
71.08246	1.6
71.08614	32.8
73.83716	1.0
79.05473	13.4
81.03400	100.0
81.07038	25.7
81.07475	0.9
83.04958	4.7
83.08605	24.5
85.02936	1.1
85.10165	20.0
86.09699	5.5
89.06008	1.2
91.05461	18.6
92.08990	6.6
93.07025	10.8
95.04951	27.3
95.07997	2.0
95.08588	28.9
97.02866	2.3
97.06489	3.6
97.10152	9.4
105.07009	14.9
107.04942	6.6
107.08580	5.4
109.06532	3.9
109.10157	10.6
111.08076	8.0
117.06988	1.2
119.08544	11.8
121.06467	2.0
121.10115	6.0
123.08058	1.5
123.11686	4.7
124.99990	1.9
125.09663	1.4
129.06952	8.4
131.08540	9.8
133.06476	2.3
133.10133	4.6
135.11667	1.4
137.09656	1.1
142.07774	1.5
145.10103	1.5
147.08060	4.2
147.11665	7.3
149.09601	5.0
157.10130	12.1
163.11069	1.2
165.12729	1.2
171.11789	1.0
175.11200	8.5
177.19289	0.9
177.21635	1.0
184.07317	8.7
185.07613	1.5
193.12225	30.6
225.90074	1.0
231.91791	0.9
239.23589	1.8
249.14752	1.2
257.24734	3.8
261.30426	0.9
267.15857	98.1
285.16977	0.9
309.17020	1.3
313.27316	96.9
333.95300	1.1
341.23087	1.0
475.96829	1.0
505.38779	84.2
547.39063	1.4
593.45471	1.4
752.51050	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03713	0.3
53.03934	5.0
55.01844	0.2
55.05490	1.1
55.27366	0.2
57.03424	3.0
58.46953	0.2
59.49720	0.2
61.02898	0.4
62.33515	0.2
66.25703	0.2
67.01848	1.2
67.05486	1.0
69.03412	8.4
69.07045	1.4
71.04970	0.9
78.98216	0.2
79.05482	0.3
81.03394	35.0
81.07024	1.4
83.08605	0.6
85.02884	1.1
92.08794	0.5
93.07009	1.0
95.08568	1.6
97.02866	13.8
97.03497	0.5
97.10165	0.3
99.04426	2.5
103.03953	0.4
105.07006	0.4
107.08578	0.9
109.02857	100.0
109.10122	0.4
117.05437	1.8
119.08576	0.5
123.11683	0.3
127.03886	19.2
130.29710	0.2
131.18456	0.2
133.10110	0.4
139.03864	3.0
159.06493	24.4
169.04916	12.5
184.07300	0.2
187.05888	1.6
229.07021	6.8
253.21660	0.4
271.22580	0.4
289.09100	1.7
291.45636	0.2
300.73138	0.2
320.12814	0.3
369.26233	1.3
411.27283	0.2
447.29694	0.3
462.59329	0.3
462.66174	0.2
475.99512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.4
56.74148	0.2
57.07055	0.3
60.08157	6.5
64.33813	0.3
67.05488	0.7
69.07047	0.6
71.07358	4.6
76.56624	0.3
79.05470	0.4
81.03397	0.4
81.06993	0.5
86.09689	45.6
91.05457	0.5
92.08662	0.9
92.09277	1.2
93.07027	0.3
94.85181	0.3
95.08587	0.7
98.98444	3.0
104.10732	3.2
113.86921	0.3
121.20512	0.3
123.08130	0.3
124.99977	30.1
128.68732	0.3
130.02213	0.3
136.00163	0.3
146.98117	0.8
184.07303	100.0
446.13492	0.3
446.20151	0.3
569.37604	1.7
693.36761	1.4
716.48425	12.3
752.44958	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	752.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.8
53.03930	1.7
53.57684	0.6
53.99573	0.6
54.81642	0.8
55.01860	7.2
55.05504	17.9
57.03429	19.3
57.07042	0.8
59.05004	2.8
61.02914	1.2
62.79125	0.6
65.03933	1.1
67.05137	1.6
67.05492	41.1
69.03416	4.5
69.07053	5.1
71.04967	7.4
73.02905	0.8
79.05472	25.6
81.03398	100.0
81.07035	34.0
82.63119	0.6
83.04961	10.9
83.08604	26.5
85.02888	20.4
85.06518	3.5
91.05458	50.0
91.14429	0.7
93.07016	25.8
94.52823	0.7
95.04948	32.6
95.08598	10.7
97.02850	11.2
97.06516	3.8
97.10138	6.9
103.05446	1.5
105.03423	1.1
105.07013	34.8
107.04945	14.7
107.08571	14.4
109.02860	13.5
109.06505	9.3
109.10142	26.7
109.10848	1.2
111.04432	4.8
111.08067	13.6
113.02344	35.7
113.03097	1.5
113.05971	1.5
115.05433	1.4
117.07006	4.7
119.04923	2.9
119.08556	29.5
121.02812	0.8
121.06477	10.3
121.10109	9.6
123.04377	1.3
123.08035	1.6
123.11682	3.3
125.09570	5.9
127.03935	1.1
128.06213	3.5
129.05452	3.6
129.06958	12.9
131.08551	12.7
133.06505	6.3
133.10103	63.0
135.08061	4.0
135.11685	1.4
137.06009	1.4
137.09618	5.8
142.07771	3.5
143.08559	8.2
145.06497	1.0
145.10103	1.7
147.04417	1.5
147.08087	6.3
147.11671	10.3
149.09590	7.4
151.11163	18.8
153.09067	1.8
157.10106	13.0
159.08034	1.1
161.09587	30.0
163.07486	0.9
163.11125	3.7
165.12692	1.7
171.08049	5.1
173.11690	1.7
173.13147	1.0
175.11163	13.0
179.10637	31.4
189.09111	11.9
189.11208	3.6
193.12202	30.8
201.12807	0.9
205.12184	1.4
207.10094	13.3
211.13214	12.8
219.13910	7.7
225.11169	5.3
227.12820	1.5
239.12814	3.2
249.14912	1.2
267.15851	79.3
285.16971	4.8
313.16388	49.6
341.79010	0.8
345.18967	4.8
353.21182	1.1
371.21964	1.7
389.23123	1.5
399.21649	1.1
417.22592	1.7
421.25760	4.7
431.23880	1.1
434.44537	0.8
439.26874	17.8
445.25839	4.7
463.26791	3.8
473.25232	15.1
491.26303	23.0
505.27853	72.6
523.28906	16.7
546.76715	0.9
555.31628	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	751.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93074	1.4
55.05503	6.7
57.03414	2.5
57.07066	2.8
57.12155	1.3
61.02908	3.7
67.05473	3.8
69.03402	2.1
69.07053	2.6
73.02896	2.5
81.03410	3.5
81.07047	6.7
83.04953	1.6
83.08559	2.3
85.02890	8.9
86.09689	7.2
87.04417	3.2
91.03944	2.0
91.05460	3.7
92.09138	12.3
93.07021	2.5
95.04978	2.1
95.08593	7.2
97.02850	3.5
99.04411	1.8
105.07055	2.3
105.64703	1.6
119.08549	2.4
121.10142	1.9
125.00014	6.4
127.03926	2.2
184.07321	15.1
185.07732	2.2
243.08479	1.8
335.11160	2.1
469.20447	10.2
523.32166	3.3
657.71490	1.6
751.45789	100.0
752.45874	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	18.3
54.81401	1.3
55.05499	7.3
57.03426	16.0
57.07063	1.5
57.26022	1.4
61.02920	5.7
62.52836	1.3
67.01849	2.4
67.05488	9.5
69.03404	8.6
69.07063	11.1
71.04964	2.4
79.05442	2.5
81.03413	28.2
81.07042	13.7
83.08607	1.9
85.02882	8.0
86.09693	2.0
91.05509	2.0
95.08592	15.8
97.02888	16.6
97.10146	3.0
99.04450	8.2
99.08052	1.6
103.03963	1.7
105.07044	2.9
107.08577	3.4
109.02869	41.3
109.10136	6.8
117.05466	6.3
119.08604	2.4
121.10096	2.7
123.08181	1.6
123.11729	3.6
127.03900	24.9
135.11681	6.1
142.16719	1.3
159.06502	100.0
173.70891	1.6
173.86787	1.6
184.07317	5.9
187.05997	8.3
189.05489	1.5
202.25874	1.4
247.08067	3.0
253.21376	1.7
271.22708	2.6
313.23383	2.8
411.27231	2.7
476.77542	1.5
523.77856	1.8
579.53802	1.6
590.12689	1.9
603.59070	1.8
771.62543	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.6
54.81734	1.2
55.01870	7.8
55.03278	1.3
55.05504	23.6
56.05020	1.8
57.03428	28.8
57.07054	1.8
58.42459	1.2
62.49025	1.3
65.03931	1.8
67.05488	33.4
69.03415	6.1
69.07053	13.1
69.76855	1.2
71.04977	5.5
76.38993	1.2
79.05473	41.7
80.04998	3.1
81.03397	100.0
81.07035	47.1
83.04952	10.6
83.08605	26.2
85.02897	9.6
85.06540	2.4
91.05459	66.0
92.05000	2.5
92.08920	1.4
93.07024	35.4
94.06517	1.7
95.04948	35.9
95.08585	21.8
97.02862	6.1
97.06494	10.2
97.10153	8.1
99.08036	1.5
102.05491	2.1
103.05456	1.8
105.03388	7.1
105.07005	38.6
106.06543	9.0
107.04934	16.5
107.08571	14.5
108.04458	1.6
109.02835	2.6
109.06521	11.4
109.10143	9.5
111.04396	2.5
111.08064	8.0
115.05437	5.8
116.04953	2.1
117.05759	3.0
117.07003	8.0
118.06524	35.6
119.04899	2.6
119.08552	31.3
120.08084	2.1
121.06489	9.4
121.10111	15.6
123.04430	2.9
123.08042	6.3
123.11690	2.1
125.09622	3.0
127.03861	1.5
129.06984	27.4
130.06509	8.0
131.04935	1.8
131.07564	2.4
131.08521	21.9
132.04416	1.8
132.08112	2.6
133.06474	7.7
133.10104	20.5
134.05960	1.4
135.11670	2.4
136.07463	1.5
137.05959	2.9
137.09631	5.4
141.06989	3.1
142.06551	2.7
142.07755	8.6
143.07326	2.6
143.08539	8.4
144.08076	2.8
145.06519	10.5
145.10117	6.7
146.05995	3.3
147.04384	3.4
147.08057	9.2
147.11668	23.8
149.09584	10.0
152.06137	2.0
155.08521	2.7
156.08064	12.8
157.06540	1.9
157.10100	33.9
158.05991	2.1
158.09618	6.2
159.07967	3.3
159.11691	1.8
160.11272	1.4
161.05974	2.2
161.09665	1.6
163.03905	2.1
163.11145	3.4
165.06989	2.0
165.12726	3.4
167.07068	2.7
167.08492	7.6
169.08862	5.5
169.10114	2.6
171.08057	2.0
172.07506	2.8
173.09581	1.4
174.08994	1.8
174.12733	6.4
175.11133	20.3
180.08073	1.5
181.10110	1.9
184.11192	18.3
185.09601	3.4
193.10403	2.3
193.12189	51.9
202.12189	13.5
211.13272	5.4
213.12691	1.6
220.13293	2.2
229.14311	2.1
231.13911	1.4
242.15318	1.8
255.13715	1.8
267.15854	89.9
273.14734	2.9
276.15994	17.7
282.14926	1.8
285.16724	2.0
287.16629	1.4
294.16925	19.8
312.17926	18.1
349.21310	2.4
366.24200	3.1
367.22687	2.5
376.22543	6.9
385.23868	2.3
394.23572	18.9
412.24866	11.1
441.26541	5.6
459.27353	16.7
468.27377	58.3
477.28546	3.0
486.28400	97.1
504.29468	60.8
565.06000	1.4
612.31067	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
54.82170	1.1
55.01867	5.0
55.05505	5.8
55.34433	1.0
55.99796	1.2
57.03418	6.8
57.07716	1.0
57.56584	1.0
60.74472	1.1
67.05505	11.9
69.03413	3.1
69.07050	2.5
69.65475	1.3
79.05468	12.4
81.03400	33.8
81.07040	12.5
83.04966	5.1
83.08614	7.2
85.02881	1.5
91.05443	14.2
93.07014	8.7
95.04938	11.8
95.08583	5.0
96.04522	1.4
97.02889	1.9
97.06470	1.7
97.19012	1.2
99.04451	1.7
105.03358	5.6
105.07021	10.2
107.04920	4.4
107.08597	6.2
109.02864	5.7
109.06514	2.0
109.10143	4.9
111.08064	1.6
117.03376	2.4
117.07018	1.8
118.06536	2.2
119.08573	8.1
121.06502	1.3
121.10152	6.5
122.06010	10.5
123.08088	2.0
123.11736	1.6
127.03922	2.1
129.07010	7.2
131.08536	10.3
131.21597	1.3
133.10146	8.1
137.05965	1.6
142.07806	1.6
145.02834	17.0
147.04437	2.1
147.07983	2.0
147.11725	6.7
149.05956	1.8
149.09631	2.3
157.10071	9.6
159.11671	1.6
163.11206	1.7
163.62018	1.4
175.11201	5.1
177.05424	24.3
191.03224	1.8
193.12195	13.9
199.03673	1.6
202.12263	1.3
209.04268	2.3
211.13309	2.8
226.49359	1.4
227.05370	2.1
251.05211	1.7
267.15839	33.7
269.06219	2.2
286.84930	1.4
287.07376	8.2
294.17026	4.9
311.07401	2.2
312.18079	7.4
330.96652	1.8
353.44318	1.3
403.09839	2.3
445.11145	2.0
463.12006	63.6
486.28464	11.5
504.29456	27.3
691.17609	1.5
705.75629	1.5
748.59924	1.4
751.20386	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	748.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.3
57.03421	8.9
57.07063	39.2
61.02896	5.9
61.66237	3.6
67.05479	34.4
67.89969	3.8
69.07057	8.3
71.08608	30.3
80.17955	3.8
81.07025	29.1
83.08593	18.0
85.02908	12.6
85.10149	16.5
86.09678	6.7
91.05450	27.2
92.09000	30.9
93.07021	20.1
95.04936	8.9
95.08566	34.3
97.02862	6.7
97.06396	4.6
105.06998	23.7
107.08543	5.5
109.02840	6.3
109.10135	10.4
109.54631	4.8
113.02315	34.3
119.08566	10.5
124.99935	8.4
131.08473	4.6
133.10095	38.3
138.27304	4.9
143.08549	4.9
145.10071	5.5
151.11179	15.8
161.09602	30.8
179.10594	31.2
184.07278	27.2
189.08977	6.9
204.84239	4.4
207.10103	7.6
262.17123	4.9
313.16409	100.0
313.27286	92.5
327.84100	4.3
436.84372	5.0
551.39203	74.8
678.29181	5.1
689.24274	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	749.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01861	0.5
55.05507	2.8
57.03431	1.3
57.07065	0.8
60.08152	0.7
61.02919	7.3
67.05500	8.7
69.03408	3.1
69.07051	2.0
71.04985	6.0
71.07358	0.7
73.02900	4.5
79.05468	4.7
80.45054	0.4
81.03408	2.2
81.07048	5.7
83.04958	0.8
83.08607	0.6
85.02891	8.5
86.09682	6.4
87.04463	0.6
87.10032	0.8
91.03938	5.0
91.05473	3.1
92.09106	0.9
93.07031	5.9
95.08580	3.9
97.02874	6.5
97.06519	0.8
99.04444	0.6
101.02361	2.6
105.07051	1.8
107.08572	2.3
109.02876	0.8
109.10148	6.5
111.04439	0.6
119.08586	2.5
121.10162	1.2
125.00010	4.5
127.03886	2.8
133.10118	0.6
135.11682	3.3
137.09607	1.2
145.10158	1.1
166.20497	0.5
184.07323	15.9
185.04129	0.6
185.07780	0.7
196.42992	0.6
217.09668	0.5
243.08295	3.6
243.15871	0.6
253.14162	2.3
439.19351	0.8
471.21948	10.8
519.29327	5.2
749.44281	100.0
750.44928	3.9
778.70251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
55.05496	7.1
57.07079	16.7
65.52539	2.0
67.05483	10.3
69.07042	9.7
71.08615	7.8
79.05502	5.7
79.39358	1.4
79.64149	1.6
80.29690	1.7
81.07040	36.6
83.04964	2.1
83.08587	2.6
85.10157	7.8
86.09686	9.6
91.05456	2.6
93.07019	7.2
95.08575	13.2
97.10130	1.9
105.07027	2.3
107.08567	4.1
109.06507	9.3
109.10133	8.9
111.04433	17.6
119.08556	4.0
121.10100	3.8
123.11697	2.0
124.99958	3.1
125.06013	3.4
133.10083	7.0
135.11725	3.9
137.05959	100.0
137.13258	2.2
147.11642	2.8
149.09575	3.1
161.09624	3.6
163.11148	3.2
165.09142	1.7
175.11281	4.9
184.07253	12.8
189.12666	2.2
193.12112	2.1
203.17926	3.6
213.16270	2.2
221.19160	1.9
231.17331	8.6
249.18471	7.3
277.17896	24.9
282.27997	2.2
293.23135	2.0
295.18909	7.9
313.27469	14.2
320.22040	3.0
351.21558	4.1
373.40320	1.8
589.44531	71.0
590.44238	2.7
607.45575	21.3
610.51160	1.9
730.45551	3.0
748.44415	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	748.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
56.05016	0.8
57.07055	0.7
57.74329	0.4
60.07861	0.5
60.08153	8.8
67.05493	0.8
69.57317	0.5
71.07357	5.0
79.05455	0.8
81.07043	0.5
86.09689	50.7
91.05424	0.7
93.07049	0.5
95.08569	1.1
98.98429	3.2
100.40008	0.4
104.10722	2.7
105.06944	0.6
115.77339	0.4
124.99977	37.7
143.00896	0.5
145.10069	0.5
171.93127	0.4
184.07303	100.0
200.99854	0.5
205.60854	0.5
230.41116	0.5
270.88129	0.5
283.11661	0.5
329.77982	0.5
748.46179	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	747.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.0
55.05502	6.8
57.03436	2.3
57.07082	2.1
60.08167	1.9
61.02913	7.6
61.12865	0.8
67.05493	8.1
69.03419	4.1
69.07071	6.4
71.04981	1.4
71.08611	1.9
73.02913	5.4
74.58807	0.9
78.69247	0.8
79.05463	8.4
80.98428	0.8
81.03395	13.1
81.07039	7.5
83.08620	5.5
85.02888	7.4
86.09697	14.9
89.06027	1.9
91.03943	3.8
91.05467	7.3
93.07019	6.8
95.04937	4.8
95.08604	4.8
97.02893	7.3
97.10154	1.6
101.02389	1.4
105.07051	5.4
107.08598	4.1
109.02835	1.1
109.10144	1.2
111.11801	1.0
115.03747	1.4
119.08601	3.8
121.10112	4.8
125.00006	8.9
127.03935	1.2
131.08554	2.2
147.11685	1.9
149.09625	1.4
176.99301	1.4
184.07306	29.0
185.07619	2.2
193.12291	1.8
195.00259	44.9
211.13231	1.4
243.08418	1.9
251.12642	1.1
269.12341	1.2
323.18253	2.0
335.25674	1.4
423.39590	1.3
469.20468	8.2
519.29327	7.5
525.35333	10.4
575.38959	22.2
697.36810	26.6
698.37628	1.4
747.42719	100.0
748.43323	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	747.428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75360	0.4
54.81558	0.4
55.01866	0.6
55.05503	2.2
57.03424	2.5
57.07040	0.5
61.02916	5.8
65.03914	0.5
67.05495	5.9
69.03099	0.4
69.03416	3.6
69.07054	1.8
71.01346	0.4
71.05001	0.4
73.02892	3.9
79.05488	4.1
81.03403	5.3
81.07044	6.0
83.08615	2.3
85.02888	6.5
86.09689	0.5
91.03935	2.4
91.05461	3.1
91.24821	0.4
92.08932	0.6
93.07023	5.2
95.04955	2.1
95.08582	3.7
95.72616	0.4
97.02881	4.1
99.04415	0.4
101.02319	3.3
105.07025	2.7
107.08572	2.5
109.02900	0.4
109.10141	1.7
111.08082	1.0
119.08588	2.2
121.10143	2.0
123.11713	0.6
125.00057	0.6
127.03896	2.0
129.06956	0.5
131.08505	1.3
133.10121	0.9
135.11726	0.6
147.11717	1.8
157.10043	0.5
175.11191	0.7
184.07333	1.6
185.04227	0.5
191.01631	0.4
193.12187	3.5
211.13306	2.4
221.11432	0.5
243.05998	0.4
243.08420	2.6
251.12456	5.0
266.50296	0.5
307.15317	1.6
469.20389	11.4
519.29346	5.1
543.93518	0.5
561.25714	0.4
653.55835	0.5
662.99524	0.5
687.35168	0.6
747.42731	100.0
748.42786	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	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.05513	1.3
57.03429	2.3
57.06031	0.6
61.02916	6.3
67.05502	6.3
69.03416	3.5
69.07055	1.0
70.81773	0.5
71.04983	0.9
73.02890	4.2
79.05044	0.5
79.05476	4.6
80.57806	0.5
81.03396	2.6
81.07042	7.6
81.95987	0.6
83.08620	1.2
85.02890	7.5
86.09700	0.8
88.63394	0.6
89.64538	0.6
90.90775	0.6
91.03939	2.7
91.05499	3.0
92.08653	2.3
92.09277	3.8
93.07015	4.7
95.08602	4.3
97.02858	4.8
99.04465	0.7
101.02381	2.5
105.07031	2.8
107.08617	2.3
109.02898	0.9
114.36738	0.5
119.08577	2.5
121.10132	2.2
127.03928	0.9
133.10196	0.9
145.27127	0.7
146.55545	0.7
147.11696	3.4
243.08340	1.3
251.12573	2.6
398.66138	0.6
425.21829	0.7
469.20517	9.1
519.29205	3.3
540.95520	0.8
603.22455	0.7
704.72046	0.8
747.42719	100.0
748.43109	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	747.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
53.24545	0.2
54.95310	0.3
55.01860	0.5
55.05499	1.5
57.03421	2.0
61.02912	6.3
61.67934	0.3
62.74110	0.3
67.05492	4.1
69.03409	3.2
69.07050	0.6
71.04980	0.4
73.02903	3.7
76.56722	0.3
79.05471	3.7
81.03395	4.4
81.07026	4.1
83.08598	1.5
85.02892	6.3
86.09676	0.4
86.60615	0.3
87.04362	0.3
91.03919	2.7
91.05436	3.2
92.09177	2.0
93.07019	3.2
95.04941	1.4
95.08567	2.8
97.02889	5.3
97.06545	0.3
99.04436	0.6
101.02361	2.0
103.03938	0.4
105.07007	2.5
107.08585	1.6
109.02870	0.5
109.10138	0.6
111.08044	0.3
117.07009	0.4
119.08551	2.2
121.10130	1.5
125.00020	0.4
127.03894	1.1
129.06979	0.4
131.08498	0.6
133.10129	0.6
145.04906	0.3
147.11699	0.7
157.10130	0.5
172.72552	0.3
175.11192	0.5
184.07295	1.3
184.30902	0.3
184.32768	0.3
185.04225	0.4
193.12260	0.7
195.00311	1.2
203.05299	0.4
243.08212	2.7
251.12556	1.3
335.26205	0.6
462.82214	0.4
469.20435	8.4
519.29303	3.8
568.68359	0.4
747.42719	100.0
748.43219	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	747.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
53.91348	0.2
55.01860	0.5
55.05508	3.1
57.03424	3.0
58.42707	0.2
59.04978	0.2
60.43525	0.2
61.02914	10.6
64.19557	0.2
64.96327	0.2
65.03939	0.3
67.05491	7.8
68.04478	0.2
69.03417	4.9
69.07067	2.5
71.01315	0.3
71.04975	1.3
73.02898	6.5
73.17031	0.2
78.98926	0.2
79.05473	6.5
79.05904	0.5
81.03392	4.7
81.07037	7.8
83.08599	1.0
84.13582	0.2
85.02888	9.6
86.09709	0.5
87.04446	0.3
91.03940	5.1
91.05451	3.9
92.08714	0.6
92.09314	0.4
93.07024	5.9
95.04957	1.3
95.08583	5.4
96.08931	0.2
97.02872	6.9
97.06505	0.5
97.10149	0.4
99.04440	1.3
101.02372	3.2
103.03910	0.9
105.07009	2.8
107.04961	0.3
107.08586	3.2
109.02863	1.1
109.06500	0.5
109.10130	2.4
115.03886	0.5
117.07003	0.5
119.08535	1.9
121.10120	2.9
123.11718	0.5
124.99953	0.3
125.09593	0.3
127.03904	2.1
129.06969	0.5
131.08578	1.6
133.10133	1.4
135.08099	0.2
135.11653	1.6
145.04955	0.4
145.10080	0.3
147.11684	1.1
148.13138	0.2
149.09656	0.3
149.13269	0.5
157.10149	0.5
159.11674	1.0
161.13213	0.4
173.13264	0.3
175.11220	0.3
184.07303	2.0
185.04066	0.6
193.12285	1.0
195.00275	3.2
203.05159	0.3
211.13280	0.3
243.08302	3.0
251.12456	1.7
335.25943	1.3
469.20331	4.3
508.92780	0.3
519.29163	7.8
520.30023	0.3
525.35150	0.5
575.39050	1.4
674.79132	0.3
697.37024	1.8
747.42725	100.0
748.43219	2.3
765.77112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.2
55.01858	1.2
55.05260	2.3
55.05504	38.5
57.03422	21.7
57.07066	11.9
57.75739	1.1
61.02908	5.6
67.05485	40.7
67.05840	1.6
68.34376	1.1
69.03426	2.8
69.07052	40.6
69.07406	2.4
71.04967	6.8
71.08619	2.7
73.02892	1.5
79.05469	32.0
81.03400	55.5
81.07030	49.9
83.04955	15.6
83.08604	43.4
85.02887	35.6
85.06523	2.3
85.10157	1.5
86.09716	1.7
87.96367	1.3
91.05455	27.3
92.09000	11.0
93.07009	30.4
95.04942	19.8
95.08579	37.3
97.02861	6.3
97.06503	7.4
97.10153	11.4
105.07006	28.7
107.04936	7.5
107.08570	18.0
109.06512	7.1
109.10139	13.9
111.08031	10.4
111.11646	2.1
113.06013	2.0
119.08540	21.1
121.10143	15.5
123.11722	2.9
125.00050	1.5
125.09625	2.1
129.06953	10.5
131.08528	11.8
133.06459	2.4
133.10094	13.4
135.11694	5.9
142.07777	2.1
142.51352	1.3
145.10068	2.0
147.08064	1.9
147.11685	16.5
149.09633	5.2
157.10110	15.2
165.12730	2.3
175.11159	12.1
184.07321	3.0
193.12195	33.7
211.13255	36.4
221.82523	1.4
223.96228	1.3
265.25037	1.9
266.26892	1.4
267.15826	13.6
285.16870	54.1
339.24808	2.2
339.28867	51.9
402.23276	1.3
402.58817	1.4
531.40417	13.2
549.41351	100.0
550.41614	1.8
574.48804	1.6
591.71216	1.6
678.01990	1.7
745.43896	4.5
746.43689	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	746.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.4
60.08151	9.5
60.08450	0.4
67.05482	0.7
71.07362	4.0
79.05470	1.3
81.07040	0.5
86.09691	48.8
91.05471	0.3
92.08727	0.8
95.04877	0.4
97.06510	0.3
98.98436	2.9
104.10729	3.8
104.14120	0.3
105.07080	0.4
107.08574	0.3
108.67702	0.4
115.43990	0.3
119.08582	0.4
121.06495	0.4
124.99981	35.0
131.08569	0.5
133.10081	0.4
143.01042	0.4
144.75343	0.4
147.04460	0.3
164.30786	0.3
169.48756	0.3
184.07307	100.0
221.33195	0.4
525.03204	0.4
540.40833	0.4
568.00281	0.4
728.44781	15.9
746.28735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.4
55.05503	39.0
55.28264	1.8
57.03411	13.7
57.07057	11.9
59.76532	1.9
61.02892	2.2
67.05495	48.2
69.07049	52.6
71.04958	2.1
71.08602	3.6
73.06546	2.7
78.77729	1.9
79.05466	20.5
81.07032	100.0
83.04928	4.1
83.08606	33.7
85.02898	4.4
85.06524	4.7
87.45367	2.0
91.05460	25.7
93.07001	20.4
95.04940	4.0
95.08104	2.3
95.08588	44.3
97.02844	2.4
97.06486	5.6
97.10149	11.5
99.08044	3.1
105.07004	38.6
107.04957	2.3
107.08569	16.8
109.06490	4.2
109.10126	12.4
111.08073	2.7
119.08540	27.9
121.10096	30.3
123.08000	3.1
123.11674	32.0
127.72109	2.3
135.11636	4.6
141.12637	2.3
147.11659	70.5
165.12704	25.2
267.15817	56.2
285.16907	55.4
339.28870	71.3
365.23691	2.3
409.73563	2.5
447.51889	2.2
549.41388	66.9
574.48907	2.8
769.35931	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	746.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.1
53.03931	0.7
53.15335	0.1
54.29171	0.1
55.55407	0.1
63.02380	0.1
67.01846	2.0
67.05467	0.1
69.03415	1.2
71.04969	0.6
71.33836	0.1
79.05482	0.1
81.03387	5.5
81.07030	0.4
85.02887	0.8
87.30251	0.1
89.03884	3.8
91.05468	0.4
92.08680	0.4
92.09322	0.3
93.07031	0.2
95.04947	0.2
97.02867	2.8
99.04423	1.7
99.21129	0.1
105.03349	0.2
105.07008	0.2
106.04163	0.1
107.08591	0.2
109.02851	12.6
109.10146	0.2
111.04419	0.2
117.03348	15.7
118.03729	0.1
119.04890	0.2
119.08630	0.1
121.06480	0.1
127.03880	9.4
129.65303	0.1
133.10147	0.1
134.03558	1.0
135.04370	1.1
137.05916	0.2
139.03844	0.2
145.02812	60.0
146.03145	0.2
147.04398	0.5
149.04732	0.2
149.05951	6.1
162.03146	0.2
163.03897	0.5
169.04924	2.7
175.94290	0.1
177.05415	100.0
178.05766	0.8
186.05449	0.6
195.06514	0.2
215.06969	0.2
229.06906	0.2
243.06480	0.2
285.07385	0.7
303.08539	14.9
352.97299	0.1
399.39633	0.1
423.12735	7.9
424.12967	0.1
641.30695	0.4
642.31409	0.4
745.34265	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	745.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
54.71293	0.3
55.05494	2.0
57.03426	2.5
57.07051	0.5
61.02911	6.1
65.03922	0.3
67.05489	5.9
69.03415	3.1
69.07055	1.6
70.75041	0.2
71.01340	0.4
71.04984	0.5
73.02896	4.4
75.72554	0.2
77.92620	0.2
79.05467	5.5
81.03406	1.8
81.07036	5.4
83.04965	0.5
83.08584	0.5
85.02892	5.3
86.09692	0.6
91.03947	2.9
91.05457	2.1
92.09145	1.0
93.07014	5.6
95.04963	0.7
95.08588	6.3
97.02870	5.2
99.04454	1.5
101.02361	2.2
105.07037	1.6
107.04958	0.5
107.08574	4.4
107.26118	0.3
109.02856	0.6
109.10167	1.7
111.04452	0.4
117.07008	1.5
119.08582	1.8
121.06490	0.5
121.10157	2.9
126.20602	0.3
127.03861	0.6
131.08533	0.6
133.10133	0.3
135.11673	5.2
138.33704	0.3
139.93875	0.3
145.05093	0.3
145.10098	3.1
161.21388	0.3
163.05449	0.3
163.11163	5.5
181.12375	0.4
185.04251	0.5
203.05444	0.3
219.09904	0.4
227.12778	3.4
243.08366	2.9
249.10924	12.3
305.13446	2.5
335.25888	0.6
467.18750	10.9
519.29150	5.8
573.49023	0.4
745.41193	100.0
746.41370	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	745.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71187	0.2
53.03942	1.0
55.01859	0.6
55.05507	2.1
57.03430	2.7
57.07063	0.5
59.05016	0.3
61.02911	8.4
67.05489	8.0
69.03414	3.9
69.07065	1.8
71.01365	0.5
71.04977	1.0
71.08607	0.3
73.02895	5.5
75.80947	0.2
76.98366	0.2
79.05473	5.5
81.03394	3.3
81.07039	6.2
83.01323	0.5
83.04974	0.9
83.08611	1.1
85.02884	6.6
86.49889	0.2
87.04443	0.5
91.03936	3.7
91.05450	4.1
91.47775	0.2
92.09008	1.9
93.07022	6.3
95.04955	1.3
95.08583	5.5
95.81021	0.2
96.08878	0.2
97.02861	6.6
97.06534	0.3
99.04446	1.5
101.02346	2.5
105.07006	2.4
107.04897	0.3
107.08573	3.1
109.02862	1.2
109.06477	0.5
109.10126	2.3
111.08100	0.2
115.03920	0.4
117.07016	0.5
119.08581	1.5
121.10099	2.9
123.08054	0.3
123.11639	0.2
127.03902	2.0
129.06970	0.2
131.08583	1.3
133.10185	1.5
135.11699	1.5
145.04976	0.4
145.10130	1.4
147.11662	0.4
149.13274	0.4
154.31299	0.2
159.11694	0.3
161.13263	0.4
163.11157	1.4
173.09634	0.2
185.04248	0.4
203.05315	0.5
243.08318	2.1
249.11099	0.5
283.15320	0.4
335.25772	1.1
449.01074	0.3
467.18805	4.1
468.37750	0.3
474.76434	0.3
485.31122	0.2
505.38803	0.4
506.38968	0.3
519.29205	7.2
519.36615	0.3
573.37817	0.3
745.41156	100.0
746.41376	3.4
757.75348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01866	0.6
55.05505	4.0
57.03429	3.7
57.07062	0.7
59.04995	0.3
59.09068	0.3
61.02912	7.0
65.60956	0.3
65.94904	0.3
66.35947	0.3
67.05489	8.8
68.05827	0.4
69.03418	4.2
69.07055	3.3
71.01351	0.4
73.02904	5.2
79.05476	7.0
79.05899	0.6
81.03393	5.0
81.07036	8.8
82.07371	0.7
83.01331	0.4
83.04969	1.6
83.08599	2.0
83.18902	0.3
83.19420	0.4
85.02888	7.9
91.03916	3.7
91.05467	3.6
92.09039	0.9
93.07026	7.5
95.04940	2.5
95.08584	5.6
96.08977	0.5
97.02865	5.1
97.06544	0.6
97.10123	0.6
99.04430	0.7
101.02357	2.8
103.03966	0.5
105.07026	3.8
107.04962	0.8
107.08562	2.8
109.02859	1.5
109.06505	1.4
109.10115	3.3
111.66016	0.4
115.03956	0.6
117.07024	0.7
119.08555	2.6
121.10118	2.8
123.08085	0.5
127.03876	1.4
129.07031	0.6
131.08562	1.6
133.10107	0.7
135.11694	1.7
145.10138	1.6
147.11713	2.2
157.10071	0.4
163.11192	2.8
211.13374	0.5
243.08328	2.3
283.15427	0.8
285.16986	1.4
286.17477	0.5
335.25723	1.7
336.26193	0.6
337.27179	1.8
338.27585	0.9
452.35291	0.5
467.18808	8.7
505.39233	0.5
506.39264	0.5
519.29126	4.6
547.39722	2.6
548.39734	2.8
548.85870	0.4
745.41162	100.0
746.41302	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	744.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	49.1
55.05721	5.5
57.03425	12.3
57.07063	12.6
67.05499	48.3
69.07052	49.1
71.08616	6.6
76.31388	6.7
79.05467	37.0
81.07034	76.2
83.08603	37.8
83.28555	6.2
87.05478	6.3
89.75740	6.0
93.07025	77.1
95.04952	25.9
95.08582	84.1
97.10096	12.7
99.04388	6.6
105.07003	27.2
107.04988	7.3
107.08582	66.6
109.10134	25.9
117.06985	10.5
119.08558	13.7
121.06485	6.5
121.10092	27.1
133.10139	8.0
135.11681	78.3
137.15041	6.3
139.11191	7.0
145.10036	44.4
147.11581	6.9
163.11139	85.8
170.10146	6.4
175.06953	6.3
184.07355	10.0
227.12752	64.4
283.15277	84.3
300.75500	7.7
339.28900	80.4
460.61417	7.1
547.39771	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	744.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	2.5
55.01859	11.8
55.05503	46.0
55.59341	2.4
57.03425	20.0
57.07060	14.3
61.02914	6.3
67.05488	40.2
69.07050	41.9
71.04967	4.8
71.08616	3.4
79.05467	27.4
81.03391	13.3
81.07036	45.5
83.01328	12.9
83.04962	16.4
83.08598	37.1
85.02870	11.0
86.86314	2.2
91.05442	20.8
92.08923	16.5
93.07011	45.2
95.04930	10.1
95.08585	43.6
97.02825	5.0
97.06519	5.5
97.10130	5.8
105.07005	11.4
107.04947	4.4
107.08555	21.2
109.06525	11.3
109.10136	16.8
111.11690	3.7
117.07024	10.7
119.08562	6.0
121.06454	5.7
121.09302	2.8
121.10085	25.4
123.08019	4.9
131.08540	5.2
132.38940	2.5
133.10065	2.8
135.11647	19.0
145.10118	20.4
147.08047	2.4
163.11101	22.9
181.12135	3.2
184.07368	3.4
206.79008	2.7
209.11804	4.6
255.78603	2.8
280.78482	2.7
283.12259	3.6
283.15338	100.0
339.28900	83.8
415.60208	2.9
547.39838	70.8
637.27625	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	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.2
53.03939	0.4
53.46272	0.2
55.01863	0.8
55.05511	1.9
57.03431	3.2
57.07057	0.3
58.46061	0.2
61.02913	6.5
65.03909	0.2
67.05498	6.6
69.03414	4.3
69.07061	1.7
71.01339	0.5
71.04962	0.5
73.02905	5.3
79.05475	5.2
81.03400	2.0
81.07039	6.2
83.04933	0.3
83.08614	1.0
85.02892	6.1
85.03370	0.4
86.09702	0.4
87.04443	0.4
91.03944	3.9
91.05473	2.4
92.08639	0.6
92.09259	1.3
93.07029	5.9
93.07600	0.2
95.04951	1.3
95.08585	5.8
97.02875	4.9
97.06546	0.2
97.10188	0.2
99.04436	0.8
101.02364	2.1
103.03955	0.4
105.07031	1.4
107.04900	0.2
107.08589	2.9
109.02893	1.2
109.10138	1.6
115.03918	0.3
116.66225	0.2
117.07011	1.0
119.08538	1.7
121.06493	0.3
121.10142	2.2
123.11717	0.3
125.00001	0.3
127.03896	1.5
130.63487	0.2
131.08578	0.9
133.10123	1.0
135.11668	3.6
137.47026	0.2
145.10112	1.7
147.11719	0.3
149.13295	0.3
161.13182	0.3
163.11139	2.0
167.39209	0.2
173.13263	0.2
179.62079	0.2
184.07370	0.9
185.04247	0.7
201.61528	0.2
219.09802	0.2
227.12744	1.9
243.08391	2.3
249.10921	15.1
261.22174	0.2
272.34271	0.2
300.79996	0.2
305.13611	1.4
328.19153	0.2
335.25952	0.9
338.53238	0.2
457.52664	0.3
467.18802	6.8
467.37170	0.2
497.30777	0.2
506.38913	0.5
519.29230	9.4
548.39935	0.3
559.93768	0.2
583.36011	0.8
658.11536	0.2
745.41193	100.0
746.41486	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	744.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.7
53.03931	0.7
55.01851	1.3
55.05262	0.9
55.05503	16.2
57.03427	9.5
57.07055	2.7
59.04980	2.8
61.02917	4.3
65.03915	2.4
67.05489	100.0
68.54182	0.4
68.97833	0.5
69.03405	2.3
69.07053	15.1
71.04972	24.1
73.02876	0.9
76.56727	0.6
79.05472	38.1
80.22383	0.6
80.26357	0.5
81.03391	3.4
81.07036	42.6
83.04982	4.6
83.08598	9.5
85.02878	4.6
85.06538	4.0
86.09698	1.1
91.03922	1.2
91.05460	26.6
92.08594	0.6
92.09106	2.9
93.07023	45.1
95.04939	5.5
95.08579	35.1
97.02868	2.8
97.06495	6.1
97.10166	0.9
97.77192	0.6
99.08035	1.0
102.28590	0.6
105.07011	12.2
107.08573	22.1
109.06501	2.3
109.10136	68.4
111.08054	3.8
111.73537	0.5
116.06795	0.6
117.06981	6.2
119.08558	22.9
121.10113	15.1
123.08070	0.7
123.11677	3.2
131.08539	6.8
133.10114	9.6
135.08052	1.1
135.11665	18.3
137.09592	10.2
139.11182	1.0
143.08560	1.0
145.10089	9.2
147.11639	6.1
149.13242	3.8
151.11214	0.7
155.10669	3.0
157.10120	2.1
159.11617	4.2
161.13249	2.6
163.11130	2.6
163.14778	0.7
171.11584	0.6
173.11707	7.9
173.13216	2.5
177.33249	0.7
181.12178	2.4
184.07321	2.5
185.13254	1.3
187.14903	0.9
193.12109	1.0
199.14920	0.8
213.14926	1.1
243.15819	1.4
245.18782	0.7
255.15800	4.0
261.22046	3.2
278.36017	0.6
287.18414	14.5
335.25711	11.8
423.32639	0.7
426.65686	0.7
435.32108	0.6
471.34528	2.8
489.35657	56.8
490.35800	1.2
497.36526	0.6
503.36960	1.3
515.37146	12.3
533.36963	0.7
547.39825	52.1
548.39789	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	24.4
57.03423	14.6
57.07063	3.5
61.02912	5.0
67.05489	100.0
69.07050	14.7
69.27994	2.2
71.04983	21.1
79.05476	47.6
81.03414	11.4
81.07037	57.1
83.04965	4.7
83.08606	11.8
85.02887	6.0
85.06522	4.0
86.09688	3.7
91.05473	31.6
93.07018	54.9
95.04935	11.1
95.08591	45.4
97.02886	3.7
97.06484	4.3
97.10135	3.8
98.20345	3.1
105.07031	16.0
107.08544	21.7
109.06515	3.7
109.10133	61.1
117.06998	6.2
119.08563	17.5
121.10085	26.5
129.07054	3.3
131.08565	5.0
133.10077	4.7
135.11699	18.8
137.09621	5.5
145.10114	6.4
147.11681	3.1
149.13188	3.6
159.11699	3.3
173.13226	4.2
175.11238	3.4
184.07356	3.3
194.49477	3.3
196.97946	2.7
287.18512	6.1
335.25674	12.3
337.27167	4.2
489.35626	56.2
515.37164	5.5
547.39850	73.8
744.45728	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	744.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	1.0
53.03937	1.5
55.01868	1.3
55.05505	16.8
57.03430	9.5
57.07066	1.7
59.04987	1.6
61.02906	4.3
61.12952	0.7
61.78577	0.8
65.03926	1.6
67.05494	100.0
69.03406	1.6
69.07056	14.9
71.04606	1.1
71.04977	22.0
73.02891	0.7
79.05476	39.8
81.03400	4.9
81.07040	47.6
83.04964	5.3
83.08620	7.3
85.02898	5.0
85.06537	3.2
86.09674	1.9
86.10941	0.8
91.05463	23.9
93.07026	50.4
95.04945	7.9
95.08586	35.0
97.02880	3.2
97.06507	5.4
97.10164	1.6
99.08063	1.4
105.07020	15.4
107.08577	23.2
109.06508	3.5
109.10146	61.8
110.10432	0.9
111.08052	1.8
115.17195	0.8
117.06987	5.9
119.08558	23.0
119.48103	0.7
121.10122	18.6
123.11686	3.3
129.07018	1.3
131.08543	8.3
133.10123	8.3
135.11665	14.7
137.09578	12.2
139.11151	0.8
143.08633	0.9
145.10121	8.2
147.11658	4.6
149.13246	1.9
155.10652	1.6
159.11661	4.0
161.13234	3.0
163.11131	1.4
173.11696	7.6
173.13226	3.3
184.07339	3.7
187.14818	1.7
195.00281	1.2
199.14832	1.3
211.13351	1.3
243.15865	3.8
255.15884	1.7
261.21964	0.9
287.18475	11.5
296.51447	0.8
305.60168	0.8
335.25732	16.8
415.41730	0.8
471.34720	1.6
489.35666	69.5
490.36237	1.4
515.37457	10.5
547.39850	60.7
548.40582	1.3
572.35394	2.8
740.26849	1.2
745.41986	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.3
55.05502	27.4
57.03418	14.1
57.07064	3.5
58.41329	3.1
62.52452	3.0
63.80913	3.6
65.73130	3.2
67.05499	54.5
69.07063	29.9
74.71471	4.0
79.05482	30.3
81.07040	100.0
83.04971	5.7
83.08597	8.0
86.09701	17.4
88.56181	4.2
91.05478	28.7
92.08978	28.9
93.07020	29.9
95.08588	57.2
97.06505	4.9
99.08012	4.6
99.38755	4.2
105.06995	23.0
107.08592	26.6
109.10121	18.7
119.08574	33.4
121.10100	25.8
123.11661	22.4
124.99948	8.5
133.10126	8.4
147.11678	52.9
161.13425	4.4
162.64363	4.5
165.12778	7.2
168.02292	4.5
184.07280	51.4
198.71565	3.4
263.23660	5.7
267.15796	38.4
285.16913	45.2
337.27173	40.3
423.18365	4.3
464.15039	3.9
547.39709	56.6
705.73309	4.4
719.18933	4.2
744.44208	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	744.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.3
55.05502	27.4
57.03418	14.1
57.07064	3.5
58.41329	3.1
62.52452	3.0
63.80913	3.6
65.73130	3.2
67.05499	54.5
69.07063	29.9
74.71471	4.0
79.05482	30.3
81.07040	100.0
83.04971	5.7
83.08597	8.0
86.09701	17.4
88.56181	4.2
91.05478	28.7
92.08978	28.9
93.07020	29.9
95.08588	57.2
97.06505	4.9
99.08012	4.6
99.38755	4.2
105.06995	23.0
107.08592	26.6
109.10121	18.7
119.08574	33.4
121.10100	25.8
123.11661	22.4
124.99948	8.5
133.10126	8.4
147.11678	52.9
161.13425	4.4
162.64363	4.5
165.12778	7.2
168.02292	4.5
184.07280	51.4
198.71565	3.4
263.23660	5.7
267.15796	38.4
285.16913	45.2
337.27173	40.3
423.18365	4.3
464.15039	3.9
547.39709	56.6
705.73309	4.4
719.18933	4.2
744.44208	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	744.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01868	8.8
55.05508	46.5
57.03423	24.2
60.08154	4.6
65.03935	5.4
67.05491	100.0
69.03407	5.1
69.07049	44.0
71.01355	3.1
71.04972	7.3
79.05475	97.2
79.05906	6.5
81.03409	13.4
81.07044	70.3
83.04970	18.1
83.08604	16.6
83.67519	3.2
85.02895	5.2
85.06538	3.6
86.09686	31.6
91.05456	49.2
92.08904	8.3
93.07028	99.1
95.04951	19.8
95.08583	44.2
97.02859	3.9
97.06520	25.8
97.10148	22.7
97.12492	4.1
105.07006	41.3
107.04951	14.3
107.08577	63.5
109.06487	4.0
109.10149	13.8
111.08071	5.0
117.07005	23.7
119.08575	31.2
121.06423	4.1
121.10140	18.3
124.99966	26.0
125.09616	17.4
131.08540	26.2
133.10077	15.8
135.08028	5.4
135.11664	65.0
145.10085	27.8
147.11656	13.9
149.09598	8.6
149.13211	6.5
151.11212	4.1
157.10120	4.7
159.11671	20.7
161.13210	3.6
163.11218	5.9
177.12878	3.4
184.07309	77.0
222.84158	3.4
227.12830	15.7
255.15866	56.4
275.19992	21.2
349.23727	8.4
389.84549	4.1
425.25443	4.6
435.27536	18.3
449.28891	63.3
529.35431	50.0
547.35657	15.4
703.36700	5.1
726.43195	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	744.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01864	13.3
55.05503	38.8
56.96548	1.4
57.03428	33.1
57.07069	2.7
61.02915	2.4
67.05492	100.0
69.03416	8.3
69.07056	45.0
71.01338	6.7
71.04972	9.3
79.05478	96.5
81.03400	13.9
81.07040	83.6
83.01273	1.6
83.04969	20.5
83.08609	15.5
83.48821	1.7
85.02894	6.7
85.06528	8.7
86.09682	17.6
91.05459	55.3
92.08646	2.9
92.09241	5.6
93.07025	100.0
95.04951	17.9
95.08585	36.0
97.02861	3.2
97.06516	26.9
97.10146	26.0
99.08072	3.2
100.96363	1.7
105.04491	2.4
105.07015	41.2
107.04940	11.6
107.08579	74.4
107.09291	2.7
109.02879	1.9
109.06517	6.3
109.10157	14.9
111.08044	3.4
117.07013	19.9
119.08559	34.2
121.06461	4.1
121.10100	19.4
123.08106	2.1
123.11661	1.9
124.99992	10.5
125.09628	9.6
128.06172	2.0
129.06956	2.6
130.07765	2.3
131.08517	16.0
133.10092	23.7
135.08018	3.4
135.11668	65.4
137.09584	3.2
140.47722	1.5
141.07011	2.4
143.08557	4.2
145.06491	1.8
145.10095	29.6
147.11668	10.9
149.09621	14.2
149.13237	7.6
157.06566	1.8
157.10181	2.4
159.11607	13.9
161.13220	3.9
163.11154	11.0
171.11646	2.4
173.13245	6.7
177.12665	2.3
181.12244	9.5
183.11687	2.3
184.07297	26.1
189.11113	5.5
227.12686	16.0
255.15857	63.8
257.18982	9.4
269.17612	7.1
275.20050	25.3
293.21011	2.5
349.23645	17.0
425.25491	7.0
433.29437	2.8
435.27457	17.9
449.23114	3.2
449.28943	60.8
467.99072	1.9
489.32159	2.1
529.35162	59.3
547.35858	8.7
673.38007	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.9
55.05504	47.7
57.03416	5.7
57.07063	14.4
59.04971	1.8
60.08147	2.0
60.52115	1.0
63.57087	1.0
65.03933	1.0
67.05489	72.1
69.07051	38.4
71.04974	2.6
71.08607	5.8
79.05467	11.9
81.03415	1.8
81.07031	21.1
83.04952	2.0
83.08118	1.7
83.08600	30.8
85.02855	1.0
85.06527	1.8
85.10162	1.9
85.48621	1.0
86.09686	13.4
91.05448	10.3
92.08666	4.0
92.09291	5.0
93.07026	13.2
95.08563	8.3
97.06503	1.4
97.10164	20.5
98.98421	8.8
100.98183	1.2
105.07009	5.2
107.08575	8.4
107.89779	1.3
109.09401	2.0
109.10139	51.5
111.04435	1.3
111.08070	2.2
111.11693	6.8
116.93500	1.2
119.08538	7.5
121.10104	5.6
124.99951	9.5
125.09615	1.7
131.08540	1.5
133.10095	2.3
135.11644	1.6
137.09650	1.5
139.11128	1.5
145.10088	1.3
155.10680	1.2
173.11720	6.4
184.07304	29.1
209.11742	2.5
229.14348	2.3
237.21968	1.4
283.15250	1.4
311.25681	5.6
458.95691	1.5
465.35663	100.0
466.35925	5.2
519.36578	5.3
536.36548	1.8
537.37665	14.8
555.38788	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
54.04249	0.4
54.05683	0.4
55.01839	0.8
55.05494	1.1
58.13236	0.4
67.01833	2.4
67.05470	2.7
67.49251	0.4
69.03401	2.3
69.07038	0.5
70.60598	0.4
71.04989	0.9
79.05463	2.8
81.03395	8.9
81.07021	3.0
83.04973	0.5
83.08583	0.5
85.02883	2.5
91.05466	8.2
93.07008	2.3
95.04926	1.2
95.08563	1.2
97.02901	3.5
97.06471	1.1
97.10097	0.6
99.04449	1.1
105.03354	3.7
105.07000	3.0
107.08561	2.4
109.02866	18.2
109.06546	0.5
109.10140	2.4
119.04128	0.9
119.04919	16.4
119.08530	1.2
121.06415	0.7
121.10125	0.6
123.04438	0.7
127.03893	13.6
131.08522	0.6
133.10094	2.0
135.08131	0.5
137.05956	0.6
137.09579	0.6
139.03900	0.7
145.02850	0.7
145.10141	0.6
147.04385	100.0
147.11613	0.7
148.04764	0.5
157.10123	0.6
163.03871	0.8
165.05498	0.6
165.37695	0.5
167.71109	0.5
169.04910	5.2
177.05432	0.8
185.55858	0.5
194.59436	0.5
229.07010	0.8
248.14305	0.5
259.09802	0.8
273.07513	16.2
393.11719	10.2
476.39868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
54.20568	0.8
55.05496	4.7
55.80278	0.7
57.03419	1.0
57.54069	0.7
64.33352	0.9
67.01838	1.8
67.05478	6.2
69.03425	6.4
69.07043	1.9
71.04964	2.0
79.05467	5.7
81.03395	10.7
81.07020	5.0
83.04943	1.6
83.08604	1.5
85.02869	4.2
85.06518	1.2
89.03891	4.6
91.05465	9.5
92.08737	4.8
93.07028	6.6
95.04940	5.3
95.08594	6.3
97.02861	4.5
97.06503	6.6
99.04411	1.6
105.03381	7.7
105.03986	0.9
105.06985	6.3
107.04935	4.2
107.08560	4.5
109.02870	15.5
109.06532	2.0
109.10135	2.0
111.80452	1.0
117.03358	6.4
117.07027	1.2
118.03673	1.8
119.04906	17.8
119.08521	3.6
121.10079	4.6
125.09592	1.5
127.03893	12.9
129.06937	1.2
131.08549	1.2
133.10094	3.8
135.04404	20.9
135.08078	1.2
136.04727	6.3
143.08574	1.5
145.02805	16.7
145.10129	1.9
146.03139	5.2
147.04385	89.2
147.11630	1.7
149.05974	1.1
149.09630	1.2
163.03868	100.0
163.11092	1.0
164.04210	35.1
165.04398	5.8
169.04892	3.8
173.02290	1.4
177.05464	1.8
215.06985	2.0
231.86082	0.9
259.09525	6.1
273.07529	14.7
393.11844	7.2
743.34039	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01857	2.7
55.05505	11.6
57.03430	7.1
57.07072	4.9
59.04961	0.5
61.02913	9.6
62.00833	0.5
63.02696	0.4
67.05492	14.3
67.76201	0.4
69.03415	21.8
69.07056	14.1
71.04972	6.0
71.08611	1.9
73.02907	4.0
76.56760	0.4
79.05467	8.3
81.03402	10.6
81.07038	27.9
83.01327	0.8
83.04986	0.7
83.08597	13.3
85.02889	100.0
85.06530	10.4
87.04450	2.9
91.03929	4.3
91.05449	3.8
92.09133	2.1
93.07022	24.9
95.04958	2.8
95.08583	31.7
97.02869	31.2
97.06509	0.9
97.10153	7.9
99.04436	3.9
99.08071	7.0
101.02349	0.6
103.03939	0.8
105.03374	2.6
105.06998	4.6
107.04939	0.8
107.08572	29.0
107.09295	1.0
109.02857	9.9
109.06496	0.7
109.10139	30.6
111.04419	0.5
111.08086	0.7
111.11716	1.1
111.43121	0.5
113.09630	2.5
115.03948	1.0
117.07031	0.6
119.08549	3.7
121.06496	0.6
121.10126	24.7
123.04322	0.6
123.08014	0.5
123.11686	19.6
123.12546	0.9
125.09588	3.5
127.03889	21.4
127.04803	0.7
127.11159	0.7
129.06940	0.5
131.08583	2.4
133.10069	3.5
135.04341	0.5
135.11667	16.6
137.13210	2.7
139.11180	1.9
139.14822	0.7
143.08592	0.6
145.04939	21.9
145.10118	2.3
147.04407	1.1
147.11684	2.0
149.09612	0.7
149.13237	42.3
153.12766	0.6
157.10133	1.0
159.11720	1.0
161.13275	0.9
163.05980	10.6
163.11130	0.9
163.14757	6.4
165.16478	0.6
167.10619	0.6
169.10110	0.6
171.11711	0.7
173.09523	0.5
173.13258	0.7
175.11186	0.5
175.14728	0.5
177.16444	0.9
179.17940	0.6
181.12216	1.0
185.13332	0.6
187.14871	1.0
189.12724	0.7
189.16379	0.6
196.82718	0.4
201.16353	0.6
205.19479	37.5
219.90836	0.5
223.20538	29.6
235.20473	0.5
241.21571	15.9
289.09119	0.8
325.11115	3.7
331.22650	2.0
347.22034	0.5
349.23599	2.4
365.23578	0.6
367.24637	1.0
403.26880	0.8
475.26950	0.6
587.82501	0.5
634.44647	0.5
713.38544	0.5
763.36688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63468	0.4
54.64354	0.5
55.05505	1.1
55.30917	0.4
57.03442	0.5
61.02906	0.8
67.05489	3.8
69.03407	2.3
69.07067	0.9
71.05006	0.6
73.02898	0.8
77.88622	0.4
79.05470	2.8
81.03400	1.9
81.07044	3.2
83.04969	1.3
85.02885	1.2
85.06513	0.7
91.05456	2.8
93.07024	2.5
95.04959	0.8
95.08577	1.2
97.02869	0.9
97.06501	1.0
99.04389	0.6
105.03338	3.8
105.07028	2.7
107.08580	2.6
109.06507	0.8
109.10104	1.0
111.04401	0.6
111.40801	0.6
119.08572	0.9
121.10168	1.0
123.08052	0.6
123.11768	0.6
126.24004	0.5
133.10103	0.9
135.04349	0.6
135.11699	0.7
137.09593	0.7
144.75388	0.6
145.10095	0.8
147.04399	2.5
147.11691	0.8
157.10179	0.8
163.03899	2.0
163.11172	0.7
175.11018	0.7
199.52080	0.5
257.04593	0.8
297.18207	0.6
514.22339	0.5
606.01947	0.8
639.29474	2.5
743.32434	100.0
744.32721	2.2
769.42053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
57.03431	1.8
60.08168	0.6
67.05489	1.9
73.98216	0.7
79.05486	1.5
81.03407	1.6
81.07066	1.8
83.08598	0.8
86.09690	8.3
87.10017	0.9
88.44777	0.7
91.05453	1.4
92.09125	0.8
93.07032	0.9
95.08578	1.3
98.89235	0.8
109.02876	1.7
109.68299	0.7
117.05511	3.0
125.00009	5.2
137.32745	0.8
184.07312	17.9
329.08600	4.1
683.35779	3.1
739.08783	1.0
743.38086	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	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29053	0.7
53.00307	0.7
53.03925	5.2
55.01845	4.2
55.05501	29.3
55.96610	0.8
56.02163	0.8
57.03176	1.4
57.03427	27.2
57.07061	1.2
59.04974	0.9
61.02908	8.7
63.29141	0.8
65.03911	1.6
67.05488	66.0
69.03397	6.1
69.07050	18.4
71.04971	6.4
73.02882	1.6
75.61945	0.8
76.56668	0.9
79.05472	62.2
81.03395	76.6
81.07034	72.4
81.07423	1.1
81.07530	1.4
83.04959	19.5
83.08601	28.6
85.02889	34.4
85.06515	2.0
89.46108	0.9
91.05455	55.0
92.08714	2.8
92.09309	3.6
93.07019	52.8
95.04932	27.7
95.08002	1.8
95.08578	41.8
96.51439	0.9
97.02863	6.3
97.06506	6.9
97.10177	6.7
98.91400	1.0
99.04391	0.9
99.08070	1.1
105.04589	1.0
105.07006	39.5
105.59066	0.9
107.04943	7.7
107.08572	29.4
109.06511	7.5
109.10136	17.2
111.04395	1.7
111.08060	9.9
113.05995	3.6
115.05436	2.2
117.07021	7.1
119.08563	30.4
119.89349	0.9
121.06445	1.8
121.10117	22.0
123.08027	4.1
123.11666	5.1
129.06964	13.8
131.08542	24.2
133.06450	1.4
133.10097	17.0
135.11687	9.2
135.32700	0.9
137.09624	1.2
137.13278	1.1
142.07759	3.5
145.10083	8.1
147.08015	4.8
147.11662	16.0
149.09625	9.6
149.13196	1.5
157.10086	13.9
159.11671	1.9
161.13242	2.2
163.14789	1.2
165.12717	3.1
172.73936	1.1
173.13176	3.6
175.11171	15.1
175.14877	1.1
189.16310	1.0
193.12201	41.5
211.13249	44.5
243.20880	1.2
261.22052	5.8
267.15906	11.1
285.16898	59.4
286.17154	1.4
317.24466	1.2
335.25699	61.0
397.86307	0.9
435.32214	1.1
453.33359	1.4
463.59967	1.0
503.37036	1.6
527.37268	11.2
545.38245	100.0
546.38379	1.6
617.11395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
53.74458	1.7
55.01869	2.2
55.05507	38.0
56.23238	1.7
57.03424	22.4
57.07059	2.8
61.02913	2.9
67.05486	63.0
69.03393	7.1
69.07045	26.5
71.04983	3.2
73.02893	1.9
79.05466	61.5
81.03394	74.5
81.06597	3.5
81.07039	69.2
83.04961	17.4
83.08598	29.7
85.02882	28.4
91.05457	48.2
92.08919	14.0
93.07018	48.8
95.04943	26.8
95.08585	43.5
97.02892	3.5
97.10136	14.2
105.04499	2.6
105.07002	36.9
107.04920	3.4
107.08568	26.7
109.06483	4.4
109.10133	11.2
111.08061	8.8
117.07012	8.0
119.08543	33.1
121.10136	25.4
123.08026	3.0
123.11713	2.5
123.27876	1.8
125.09632	2.0
129.06982	11.8
131.08530	21.5
133.10092	18.2
134.53532	2.2
135.11641	8.4
145.10115	8.7
147.08018	3.9
147.11653	20.9
149.09615	11.2
149.13391	2.7
157.10100	12.2
159.11710	4.0
175.11137	12.8
187.14793	2.1
193.12228	33.8
211.13245	26.6
239.44165	2.0
250.91772	2.0
261.22089	3.2
267.15884	8.8
267.56940	2.2
285.16861	30.0
335.25659	54.4
335.43253	2.3
338.87958	2.2
375.60986	2.2
503.37225	36.4
527.37445	14.7
545.38232	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	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.9
55.01863	2.9
55.05505	20.7
57.03170	1.0
57.03430	14.7
59.04974	0.5
59.90297	0.6
61.02909	3.3
65.03922	1.3
67.05492	41.4
68.23471	0.6
69.03403	3.8
69.07059	12.6
71.04974	4.4
73.02885	1.1
79.05473	35.2
81.03398	53.4
81.07036	45.7
83.04963	15.2
83.08604	19.8
85.02419	1.1
85.02892	19.9
85.06519	1.3
85.09325	0.6
85.21464	0.6
91.05459	31.8
92.08788	0.8
93.07027	37.9
95.04942	22.7
95.08582	27.2
97.02863	5.2
97.06509	4.1
97.10148	5.8
99.08066	1.2
105.07015	25.8
107.04958	5.2
107.08568	20.2
109.06506	4.3
109.10121	10.1
111.04438	1.4
111.08079	7.5
113.05967	1.2
115.05439	1.0
117.06976	3.9
119.08566	19.2
121.10122	16.2
123.08040	3.3
123.11701	3.7
125.00034	0.8
125.09599	0.9
129.06966	9.4
131.08537	12.7
133.06462	3.1
133.10100	12.0
135.08066	1.3
135.11667	9.0
137.09612	1.1
142.07767	2.9
145.10068	5.1
147.07993	1.4
147.11674	15.6
149.09622	4.5
149.13191	3.8
157.10101	10.6
159.11662	1.0
161.13194	0.7
163.11137	0.7
165.12704	3.4
168.41782	0.6
173.13223	1.5
175.11156	12.9
175.14847	0.6
184.07361	2.7
187.14850	0.9
193.10463	1.5
193.12210	34.3
211.13252	36.9
243.21005	0.9
261.22040	4.8
267.15857	7.3
282.61279	0.7
283.15207	0.7
285.16919	27.2
317.24625	1.0
335.25723	35.8
336.26263	1.0
527.37030	8.9
545.38239	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	742.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73200	0.3
53.00280	0.5
53.03931	1.6
55.01861	2.8
55.05502	17.0
57.03426	15.9
57.07054	2.3
61.02914	3.4
65.03918	1.7
67.05490	55.5
67.07796	0.4
67.23919	0.4
69.03412	2.1
69.07050	22.1
71.04972	4.6
71.08601	0.7
73.02900	0.6
74.59606	0.4
79.05470	32.6
81.03396	1.8
81.07036	100.0
82.07385	0.4
83.04956	6.0
83.08605	11.2
85.02891	4.0
85.06510	4.5
91.03927	0.8
91.05457	28.4
92.09016	2.4
93.06416	0.8
93.07018	37.5
95.04954	5.0
95.08582	41.8
97.02868	2.2
97.06506	7.9
97.10144	2.5
99.04456	0.6
99.08063	3.8
101.06001	0.9
105.07009	36.0
107.08575	24.3
109.06505	5.5
109.10136	12.2
111.08089	0.9
113.05988	0.8
117.07006	4.6
119.08553	31.8
121.10113	30.2
123.08056	5.7
123.10773	1.0
123.11679	28.5
124.99979	0.7
125.09586	0.7
127.03937	0.6
127.07551	2.6
129.06998	2.0
131.08553	7.1
133.10098	7.6
135.11656	9.2
137.09613	0.8
137.13210	3.6
139.11156	0.4
141.09161	0.4
145.10071	4.5
147.11664	60.0
148.12085	0.5
149.13237	4.1
151.11101	0.5
153.12628	0.5
157.10118	3.1
159.11682	3.3
161.13255	2.5
163.14804	1.8
165.12723	20.6
173.13249	2.9
175.11215	2.0
175.14798	0.7
177.16354	0.9
183.13799	2.1
184.07378	2.1
184.87242	0.4
185.07809	0.5
187.14861	0.9
192.12498	0.5
193.12215	0.7
201.16351	0.7
203.14478	0.4
229.14325	3.8
243.21048	3.2
261.22067	14.6
261.24792	0.6
267.15854	44.2
268.16150	0.9
279.23184	1.7
280.54205	0.5
285.16888	54.8
286.17514	0.6
317.24780	2.0
335.25723	52.9
336.26138	0.8
353.26880	2.7
380.06509	0.5
412.87463	0.4
471.34888	0.9
483.71155	0.5
527.37036	4.9
545.38226	45.3
546.38794	2.2
563.39246	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88068	0.3
53.00278	0.5
53.03932	1.6
54.81172	0.4
55.01855	2.5
55.05502	18.1
57.03425	15.5
57.07054	1.9
59.04976	0.6
61.02919	4.3
64.54364	0.3
65.03930	1.6
67.05490	55.4
69.03413	1.6
69.07050	19.9
69.69619	0.4
69.91560	0.4
70.07397	0.4
71.04972	4.6
71.08600	0.4
71.17124	0.3
73.02902	0.7
73.06534	0.5
73.41283	0.4
79.05473	36.5
80.05815	0.5
81.03403	1.9
81.07035	100.0
82.07354	0.6
83.04967	6.6
83.08598	10.9
85.02893	4.7
85.06532	5.4
86.09688	1.6
91.03935	0.7
91.05459	29.7
92.08757	0.7
92.09222	0.4
93.07018	41.3
95.04929	4.0
95.08581	41.3
96.08923	0.5
97.02865	1.8
97.06519	7.1
97.10146	1.6
99.04426	0.7
99.08062	3.6
101.06012	0.7
105.07008	38.2
107.08576	25.8
109.06484	6.2
109.10141	10.7
111.08083	2.1
113.05991	1.6
113.36955	0.4
117.07003	3.9
119.08555	33.1
120.08841	0.5
121.10117	31.3
123.08049	5.4
123.11678	27.5
124.99997	0.6
125.09601	0.8
127.03885	0.4
127.07537	2.4
129.06976	2.1
130.07803	0.4
131.08537	8.2
133.10109	8.8
134.22118	0.3
135.11679	8.1
137.09622	0.4
137.13217	2.7
141.09073	0.8
141.32335	0.4
145.10121	6.0
147.11662	60.5
149.13231	5.7
157.10123	2.0
159.11632	4.1
161.13255	2.7
163.14847	1.9
165.12721	20.6
173.13217	4.0
175.11163	1.8
175.14793	1.6
183.13828	2.1
184.07341	2.3
186.07771	0.6
187.14784	0.8
192.67784	0.4
193.12248	0.8
201.16315	0.6
211.13210	0.5
229.14236	3.4
243.21005	4.1
261.22061	15.0
267.15839	43.3
279.23203	1.6
283.15521	1.5
284.15756	0.6
285.16901	58.4
317.24631	2.1
335.25723	58.5
336.26166	1.6
353.26871	2.9
453.33481	0.7
458.35950	0.4
471.34485	1.9
527.37201	4.3
544.36914	0.6
545.38202	47.9
546.38586	0.7
563.39410	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.0
53.03938	3.2
55.01860	2.2
55.05505	32.4
57.03176	0.5
57.03431	8.7
57.06820	0.4
57.07069	10.0
61.02914	1.0
65.03940	0.6
67.05492	26.7
69.03404	2.5
69.07054	31.6
71.04967	2.1
71.08614	5.4
71.38569	0.3
79.05476	21.7
81.03400	72.9
81.07037	24.5
81.07534	0.6
83.04965	5.5
83.08604	36.0
85.02896	4.9
85.06516	0.6
85.10170	2.3
91.05461	22.1
92.08794	3.9
92.60329	0.4
93.07024	20.7
95.04950	22.9
95.08583	16.6
97.02888	2.9
97.06500	2.5
97.10146	18.3
98.98418	0.6
99.04377	0.5
105.07014	17.2
107.04937	5.5
107.08584	10.0
109.06522	3.5
109.10136	5.1
111.04424	2.0
111.08053	6.0
111.11713	3.9
115.05415	0.7
116.06206	0.5
117.07010	2.5
117.18605	0.4
119.04921	0.7
119.08555	13.0
119.09383	0.6
121.06488	2.9
121.10123	10.1
123.08073	2.4
123.11683	2.5
125.09629	0.7
129.06982	8.4
131.08551	9.3
133.06496	2.4
133.10098	6.6
135.11635	3.0
137.09595	1.9
142.07773	2.5
143.08511	0.6
145.10126	2.5
147.08043	2.8
147.11678	8.4
149.09596	3.9
149.13252	1.9
157.10083	10.3
159.11697	2.0
163.11166	0.6
165.12709	1.6
173.13257	0.7
175.11142	8.8
184.07336	0.7
193.12206	16.3
205.12100	0.5
209.13484	0.5
211.13263	6.0
249.14842	2.0
261.22153	2.2
267.15881	11.3
285.16879	7.4
301.25357	0.6
311.25729	2.3
335.25702	16.8
454.95471	0.5
503.37225	100.0
504.37625	1.8
527.37140	4.7
545.38293	14.5
706.71533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01867	8.6
55.05503	27.2
57.03178	1.0
57.03428	18.4
61.02921	1.4
61.98448	0.9
65.03915	1.2
67.05491	32.8
69.03403	6.9
69.07059	11.7
69.36353	0.9
70.43593	0.9
71.04974	6.3
71.78994	1.1
74.72846	1.0
79.05477	42.3
81.03396	80.3
81.07032	30.3
83.04948	10.0
83.08596	24.1
85.02890	4.5
85.06525	2.0
88.41528	0.8
91.05463	30.9
91.05998	1.6
92.08816	5.1
93.07022	34.7
95.04943	33.2
95.05513	1.7
95.08589	19.7
97.02876	3.6
97.06496	6.8
97.10146	24.3
105.03377	1.9
105.07009	22.3
107.04938	34.2
107.05623	1.7
107.08572	23.4
109.02868	1.5
109.06509	27.8
109.07253	1.3
109.10149	11.0
111.04428	4.5
111.08041	9.4
115.05415	1.0
117.06986	10.9
119.04952	1.8
119.08559	20.9
121.06475	20.6
121.10109	17.6
123.04361	1.1
123.08038	8.0
123.11681	1.2
125.09613	21.8
129.05482	1.1
129.06961	12.1
131.04930	1.8
131.08545	20.6
133.06480	7.2
133.10123	9.2
135.04414	1.7
135.08025	12.9
135.11729	4.9
137.05873	1.0
137.09607	4.2
139.11191	5.3
141.07007	1.8
142.07765	1.6
143.08499	3.4
145.02779	1.3
145.06425	8.0
145.10139	9.0
147.04405	8.6
147.08047	7.3
147.11639	9.4
149.09567	8.7
153.09077	5.0
153.12784	1.3
155.08546	3.7
157.06509	1.9
157.10101	14.3
159.08014	3.7
159.11716	2.3
161.09587	4.9
163.03870	7.2
163.11162	4.9
165.12683	1.3
167.08524	1.8
167.10696	1.1
169.10123	2.0
171.08041	4.0
171.10208	1.1
171.11674	2.1
173.09607	2.4
173.13229	5.5
175.11145	12.8
177.12587	1.4
183.11703	1.5
185.09607	1.8
187.11110	1.5
189.09288	1.6
189.11180	10.2
189.12669	1.9
191.14336	6.7
193.10362	1.9
193.12192	26.7
195.11664	1.7
197.09535	1.5
197.13257	2.4
199.11209	1.8
201.12779	1.5
205.12286	1.4
211.13231	1.8
215.14285	4.1
217.12134	1.4
219.13728	15.5
221.11661	1.1
227.12473	1.5
227.14427	1.7
233.15320	6.8
237.12715	2.1
245.15288	1.5
249.14816	3.7
255.13817	1.7
259.15295	7.7
267.15836	49.3
273.14667	10.3
275.16422	2.0
276.87750	1.0
283.15530	1.4
293.17413	6.5
301.16406	1.7
339.23187	2.1
349.21609	6.2
357.24069	2.1
367.22617	20.3
385.23737	27.6
403.24789	8.0
441.26190	7.7
451.26715	6.7
459.27316	96.6
460.27725	2.1
477.28391	100.0
478.28937	2.2
491.30060	10.2
495.29611	7.3
509.31125	1.4
527.28595	1.1
575.20471	1.0
608.41583	1.2
701.94049	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01860	3.4
55.05504	8.1
57.03430	5.6
57.07063	0.6
61.02914	11.0
65.03909	1.1
67.05494	18.7
69.03067	0.9
69.03419	21.6
69.07047	9.3
71.04958	3.3
71.08585	0.7
73.02889	3.9
79.05482	13.6
81.01407	0.6
81.03407	9.5
81.07040	35.0
83.01345	0.7
83.04993	0.8
83.08596	3.7
85.02890	100.0
87.04439	2.6
91.03923	2.6
91.05460	14.2
92.08707	0.7
92.09190	1.2
93.07023	30.9
95.04955	4.8
95.08586	52.9
97.02872	29.4
97.06516	1.2
97.10149	1.4
99.04446	6.1
101.02356	0.9
103.03944	1.1
103.05461	0.7
105.03378	7.0
105.04493	0.8
105.07015	45.9
106.07344	0.7
107.04928	2.7
107.08582	40.2
109.02869	9.4
109.06483	2.3
109.10142	34.4
111.04434	1.1
111.08064	0.7
115.03908	0.8
117.06998	0.7
119.04899	3.6
119.08562	34.1
121.06477	1.3
121.10118	26.2
122.19713	0.6
123.04414	1.1
123.08072	0.9
123.11677	7.4
127.03894	22.7
130.07845	0.7
131.08559	3.4
133.08580	0.6
133.10107	19.7
135.04393	1.3
135.11656	10.6
137.05969	1.3
139.03853	0.7
139.11148	3.6
141.06944	0.7
145.04939	27.2
145.10114	3.9
147.04404	9.4
147.11670	33.5
149.13252	1.3
151.11104	0.6
157.10071	0.6
159.11653	2.7
161.13232	11.0
163.03911	0.7
163.05992	12.5
163.14787	5.8
165.12697	1.1
167.07022	4.5
169.09999	0.7
175.14716	5.6
177.05449	1.3
177.16360	5.0
185.65479	0.6
189.16429	0.7
201.16251	0.9
203.17926	50.0
221.18965	14.5
236.08611	0.6
289.09021	0.8
325.11215	10.1
365.23349	1.2
576.10815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91526	0.9
53.00291	1.2
53.03927	7.4
53.31814	0.8
55.01864	4.3
55.05501	14.5
56.26308	0.8
57.03435	7.3
57.07062	4.8
61.02921	9.9
65.03934	1.4
67.05137	1.9
67.05487	44.4
69.03413	20.7
69.07052	21.9
70.06560	1.3
71.04972	4.2
73.02892	4.4
79.05469	24.5
81.03398	9.6
81.07033	59.9
81.67847	1.0
83.04980	2.1
83.08601	5.3
85.02887	100.0
85.06530	10.7
85.38000	1.0
86.03244	1.1
87.04465	3.8
91.03918	4.7
91.05455	35.8
92.08807	1.3
93.07021	99.6
93.10905	1.1
95.04967	10.2
95.08581	65.8
96.08870	1.1
97.02863	33.2
97.10116	1.9
99.04426	7.2
101.02371	1.3
105.03378	17.7
105.07007	82.8
107.04945	1.8
107.08572	83.7
109.02863	9.8
109.06510	6.6
109.10136	86.6
111.04433	2.1
111.08030	1.3
115.03908	2.0
115.48441	1.3
117.06982	3.9
119.04913	10.3
119.08555	59.8
121.02840	1.4
121.06492	1.5
121.10121	36.3
123.04394	1.8
123.08053	1.8
123.11671	10.5
125.09621	1.2
127.03883	21.6
129.05434	1.0
131.08530	7.7
133.10098	32.9
135.11664	60.9
137.05933	4.1
137.09618	1.6
139.03824	1.4
139.11160	1.4
143.08514	1.4
145.02901	1.2
145.04935	30.9
145.10114	11.1
147.04379	29.3
147.11664	61.8
149.13191	4.1
151.11214	1.1
157.10062	1.2
159.11661	4.5
161.09486	1.7
161.13231	19.1
163.03879	6.9
163.05972	12.0
163.14772	1.4
165.12750	5.3
170.67644	1.1
171.11615	1.3
173.13245	1.2
173.48254	1.0
175.14809	6.3
177.05481	1.6
183.16512	1.0
189.16248	1.2
189.72202	1.1
201.16408	2.0
202.16705	1.3
203.17921	74.1
221.18922	15.6
267.16168	1.1
279.08472	1.6
325.11319	10.5
365.22964	1.7
425.12231	1.2
671.72314	1.2
738.21613	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.4
53.03930	3.3
55.01631	0.4
55.01860	3.7
55.05495	7.7
57.03429	5.7
57.07066	0.7
61.02910	10.9
65.03918	1.0
67.05140	0.8
67.05488	18.2
69.03411	21.5
69.07058	9.0
71.01327	0.5
71.04972	3.5
73.02895	5.3
79.05473	16.3
81.03393	9.3
81.07034	38.3
83.01311	0.7
83.04958	2.2
83.08611	3.7
85.02885	100.0
85.06527	1.0
87.04452	2.4
89.48112	0.4
89.74770	0.4
91.03947	3.7
91.05458	18.3
93.03391	0.4
93.07020	32.3
95.04945	8.8
95.08579	44.3
97.02867	29.5
97.06500	2.2
97.10138	1.9
99.00793	3.4
99.04419	5.5
99.08041	0.4
100.11214	0.6
101.02363	2.6
103.03940	0.9
105.03369	16.7
105.04454	0.5
105.07007	47.9
106.03748	0.6
107.04967	1.8
107.08573	40.6
109.02852	10.2
109.03518	0.6
109.06496	2.8
109.10136	33.3
111.04436	2.1
111.08054	0.9
111.11689	0.4
115.03900	0.7
117.07012	1.8
119.03411	2.4
119.04877	4.9
119.08553	33.2
119.53635	0.5
121.02860	0.6
121.06436	0.5
121.10115	20.8
121.10978	0.9
123.04416	2.2
123.08089	0.8
123.11675	7.7
125.09631	1.8
127.03882	20.3
128.06206	0.4
131.08560	3.0
133.10106	22.3
135.11661	11.7
137.05988	0.9
139.03952	0.8
139.11140	0.6
143.08533	1.0
145.04930	27.5
145.10075	4.5
147.03252	0.6
147.04370	13.0
147.11656	32.4
149.05945	0.5
149.13237	2.0
151.11165	0.7
153.12743	0.6
155.08559	0.7
157.10068	1.8
159.11690	2.5
161.13205	10.9
163.05974	10.7
163.11131	0.5
163.14818	3.2
165.12706	2.9
167.06996	2.0
171.02963	0.6
171.11642	0.7
173.09613	0.5
173.13235	1.7
175.14793	4.6
177.05435	2.1
177.16338	7.2
187.14914	0.6
189.16386	0.6
201.16406	1.7
203.17908	47.4
204.18340	0.7
205.19502	0.7
215.17825	0.6
217.03389	0.7
221.18977	10.1
223.05959	0.8
227.17796	0.5
231.17267	0.4
246.13605	0.5
261.07492	0.7
279.08600	4.2
289.09244	0.9
299.05377	0.9
311.19839	0.5
325.11148	8.5
329.21228	0.8
365.23148	1.7
383.24130	0.9
495.11411	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.05516	0.5
59.04985	0.6
61.02894	0.4
64.12281	0.3
65.03931	0.4
67.05492	1.2
69.03406	1.6
69.07056	0.4
69.81664	0.3
70.06595	0.4
79.05475	0.8
81.03382	0.6
81.07049	2.0
83.04967	0.6
85.02886	6.7
91.05465	6.6
92.08813	0.4
93.07028	2.7
95.04947	1.5
95.08572	0.6
97.02866	1.8
99.04390	0.4
105.03384	1.4
105.07015	6.8
107.04935	0.4
107.08598	5.4
107.99194	0.3
109.02839	0.4
109.06488	2.2
109.10151	2.0
111.04439	0.4
112.59253	0.3
117.07038	1.2
119.04926	20.9
119.08563	9.1
121.10108	1.5
123.08028	2.2
123.11691	3.7
129.06929	0.5
130.07771	1.5
131.04869	0.4
131.08546	1.6
133.06482	3.9
133.10106	1.5
134.47572	0.4
135.08006	0.4
135.11642	2.2
137.06055	0.3
137.08653	0.5
137.09601	9.4
143.08525	1.5
145.10118	10.4
147.04395	100.0
147.08014	1.6
147.11668	17.6
148.04759	1.3
149.09625	0.6
151.07504	0.4
153.09138	0.5
155.67137	0.4
156.09346	3.3
159.08034	0.7
161.13245	2.0
163.03827	0.7
171.11646	3.4
174.10364	0.5
177.12822	0.4
179.03262	0.4
189.12717	77.6
190.13065	0.7
207.13786	9.9
225.14835	3.1
252.97351	0.4
255.49892	0.3
339.10767	4.3
343.81897	0.4
351.17691	0.5
358.61609	0.4
369.18707	1.4
386.21222	0.4
393.19485	0.4
404.22485	0.5
476.18262	0.4
627.88568	0.4
678.01117	0.4
706.57538	0.4
717.78680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	0.4
53.03715	0.2
53.03942	3.1
53.81192	0.1
54.18974	0.1
54.70533	0.1
55.01869	0.9
55.05506	1.0
57.03218	0.1
57.03435	1.8
57.46338	0.1
59.04992	0.1
60.04505	0.5
60.14165	0.1
61.02900	0.4
67.05490	1.8
69.03416	7.3
69.07074	0.4
71.01343	0.1
71.04984	1.1
72.75750	0.1
73.02896	0.3
77.03913	0.4
79.05474	5.7
81.03399	17.5
81.07040	1.6
83.01331	0.1
83.04963	1.0
83.08604	0.8
84.49326	0.1
85.02891	8.3
87.04436	0.6
91.05450	1.9
93.07027	1.2
95.04327	0.1
95.04948	6.3
95.08583	0.8
97.02872	13.8
97.06525	0.2
97.10149	0.2
99.04441	2.6
99.93968	0.1
103.03898	0.2
105.03374	100.0
105.06977	1.5
106.03722	1.0
107.04935	0.7
107.08570	0.7
109.02862	9.7
109.06504	0.6
109.10140	0.9
111.04440	0.5
111.08084	0.3
115.03922	1.4
115.05383	0.1
117.07018	0.2
119.04936	0.3
119.08591	1.0
121.06497	0.5
121.10121	0.5
123.04408	9.2
123.08047	0.1
125.09620	0.2
127.03895	6.2
129.05440	0.1
129.07013	0.6
131.04921	0.2
131.08502	0.7
133.04898	0.4
133.06502	0.2
133.10118	0.8
135.04436	0.2
135.07986	0.2
135.11708	0.2
137.06012	0.4
137.09604	0.3
139.03845	0.2
145.04964	1.5
145.06520	0.2
145.10114	0.2
145.35469	0.1
147.04393	0.6
147.11635	0.5
149.05882	0.1
149.09566	0.2
155.08553	0.2
157.10124	0.5
161.05986	0.1
163.03922	0.2
163.11156	0.5
165.05475	0.2
165.09116	0.1
174.21358	0.1
175.11163	0.2
193.12251	0.7
201.05461	0.6
207.06438	0.1
209.11668	0.2
211.13318	0.2
223.06039	0.5
227.12785	0.2
231.06514	1.5
241.07048	0.2
249.07526	20.0
250.07869	0.2
267.08578	20.5
267.15747	1.0
268.08939	0.2
269.20401	0.1
283.15424	0.2
285.16727	0.2
301.16461	0.3
345.09644	0.3
363.10770	0.3
381.11761	0.6
385.23639	0.2
416.15378	0.2
459.27203	2.4
477.28189	1.2
670.26929	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58601	0.1
55.01859	0.2
55.05503	0.8
56.05021	0.2
57.03421	0.4
57.07072	0.4
58.06577	0.4
60.07859	0.3
60.08152	8.0
63.05107	0.2
67.05490	2.3
69.07054	0.8
71.07358	3.8
79.05479	1.5
79.42439	0.2
80.83782	0.2
81.03394	0.3
81.07037	1.3
83.04951	0.3
83.08579	0.3
86.09689	40.2
91.05467	1.0
92.08838	0.7
93.07011	1.5
95.04942	0.4
95.08575	1.2
98.98457	2.4
104.10714	2.4
105.06992	0.8
107.04903	0.3
107.08582	0.9
109.10139	0.4
114.37995	0.2
117.07001	0.2
119.08559	0.2
121.10128	0.4
124.99978	29.1
131.08546	0.8
133.78603	0.2
143.00977	0.7
145.10075	0.3
173.13217	0.2
184.07304	100.0
185.07642	0.3
191.10661	0.2
221.82190	0.2
283.15067	0.3
335.25604	1.5
342.96283	0.2
359.88037	0.2
388.29092	0.2
506.90396	0.2
525.35547	0.3
543.36292	1.0
564.03851	0.2
650.43799	8.1
651.43396	0.3
740.46893	7.3
768.45123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.1
53.03934	0.4
55.01865	0.2
55.05502	1.2
57.03441	0.6
58.80597	0.1
59.04979	0.4
61.02910	0.4
63.02351	0.1
67.05486	2.0
68.05824	0.2
69.03409	1.5
69.07048	0.4
71.04979	0.7
73.02899	0.1
79.05468	1.8
80.05832	0.1
81.03392	2.1
81.07037	1.7
82.03738	0.2
82.07361	0.1
83.04945	0.6
83.08602	0.9
83.81091	0.1
85.02890	1.4
85.06533	0.1
86.03250	0.1
86.09698	0.4
87.04441	0.4
89.03890	4.3
90.63458	0.1
91.05448	1.5
92.05751	0.1
93.07021	1.1
93.35665	0.1
95.04941	1.7
95.08577	0.9
96.05289	0.1
97.02860	1.0
97.06496	0.3
97.10139	0.5
98.10493	0.1
99.04444	0.4
105.03365	3.3
105.04454	0.1
105.07009	0.9
107.04930	2.4
107.08549	0.7
109.02844	0.2
109.06475	0.3
109.10136	1.3
110.10464	0.2
111.04416	0.3
111.08052	0.1
113.19236	0.1
117.03352	7.3
117.06998	0.2
119.04884	0.3
119.08540	0.7
121.06528	0.2
121.10149	0.6
123.08089	0.1
123.11696	0.1
124.99953	0.3
125.09592	0.4
126.84039	0.1
127.03891	0.6
129.06979	0.4
131.08496	0.5
133.06464	0.1
133.10114	0.9
135.04384	20.5
135.11664	0.3
137.09602	0.1
142.07790	0.1
145.02818	15.8
145.10080	0.4
147.04367	0.8
147.11639	0.3
149.09613	0.3
157.10074	0.5
159.11638	0.1
162.07854	0.1
163.03864	100.0
164.04187	0.9
173.11710	0.1
173.13335	0.1
175.11104	0.4
177.05400	0.3
177.16397	0.1
181.04900	0.1
184.07317	0.9
186.05461	0.2
193.12227	0.8
194.12526	0.1
208.30391	0.1
210.21111	0.1
211.13255	0.5
212.13580	0.1
228.73779	0.1
229.14238	0.5
230.14505	0.1
233.56879	0.1
246.24074	0.1
267.15768	0.5
268.16049	0.1
285.16888	0.2
307.07971	0.8
325.09091	1.1
349.51855	0.1
383.11356	0.6
440.27170	0.2
441.26852	0.1
459.26974	0.5
476.26782	0.1
477.28314	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
54.87135	0.6
55.01856	4.5
55.05260	0.7
55.05507	11.9
57.03213	0.5
57.03429	8.8
57.07056	1.1
59.04979	1.0
60.08155	9.7
61.02906	4.4
61.08468	0.7
65.03931	0.6
67.05146	1.0
67.05491	25.2
69.03405	0.7
69.07055	7.0
71.04969	1.3
71.07359	3.3
79.05049	1.1
79.05477	19.9
81.03407	5.0
81.06593	1.1
81.07039	21.4
82.96856	0.6
83.01328	4.4
83.04951	6.4
83.08596	7.6
85.02877	4.7
85.06519	0.7
86.09691	47.5
87.10023	9.1
91.05463	10.8
92.09177	3.6
93.07030	24.1
93.07569	0.8
95.04940	4.1
95.08587	13.8
97.02876	1.2
97.06524	3.1
97.10150	1.2
98.98438	3.6
99.04414	1.2
101.80947	0.6
104.10735	1.6
105.07024	9.1
105.11037	0.7
107.04919	3.5
107.08578	12.3
109.06488	3.5
109.10148	5.3
111.04414	0.9
111.08095	1.2
114.82283	0.6
114.94561	0.8
117.07002	5.1
119.08564	7.9
121.06477	0.7
121.10125	9.8
123.08041	3.9
123.11650	0.7
123.26413	0.6
124.99982	38.2
126.00350	3.0
129.06953	0.8
131.08549	5.4
133.10114	3.2
135.08115	0.7
135.11703	6.3
143.08557	0.8
145.10107	8.8
147.11659	2.7
149.13213	1.0
151.22639	0.7
153.12712	0.8
159.11674	1.5
161.13251	1.2
163.11180	9.5
163.14824	1.1
173.09599	0.7
173.13260	0.9
181.12245	1.0
184.07312	100.0
185.07678	21.6
186.07777	4.6
191.10709	1.1
209.11783	0.9
220.75769	0.6
227.12717	1.3
243.21100	0.9
261.22043	4.5
283.15353	24.0
299.23770	0.8
309.26205	0.6
315.09277	0.7
317.24762	1.2
335.25729	22.5
451.32266	0.8
525.35388	1.2
543.36700	18.9
551.39172	1.6
561.38696	0.8
689.45953	5.4
690.45789	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	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	0.8
53.03904	2.1
55.01868	4.2
55.05503	20.6
55.05751	1.1
57.03430	15.8
57.07024	2.1
59.89343	0.3
61.02871	2.1
65.03882	2.4
67.05491	60.8
67.05830	2.2
67.06010	1.7
69.03369	2.2
69.07053	19.6
71.04928	2.5
71.89854	0.4
73.02879	0.9
79.05473	51.6
80.76201	0.4
81.03407	3.1
81.07039	59.7
83.04964	5.0
83.08603	12.9
85.02835	2.1
85.06483	2.3
91.05458	21.7
91.05997	0.7
92.09219	2.6
93.07021	68.7
95.04937	9.6
95.08583	70.6
95.97483	0.4
96.53698	0.5
97.02872	4.4
97.06515	4.8
97.10111	2.6
99.04424	4.8
99.08076	0.7
105.07015	16.5
107.04940	10.1
107.08574	44.8
109.06500	3.0
109.10139	16.1
111.04381	2.1
111.08054	3.1
113.05930	0.5
115.05381	0.7
117.06251	0.7
117.07000	13.7
119.08559	17.4
121.06487	7.2
121.09281	0.9
121.10120	25.6
123.07983	0.8
123.11696	3.7
125.05942	3.2
129.06885	0.6
130.07771	3.3
131.08539	7.2
133.10112	7.9
135.07988	1.9
135.11668	57.7
137.13214	0.8
139.07480	1.8
142.75961	0.4
143.08498	0.5
145.06375	0.8
145.10103	37.6
147.11642	3.8
149.13223	3.5
153.12755	0.4
159.11664	3.1
161.13199	2.3
163.11148	62.4
166.76344	0.4
173.09566	0.9
173.13158	2.5
175.14774	1.7
177.16313	0.7
181.12180	9.6
184.07280	2.7
187.14841	0.8
209.11769	0.8
227.12747	52.8
243.21040	2.0
261.22049	6.2
283.15347	46.6
317.24664	1.8
335.25739	100.0
336.25967	0.9
440.91248	0.5
514.55457	0.5
543.36700	84.6
544.36932	2.1
551.39166	2.6
718.00482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.7
53.03937	4.1
55.01628	0.6
55.01866	14.0
55.05503	40.2
57.03427	31.5
57.07058	4.8
59.04988	4.3
59.05220	0.5
61.02911	12.1
61.64912	0.5
65.03918	1.4
67.05489	80.0
69.03410	5.0
69.07051	24.7
71.01324	2.6
71.04977	7.2
71.08598	0.7
73.02876	4.0
79.05472	70.6
81.03394	16.9
81.07036	89.6
83.01325	16.1
83.04956	19.5
83.08601	26.2
85.02888	15.3
85.06512	3.6
91.03934	4.2
91.05457	43.2
92.08585	1.0
92.09229	3.5
93.07020	95.9
95.04942	15.7
95.08580	66.5
97.02869	9.6
97.06508	8.6
97.10122	6.5
99.04420	5.1
99.08064	1.2
103.05415	1.3
105.04485	1.4
105.07011	30.6
107.04944	10.5
107.08575	51.2
109.02898	0.6
109.06511	12.7
109.10137	20.5
111.04414	4.9
111.08042	4.3
115.05430	0.8
115.14462	0.5
117.06215	1.1
117.06994	19.4
119.08550	25.9
121.06467	5.5
121.10120	33.3
123.08020	11.5
123.11689	7.3
125.05956	3.5
125.09608	3.1
129.06963	3.9
130.07758	2.7
131.08542	16.9
133.10097	15.5
135.08035	1.4
135.10637	1.3
135.11662	32.5
137.09593	2.7
137.13139	1.2
143.08528	3.6
145.06494	1.2
145.10095	32.2
147.08014	3.9
147.11678	7.7
149.09612	2.3
149.13257	8.3
151.11166	0.6
153.12672	3.1
154.38567	0.6
155.08540	2.9
157.10109	1.2
159.11623	9.3
161.13246	5.4
163.11140	36.2
163.14752	3.5
171.11620	1.0
173.09595	4.5
173.13223	4.5
175.14777	2.4
181.12212	4.9
183.11559	0.6
184.07375	0.7
185.13213	0.9
187.14867	4.1
189.11133	1.3
191.10683	3.9
193.12260	0.8
199.14629	0.7
201.16425	0.7
209.11684	8.6
211.13158	1.0
227.12715	12.1
243.21022	5.1
250.00868	0.6
259.20468	1.3
261.22098	16.8
267.15771	0.7
272.03067	0.6
279.23224	0.8
283.15338	87.8
286.31125	1.2
299.23553	4.0
317.24591	4.7
333.24097	0.8
335.25717	100.0
336.26086	1.0
407.17245	0.6
433.30573	1.2
451.32031	3.3
452.37802	0.6
469.32724	2.3
515.37500	0.9
525.35565	5.0
525.92865	0.7
543.36707	82.4
544.37085	1.3
551.39728	5.6
561.37988	4.3
756.71619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.0
53.03933	4.9
55.01877	7.7
55.02079	0.8
55.05506	46.6
57.03429	36.9
57.07067	1.0
59.04719	1.7
59.04991	34.6
61.02921	7.5
65.03920	2.3
65.26695	0.8
67.05492	100.0
69.03419	9.8
69.07057	13.9
71.04977	15.5
71.64310	0.9
73.02898	1.8
77.03910	1.1
79.05475	45.6
81.03403	71.5
81.07040	54.3
83.04974	25.1
83.08605	31.5
85.02892	29.8
85.06517	5.7
86.09678	1.1
87.04456	33.6
91.05460	48.2
93.07024	30.0
95.04948	29.9
95.08578	23.1
97.02862	8.3
97.06473	7.8
97.10151	17.4
99.04434	17.9
99.08082	1.6
99.24982	1.0
105.03360	2.3
105.07012	36.1
107.04950	11.2
107.08592	16.7
109.02864	1.4
109.06469	9.1
109.10144	60.1
111.04445	7.0
111.08073	12.9
113.06007	1.1
113.23417	1.2
115.03907	1.2
115.05386	1.9
117.06998	5.4
118.28802	1.0
118.44355	1.0
119.08565	26.5
121.06477	2.1
121.10117	12.3
123.04382	2.0
123.08034	4.1
125.09583	10.6
129.06978	15.4
131.08540	19.9
133.06468	5.1
133.10110	17.6
135.08076	1.3
135.11667	5.1
137.09579	4.1
142.07758	4.4
143.08588	1.1
145.10139	10.0
147.08043	5.0
147.11702	14.2
149.09587	8.6
151.11165	1.3
153.12743	4.1
155.10672	2.2
157.10086	14.6
159.11639	1.3
163.03853	1.5
163.11180	9.0
165.12653	2.0
168.65181	1.1
173.09526	1.8
173.11740	13.9
175.11119	14.3
191.10597	1.7
193.12209	38.0
199.13310	4.6
209.11671	3.8
211.11449	1.6
211.13254	45.5
225.14856	1.4
227.12733	6.8
229.14317	40.1
241.14325	2.5
267.15863	26.2
283.15393	5.9
285.16882	37.7
286.48981	1.1
313.16525	1.6
315.18002	4.6
378.70627	1.1
383.21948	1.2
409.25699	2.5
421.25751	17.9
427.26718	5.5
439.26825	74.1
457.25427	1.2
475.26791	13.9
493.27914	1.5
525.30023	4.2
543.31451	2.5
590.17175	1.1
609.29602	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81913	0.7
53.03939	6.1
55.01863	18.1
55.05501	30.6
57.03427	27.5
57.07061	2.9
58.06346	0.8
59.04982	1.9
61.02901	1.8
65.03912	0.8
67.05492	45.1
68.73664	0.7
69.03429	7.9
69.07061	11.1
71.01330	1.6
71.04968	4.9
73.02882	5.8
76.72405	0.7
79.05470	42.3
81.03397	100.0
81.07033	34.2
82.04178	4.3
83.01326	0.8
83.04961	23.7
83.08601	27.2
85.02872	5.2
85.06525	3.1
87.04466	0.9
91.03951	0.9
91.05459	38.4
92.08736	3.3
92.09328	2.7
93.07021	27.4
94.07769	1.1
95.04942	40.5
95.08582	15.9
97.02872	7.3
97.06490	11.3
97.10136	16.5
98.07296	5.2
99.04402	1.8
99.08088	1.1
103.05475	0.9
105.03383	2.9
105.06355	1.4
105.07014	25.7
106.72928	0.7
107.04936	19.8
107.08564	15.8
109.02804	1.7
109.06503	8.2
109.10132	14.1
111.04411	9.1
111.08070	12.3
115.05420	3.2
116.04688	13.4
117.05496	3.3
117.06977	9.0
119.04883	1.6
119.08559	24.1
121.02834	3.9
121.06472	8.5
121.10118	12.9
123.04372	1.3
123.08036	7.7
123.11729	1.0
125.09586	15.4
127.07549	0.9
129.04504	1.6
129.05463	33.0
129.06953	16.5
131.04907	0.9
131.08545	16.3
133.06485	5.7
133.10107	11.2
135.04395	5.2
135.08023	4.4
135.11665	13.0
137.05925	0.9
137.09621	3.3
142.07758	3.2
143.07008	6.8
143.08549	1.7
145.06502	1.4
145.10091	10.1
147.04373	3.7
147.08061	6.0
147.11676	13.3
149.05945	1.1
149.09573	8.5
153.09079	1.3
153.12730	15.4
155.07065	0.8
155.08496	1.7
157.08578	12.9
157.10104	13.7
158.05739	1.0
159.11629	1.1
163.03871	4.8
163.11099	12.6
165.12677	3.4
171.10100	4.4
173.09613	3.4
173.11745	2.8
173.13145	1.4
175.11127	9.8
181.12215	8.1
183.11595	1.1
185.11685	1.3
189.09203	1.0
189.11197	9.4
191.10606	4.3
193.12189	26.4
199.13240	4.1
200.14044	1.9
201.12877	1.2
201.14738	1.9
209.11670	6.4
211.13205	5.7
219.13820	4.2
226.56326	0.9
227.12723	24.2
229.12291	1.3
229.14281	9.0
232.14586	1.0
247.13248	17.8
249.14758	3.3
255.15857	1.1
265.14221	1.3
267.15854	62.6
273.14838	1.2
283.15375	12.3
285.16904	0.9
301.16467	28.0
321.16956	9.5
339.17996	1.4
365.21124	0.9
383.21948	1.5
401.22983	1.7
458.26474	1.1
475.26709	15.7
476.27301	1.6
493.27829	24.4
525.30554	1.4
690.56989	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.8
55.01856	12.7
55.05499	15.2
57.03140	0.8
57.03423	21.4
57.07052	1.3
61.02914	1.1
67.05139	1.5
67.05489	39.2
67.05848	1.4
69.03403	4.2
69.07051	9.7
71.04973	6.0
71.07315	0.8
73.02901	1.5
79.05470	28.5
81.03394	100.0
81.07027	31.8
83.04960	38.9
83.08593	20.9
85.02876	7.8
85.06519	5.5
91.05452	27.2
92.09002	6.5
93.07017	34.2
95.04938	31.5
95.08580	14.3
97.02855	5.4
97.06489	9.0
97.10124	5.2
99.04433	6.2
99.08068	2.0
102.02323	0.8
103.05402	0.9
105.03368	4.1
105.07001	21.3
107.04933	12.6
107.08577	21.1
109.02850	3.3
109.06500	10.5
109.10130	18.9
111.04421	80.2
111.08058	31.9
113.00040	0.8
115.03918	1.9
115.05458	1.1
117.06969	8.3
119.04916	1.4
119.08553	23.8
120.08848	1.0
121.06467	5.3
121.10120	30.0
122.03387	1.0
123.04386	0.9
123.08058	4.1
125.05966	4.1
125.09602	2.0
127.03880	1.0
129.05440	1.6
129.06993	12.3
131.08521	18.8
133.06467	4.7
133.10097	12.9
135.04384	0.9
135.08032	3.9
135.11667	26.9
137.05951	1.4
137.09586	3.7
139.07536	1.0
142.07687	1.8
143.08527	2.0
143.30780	1.0
145.02818	1.2
145.10092	26.1
147.04401	1.2
147.08035	6.9
147.11674	13.4
149.09584	12.9
151.11150	1.5
153.12714	36.6
155.08527	4.4
157.10129	9.9
161.05901	0.9
161.09506	1.1
163.07393	1.0
163.11150	58.7
165.12694	1.9
169.49237	0.9
171.11563	1.0
173.09547	9.1
175.11130	10.6
177.05380	3.3
181.12184	54.9
182.12590	0.9
184.07304	5.6
189.09131	1.4
191.10629	43.5
193.12209	24.1
209.11668	15.0
211.13226	2.1
227.12708	42.2
227.14833	1.7
249.14777	1.7
267.15829	84.5
268.16193	1.9
283.15332	65.4
299.14838	1.3
300.15173	1.5
301.16400	27.6
315.17929	20.5
365.20862	1.2
374.06232	0.9
383.22049	5.5
401.23126	1.4
457.25479	4.9
475.26678	31.6
476.26950	1.3
492.26416	1.6
493.27844	94.6
494.28152	1.8
507.29520	24.0
508.29782	1.2
525.29279	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.5
57.07060	0.2
58.06303	0.1
58.06564	0.2
60.08149	7.8
60.08457	0.3
64.76410	0.1
66.30307	0.1
70.06567	0.1
71.07355	3.8
71.08625	0.2
81.03393	0.3
86.09687	41.5
92.08587	0.1
92.09105	0.2
98.98440	3.1
99.99938	0.1
104.10719	3.4
124.99976	29.5
143.01001	0.2
184.07301	100.0
185.07599	0.2
190.33179	0.1
214.16237	0.1
313.27359	0.3
323.16565	0.1
505.38400	0.2
688.45374	13.1
689.45697	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51829	1.1
53.03935	1.1
53.27964	1.1
55.01851	1.4
55.05509	10.5
57.07058	1.1
57.40184	1.1
58.48405	1.1
61.28941	1.1
65.03917	2.0
67.05145	1.8
67.05488	44.3
69.07054	10.5
79.05473	26.7
81.06602	1.8
81.07038	39.8
83.08601	4.7
87.49524	1.1
91.05456	15.6
92.08733	2.2
92.09272	2.8
93.07020	28.1
95.04922	2.1
95.08580	27.4
105.07030	6.4
105.17595	1.2
107.08553	11.7
109.10149	9.1
117.07014	1.7
119.08543	5.3
121.10104	8.1
123.11677	2.4
131.08495	1.8
133.10086	2.3
135.11615	3.0
145.10043	1.5
147.11652	1.8
173.13232	1.5
189.15242	1.6
245.38962	1.3
263.23788	1.3
263.50977	1.3
279.14291	1.2
297.39066	1.2
306.27814	1.3
313.92618	1.3
468.88928	1.4
597.48737	100.0
627.19562	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60819	1.6
55.05486	1.9
57.07074	1.7
57.33281	1.6
59.33215	1.4
59.92147	2.0
65.03893	1.5
67.05490	4.4
71.08605	1.9
73.02884	1.8
79.05454	1.7
81.07006	2.9
83.08588	1.9
85.02879	2.2
86.09690	19.3
87.09985	2.9
91.05456	3.3
92.08888	12.1
95.08585	8.1
98.98427	3.9
113.61479	1.7
119.08556	1.9
124.99972	13.3
127.00465	1.9
132.75885	2.1
184.07318	35.5
185.07574	9.3
186.07791	3.0
202.36966	1.8
421.56839	2.4
483.18448	3.4
511.28412	3.6
563.39600	2.9
685.88757	2.4
739.42059	100.0
740.42664	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	738.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.7
54.82002	0.2
55.05493	1.1
57.03428	2.7
61.02914	0.4
67.01857	0.5
67.05488	1.3
69.03412	8.4
69.07047	1.2
71.04974	0.6
79.05469	1.1
81.03397	31.5
81.07034	1.8
83.08599	1.7
85.02877	1.2
86.09697	0.3
91.05433	0.6
92.08887	2.1
93.07019	0.6
95.04965	0.3
95.08595	1.9
97.02866	12.3
97.10172	0.4
99.04431	2.8
99.21696	0.3
105.07014	0.7
107.08578	0.4
109.02859	100.0
109.10149	1.1
117.05470	8.4
119.08554	1.1
121.10107	0.4
123.11662	0.4
127.03893	18.2
139.03853	3.6
159.06483	9.4
169.04918	13.3
175.55618	0.3
184.07385	1.1
187.05994	1.4
214.49132	0.3
225.41536	0.3
229.07050	7.4
262.43506	0.3
289.09146	3.4
299.25659	0.3
397.29407	8.2
415.30225	2.0
573.53406	0.3
608.48163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	43.2
55.01851	2.5
55.05502	27.1
57.03428	38.8
57.07063	12.1
61.02907	17.9
67.01842	13.5
67.05492	37.5
69.03407	22.0
69.07054	35.0
71.04971	4.6
71.08593	4.1
79.05464	14.7
81.03404	62.6
81.07039	59.7
83.08601	35.6
85.02881	15.7
86.09699	3.7
91.05453	13.6
92.09139	3.1
93.07005	16.9
95.08590	55.2
97.02874	37.5
97.06528	4.6
97.10139	25.7
99.04420	16.8
103.98720	2.8
107.08586	6.7
109.02860	84.9
109.10121	27.8
111.11699	4.0
111.21280	3.0
117.05475	100.0
119.08539	6.5
121.10114	4.4
123.11691	12.2
127.03899	66.5
135.11627	4.1
137.13248	4.2
159.06502	66.6
184.07268	14.3
187.05952	15.0
190.90398	3.0
247.00957	3.6
247.08092	11.9
263.23511	4.6
299.25739	95.7
384.21024	3.7
407.41733	3.5
439.30203	13.0
457.31439	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	738.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.1
55.01868	36.2
55.05505	44.8
57.03425	35.9
57.07049	4.6
61.02914	6.8
62.74185	4.1
63.96255	3.8
67.05502	99.9
69.03423	18.7
69.07051	19.6
71.04974	7.4
71.09264	3.9
73.02905	10.6
79.05473	74.6
81.03397	37.6
81.07034	61.5
82.07446	4.9
83.04970	69.0
83.08616	25.4
85.02894	20.0
85.06537	7.0
91.05466	50.5
92.08878	13.6
93.07027	57.8
95.04961	44.4
95.08613	32.3
97.02892	11.2
97.06524	18.6
97.10155	24.8
99.04444	10.7
105.07018	36.5
107.04965	19.1
107.08570	46.5
109.02887	8.6
109.06493	8.9
109.10158	36.3
111.04434	100.0
111.08057	42.4
112.52139	4.0
115.03932	8.1
116.04658	6.2
117.06998	10.3
119.04891	7.4
119.08601	44.9
121.06481	10.0
121.10117	43.9
123.08034	7.5
125.05984	8.1
125.09622	25.1
127.03921	5.8
129.05496	39.7
129.07030	5.6
131.08589	26.5
133.10120	18.8
135.07990	7.6
135.11691	45.0
142.67702	4.9
143.07080	6.1
143.08597	5.9
145.02812	5.3
145.10112	35.5
147.04431	21.8
147.11681	19.4
149.09627	22.1
153.12747	55.8
157.08652	8.6
161.09537	4.8
163.03984	5.5
163.11156	67.6
173.09674	9.2
181.12215	65.0
189.11110	4.6
191.10649	52.1
209.11728	29.9
227.12784	73.9
267.15860	11.3
283.15350	43.9
301.16461	52.0
315.18066	64.0
317.97446	4.8
469.27451	9.1
493.27615	6.4
523.28748	19.2
524.30084	8.8
541.29865	74.8
547.15540	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	738.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91853	1.4
53.03925	2.4
55.01863	33.8
55.05259	2.8
55.05502	34.7
55.29717	1.4
57.03419	28.2
57.07060	3.4
59.05001	2.9
61.02914	8.4
65.03904	1.8
67.05489	61.6
69.03405	10.4
69.07063	13.3
71.04979	7.6
73.02901	8.8
79.05470	45.8
80.68699	1.7
81.03388	21.7
81.07037	48.0
82.04180	2.9
82.21365	1.7
83.04961	59.4
83.08594	21.5
85.02892	15.1
85.06509	2.9
87.04452	9.0
91.05450	33.3
92.09129	15.3
93.07021	51.5
95.04944	23.9
95.08578	18.7
97.02853	14.1
97.06512	19.3
97.10151	14.0
98.07289	8.8
99.04422	10.2
99.08057	3.1
99.42148	1.7
105.03361	3.5
105.07021	24.0
107.04929	14.4
107.08581	29.7
109.02868	3.7
109.06520	8.9
109.10144	30.8
111.03648	3.4
111.04417	100.0
111.08050	33.2
115.03915	11.1
116.04711	14.9
117.07016	11.5
119.04869	4.1
119.08546	23.4
121.06469	4.4
121.10129	33.9
123.08020	2.9
125.05976	3.9
125.09651	13.6
127.03916	3.8
129.05461	40.0
129.06998	8.6
131.08539	22.4
133.10146	8.6
135.04350	1.8
135.08066	9.3
135.11671	32.0
137.05855	2.2
137.09622	7.2
143.07036	8.7
143.08554	3.0
145.10114	31.0
147.04376	7.2
147.08035	3.9
147.11589	13.5
149.09581	15.1
151.11098	3.2
153.12706	40.0
155.08540	2.8
157.08589	21.5
157.10097	7.1
163.03888	3.7
163.11140	69.4
165.12550	2.3
171.06563	2.2
171.10060	3.2
173.09610	13.6
175.11043	2.6
181.12184	61.7
189.11218	8.1
191.10635	44.8
193.12187	4.4
199.13307	8.7
209.11661	24.4
227.12730	64.5
241.14322	4.3
267.15741	12.5
283.15359	39.6
301.16406	57.7
315.17960	58.5
469.27911	4.3
493.28516	2.0
507.29562	4.2
509.27588	2.4
523.28796	10.0
524.29657	13.9
527.28601	8.5
541.29993	86.7
638.14038	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	2.3
53.03942	5.9
54.81729	0.6
55.01865	6.5
55.05507	24.6
57.03146	0.9
57.03428	23.9
59.04986	3.1
61.02908	1.2
65.03925	0.7
67.05491	21.7
69.03410	4.7
69.07056	5.7
70.79915	0.6
71.01340	2.5
71.04987	4.5
73.02888	1.3
77.66468	0.6
79.05480	21.9
81.03403	100.0
81.07038	29.3
83.04977	6.8
83.08606	30.5
85.02892	3.6
85.06529	2.7
87.04420	0.8
91.05463	38.2
92.08829	3.0
93.07023	27.5
95.04946	31.5
95.08586	11.3
97.02882	9.4
97.06489	4.4
97.10155	9.6
99.00793	20.2
99.04414	1.0
99.08059	1.4
103.05453	2.8
105.03364	1.2
105.07013	29.0
105.70243	0.5
107.04279	1.1
107.04939	17.8
107.08580	14.1
109.02862	20.1
109.06519	9.0
109.10147	6.6
111.04449	5.0
111.08064	11.3
111.83154	0.5
115.03908	3.1
115.05428	1.1
117.06998	5.4
119.04958	2.5
119.08555	25.1
121.02901	0.7
121.06491	14.3
121.10111	9.6
123.04389	3.3
123.08038	5.5
123.11665	3.1
125.02364	0.7
125.09617	7.0
127.03860	2.7
128.06180	2.8
129.06993	12.0
131.08551	12.0
133.06456	5.5
133.10106	44.4
135.08043	3.3
135.11681	2.2
137.05960	3.2
137.09599	4.5
139.07501	5.0
142.07768	3.1
143.08540	7.7
145.06476	2.3
145.10103	3.5
147.04387	1.4
147.08064	4.8
147.11659	9.4
149.09575	6.1
151.11176	13.6
153.06979	1.1
153.09076	1.1
155.08569	1.0
157.10088	12.6
159.11601	0.7
161.05965	0.7
161.09592	24.9
163.11130	1.4
165.09091	0.8
165.12762	2.3
171.08028	6.0
175.11130	9.5
179.10625	10.8
189.09076	16.9
189.11127	3.8
191.14235	1.2
193.12216	26.3
197.11734	3.4
205.12225	1.1
207.10040	4.7
211.13226	2.4
219.13786	9.1
223.13271	1.0
225.11150	13.5
227.12814	2.8
237.14574	0.6
243.12253	1.1
249.14780	1.2
263.12753	0.8
267.15857	79.1
268.16150	1.2
281.13818	5.4
299.14841	66.0
300.15262	1.1
300.70459	0.7
353.21124	0.8
381.20435	0.8
399.21329	1.0
417.22543	2.6
445.25851	9.3
455.23892	1.1
463.26968	6.7
473.18491	1.0
473.25293	28.1
491.26315	91.2
492.26712	4.4
509.27298	6.2
533.27271	2.6
738.17273	11.2
739.17017	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	737.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.8
53.03931	1.1
54.17041	0.7
55.01870	3.5
55.05508	8.5
55.05719	0.7
57.03432	9.0
59.62893	0.8
61.02918	1.1
67.05503	11.1
68.05840	1.3
68.17226	0.8
69.03429	1.9
69.07056	5.1
71.04981	1.4
79.05463	7.8
80.05812	1.4
81.03417	12.0
81.07053	10.9
82.03742	1.1
82.07394	2.2
83.04971	6.4
83.08611	4.3
85.02896	7.6
86.09718	1.0
86.71130	0.9
91.05470	12.1
92.05772	1.4
93.07036	10.6
94.07392	1.2
95.04939	8.7
95.08605	6.1
96.05325	1.3
97.02888	1.7
97.06532	2.1
97.10158	2.0
99.04417	1.0
105.03384	4.0
105.07017	9.1
106.06617	0.9
106.07358	1.0
107.04952	4.0
107.08603	5.4
109.02930	1.1
109.06512	1.2
109.10154	5.0
111.08057	1.3
116.04745	3.6
117.07036	1.1
118.06571	1.7
119.08582	6.1
121.06521	1.4
121.10146	4.4
123.04427	1.0
123.08019	1.0
125.09644	1.1
127.03917	1.1
129.05484	2.1
129.07005	1.8
131.08557	4.1
133.06462	1.1
133.10150	5.7
143.08606	1.2
145.10158	2.1
147.04424	5.0
147.11713	4.4
157.08656	1.6
157.10182	1.6
158.10448	1.2
159.11749	1.4
161.09708	1.3
165.12761	0.9
175.11235	2.3
191.10719	1.0
192.57579	0.9
193.12274	6.1
194.12535	1.6
204.89259	1.0
211.13330	6.0
212.13690	1.7
228.26097	0.9
229.14439	1.2
242.53534	0.9
255.66141	1.1
267.15921	1.5
268.16196	1.3
276.65042	1.0
283.15387	1.2
285.17059	1.6
286.17233	4.1
301.16714	1.2
328.17590	1.4
329.17883	1.8
333.08487	1.0
440.27173	1.6
449.08380	9.5
521.29510	1.0
522.31085	1.4
539.30060	4.2
686.80298	1.0
718.52979	1.0
737.16760	100.0
738.17682	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	736.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67172	1.4
53.03932	1.5
55.05497	9.2
57.03426	2.5
65.74641	1.5
67.05490	30.7
69.07050	8.4
79.05470	39.5
81.07040	31.3
91.05452	19.9
92.08873	16.5
93.07019	39.8
95.04950	3.5
95.08587	21.7
105.04519	1.5
105.07024	11.8
107.08566	11.8
109.10138	6.9
117.06986	2.1
119.08575	9.5
121.10096	12.2
123.08023	1.5
131.08525	2.7
133.10133	3.7
135.11632	3.3
145.10081	3.3
146.19322	1.7
147.22720	1.7
161.13254	1.8
180.54141	1.6
304.26367	2.6
311.36316	1.5
431.32004	1.9
464.81339	2.1
589.31665	1.7
595.47095	100.0
715.11298	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	0.9
62.13530	0.9
62.20739	0.8
63.91363	1.0
67.05502	1.5
69.03407	0.9
74.41550	0.9
79.05492	1.2
80.45804	1.0
81.07063	3.4
91.05468	1.0
91.07229	1.0
92.08714	2.1
97.10159	1.3
105.03371	1.4
105.07040	2.3
109.10127	0.9
117.72057	0.9
133.02722	1.2
133.10097	1.8
147.04411	1.2
149.09708	1.0
161.09541	1.0
163.03879	1.1
188.00798	0.9
221.72903	1.0
310.43198	1.1
415.93204	1.0
449.08475	11.3
737.16718	100.0
738.16943	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
54.81445	1.3
55.01861	2.2
55.05503	3.3
57.03420	1.7
61.02845	1.0
61.79605	1.3
65.34425	1.3
67.05504	9.5
69.03407	3.4
70.23756	1.2
79.05467	7.6
81.03392	11.8
81.07031	8.2
83.04965	1.6
83.08608	2.3
84.00511	1.4
85.02874	2.6
89.78617	1.4
91.05454	11.9
92.05796	1.4
92.08969	1.8
93.07033	8.4
95.04932	7.6
95.08603	3.0
97.02872	8.5
102.48809	1.4
105.03371	18.1
105.07024	8.6
106.03682	2.3
107.05006	1.5
107.08569	6.4
109.02872	10.3
109.10144	3.0
111.04377	1.5
111.08025	2.1
119.04924	18.7
119.08585	6.5
121.10153	1.8
123.08084	2.1
131.08536	2.2
133.10121	2.2
135.11774	1.6
137.05969	2.8
145.10069	1.9
147.04395	100.0
148.04744	19.3
160.44168	1.3
163.03822	2.0
163.11195	2.8
193.12328	2.7
211.13353	1.7
227.12732	1.9
229.14331	1.4
262.23615	2.7
267.15765	3.0
283.15393	1.5
301.45004	1.5
321.13898	1.5
382.43610	1.7
475.26703	2.0
491.09366	11.1
737.16699	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	736.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77076	0.5
54.96448	0.5
56.05003	0.6
57.07065	0.7
60.08144	9.7
60.22362	0.5
62.50242	0.6
67.05501	0.8
69.07083	0.5
71.07368	5.4
73.25607	0.5
75.12437	0.5
79.05458	0.8
81.07038	1.0
81.59399	0.6
83.08600	0.5
86.09688	49.7
92.96938	0.6
93.07069	0.5
95.04980	0.7
95.08598	0.9
98.98435	5.1
104.10713	2.2
124.99979	30.2
130.01563	0.6
184.07295	100.0
313.27307	0.7
361.12970	0.6
438.75165	0.5
573.42236	0.6
665.03693	0.6
728.66888	0.6
736.47607	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53589	0.1
55.05485	0.2
56.05014	0.5
57.03409	0.1
57.07057	0.6
60.08149	9.7
67.05483	0.6
70.06569	0.1
71.07352	4.9
71.08610	0.4
78.67445	0.1
79.05470	0.3
79.95124	0.1
81.03385	0.2
81.07030	0.7
83.04968	0.2
83.08629	0.2
85.02882	0.2
86.09685	50.3
87.09983	0.2
91.05466	0.2
92.08707	0.3
92.09304	0.5
93.07014	0.2
95.08586	0.4
97.06473	0.1
98.98439	3.8
104.10718	3.6
105.07055	0.2
109.10103	0.1
111.04418	0.2
111.08002	0.2
119.08582	0.1
121.10085	0.1
124.99973	35.0
143.01047	0.8
163.11185	0.1
184.07298	100.0
185.07765	0.2
193.12288	0.2
209.11845	0.2
283.15311	0.2
285.16992	0.1
313.27237	0.2
727.16937	0.2
736.47424	13.6
737.47595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
53.97242	0.8
55.01861	10.8
55.05504	29.2
55.26073	0.8
56.05038	1.1
57.03427	28.8
57.07067	1.1
59.04996	0.9
61.02913	8.1
63.33700	0.9
65.03941	1.3
67.05488	53.0
69.03407	12.6
69.07053	16.5
71.01366	1.0
71.04980	10.6
73.02882	2.2
75.80613	1.0
79.05473	58.2
80.04984	2.0
81.03397	86.1
81.07033	57.6
82.02945	1.0
83.04966	37.7
83.08594	30.5
84.04496	1.5
85.02884	45.9
85.06541	7.1
87.04399	1.4
91.03916	2.4
91.05459	63.9
93.07022	49.0
95.04942	43.9
95.08577	26.2
97.02850	11.5
97.06508	12.8
97.10144	10.3
99.04424	4.9
99.08064	1.8
101.06007	1.4
102.05494	1.6
103.05450	2.4
105.03369	5.8
105.07012	40.8
106.02888	11.2
106.06541	1.7
107.04929	19.6
107.08571	25.5
108.04501	1.2
109.02840	2.3
109.06503	11.9
109.10126	12.7
111.04417	13.9
111.08043	17.5
113.05999	4.4
115.05413	4.1
117.06977	14.5
118.06511	6.3
119.08558	35.3
120.04426	9.0
121.06488	6.8
121.10117	28.6
122.05962	2.0
123.04378	2.3
123.08059	5.9
123.11697	1.6
125.05972	1.9
125.09599	2.4
126.05512	1.8
127.03881	5.7
127.07557	1.3
128.06233	2.0
129.06975	23.5
130.06511	1.5
130.07791	1.5
131.04941	3.8
131.08528	27.2
133.06429	6.9
133.10101	20.0
134.06036	5.9
134.09595	1.0
135.04376	0.9
135.08031	3.9
135.11667	13.9
137.05951	2.3
137.09584	2.5
138.05463	2.1
139.11197	2.4
141.06999	1.6
142.07787	6.4
143.07312	1.5
143.08522	2.1
144.08067	6.1
145.06468	5.4
145.10089	18.8
147.04396	4.7
147.07037	1.0
147.08018	9.1
147.11667	22.7
148.07581	4.3
149.09590	13.7
151.07628	1.0
151.11197	4.0
153.12767	1.9
155.08522	7.4
156.08121	1.9
157.08881	2.3
157.10071	19.7
161.09616	1.3
163.03868	5.0
163.11145	14.2
164.04259	1.7
165.06973	2.2
165.09151	1.0
165.12753	3.9
167.07184	1.2
167.10625	1.5
172.11188	5.2
173.09547	11.2
175.11134	20.1
177.05495	1.6
181.12199	6.0
182.09679	1.8
190.12212	5.6
191.10567	9.0
193.12210	50.9
197.19681	1.0
200.10675	4.8
209.11674	7.6
211.13235	62.5
218.11749	1.7
227.12726	5.7
230.26762	1.0
236.12775	11.2
254.13858	4.5
259.62177	1.1
263.40057	1.1
267.15884	26.3
276.15906	1.8
283.15375	9.1
285.16895	59.7
287.05508	4.0
288.05789	2.1
292.15305	12.5
294.16794	1.6
301.16312	1.9
310.16431	8.3
312.18054	1.3
328.17462	60.5
446.25262	1.6
464.31070	1.2
484.26578	6.6
493.27744	1.4
502.27896	18.7
503.51596	1.4
520.28833	25.4
538.30005	100.0
556.30402	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
56.05014	0.6
57.03409	0.1
57.07051	0.7
58.06591	0.2
60.08151	8.6
60.08458	0.3
67.05470	0.5
69.07058	0.2
70.50111	0.1
71.07355	4.6
79.05478	0.2
81.03377	0.5
81.07045	0.8
83.08614	0.2
85.02872	0.2
86.09688	45.0
87.10019	0.1
91.05458	0.2
92.09097	0.8
93.07013	0.2
95.04916	0.1
95.08575	0.5
97.10141	0.1
98.98447	3.4
104.10725	2.9
105.06995	0.2
107.08569	0.2
109.10112	0.1
119.08570	0.2
121.10149	0.2
124.99979	32.5
139.68275	0.1
143.01041	0.6
147.11710	0.2
175.11086	0.1
184.07304	100.0
185.07664	0.2
188.73848	0.1
193.12227	0.5
211.13269	0.5
274.60748	0.1
313.27454	0.5
333.24683	0.1
354.53867	0.1
456.19202	0.1
523.39648	0.7
593.45135	0.1
716.48718	0.2
734.49512	10.9
735.50189	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86527	0.8
53.03944	6.9
53.17425	1.0
55.01852	11.8
55.05503	32.6
55.05754	2.1
56.05023	1.4
57.03426	30.2
57.07069	1.7
59.05003	2.0
61.02916	11.1
65.03932	2.3
67.05486	52.7
67.59932	1.0
69.03408	10.9
69.07051	21.2
70.06580	1.4
71.04985	13.6
71.69506	1.0
73.02898	1.8
79.05469	63.3
80.04996	1.5
81.03393	93.5
81.07030	67.1
81.07520	1.0
83.04955	35.2
83.08598	33.0
85.02880	44.8
85.03352	1.8
85.06534	6.4
91.03953	2.3
91.05456	65.8
91.09892	1.0
92.08630	2.5
92.09252	5.6
93.07018	49.1
95.04939	45.4
95.05500	1.8
95.08579	24.0
96.04475	1.4
97.02850	11.3
97.06527	10.5
97.10130	8.2
98.99121	1.2
99.04456	5.1
102.05546	1.3
103.05452	1.7
105.03397	6.0
105.07001	46.1
106.02897	13.0
106.06553	4.2
107.04940	19.8
107.08566	23.8
108.04466	2.4
109.02881	4.1
109.06504	12.4
109.10139	13.4
110.06033	1.5
111.04422	17.3
111.08060	17.1
113.06020	4.5
115.05480	2.1
116.04972	1.4
116.54021	1.1
117.07003	13.9
118.06563	4.6
119.04932	2.2
119.08553	39.1
120.04435	9.0
121.06475	9.3
121.10106	30.7
123.08066	6.5
123.11692	2.6
125.06009	2.4
125.09639	4.9
127.03926	5.0
127.07508	1.7
129.06978	24.5
130.06502	1.5
130.07758	1.5
131.04930	2.4
131.08542	31.0
133.06512	6.8
133.10109	22.0
134.05984	5.5
135.04466	1.4
135.08075	4.0
135.11653	15.3
137.05983	2.1
137.09599	5.8
138.05513	2.7
139.11168	5.6
139.24512	1.2
142.07756	2.7
143.07271	1.7
144.08080	2.7
145.02832	1.4
145.06511	1.7
145.09010	1.8
145.10100	23.3
147.04269	1.3
147.08006	8.5
147.11662	23.6
148.07562	1.5
149.09590	16.5
151.11093	1.4
152.07095	2.0
153.12796	1.7
155.08488	7.7
156.08040	2.6
157.08876	2.8
157.10062	25.1
158.09653	1.8
161.09674	1.5
163.03937	4.9
163.11147	16.2
165.07005	1.8
165.12764	2.6
167.07042	1.9
172.11227	5.8
173.09552	9.5
175.11122	20.7
181.12152	10.1
184.11122	1.2
184.46794	1.2
190.12204	2.7
191.10649	9.7
193.12192	52.9
193.13904	2.1
199.73114	1.0
200.10690	5.1
201.09109	1.5
207.45448	1.1
209.11771	6.9
211.13252	65.3
218.11798	1.5
227.12732	11.0
236.12767	9.2
237.60664	1.1
254.13918	1.8
267.15854	23.1
276.15903	2.2
283.15225	8.6
285.16888	63.3
287.05490	1.4
288.05771	2.4
289.06253	1.6
292.15347	10.7
301.16534	2.2
310.16431	10.0
328.17471	59.8
484.26575	5.4
502.27896	22.3
520.28979	28.1
538.29980	100.0
556.31134	2.4
627.57764	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.7
53.08368	1.8
55.05492	15.0
57.03430	20.6
57.07063	39.8
60.08137	3.8
60.53652	2.1
65.34649	1.9
67.05485	39.0
69.07050	27.5
71.08608	31.3
74.09760	2.0
79.05476	17.7
81.07032	100.0
81.13855	1.9
83.04958	4.3
83.08601	17.2
85.02856	3.4
85.10165	19.1
86.09681	23.2
91.05435	24.9
92.08614	3.5
92.09141	9.2
93.07024	14.2
95.01250	3.0
95.04926	2.8
95.08583	44.5
97.06476	5.2
97.10136	3.8
99.00729	2.1
99.08057	3.7
105.07004	43.1
107.08565	15.9
109.06515	5.2
109.10142	11.4
116.07421	2.2
119.08554	31.3
121.10111	26.8
123.11661	32.1
124.99979	17.2
133.10100	4.3
141.01833	2.6
145.10033	3.3
147.11664	77.8
155.77065	2.2
155.78851	2.2
157.10094	3.0
159.11624	2.2
165.12721	25.1
172.70609	2.1
183.13852	2.5
184.07303	58.5
247.11664	2.1
267.15851	73.0
283.15210	2.3
285.16858	76.9
313.27292	87.7
333.28409	2.4
349.61380	2.3
422.15390	2.5
439.97342	2.4
523.39746	86.9
593.45398	4.5
734.48743	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	734.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81963	0.1
56.05020	0.6
57.07061	0.2
58.06576	0.2
60.08151	8.2
65.32778	0.1
67.05491	0.3
70.98718	0.1
71.07354	4.6
71.08601	0.3
74.13275	0.1
79.05447	0.1
79.97790	0.1
81.07043	0.2
82.25687	0.1
86.09689	46.8
87.10015	0.1
91.05446	0.2
92.08702	0.2
92.09200	0.2
93.64613	0.1
95.08575	0.2
98.97852	0.2
98.98443	3.7
104.10724	3.1
105.06966	0.1
109.10142	0.1
116.99512	0.1
124.99980	34.4
136.63820	0.1
143.01064	0.3
184.07304	100.0
185.07727	0.2
191.13728	0.1
313.27277	0.2
578.97577	0.2
734.45947	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	734.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61081	1.4
55.01852	1.7
55.05506	16.2
55.05715	1.6
57.03431	17.2
57.06811	2.4
57.07066	41.0
60.08152	3.5
67.05152	1.8
67.05494	40.4
69.07053	25.6
71.04968	3.0
71.08613	28.8
79.05475	22.7
81.07038	100.0
83.04956	7.9
83.08605	21.4
85.02886	8.4
85.06504	1.9
85.10172	13.9
86.09689	29.6
91.05458	25.4
92.08717	12.3
92.09371	9.3
93.07011	19.1
95.01306	2.8
95.04938	2.3
95.08585	41.9
97.06490	3.8
97.10160	4.4
99.08035	2.8
105.07020	34.7
107.08605	14.6
109.06486	3.8
109.10143	10.7
119.08572	31.4
121.10110	21.9
123.08061	2.3
123.11686	35.6
124.99995	18.4
127.07550	3.9
133.10075	3.6
137.09480	1.9
137.13222	2.3
141.01715	2.1
147.11674	76.0
149.13235	2.1
154.62848	1.9
157.10065	3.4
165.12727	21.9
184.07315	56.4
229.14240	2.6
257.24799	2.4
267.15845	74.3
285.16888	67.0
313.27301	81.9
406.89975	2.3
422.37607	2.3
430.56308	1.9
443.18765	2.0
523.39838	74.5
593.45972	3.0
606.77588	2.2
734.48602	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51001	0.6
54.81821	0.6
55.05501	6.3
57.03423	5.1
57.07043	0.9
58.26532	0.7
60.08141	1.4
61.02904	9.0
61.40358	0.7
62.29950	0.9
63.73336	0.7
67.05495	10.0
67.70493	0.6
68.99313	0.6
69.03402	5.5
69.07059	6.1
71.04957	1.0
73.02891	5.3
76.56454	0.7
76.66807	0.8
79.05482	6.8
81.03400	6.9
81.07035	11.6
83.08598	4.6
85.02891	10.1
85.06525	0.9
86.09676	10.7
87.10003	1.7
91.03912	4.9
91.05485	5.4
93.07021	7.1
95.04942	3.3
95.08578	9.8
97.02868	7.7
97.06519	0.7
97.10158	1.2
99.04385	0.9
101.02374	2.2
105.07018	3.8
107.08575	4.9
109.02849	0.9
109.10156	2.9
111.11490	0.7
115.03864	0.8
119.08548	3.7
119.46779	0.8
121.10088	4.5
123.43800	0.7
124.99986	9.5
127.03912	1.1
129.06912	1.1
131.08502	2.8
132.24936	0.7
133.10065	3.2
133.59450	0.8
135.11642	3.5
141.63628	0.7
157.10106	1.4
161.13184	1.2
184.07272	19.8
185.04181	1.1
185.07651	1.7
193.12234	1.4
195.62500	0.9
199.08810	0.7
211.13260	1.0
233.55151	0.8
243.08307	2.9
285.16901	1.2
325.27252	2.9
326.27710	1.0
335.25681	1.1
441.40741	0.8
455.22632	5.2
519.29120	10.0
535.39301	4.2
536.39905	3.1
732.47412	1.1
733.45587	100.0
734.46265	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	733.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.05487	0.7
55.64531	0.7
57.03422	1.7
58.53349	0.7
60.08149	4.3
61.02913	8.0
61.29438	0.6
67.05482	9.6
69.03400	4.6
69.07063	1.8
69.58607	0.7
71.04974	1.1
71.07371	1.3
73.02893	5.1
79.05476	5.7
81.03394	1.8
81.07033	8.4
85.02898	8.1
86.09167	1.1
86.09686	23.5
86.58434	0.8
87.04445	0.8
87.10036	0.9
91.03934	4.7
91.05457	3.0
92.08958	4.2
93.07011	7.6
95.08592	4.6
95.52277	0.8
97.02849	6.0
98.98477	1.1
101.02357	1.4
105.07011	1.9
107.08595	4.5
109.02869	0.8
109.10139	4.6
109.66082	0.8
119.08617	1.3
121.10124	1.7
124.99967	13.9
127.03871	1.0
131.95702	0.8
133.10098	3.1
135.11784	0.8
184.07298	47.2
185.04274	0.9
185.07692	3.2
221.88300	0.8
230.15634	0.8
237.10928	0.9
243.08241	1.4
335.25998	1.5
358.09375	0.9
398.14227	0.7
455.18878	4.6
519.29144	7.5
725.75061	0.9
732.48151	1.4
733.41034	100.0
734.40887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.3
60.62265	2.3
61.02903	3.5
64.55884	2.4
65.71925	2.0
67.05493	13.4
69.03419	3.0
69.07042	4.7
73.02890	2.9
74.30733	2.2
79.05495	5.9
81.07028	12.9
83.08612	3.1
85.02892	3.2
89.06065	2.5
91.03956	4.3
91.05463	4.2
93.07015	12.1
95.08588	3.7
97.02871	3.3
105.07067	3.5
107.08564	3.3
109.10133	4.1
119.08575	4.1
133.90836	2.6
139.47371	2.6
145.10141	3.8
147.24316	2.6
148.38313	2.6
149.60591	2.2
166.17349	2.7
184.07332	3.2
200.07820	2.7
201.07697	2.5
452.49014	3.2
469.20303	5.5
733.41144	100.0
734.41376	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	733.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71053	0.7
55.05512	1.7
57.03431	3.7
60.08150	3.4
61.02920	9.0
67.05486	9.4
69.03421	5.0
69.07058	1.6
71.07362	1.0
73.02908	4.4
77.74106	0.8
79.05477	6.1
80.80461	0.8
81.03390	1.4
81.07036	7.7
81.85660	0.8
83.08624	1.0
85.02894	7.5
85.06519	0.8
86.09698	20.7
91.03895	2.6
91.05470	5.1
92.09194	6.8
93.07025	7.3
95.04942	1.3
95.08583	4.7
97.02867	8.3
97.92206	1.0
98.98449	1.9
101.02423	0.9
105.07027	1.7
107.08576	4.3
107.13002	0.8
109.10155	3.4
121.10111	1.5
124.99977	16.4
129.05276	1.0
133.10101	4.6
145.10072	1.4
151.70480	0.9
184.07301	47.2
185.04146	0.9
185.07733	3.8
230.58064	0.8
233.36185	0.8
237.10925	1.9
243.08415	1.0
340.97842	0.8
455.18845	5.3
462.35010	0.8
519.29132	7.2
607.78656	1.0
626.84882	1.1
645.94012	0.9
733.41064	100.0
734.41382	2.0
762.17291	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	733.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.7
56.92163	2.6
57.03425	5.4
60.08157	4.5
61.02928	4.5
61.68491	2.3
67.05496	17.0
69.03418	3.9
69.07038	9.4
70.96030	2.1
73.02892	3.4
79.05483	12.7
81.03403	12.1
81.07037	16.2
83.08597	11.8
85.02888	14.7
86.09689	33.6
87.10014	4.1
91.03941	2.7
91.05447	11.8
93.07008	14.4
95.04949	4.2
95.08591	11.7
97.02868	4.1
97.10195	2.8
105.07034	5.8
107.08608	4.9
119.08585	10.5
121.10069	4.9
124.02627	2.7
124.99983	33.1
131.08514	3.4
133.10123	3.1
135.11543	3.1
142.07765	2.5
149.09605	3.1
175.73726	2.3
184.07304	74.2
185.07698	4.5
193.12398	4.9
211.13196	5.6
285.16943	11.4
309.87527	3.3
417.02954	3.6
525.31384	3.1
535.39996	4.0
536.39795	6.1
733.39465	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	732.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27489	1.6
54.08086	1.8
55.05495	19.1
56.05017	3.2
57.07065	8.0
60.04511	92.6
63.27856	1.7
67.05487	21.6
69.07048	19.2
71.08611	3.0
72.04504	2.9
79.05470	14.1
81.03410	2.9
81.07032	23.9
82.06548	3.4
83.08604	15.6
86.06037	2.5
86.09653	1.8
90.05483	2.4
91.05454	12.1
92.08717	1.9
93.07024	14.9
94.06524	8.3
95.04958	2.9
95.08572	23.9
95.94582	2.2
96.08121	3.2
97.10169	4.2
103.81108	2.5
105.07021	9.0
107.08581	7.2
109.10139	9.6
119.08556	4.7
121.10136	4.7
133.10117	10.5
135.11636	2.3
158.83015	2.1
250.25212	3.9
262.25229	29.5
263.23517	3.0
272.25839	3.0
280.26205	25.0
298.27362	8.4
408.60547	2.0
516.47223	2.7
534.48492	13.2
552.49805	100.0
570.50812	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.1
57.07064	4.3
60.04513	100.0
66.65197	3.2
67.05492	26.3
69.07055	21.8
72.04514	3.5
78.93385	2.9
79.05470	13.0
81.07047	26.6
83.08584	4.9
86.06091	3.4
91.05465	15.4
92.08993	25.8
93.07037	13.9
94.06574	5.8
95.08575	23.6
97.10145	4.7
97.50283	3.0
102.05644	3.0
105.07017	7.8
107.08601	4.2
109.10159	6.2
119.08554	7.1
121.10152	5.1
123.08096	4.0
126.12708	3.0
126.68781	3.0
133.10126	4.9
135.11670	3.4
136.19545	3.0
136.34418	3.6
147.42746	3.3
165.58485	3.2
184.07388	3.8
211.35223	4.2
250.25235	3.9
262.25262	35.9
280.26315	28.7
298.27451	7.9
534.48572	8.2
552.49841	95.4
570.50903	55.0
657.55530	4.1
672.35565	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	732.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66208	0.2
54.35215	0.3
54.52346	0.2
56.05003	0.4
58.06566	0.3
60.08150	8.7
63.01122	0.2
67.05477	0.4
71.07358	4.6
76.97919	0.3
77.00998	0.3
79.05421	0.6
81.06999	0.7
86.09689	47.8
91.05418	0.5
91.79868	0.3
92.08871	0.7
93.06979	0.3
95.08535	0.6
98.98435	3.5
101.83303	0.3
104.10715	2.9
105.07040	0.3
107.08559	0.7
109.10170	0.4
114.17306	0.3
116.85467	0.3
121.10140	0.5
124.99978	33.4
131.08603	0.3
135.11633	0.3
143.01016	0.7
145.10069	0.4
184.07306	100.0
198.86693	0.3
392.65488	0.3
623.07056	0.4
732.47876	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	732.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20094	0.1
55.05494	0.3
56.05026	0.4
57.03429	0.2
57.07053	0.2
58.06586	0.2
60.07867	0.4
60.08153	9.0
61.75941	0.1
65.77384	0.1
67.05466	0.2
69.07043	0.2
71.07001	0.2
71.07364	4.2
79.05486	0.2
80.45040	0.2
81.07031	0.4
86.09689	45.5
92.08736	0.6
92.09325	0.4
93.07001	0.3
93.16686	0.2
95.08559	0.4
98.98449	4.2
104.10724	3.1
107.08602	0.2
124.99978	34.2
135.11743	0.3
143.01076	0.4
157.78444	0.2
184.07304	100.0
185.07690	0.4
730.27551	0.2
732.47894	11.6
733.46967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.7
55.05504	22.3
57.03415	19.8
57.07064	44.8
61.02890	4.5
67.05492	34.9
69.07047	20.1
71.05004	2.7
71.08617	37.7
77.95422	2.5
79.05479	38.4
81.07035	61.2
83.04975	4.2
83.08619	26.7
84.70946	3.1
85.10159	13.1
86.09682	21.0
88.37977	2.6
88.49912	2.6
91.05441	14.1
92.09107	7.4
92.63685	3.4
93.07019	52.4
93.19353	3.5
95.04956	7.1
95.08585	60.8
97.02863	5.5
97.06474	5.3
97.10146	4.2
105.07008	11.6
107.04920	13.9
107.08578	39.6
109.10150	15.4
117.06960	5.8
119.08584	15.7
119.91555	2.9
121.06458	5.4
121.10112	18.7
123.11671	2.9
123.67710	3.3
125.00033	4.3
127.87550	2.9
133.10164	3.5
135.11668	48.9
145.10120	35.4
147.11636	5.9
154.47910	3.5
163.11165	67.7
181.12192	12.9
184.07338	31.7
186.14293	3.3
197.04274	3.4
227.12772	63.6
283.15326	77.3
313.27267	93.8
325.27350	6.4
521.38196	100.0
533.30603	3.3
548.35632	3.4
670.25427	3.4
731.43011	19.8
732.43677	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81718	0.1
55.05486	0.1
56.05009	0.7
57.07064	0.1
58.06576	0.3
60.08151	8.4
63.23719	0.1
63.25578	0.1
65.20198	0.1
66.36975	0.1
67.05481	0.5
69.07040	0.2
69.69498	0.1
71.06993	0.2
71.07357	4.0
71.08630	0.1
79.05479	0.6
81.07037	0.7
83.04948	0.1
86.09688	46.6
89.05998	0.6
91.05460	0.6
92.08984	1.2
93.07024	0.2
95.08589	0.2
95.90997	0.1
98.98443	3.5
104.10723	2.7
105.06993	0.5
107.08556	0.2
119.08599	0.2
122.10596	0.1
124.99977	32.9
133.08533	0.1
143.01054	0.6
143.32571	0.1
184.07303	100.0
185.07639	0.5
221.62753	0.1
249.46640	0.2
273.64392	0.1
491.37207	0.2
732.47937	9.4
738.16101	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	732.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81329	0.3
55.05498	0.5
58.06578	0.3
60.08152	9.0
60.49076	0.3
61.23166	0.2
63.06055	0.3
64.69691	0.3
67.05479	0.5
69.07029	0.4
71.07365	4.6
79.05454	0.5
81.07034	0.5
86.09689	48.9
91.05443	0.5
93.07029	0.6
95.08568	0.5
98.98450	3.7
99.98794	0.3
104.10729	3.6
105.06963	0.4
119.08536	0.5
124.99979	35.3
131.79378	0.3
133.10194	0.4
143.01007	0.4
156.38347	0.4
184.07304	100.0
185.07643	0.5
209.58879	0.3
288.98041	0.3
732.36047	0.5
732.48004	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	732.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01858	0.4
57.03418	0.4
61.02896	1.0
62.06067	0.2
65.03905	0.2
67.05479	0.2
69.03413	2.8
69.26714	0.2
73.02898	0.3
74.17325	0.2
77.03897	0.3
79.05470	2.3
81.03397	1.0
81.07018	0.3
83.04954	0.2
85.02425	0.3
85.02891	6.9
91.03946	0.2
91.04890	0.2
91.05456	5.1
92.09026	1.2
93.07022	4.0
95.04937	2.4
95.08588	0.5
97.02842	1.7
99.04420	0.4
103.05436	2.6
105.03363	0.3
105.04485	0.3
105.06988	2.9
105.55720	0.2
107.04929	10.5
107.08546	0.3
109.02840	0.5
109.06501	1.0
111.04417	1.0
111.08072	0.2
115.05432	0.9
117.06997	2.0
119.04930	2.0
119.08516	0.8
120.05663	0.4
121.02852	0.2
121.06482	7.3
123.04368	2.0
123.08059	0.4
124.05164	1.6
125.05965	1.2
126.15952	0.2
127.03884	1.3
128.06190	1.0
129.06964	7.1
130.32945	0.2
131.04878	3.3
131.08534	4.4
133.02805	0.5
133.06451	2.0
133.10112	0.3
135.04387	1.1
135.08008	2.4
136.05191	0.3
137.04970	0.2
137.05946	5.9
138.06738	0.8
139.07463	0.5
140.04645	0.5
143.04857	0.4
143.08493	0.5
145.04897	0.3
145.06471	1.7
146.03604	0.2
146.07239	0.5
147.04379	1.5
147.08032	1.1
148.05182	1.2
149.05949	2.2
151.03876	1.3
151.07509	7.0
152.04633	1.0
153.05432	4.0
153.06683	0.3
155.07028	0.4
157.06453	7.2
158.07220	0.5
159.08037	0.9
160.05107	0.2
161.05942	14.0
161.09584	4.0
161.13196	0.2
163.07494	7.4
165.05489	0.3
165.06914	1.1
165.09071	3.4
166.06232	3.4
167.07004	28.4
167.08412	1.2
169.10159	0.2
171.07997	0.3
173.05940	0.8
174.06734	4.6
175.07506	4.8
177.05502	0.9
177.06906	0.3
177.07375	0.3
177.09070	6.4
179.07013	1.2
179.08530	1.0
179.10645	0.3
181.08549	32.7
182.07236	1.2
187.07509	0.5
189.09065	27.6
190.09331	0.2
191.06996	1.8
191.08577	1.0
191.10661	1.1
193.06464	1.1
193.08566	2.2
193.10085	0.3
194.07199	0.9
195.08028	3.4
195.09773	0.4
197.05949	0.2
197.09576	3.1
199.07484	0.4
201.09058	0.4
203.07019	0.3
203.10513	0.4
205.06407	0.4
205.10133	0.3
206.07393	0.2
207.08058	1.4
207.10141	5.3
208.08804	1.0
209.06010	0.3
209.09637	0.9
210.06693	1.7
211.07472	1.1
211.11147	0.5
212.08264	0.3
213.09070	0.2
218.07045	0.2
219.08029	1.9
219.10164	1.6
220.08818	0.2
221.05887	1.6
221.09569	0.3
221.11693	0.4
222.06757	0.4
223.07463	3.5
223.11040	1.5
224.08279	0.9
225.09070	5.8
226.06165	0.3
227.06958	1.0
227.10632	0.5
229.12213	1.4
233.09689	0.8
235.07433	1.3
236.08212	1.7
237.09081	1.3
238.06247	0.3
239.06929	0.8
239.10645	1.1
240.07803	1.0
241.08524	1.0
242.09360	1.4
247.07458	1.3
250.06259	0.4
251.06981	2.1
251.10640	2.5
253.08505	4.9
254.09291	1.1
255.06438	1.1
255.10095	2.3
257.08249	0.3
257.11639	5.5
264.07904	1.0
265.08530	1.9
267.06433	0.4
267.10114	1.9
268.07224	1.1
268.10883	0.4
269.08069	1.1
270.08740	2.4
271.09720	0.3
271.13242	1.5
279.10086	2.2
280.10684	0.3
281.08173	0.3
282.08707	0.3
283.09592	5.7
283.13242	3.9
285.07947	0.6
285.11139	10.6
293.11423	0.3
296.10379	1.2
297.11151	1.9
299.09076	1.1
299.12714	1.4
300.09894	0.8
301.14264	0.7
302.11343	1.6
305.13736	0.2
309.11246	0.8
311.12695	2.5
312.13470	0.3
313.10794	0.2
314.11389	0.5
315.12186	6.6
317.13736	6.3
327.12393	1.0
329.13931	2.2
331.15445	0.9
341.14020	0.4
343.15274	5.5
361.16367	100.0
362.16733	1.8
371.14609	0.2
373.16403	3.0
668.12286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.3
53.03937	2.8
55.01866	1.4
55.05507	2.4
55.55061	0.2
57.03423	2.2
57.07048	0.3
59.05021	0.2
61.02905	1.4
65.03936	0.2
67.05489	1.6
69.03415	16.9
69.07053	2.9
70.06591	0.3
71.01332	0.3
71.04980	2.4
71.83681	0.2
73.02917	0.4
77.03912	0.2
78.43488	0.2
79.05054	0.3
79.05475	6.7
81.02930	0.3
81.03400	8.4
81.07040	4.7
81.18298	0.2
82.07349	0.2
82.24866	0.2
83.04962	4.4
83.08607	0.5
84.08100	0.2
85.02892	13.8
85.06536	0.4
86.09681	0.4
87.04440	0.9
91.03919	0.9
91.05463	1.5
93.07025	3.0
95.04949	6.4
95.08570	3.0
97.02873	5.6
97.06489	0.8
97.10149	1.6
98.94936	0.2
99.04429	3.4
103.03922	0.5
103.05497	0.3
105.03373	100.0
105.06998	2.3
106.03699	0.9
107.04929	0.4
107.08570	2.6
109.02858	5.5
109.06491	0.5
109.10113	2.3
111.04426	3.7
111.08073	0.2
111.11687	0.3
113.06000	0.2
117.03374	0.4
117.06970	0.2
119.04932	0.5
119.08586	1.8
121.02837	0.3
121.06501	0.3
121.10118	2.9
123.04409	12.0
123.08038	0.7
123.11689	2.3
125.09591	0.3
127.03891	5.5
129.05463	5.3
131.04889	1.0
131.08543	0.9
133.06456	0.3
133.10114	1.0
135.07997	0.3
135.11694	1.7
137.05989	1.0
137.09590	0.5
137.13191	0.3
139.11169	1.0
145.02805	1.5
145.04924	0.8
145.10092	0.9
147.04398	1.4
147.06497	2.6
147.11722	1.6
149.05968	0.3
149.09654	0.2
149.13231	0.4
151.11188	0.3
157.10092	0.3
159.11682	0.8
161.05875	0.7
161.13231	0.5
163.07358	0.2
163.11121	0.4
165.07625	2.3
165.08955	0.4
165.12759	0.3
167.07022	0.5
177.05420	2.0
181.04912	0.3
183.08611	11.8
184.07324	0.2
189.12775	0.2
231.06512	1.7
249.07495	7.1
249.09807	0.3
267.08578	25.4
275.23816	0.4
303.23071	1.8
320.22919	0.2
321.24271	0.5
339.25436	0.2
413.14407	0.5
431.15469	0.5
449.16287	0.3
481.28076	1.3
499.29245	0.7
533.16272	0.2
666.85895	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33828	0.2
53.03934	2.1
55.01883	0.2
55.05519	0.3
57.03445	0.4
67.01852	2.5
67.05509	1.0
68.99802	1.1
69.03414	6.4
69.03749	0.3
69.07061	0.3
71.04984	1.8
79.05495	1.3
81.03397	23.2
81.07053	1.4
82.89101	0.2
83.01327	0.3
83.04963	0.3
85.02885	5.9
85.03337	0.2
89.03888	4.1
89.04357	0.2
91.05472	1.1
92.09170	0.2
93.07053	0.5
95.04962	0.8
95.08612	0.9
97.02868	7.7
97.10126	0.3
98.41796	0.2
99.04430	11.6
103.05431	0.2
105.03361	1.8
105.07021	0.8
106.04212	0.2
107.04944	1.9
107.08593	0.5
108.04447	1.5
109.02860	35.2
109.06483	0.4
109.10152	0.3
111.04449	0.4
117.03355	6.7
117.04146	0.3
119.04930	0.8
119.08586	0.4
121.06495	0.4
121.10152	0.4
123.04423	0.3
127.03890	17.8
128.04156	0.2
133.02881	0.3
133.10089	0.3
135.04390	18.1
139.03879	0.9
141.05441	0.3
145.02827	14.0
145.10085	0.4
147.01318	0.2
147.04395	3.8
147.11653	0.3
148.04768	0.2
149.05962	0.8
161.05948	0.2
163.03870	100.0
164.04167	1.4
167.07024	0.3
169.04921	56.0
173.13184	0.3
177.05495	1.0
187.06001	4.2
209.08051	0.5
211.05984	2.4
215.06804	0.3
229.06993	0.4
247.08098	0.9
265.51315	0.2
271.05896	2.4
271.08566	0.3
287.05435	1.2
289.06970	2.9
310.74857	0.2
327.05838	0.2
331.08044	12.2
355.45535	0.3
451.12244	4.8
523.00433	0.2
530.17804	0.2
642.30670	0.3
646.55023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81473	0.2
53.03931	0.5
53.19123	0.2
55.01859	0.2
55.05493	0.5
56.90568	0.2
61.02874	0.2
63.66959	0.2
67.05493	0.4
69.03416	1.7
69.07047	0.7
71.04974	0.5
74.09697	0.8
76.07649	0.2
79.05470	1.3
81.02933	0.2
81.03406	5.6
81.07039	2.6
83.04958	0.4
83.08612	0.2
85.02882	0.9
85.06504	0.3
89.03890	2.8
91.05457	1.3
92.09104	1.0
93.07007	1.8
94.16145	0.2
95.04945	1.2
95.08594	2.0
97.02872	9.7
97.06494	0.3
97.10145	0.2
99.04458	0.9
105.03362	1.6
105.07014	1.1
107.04956	1.4
107.08568	1.7
109.02869	11.1
109.06489	0.3
109.10109	1.5
111.04528	0.2
111.08076	0.2
115.05468	0.2
117.03359	5.5
119.04871	0.3
119.08562	1.3
121.10141	1.7
123.08025	0.4
123.11653	0.5
127.03907	3.5
127.07586	0.2
131.08524	0.9
133.10088	0.9
135.04404	14.1
135.07997	0.8
135.11655	0.3
136.04805	0.2
137.06003	0.8
137.09621	0.4
139.03914	1.5
145.01678	0.5
145.02832	13.8
145.10092	0.8
147.04413	1.4
147.07967	0.2
147.11673	0.2
149.09605	0.5
151.11153	0.2
157.10161	0.3
159.11685	0.3
161.09589	0.2
161.13322	0.2
163.03876	100.0
164.04207	1.0
167.06949	0.2
169.04932	3.2
171.11603	0.2
173.13255	0.2
177.05472	3.5
177.16312	0.2
187.11101	0.3
191.14432	0.2
201.16425	0.8
229.07117	0.3
237.18456	0.7
315.47351	0.2
331.08051	0.3
363.21643	0.2
409.11276	3.3
642.31604	0.4
731.33008	0.4
732.33142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.2
53.03936	1.3
55.01861	0.2
55.05507	0.2
57.03424	0.4
59.19244	0.1
67.01852	14.5
67.05501	0.4
68.99796	0.1
69.03413	1.7
71.04977	2.6
73.02913	0.1
74.09694	0.1
79.05460	1.0
81.03397	9.2
81.07043	0.7
83.04961	0.1
85.02890	2.1
86.09692	0.2
89.03896	3.3
89.04446	0.1
91.05469	0.6
92.09084	0.2
93.07036	0.6
95.04956	0.7
95.08593	0.4
97.02869	3.4
97.06519	0.1
99.04432	6.1
105.03384	0.9
105.07005	0.7
107.04947	1.9
107.08573	0.3
109.02858	17.1
109.10138	0.5
111.04420	0.5
111.08071	0.1
117.03351	6.1
119.08546	0.4
121.06506	0.1
121.10110	0.4
123.04412	0.1
123.08000	0.1
123.11690	0.1
125.02297	0.2
127.03889	55.7
128.04236	0.1
131.04855	0.2
133.10074	0.6
135.04388	16.4
135.11774	0.1
137.05940	0.4
137.09615	0.4
139.03873	0.5
141.06892	0.1
145.02826	14.1
145.04788	0.3
145.10059	0.1
147.04393	0.2
147.11667	0.1
161.05984	0.2
163.03870	100.0
164.04210	0.8
165.09090	0.1
167.06999	0.1
167.49974	0.1
169.04926	4.3
177.05415	0.7
181.04929	0.5
187.05992	0.6
187.07469	0.1
189.40176	0.1
191.14302	0.2
201.16669	0.1
207.06406	0.1
229.04868	0.3
229.06995	1.1
231.06519	0.2
271.05899	0.4
289.06992	14.4
290.07382	0.2
295.10339	0.1
409.11188	9.6
410.11731	0.1
447.17035	0.1
468.21457	0.1
641.31042	1.0
642.31842	0.9
731.33466	0.5
732.33887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.1
53.00304	0.4
53.03938	1.3
54.81668	0.1
55.01866	0.1
55.05504	0.2
57.03428	0.2
57.07085	0.1
58.15782	0.1
63.02356	0.2
66.02240	0.1
67.01847	15.3
67.05485	0.5
69.03408	2.3
69.07042	0.1
69.75143	0.1
71.04971	2.6
73.02914	0.1
73.28871	0.1
79.05469	1.0
81.03393	9.6
81.07024	0.8
83.04948	0.1
85.02886	2.1
85.06516	0.1
89.03886	4.1
91.05444	0.6
92.09214	0.1
93.07011	0.7
95.04931	0.7
95.08582	0.7
97.02865	4.6
97.06516	0.1
97.10128	0.1
99.04427	6.0
99.78992	0.1
103.05433	0.1
105.03365	0.9
105.06999	0.6
107.04922	2.2
107.08563	0.6
108.04466	0.2
109.02853	20.9
109.06532	0.2
109.10136	0.5
110.03140	0.1
111.04414	0.5
117.02503	0.2
117.03347	6.4
119.04881	0.2
119.08530	0.4
121.10104	0.7
123.08043	0.2
123.11628	0.1
125.02305	0.2
127.03883	50.4
128.04247	0.1
129.06975	0.1
131.08545	0.3
133.10094	0.5
135.04381	17.6
137.05983	0.2
137.09587	0.2
139.03867	0.6
145.02815	14.3
145.10069	0.1
147.04384	0.6
147.11668	0.1
151.03888	0.4
159.11703	0.2
161.05887	0.2
163.03859	100.0
164.04193	0.9
167.06966	0.1
169.04916	5.5
169.06352	0.2
171.11720	0.1
175.07474	0.2
177.05476	0.5
177.16202	0.1
181.04909	0.2
187.06000	0.4
197.08031	0.2
203.07103	0.1
211.11168	0.1
229.05139	0.1
229.06964	1.0
235.06039	0.1
271.05927	0.5
287.05334	0.2
289.06973	13.3
295.08133	0.1
367.09988	0.2
409.11185	8.3
608.16852	0.1
649.20416	0.1
697.18573	0.2
731.34515	0.1
732.35260	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	732.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81473	0.2
53.03931	0.5
53.19123	0.2
55.01859	0.2
55.05493	0.5
56.90568	0.2
61.02874	0.2
63.66959	0.2
67.05493	0.4
69.03416	1.7
69.07047	0.7
71.04974	0.5
74.09697	0.8
76.07649	0.2
79.05470	1.3
81.02933	0.2
81.03406	5.6
81.07039	2.6
83.04958	0.4
83.08612	0.2
85.02882	0.9
85.06504	0.3
89.03890	2.8
91.05457	1.3
92.09104	1.0
93.07007	1.8
94.16145	0.2
95.04945	1.2
95.08594	2.0
97.02872	9.7
97.06494	0.3
97.10145	0.2
99.04458	0.9
105.03362	1.6
105.07014	1.1
107.04956	1.4
107.08568	1.7
109.02869	11.1
109.06489	0.3
109.10109	1.5
111.04528	0.2
111.08076	0.2
115.05468	0.2
117.03359	5.5
119.04871	0.3
119.08562	1.3
121.10141	1.7
123.08025	0.4
123.11653	0.5
127.03907	3.5
127.07586	0.2
131.08524	0.9
133.10088	0.9
135.04404	14.1
135.07997	0.8
135.11655	0.3
136.04805	0.2
137.06003	0.8
137.09621	0.4
139.03914	1.5
145.01678	0.5
145.02832	13.8
145.10092	0.8
147.04413	1.4
147.07967	0.2
147.11673	0.2
149.09605	0.5
151.11153	0.2
157.10161	0.3
159.11685	0.3
161.09589	0.2
161.13322	0.2
163.03876	100.0
164.04207	1.0
167.06949	0.2
169.04932	3.2
171.11603	0.2
173.13255	0.2
177.05472	3.5
177.16312	0.2
187.11101	0.3
191.14432	0.2
201.16425	0.8
229.07117	0.3
237.18456	0.7
315.47351	0.2
331.08051	0.3
363.21643	0.2
409.11276	3.3
642.31604	0.4
731.33008	0.4
732.33142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61709	0.4
55.09875	0.3
56.38686	0.4
92.08936	0.7
105.07068	0.5
114.37297	0.4
149.09637	0.5
172.95187	0.5
248.72171	0.5
264.56729	0.5
278.25626	0.4
403.75171	0.5
573.26465	2.3
731.32397	100.0
732.32239	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	731.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01659	0.3
53.03942	0.7
55.05499	2.3
57.03424	2.5
57.07072	0.5
61.02914	8.3
65.96945	0.3
67.05489	8.0
69.03415	3.8
69.07058	2.5
69.09325	0.3
73.02895	5.9
79.05482	5.0
81.03419	1.5
81.07040	8.7
82.04866	0.3
83.08620	2.2
85.02892	6.8
86.09697	0.6
89.76694	0.4
91.03909	4.6
91.05450	2.9
92.08868	0.9
93.07032	8.3
95.04971	1.5
95.08582	5.9
97.02865	6.2
97.10153	0.4
99.04447	1.5
101.02374	2.3
103.03947	0.7
105.07030	1.6
107.08567	4.8
109.02855	0.6
109.10165	2.2
117.07001	0.6
119.08581	1.6
121.10127	3.1
123.11695	0.4
123.31244	0.3
125.00018	0.5
127.03895	1.4
131.08546	0.7
133.10095	0.8
135.11700	2.0
138.62764	0.4
147.11742	0.4
149.13289	1.8
153.51477	0.4
159.11696	0.8
184.07390	0.7
185.04193	0.5
220.64612	0.4
235.13139	2.1
243.08423	2.2
257.35501	0.4
335.25674	1.5
386.32053	0.4
453.20883	5.4
519.29095	9.0
519.35724	0.6
533.37970	0.5
731.43237	100.0
732.43610	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	730.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
56.05038	0.4
59.04985	0.5
60.08151	7.4
61.02178	0.3
65.38461	0.4
66.38322	0.4
67.05500	3.0
68.29622	0.3
69.07059	0.8
71.07356	4.2
79.05457	2.3
81.07018	3.6
82.07368	0.7
83.09148	0.4
86.09690	43.8
91.05469	0.6
93.07011	2.4
95.08582	3.2
96.08876	0.5
98.98460	4.1
104.10732	2.7
105.07027	0.9
107.08571	0.9
109.10109	0.8
119.08624	0.6
121.10118	0.6
124.99978	31.9
131.08484	0.3
133.10155	0.4
137.63405	0.4
145.09950	0.3
146.81218	0.4
161.13177	0.6
184.07304	100.0
214.38219	0.4
225.92729	0.5
336.26053	0.8
367.90930	0.4
414.73013	0.4
596.26575	0.5
634.22986	0.5
729.42084	0.5
730.45789	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	731.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81555	0.2
60.67598	0.2
69.03430	0.3
70.76914	0.2
71.14543	0.2
75.26537	0.2
85.02897	0.4
89.03894	1.1
91.05467	0.3
92.08707	1.1
92.09351	0.5
107.04992	0.3
117.03371	1.5
119.04894	0.4
121.10104	0.3
135.04401	3.1
145.02831	2.5
147.04393	1.0
151.07594	0.2
163.03882	14.1
164.04210	1.6
175.03841	0.3
179.03108	0.6
182.77971	0.2
185.02063	2.0
197.04210	1.7
207.06540	0.6
209.05667	0.3
215.05244	5.0
237.00713	0.3
237.02879	0.3
241.03906	1.1
255.01579	0.3
331.51282	0.3
359.07507	1.8
377.08374	100.0
378.08768	2.0
379.09335	0.3
382.34131	0.3
695.48553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67672	0.1
55.05486	0.2
56.05012	0.5
57.03405	0.1
58.06597	0.3
59.07364	0.1
60.08147	8.6
66.01417	0.1
67.05483	0.7
69.07039	0.2
71.07352	4.1
71.08622	0.1
79.05453	0.4
81.03379	0.1
81.07027	0.7
81.78204	0.1
83.04961	0.1
83.08585	0.1
86.09682	44.9
91.05450	0.2
92.08726	0.4
93.07013	0.3
95.04931	0.1
95.08579	0.4
97.06492	0.1
98.98434	3.4
104.10712	3.2
105.07003	0.4
107.08569	0.4
109.10151	0.2
112.90391	0.1
119.08542	0.1
124.99970	31.5
131.08537	0.1
142.30266	0.1
143.01001	0.5
145.10066	0.1
147.11711	0.1
182.10696	0.1
184.07294	100.0
185.07610	0.6
212.63129	0.1
225.94794	0.1
267.13776	0.1
335.25897	0.1
457.85617	0.1
730.46381	9.6
731.46802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21241	0.4
55.05492	2.1
56.05016	0.7
60.08151	9.1
67.05478	3.0
69.07055	0.8
71.07351	4.8
76.54852	0.4
79.05462	2.0
81.07024	3.6
83.08578	0.7
86.09685	44.3
91.05438	0.9
93.06999	2.9
94.06523	1.0
95.07349	0.5
95.08573	2.8
98.98450	3.1
104.10701	3.1
105.06997	1.8
107.08575	0.7
109.10108	1.1
112.36620	0.4
119.08565	0.8
121.10104	0.8
123.65038	0.5
124.99972	30.2
133.10112	2.1
184.07295	100.0
205.01080	0.5
210.02356	0.5
253.14223	1.0
262.25247	7.3
532.46869	0.9
550.48083	0.9
730.46283	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	730.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.3
56.05015	0.5
57.07061	0.1
58.06593	0.4
59.07357	0.1
60.08146	8.5
65.57687	0.1
67.05472	0.5
69.07044	0.2
69.22083	0.1
70.06566	0.1
71.02283	0.1
71.07350	4.5
79.05455	0.3
79.60720	0.1
81.03384	0.4
81.07023	0.7
83.08599	0.1
86.09682	45.0
87.10025	0.2
91.05457	0.3
92.09007	0.1
93.07015	0.4
95.04914	0.1
95.08580	0.4
98.98437	3.9
104.10005	0.1
104.10711	3.1
105.07011	0.2
107.08579	0.1
109.10166	0.1
116.99458	0.1
119.08544	0.1
121.10074	0.1
124.99969	31.4
133.10062	0.1
143.01001	0.5
145.02783	0.1
184.07291	100.0
185.07663	0.4
240.09396	0.1
280.33029	0.1
317.63391	0.1
468.23819	0.1
505.38809	0.4
527.65820	0.1
533.36603	0.1
653.21033	0.1
712.45587	0.1
730.46393	8.1
731.46893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42915	0.3
53.03927	1.5
55.05491	0.7
59.04959	0.3
61.02891	0.5
61.52153	0.3
67.01852	2.7
67.05482	1.8
69.03407	3.3
71.04984	1.1
73.02902	0.4
79.05466	1.3
81.03397	11.6
81.07050	2.7
83.04929	0.5
83.08585	0.4
85.02898	2.7
91.05466	7.0
93.07011	1.6
95.04931	1.5
95.08563	1.5
97.02871	4.2
99.04414	2.7
105.03355	2.1
105.07012	1.4
107.04895	0.5
107.08597	1.3
109.02866	19.1
109.06474	1.3
109.10145	1.7
111.08066	0.3
117.43546	0.3
119.04923	19.5
119.08527	0.8
121.10110	1.3
123.08002	0.6
127.03889	13.8
132.35063	0.3
133.10158	1.4
135.07993	0.6
137.09619	0.8
145.02858	0.5
147.04390	100.0
147.11734	0.4
148.04730	0.7
148.70975	0.4
149.09587	0.7
157.10048	0.6
159.11710	0.4
165.09142	0.4
168.21535	0.4
169.04950	4.5
170.96248	0.3
177.05458	0.7
178.76318	0.3
193.98984	0.4
229.07043	0.8
267.15826	0.4
273.07516	10.3
393.11740	7.7
439.72421	0.4
469.20392	0.6
502.23328	0.5
570.47858	0.5
729.36517	3.8
730.36957	5.6
743.46179	0.5
749.11969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.05497	1.8
57.03437	1.0
57.43609	0.8
67.01855	2.2
67.05486	4.1
69.03398	4.2
69.07066	1.3
73.33098	0.9
79.05490	1.9
81.03394	12.6
81.07030	5.3
83.04994	1.2
85.02892	3.9
85.06541	1.2
85.66175	0.9
91.05462	8.4
92.08775	5.5
92.09412	1.7
93.07010	3.8
95.04943	2.3
95.08578	4.3
97.02882	7.3
99.04435	2.2
105.03374	5.6
105.06996	4.0
107.04947	1.1
107.08623	1.8
109.02862	20.9
109.06458	0.9
109.10133	2.2
117.31963	0.9
119.04915	19.2
119.08537	4.5
121.10165	1.7
127.03892	15.2
129.07021	1.3
131.04872	1.3
131.08545	2.0
133.10051	1.0
137.05875	1.3
145.02829	1.2
145.06413	1.0
145.10147	1.8
147.04391	100.0
159.11551	1.0
163.03853	4.6
165.05286	1.0
169.04988	1.8
177.05389	5.8
185.12952	0.9
185.61803	0.9
246.24142	1.5
253.73521	1.0
273.07596	12.4
285.09985	1.2
288.95132	1.0
328.55136	1.2
393.11700	5.4
421.27060	1.1
469.20148	1.3
729.35504	6.4
730.37372	6.5
756.77203	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.01855	1.9
55.05508	13.7
57.03432	10.5
57.07066	4.9
59.04985	1.7
60.11510	0.9
61.02913	7.8
65.03931	1.4
65.08106	0.9
67.05492	10.5
69.03418	30.1
69.07056	13.8
70.06580	1.5
71.04980	8.1
73.02895	6.7
76.56670	0.9
79.05473	10.9
81.03395	13.1
81.07036	40.5
83.04963	27.4
83.08592	13.2
85.02888	100.0
85.06520	6.5
87.04456	5.1
91.03931	4.0
91.05456	19.3
92.08896	4.7
93.07020	29.3
93.07559	1.0
95.04945	55.7
95.08577	22.1
97.02869	31.6
97.06496	19.0
98.97572	1.3
99.04447	12.3
99.08065	4.9
104.37761	0.9
105.07007	28.5
106.80697	1.0
107.04948	1.5
107.08572	44.5
109.02880	12.2
109.06498	50.7
109.10139	48.5
111.08064	12.4
113.09677	1.9
115.07547	5.4
117.07000	1.8
119.04922	18.2
119.08548	31.1
121.06464	4.1
121.10112	38.7
123.08023	9.4
123.11684	16.4
125.09597	9.7
125.13231	1.1
127.03892	23.9
127.07555	4.8
129.06964	1.9
130.06509	5.1
131.08543	32.8
132.04521	1.0
133.10100	95.3
135.08020	17.0
135.11652	16.0
135.91415	1.0
137.05917	1.1
137.09589	1.8
137.13179	1.0
139.07558	0.9
139.11133	7.2
141.09033	1.3
142.07756	0.9
143.08554	7.5
144.08020	1.1
144.09320	1.5
145.04939	25.2
145.08551	1.4
145.08852	1.4
145.10092	17.1
147.04390	18.0
147.11679	28.7
149.09619	4.0
149.13225	32.2
149.14323	1.6
151.11147	9.2
153.09076	21.3
157.07605	6.7
157.10149	1.2
158.05972	7.9
158.10829	12.7
161.13191	1.7
163.05966	12.7
163.14778	9.1
165.12675	1.6
167.14249	10.4
171.10188	2.1
171.11659	3.7
173.13222	76.7
175.03870	28.3
175.08650	2.3
175.14767	19.8
179.07091	1.5
191.12509	1.9
191.14267	59.6
193.15753	1.2
205.06963	1.4
207.06485	50.5
207.08379	2.0
209.15324	94.3
210.15591	1.9
227.16377	58.0
245.08141	2.0
261.08551	1.3
289.08499	1.1
292.03610	1.1
307.09091	7.5
325.11249	5.4
353.19373	2.5
359.10986	1.1
369.11978	1.7
371.20703	7.8
429.21149	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.05492	0.9
57.03431	2.3
58.99097	1.1
61.02911	8.6
64.33391	1.0
67.05481	7.8
69.03415	5.2
69.07050	1.1
73.02907	5.6
79.05467	4.3
83.08585	1.6
85.02882	6.0
91.03919	1.9
91.05446	2.3
92.09002	7.6
93.07033	2.3
95.04949	1.4
95.08588	4.2
97.02879	6.1
98.14145	1.0
101.02402	1.6
105.06992	4.4
107.08597	2.5
109.02859	1.0
119.08540	2.5
120.01900	1.1
121.10111	1.8
122.92896	1.0
124.99973	1.4
127.03841	1.5
147.11681	1.6
184.07312	2.6
186.63208	1.1
221.46956	1.2
268.22247	1.0
408.65344	1.4
451.19382	6.4
519.29315	6.7
729.41626	100.0
730.41382	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42915	0.3
53.03927	1.5
55.05491	0.7
59.04959	0.3
61.02891	0.5
61.52153	0.3
67.01852	2.7
67.05482	1.8
69.03407	3.3
71.04984	1.1
73.02902	0.4
79.05466	1.3
81.03397	11.6
81.07050	2.7
83.04929	0.5
83.08585	0.4
85.02898	2.7
91.05466	7.0
93.07011	1.6
95.04931	1.5
95.08563	1.5
97.02871	4.2
99.04414	2.7
105.03355	2.1
105.07012	1.4
107.04895	0.5
107.08597	1.3
109.02866	19.1
109.06474	1.3
109.10145	1.7
111.08066	0.3
117.43546	0.3
119.04923	19.5
119.08527	0.8
121.10110	1.3
123.08002	0.6
127.03889	13.8
132.35063	0.3
133.10158	1.4
135.07993	0.6
137.09619	0.8
145.02858	0.5
147.04390	100.0
147.11734	0.4
148.04730	0.7
148.70975	0.4
149.09587	0.7
157.10048	0.6
159.11710	0.4
165.09142	0.4
168.21535	0.4
169.04950	4.5
170.96248	0.3
177.05458	0.7
178.76318	0.3
193.98984	0.4
229.07043	0.8
267.15826	0.4
273.07516	10.3
393.11740	7.7
439.72421	0.4
469.20392	0.6
502.23328	0.5
570.47858	0.5
729.36517	3.8
730.36957	5.6
743.46179	0.5
749.11969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05508	1.4
57.03431	4.0
61.02919	8.4
65.28374	0.7
67.05505	6.5
68.05839	0.9
69.00412	0.7
69.03427	5.1
69.07061	2.9
71.04981	3.0
73.02901	5.4
73.15256	0.7
79.05476	5.8
83.04984	0.9
83.08615	0.8
85.02877	6.8
91.03937	1.6
91.05466	7.7
93.07032	6.6
95.04919	5.4
95.08611	4.5
97.02885	7.2
97.06525	1.2
99.04440	1.1
101.02361	3.5
105.03375	7.4
105.07011	7.2
106.03726	1.0
107.08577	6.6
109.02868	1.2
109.06513	1.5
109.10130	2.6
111.08051	1.5
119.04950	1.5
119.08586	4.7
121.10149	5.8
123.11736	3.2
127.03908	1.4
131.08565	3.5
133.10143	1.1
135.08020	1.1
137.05937	0.9
147.04434	4.7
147.11655	9.8
148.04709	1.1
149.09669	4.2
152.75952	0.7
157.10115	1.0
165.12703	2.9
173.11821	0.8
175.11261	0.8
177.05467	1.1
185.04225	1.1
193.12196	1.3
203.05145	0.8
243.08446	3.0
251.12645	1.6
267.15982	1.5
269.12402	1.7
283.15204	4.5
285.16928	1.1
307.15219	1.2
309.70911	0.8
356.41190	0.7
391.55130	0.9
451.19312	1.7
469.20337	15.1
501.22925	9.9
544.97852	1.0
679.32922	4.3
711.35706	1.5
729.36530	100.0
730.36523	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	729.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.2
57.03451	1.0
67.05489	4.6
73.02930	1.0
81.07050	5.1
91.05473	1.3
93.07038	2.4
93.51499	1.3
95.08611	1.4
97.02905	1.7
107.08583	1.7
109.02865	6.4
127.03912	1.9
147.04425	5.2
155.08521	1.1
184.07405	4.8
191.03108	1.2
251.05415	1.6
269.06308	6.6
286.24469	1.6
288.58893	1.2
325.53760	1.3
329.08429	17.0
511.25897	1.2
571.27112	14.9
669.30658	5.3
729.32892	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	729.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01863	0.4
55.05497	0.8
57.03428	1.7
59.04991	0.8
61.02916	5.5
66.92639	0.3
67.05496	3.2
67.48660	0.3
69.03410	3.8
69.07053	1.4
71.01343	0.4
71.04992	1.8
73.02892	4.2
79.05488	3.7
83.04959	0.7
83.08612	2.4
85.02880	7.9
85.06561	0.4
87.04439	0.4
91.03944	1.7
91.05461	5.3
92.08744	0.9
92.09272	0.8
93.07008	3.3
95.04952	3.1
95.08622	1.6
97.02865	4.4
97.06529	0.6
97.10164	0.5
99.04449	0.8
101.02369	2.2
105.03387	2.2
105.06996	3.6
107.04956	0.5
107.08594	2.1
109.02863	1.5
109.06536	0.9
109.10109	0.4
111.08138	0.5
115.86982	0.3
117.07003	0.5
119.08521	2.9
121.10125	1.8
123.11677	0.4
127.03915	2.1
129.07001	1.5
131.08571	1.8
133.10139	2.4
134.23645	0.4
135.11652	0.5
147.04440	1.6
147.11691	1.7
149.09633	2.2
157.10144	2.1
165.12755	0.4
175.11186	1.7
179.03398	1.6
193.12183	3.5
211.13304	0.7
225.15042	0.5
243.08481	2.3
251.12617	0.7
267.15866	0.5
283.15067	5.1
285.16965	0.6
306.40845	0.4
307.15039	0.4
339.17648	1.3
350.40042	0.4
469.20377	11.0
501.22940	13.1
516.25354	0.4
683.31421	0.4
701.65985	0.4
729.36517	100.0
730.37244	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	728.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	0.7
53.03938	1.6
55.01857	2.5
55.05503	28.8
55.60877	0.6
57.03426	19.3
57.07061	4.4
61.02901	4.2
65.03931	1.6
66.85286	0.7
67.05489	77.8
67.96568	0.7
69.03401	1.5
69.07050	25.9
71.04973	8.0
71.07372	0.9
73.02881	0.8
73.06521	0.9
79.05471	47.2
81.03428	0.9
81.07035	100.0
83.04967	5.2
83.08599	14.5
85.02876	1.7
85.06527	5.9
86.09683	7.2
91.03923	1.3
91.05455	34.6
92.08823	3.5
92.09361	1.4
93.06424	1.3
93.07021	55.7
95.04974	5.4
95.08580	93.2
97.02863	1.6
97.06509	9.8
97.10132	5.1
99.08081	4.4
105.07008	27.7
107.08571	27.0
109.06494	1.7
109.10140	21.8
111.08060	1.7
113.09636	0.7
117.06969	6.3
119.08555	32.8
121.10118	21.6
123.08044	3.2
123.11687	6.0
125.09589	0.8
131.08540	11.0
131.51418	0.7
133.10100	19.4
135.11661	17.0
137.09615	2.7
137.13260	3.9
145.10103	7.9
146.98135	5.2
147.11659	5.5
149.13187	5.5
151.11116	0.7
159.11621	5.2
161.13208	19.4
163.14787	2.9
171.11661	1.3
173.13248	3.7
175.14836	0.8
179.14273	12.6
184.07327	1.4
187.14720	1.3
215.12788	0.8
218.94020	0.7
243.20987	4.2
253.17867	13.1
261.22064	10.0
269.17435	0.9
271.15762	2.6
271.18921	29.0
279.23157	1.4
317.24707	2.7
335.25708	85.6
336.26126	1.5
337.27231	1.3
353.26736	3.0
457.36917	1.7
513.39380	6.6
531.40387	55.3
544.36835	1.5
549.41040	1.2
668.35754	4.1
669.35754	4.5
727.43536	1.8
728.44049	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	728.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.8
55.01853	3.1
55.05506	47.5
57.03429	24.8
57.07050	3.0
60.08140	3.8
61.02904	8.4
67.05138	3.7
67.05492	73.0
69.03410	4.1
69.03761	1.8
69.07051	31.0
71.04974	4.5
71.07340	2.1
71.08627	2.7
72.58524	1.8
73.02892	3.0
79.05053	3.5
79.05476	66.6
81.03404	58.1
81.07042	78.5
83.04961	19.0
83.08609	31.8
85.02903	27.9
85.06542	4.1
86.09692	32.6
91.05463	48.0
92.08743	4.4
92.09330	3.8
93.07024	59.5
95.04956	31.9
95.08586	52.7
97.02883	8.1
97.06503	4.7
97.10146	11.7
98.98457	3.0
104.10708	2.9
105.07016	41.7
107.04941	5.0
107.08586	40.0
109.06506	9.0
109.10138	22.9
111.04367	2.4
111.08050	8.8
114.46596	1.9
117.07011	10.6
119.08560	31.9
121.10148	22.9
123.08018	4.0
123.11700	4.1
125.00002	23.8
125.09657	2.1
129.06981	13.3
131.08542	15.5
133.06522	2.8
133.10109	20.3
135.11693	8.8
142.07813	3.0
145.10078	9.5
147.08012	2.3
147.10567	2.3
147.11618	17.4
149.09575	5.0
149.13235	3.1
157.10051	9.3
159.11624	3.3
161.13185	2.2
171.11664	3.0
175.11110	3.9
184.07309	84.5
185.74181	2.4
193.12190	30.2
200.28149	2.1
210.14514	2.3
211.13219	28.1
229.19522	2.2
247.20558	3.6
267.15857	9.7
285.16934	34.5
321.24185	69.8
403.29013	2.6
466.36215	4.3
503.37097	4.4
513.35553	10.0
531.36725	100.0
539.38495	3.7
571.46594	2.5
728.44122	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	728.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47780	2.2
53.03932	2.2
55.01877	3.2
55.05501	25.5
57.03427	19.7
57.07058	3.2
67.05491	69.6
69.03403	2.8
69.07050	25.1
71.04961	6.5
79.05474	51.3
81.07042	93.0
83.04942	3.2
83.08595	13.0
85.02868	4.1
85.06522	5.9
91.05479	31.7
93.07017	61.5
95.04947	4.2
95.08593	100.0
97.06491	17.2
97.10162	6.1
105.07024	26.6
107.08571	27.6
109.10147	34.1
117.06991	6.3
119.08559	33.0
121.10096	21.0
123.11692	5.3
131.08517	12.4
133.10138	23.1
135.11682	19.4
137.09605	4.2
137.13312	2.8
139.28600	2.6
145.10071	6.6
147.11647	3.4
149.13226	6.8
159.11687	5.2
161.13205	19.9
163.14671	3.0
164.32153	2.8
173.13176	4.8
179.14230	4.3
253.17935	11.9
261.22147	17.5
265.70270	3.0
271.15433	15.2
271.18994	40.3
335.25717	55.6
353.26639	4.7
513.38806	4.2
531.40594	60.9
729.41205	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	728.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
54.95393	0.6
55.01861	7.8
55.05500	12.1
57.03426	9.4
57.07064	1.4
60.41911	0.6
61.02909	3.3
65.03913	1.2
67.05489	57.7
69.03410	4.2
69.07054	14.8
71.04970	5.9
73.02877	1.2
79.05468	28.4
81.03392	4.4
81.07035	52.1
83.04955	8.2
83.08599	5.5
85.02890	1.8
85.06514	7.3
85.63265	0.7
86.09692	3.6
91.05460	34.8
92.09045	1.6
93.07020	31.9
95.04962	6.9
95.08582	21.5
97.02837	1.4
97.06499	4.9
99.04452	1.1
105.06282	0.8
105.07008	39.8
107.08572	38.4
109.06503	4.3
109.10136	61.8
113.05973	2.9
117.06995	4.4
119.08540	6.5
121.10120	11.3
123.08125	0.9
123.11682	10.2
124.99968	0.9
125.09607	1.2
127.07499	2.7
128.06232	0.9
131.08536	6.6
133.10101	62.3
135.07994	0.9
135.11673	6.5
139.11118	0.8
143.08600	1.6
145.10083	3.1
147.11653	1.7
149.13240	1.7
151.11150	33.4
159.11652	1.4
161.09584	3.1
161.13217	1.6
163.14838	1.3
169.12253	4.0
173.13196	1.7
184.07304	4.9
187.14824	1.2
199.37122	0.8
215.12715	1.2
227.52333	0.8
232.22614	0.8
243.20950	2.9
253.14282	100.0
254.14734	1.5
261.22012	10.7
271.15326	32.3
287.07352	4.0
317.24750	1.3
333.23788	0.9
335.25778	25.5
337.90741	0.8
383.52390	0.9
457.32602	1.3
513.35626	7.3
531.36627	38.9
532.37445	1.6
549.37384	1.0
728.43201	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81851	2.7
55.01859	4.2
55.05508	23.3
57.03417	18.4
57.07070	3.8
63.62004	2.4
67.05145	3.6
67.05492	83.5
69.07045	25.5
71.08602	3.5
79.05477	43.5
80.42264	2.4
81.07037	79.3
83.04957	6.4
83.08595	7.6
84.09276	2.6
85.06518	5.9
86.09684	19.0
89.97552	3.0
91.05456	55.5
92.09056	12.9
93.07024	39.2
95.04946	6.5
95.08594	42.9
99.04471	3.3
105.07008	54.5
107.08567	45.0
109.06485	7.1
109.10137	76.4
116.96136	3.0
117.07002	5.3
119.08565	11.6
121.10095	18.8
123.11668	6.9
124.99908	4.6
131.08585	12.9
133.10103	80.1
135.11632	12.0
151.11172	28.4
169.12141	3.7
173.13283	3.5
184.07303	32.3
253.14291	100.0
261.21964	7.5
268.11386	3.7
271.15390	29.3
335.25693	45.5
404.87921	3.1
513.35553	7.3
531.36572	61.8
728.44763	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	728.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.8
53.91642	0.7
55.01864	3.8
55.05232	1.3
55.05501	35.2
56.05828	0.7
57.03422	25.5
57.07053	1.6
60.08149	9.9
60.37985	0.9
61.02900	3.4
65.03900	2.1
67.05490	63.9
69.03407	6.4
69.07049	17.1
71.04962	5.0
71.07344	4.0
73.02896	1.6
79.05000	1.3
79.05472	60.5
81.03400	61.9
81.07034	64.8
83.04960	17.3
83.08599	25.1
85.02884	25.8
85.06503	1.8
86.09689	47.2
87.10014	1.3
91.03938	1.5
91.05457	45.4
92.09113	1.3
93.07021	50.7
95.04948	28.3
95.08582	42.4
97.02865	6.8
97.06484	5.6
97.10126	5.7
98.98434	5.3
99.04413	1.2
99.08044	1.5
103.98076	1.0
104.10732	1.7
105.07008	37.6
107.04924	7.0
107.08575	26.3
109.06478	6.0
109.10134	14.9
111.04427	2.3
111.08079	7.5
113.05972	2.1
115.05370	1.1
117.06992	6.2
119.08553	26.9
121.10111	22.7
123.08021	2.0
123.11655	5.0
124.99977	31.9
125.09612	1.6
129.06989	12.6
131.08543	19.7
133.06468	3.6
133.09189	1.3
133.10109	19.5
135.11678	7.7
137.09604	1.2
142.07753	4.3
143.00998	1.2
143.08559	1.0
145.10074	10.2
147.04402	1.4
147.07999	4.1
147.11681	18.5
149.09596	7.9
149.13223	2.3
154.43855	1.0
157.10115	14.2
159.11647	3.8
161.13194	2.2
163.11159	1.1
165.12672	1.6
173.13168	1.4
175.11119	13.6
184.07294	100.0
185.07648	4.1
193.12193	34.1
211.13240	42.2
229.19604	1.2
247.20534	5.6
267.15704	6.9
281.77536	0.9
285.16885	46.2
285.20068	1.6
321.20410	1.9
321.24185	50.2
335.25696	1.7
401.63232	1.1
466.35968	1.9
513.35516	7.8
531.36664	74.2
532.37592	1.3
539.39032	1.7
728.44745	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	728.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
55.42750	0.1
56.05036	0.8
57.07052	0.3
57.28363	0.1
58.06599	0.3
59.07365	0.1
60.08149	8.4
67.05481	0.7
67.76482	0.1
69.07050	0.8
70.06536	0.1
71.07354	4.3
71.08588	0.1
79.05473	0.4
79.05890	0.1
81.03396	1.9
81.07017	0.4
83.04958	0.1
83.08607	0.9
83.49107	0.1
84.08156	0.1
85.02941	0.1
86.09686	45.5
87.09995	0.1
91.05470	0.7
92.08802	0.7
93.07015	0.5
95.04936	0.5
95.08587	0.2
97.10146	0.5
98.98436	4.0
104.10716	3.4
105.07018	0.4
107.04936	0.1
107.08591	0.3
109.10110	0.1
111.08037	0.1
113.39568	0.1
116.99477	0.2
119.08559	0.3
121.10166	0.1
124.99976	33.0
129.06992	0.1
131.08566	0.3
133.10074	0.1
134.75082	0.1
141.58849	0.1
143.00967	0.6
157.10152	0.1
166.02679	0.1
184.07300	100.0
185.07559	0.6
193.12184	0.4
318.90158	0.1
319.00903	0.1
339.57916	0.1
389.19427	0.1
392.10822	0.1
503.37228	3.2
518.32074	0.1
595.12933	0.1
728.44812	9.2
729.45093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.1
56.05016	0.5
58.06582	0.3
59.07384	0.1
60.08151	9.1
67.05482	0.2
69.07032	0.2
70.06566	0.1
70.22613	0.1
71.07359	4.1
79.05456	0.2
81.03382	0.4
81.07021	0.4
83.08595	0.2
86.09690	46.4
87.10001	0.1
88.61730	0.1
91.05453	0.2
91.28465	0.1
92.08993	0.1
92.63567	0.1
93.07018	0.5
95.04951	0.1
95.08598	0.2
98.98444	3.8
104.10725	3.4
104.11383	0.2
105.07019	0.4
109.10120	0.1
111.47366	0.1
119.08587	0.1
121.10120	0.1
124.99980	32.1
135.08084	0.1
143.01073	0.4
175.11143	0.1
184.07307	100.0
185.07690	0.4
314.37411	0.1
503.37238	0.2
728.44849	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
56.05014	0.5
57.07052	0.3
58.06584	0.2
60.07857	0.4
60.08148	8.8
63.45612	0.2
64.71240	0.2
67.05484	2.5
69.07053	0.9
71.07349	4.5
71.08624	0.4
72.97581	0.2
74.65744	0.2
75.96558	0.3
79.05463	0.9
81.07028	2.3
83.01418	0.2
83.04975	0.3
86.09686	46.3
91.05466	1.1
92.08659	0.9
92.09280	1.2
93.07023	2.0
95.04923	0.3
95.08596	1.2
96.28426	0.2
96.57845	0.3
98.98436	3.4
102.03080	0.2
104.10709	3.1
105.06996	1.1
107.08583	1.0
109.10123	0.8
112.23752	0.3
113.57806	0.2
119.08558	0.4
121.10130	0.4
121.24934	0.2
124.99970	36.3
131.08572	0.3
133.10075	1.0
143.00981	0.4
149.09735	0.2
170.75053	0.2
184.07295	100.0
253.14252	0.3
310.75742	0.2
416.05188	0.3
457.82141	0.3
531.36859	0.4
539.38647	0.4
728.33832	0.3
728.44885	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	728.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.3
56.05021	0.4
57.03420	0.1
58.06575	0.3
60.08152	9.3
63.46106	0.1
67.05481	1.3
69.07081	0.2
71.07355	4.7
71.07728	0.2
75.33108	0.1
77.49555	0.2
79.05469	0.6
81.03413	0.2
81.07020	1.1
83.08614	0.2
85.06527	0.2
86.09689	47.4
87.10011	0.1
91.05505	0.5
92.08833	0.6
92.09309	0.2
93.07024	0.9
93.82720	0.1
95.04950	0.2
95.08601	0.8
97.10151	0.2
98.98442	4.2
104.10722	3.0
105.07026	0.6
107.08579	0.4
109.10127	0.4
116.99481	0.2
119.08597	0.4
121.10143	0.2
124.99978	36.5
125.27678	0.1
133.10086	0.3
134.64171	0.2
143.01044	0.7
159.11682	0.2
162.13597	0.1
184.07304	100.0
185.07747	0.7
250.83842	0.2
268.70941	0.1
271.15460	0.3
286.32306	0.2
298.93753	0.2
326.52698	0.2
415.04062	0.2
521.38092	0.2
531.37006	0.2
728.44781	8.5
729.44598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89091	0.7
53.03930	0.7
54.81710	0.7
55.05505	4.9
55.51169	0.7
56.05029	1.8
57.03418	3.3
57.07069	12.3
65.03925	0.9
67.05489	13.9
69.07063	6.0
71.07359	14.9
71.08601	7.8
79.05471	9.1
81.03419	4.6
81.07039	14.1
83.01743	0.9
83.04967	1.8
83.08614	5.7
85.02927	4.0
85.10153	3.4
86.09689	78.1
91.05465	10.5
92.08735	4.1
92.09343	2.7
93.07032	6.8
95.04962	4.6
95.08567	9.0
97.10156	1.2
98.98453	1.0
105.06998	7.4
107.04948	1.3
107.08605	4.2
109.06484	1.0
109.10149	5.6
119.08582	4.3
121.10125	1.2
123.08022	1.2
125.00015	6.8
129.06982	1.5
131.08617	1.5
133.10155	4.4
146.98155	62.6
157.10196	1.3
163.01563	1.3
164.99231	1.1
184.07298	15.4
193.12268	1.3
312.51862	1.0
337.18439	0.9
413.13269	1.4
545.38049	61.5
546.38715	1.3
669.37274	95.7
670.37659	6.2
728.44611	100.0
729.45221	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	728.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94282	0.3
55.01857	0.5
55.05497	0.9
60.08150	10.2
61.07414	0.3
65.36059	0.4
66.87105	0.4
67.05493	3.3
68.05804	0.3
69.07046	2.1
69.13907	0.3
71.07356	5.1
76.56234	0.4
79.05470	2.0
80.05780	0.3
81.07022	2.5
82.07322	0.4
83.08588	0.9
86.09690	51.4
91.05434	1.7
93.07032	2.7
95.08589	1.7
98.98427	4.3
104.10725	3.9
105.07009	0.9
107.08567	1.7
109.06628	0.4
119.08527	0.6
121.10101	0.7
123.11696	0.5
124.99980	35.3
133.10118	0.6
135.11588	0.5
139.60489	0.4
142.67923	0.4
145.10056	0.4
149.09483	0.4
163.11272	0.4
171.80103	0.5
179.06322	0.4
184.07303	100.0
196.50082	0.4
284.15366	0.5
321.24426	0.8
360.29517	0.5
502.44025	0.4
531.35834	0.4
539.39307	0.5
728.44849	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	728.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87556	0.5
52.56387	0.6
53.00295	0.8
53.03942	1.5
55.01844	0.9
55.05504	27.3
57.03418	1.4
57.07066	10.9
60.08139	4.8
60.69890	0.6
67.05502	12.2
67.11376	0.6
68.10440	0.6
69.03403	1.0
69.06718	1.1
69.07058	26.0
71.07346	1.9
71.08617	5.9
79.05470	8.6
81.03399	50.3
81.07045	7.3
83.04959	1.8
83.08601	28.1
85.02854	0.6
85.10146	1.2
86.09689	30.4
89.13284	0.8
91.05448	11.5
93.07006	7.3
95.04949	14.5
95.08593	5.6
97.06488	0.8
97.10147	16.8
98.98444	3.5
104.10731	1.6
105.06987	6.8
107.04926	3.7
107.08575	4.2
109.06544	0.9
109.10112	1.3
111.08045	3.4
111.11700	4.9
116.96949	0.8
117.06983	1.1
119.04926	0.9
119.08554	8.2
121.06484	1.5
121.10146	3.8
124.99982	21.4
126.38753	0.8
128.06244	0.8
129.06982	5.5
131.08498	5.5
133.06468	1.4
133.10095	3.1
145.10127	1.1
147.04404	1.2
147.11679	3.6
149.09579	1.5
157.10075	5.7
159.11742	1.0
163.11237	1.2
175.11125	5.6
184.07309	62.1
190.13583	0.7
193.12177	7.5
267.16144	0.9
311.25751	1.4
315.78055	0.8
466.35428	1.1
503.37244	100.0
504.37424	1.6
537.37842	1.0
538.38440	0.9
539.38586	1.1
728.45282	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	727.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97739	0.4
53.03930	0.9
55.01851	0.9
55.05498	1.0
56.43990	0.4
57.03426	2.9
61.02914	6.5
62.44304	0.4
64.56796	0.4
66.30316	0.4
67.05483	3.9
68.06248	0.4
69.03407	3.4
69.07063	1.0
71.04961	0.9
73.02908	3.9
74.39780	0.4
79.05484	4.0
81.03395	4.7
81.07027	4.0
83.04960	3.0
83.08620	1.7
85.02879	6.5
87.04481	0.5
91.03935	2.8
91.05469	3.7
92.08974	3.4
93.07007	3.0
95.04934	3.0
95.08591	0.6
97.02858	5.1
97.06545	0.5
101.02377	1.8
105.03371	4.0
105.06984	3.9
107.08593	1.7
109.02903	0.8
109.10164	2.1
111.04445	4.7
111.08076	2.5
119.04966	0.9
119.08549	3.4
121.10142	2.3
127.03909	1.7
129.07004	0.8
131.08566	1.9
133.10152	0.9
133.86459	0.5
135.11702	1.7
136.00095	0.5
145.10144	2.0
147.04424	0.7
147.11679	0.6
153.12744	2.4
157.10162	1.9
163.11223	2.1
175.11304	0.5
181.12213	4.1
184.13126	0.4
191.10704	2.2
193.12267	2.2
211.13225	0.5
227.12796	2.0
243.08348	3.6
245.70329	0.4
251.12590	0.9
253.72044	0.6
280.61978	0.6
280.95490	0.5
281.13580	11.7
337.16183	1.6
364.81497	0.4
383.11420	0.6
421.25806	0.6
447.27515	1.7
448.27478	0.5
469.20370	11.6
499.21487	9.1
727.34991	100.0
728.35297	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	727.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76370	0.4
53.03950	0.5
55.01876	0.8
55.05515	3.7
56.78982	0.3
57.03421	4.2
59.04995	2.2
59.35522	0.4
60.85415	0.4
61.02913	7.0
65.03391	0.4
67.05499	5.6
69.03426	4.5
69.07053	0.8
71.01369	0.5
71.04980	3.5
73.02898	6.3
79.05481	7.2
81.03397	9.1
81.07055	7.3
82.07388	0.4
83.04952	3.0
83.08618	2.2
85.02895	8.1
85.06535	0.7
87.04477	1.7
91.03928	3.9
91.05461	5.8
92.09210	0.5
93.07021	5.6
95.04951	3.6
95.08601	2.5
97.02892	7.3
97.06535	1.9
99.04425	0.7
101.02364	3.1
105.03419	0.6
105.07029	5.7
107.04955	2.0
107.08557	3.6
109.02894	1.9
109.06529	2.1
109.10158	2.8
111.08082	0.4
114.35989	0.5
117.06977	0.7
119.04939	0.5
119.08564	4.0
121.06468	0.6
121.10102	3.1
123.08082	0.9
125.09618	0.5
127.03934	2.6
129.07018	1.8
131.08568	2.5
133.06470	0.6
133.10143	2.9
135.08084	0.6
135.11685	1.0
137.09621	0.5
145.02837	0.7
145.10161	2.8
147.04422	3.0
147.11716	2.5
149.09613	2.9
157.10190	1.9
163.03922	0.7
163.11154	2.9
175.11130	1.0
177.05406	0.5
181.12253	0.5
193.12260	2.6
197.06978	0.5
209.11595	0.6
243.08365	3.0
249.10977	0.6
267.16022	2.1
280.59857	0.4
283.15143	6.1
305.13721	0.5
447.27704	0.9
467.18817	11.2
494.28537	0.5
501.22946	13.1
667.36267	0.5
727.35010	100.0
728.35602	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	726.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
56.05027	0.8
57.07045	0.2
58.06575	0.2
60.08149	8.4
63.57373	0.1
67.05482	0.9
69.07047	0.9
71.07352	4.5
71.07715	0.3
75.03246	0.1
79.05466	0.6
81.03387	0.2
81.07047	0.7
82.33279	0.1
83.04971	0.2
83.08591	0.7
86.09689	48.5
87.09993	0.1
91.05460	0.2
92.09171	0.9
93.07021	0.7
95.08576	0.2
97.10162	0.7
98.70235	0.1
98.98448	4.3
101.95133	0.2
104.10737	2.6
105.03362	0.2
105.07024	0.2
107.08553	0.2
111.04417	0.2
117.07015	0.2
118.28636	0.1
119.08577	0.2
121.10108	0.2
124.99978	34.6
131.08543	0.2
135.11624	0.2
135.22847	0.2
143.01016	0.6
145.10071	0.2
163.11217	0.2
184.07304	100.0
185.07625	0.6
202.14429	0.2
217.64960	0.2
353.63733	0.2
465.80676	0.2
519.36279	0.8
537.37616	1.8
593.48505	0.2
616.82141	0.2
726.31195	0.3
726.43201	6.6
758.68872	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.3
53.03927	1.9
55.01878	1.7
55.05500	21.2
57.03175	1.3
57.03424	22.5
57.07054	5.2
57.38128	1.0
61.02901	6.6
67.05491	88.5
69.03413	2.0
69.07053	29.4
71.04968	5.7
71.08601	1.8
72.80515	1.1
73.02892	1.3
79.05473	57.3
81.03405	2.3
81.07035	100.0
83.04949	7.2
83.08602	17.3
85.02869	1.3
85.06519	4.6
91.03933	1.6
91.05460	32.4
92.08752	6.2
93.07023	84.2
95.04924	5.4
95.08588	46.3
97.02854	1.3
97.06508	11.1
97.10153	2.0
99.08072	2.1
105.07011	19.5
107.08575	48.2
109.06481	1.8
109.10130	13.9
111.08043	7.4
117.07020	10.2
119.08543	12.4
121.10109	25.0
123.11671	5.9
131.08539	15.5
133.10097	12.4
135.11662	14.5
139.11157	1.5
143.08510	1.3
145.10066	4.8
147.11673	6.2
149.13220	30.0
151.11046	1.3
157.50343	1.5
159.11638	14.3
161.13261	1.5
163.14816	1.8
165.50211	1.1
173.13358	1.4
175.14923	1.2
177.12733	2.2
187.14809	1.5
195.13846	8.1
222.26207	1.1
243.20879	1.4
252.62773	1.3
261.22122	7.6
267.15686	1.9
269.17419	79.0
335.25726	51.5
437.34082	1.7
529.38770	92.5
725.43939	5.9
726.44403	11.6
730.21979	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89112	0.1
55.05285	0.1
55.05499	1.4
55.09628	0.1
56.05011	0.6
57.07049	0.4
58.06575	0.2
60.08147	8.8
65.28120	0.1
67.05490	1.1
69.07046	0.9
69.74651	0.1
71.07354	4.7
71.08611	0.1
74.92889	0.1
79.05465	0.7
81.03355	0.1
81.07018	0.8
83.04957	0.3
83.08591	0.7
86.09684	47.8
87.10011	0.9
91.05468	0.5
92.09081	0.9
93.07003	0.8
95.04944	0.2
95.08581	0.5
97.02857	0.2
97.06478	0.2
97.10119	0.6
98.98436	4.8
104.10722	3.4
105.06998	0.5
107.08590	0.6
109.10152	0.2
111.04431	0.5
111.08010	0.2
117.06973	0.2
119.08528	0.5
121.10113	0.5
124.99973	35.4
126.00340	0.1
133.06401	0.1
135.11728	0.2
137.09563	0.1
140.87292	0.1
143.01018	0.7
145.10115	0.2
152.10510	0.1
153.12761	0.2
163.11160	0.2
184.07295	100.0
185.07628	2.0
186.07732	0.5
191.10655	0.1
209.11774	0.1
227.12756	0.2
283.15387	0.2
519.36768	1.1
537.37555	1.7
556.64221	0.1
689.45630	0.6
690.45441	0.3
726.43250	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	725.4464
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
55.05514	48.5
55.59383	6.0
57.03429	12.7
66.91463	5.5
67.05491	85.5
69.07047	37.1
79.05476	49.0
81.07043	100.0
83.04956	6.7
83.08628	11.3
86.09668	12.7
91.05470	39.6
93.07041	57.5
95.08601	50.6
97.06522	9.1
103.68522	6.4
105.07023	54.3
107.08592	35.9
109.06509	8.7
119.08588	42.4
121.10099	15.1
123.11726	28.3
133.10159	6.5
135.11588	7.6
137.68301	6.7
145.10065	8.2
147.11682	75.2
165.12709	8.5
184.07248	13.8
267.15848	39.3
285.16864	49.7
291.01144	8.1
335.25708	51.1
531.58356	7.7
545.37964	49.8
553.40344	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	725.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	48.5
55.59383	6.0
57.03429	12.7
66.91463	5.5
67.05491	85.5
69.07047	37.1
79.05476	49.0
81.07043	100.0
83.04956	6.7
83.08628	11.3
86.09668	12.7
91.05470	39.6
93.07041	57.5
95.08601	50.6
97.06522	9.1
103.68522	6.4
105.07023	54.3
107.08592	35.9
109.06509	8.7
119.08588	42.4
121.10099	15.1
123.11726	28.3
133.10159	6.5
135.11588	7.6
137.68301	6.7
145.10065	8.2
147.11682	75.2
165.12709	8.5
184.07248	13.8
267.15848	39.3
285.16864	49.7
291.01144	8.1
335.25708	51.1
531.58356	7.7
545.37964	49.8
553.40344	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	726.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09594	0.4
53.00305	0.7
53.03930	3.1
55.01858	2.9
55.05265	0.6
55.05506	11.2
57.03431	5.7
57.07056	2.7
58.86374	0.4
60.08153	8.4
61.02906	2.3
65.03907	0.8
67.05494	13.6
67.37051	0.4
67.66775	0.4
69.03415	27.0
69.07061	7.7
71.04978	2.5
71.07353	3.4
71.08604	0.8
73.02892	2.0
75.24310	0.4
79.05051	0.7
79.05475	12.6
81.03405	12.7
81.07041	16.6
83.04966	12.8
83.05440	0.9
83.08599	5.2
85.02892	12.6
85.06519	0.5
86.09689	42.6
87.04432	2.8
91.03920	0.5
91.05462	6.5
92.08974	0.4
93.07024	12.9
95.04951	5.5
95.08586	11.5
97.02880	4.2
97.06512	1.7
97.10124	3.7
98.98454	5.0
99.04427	4.2
103.03905	1.1
104.10724	2.8
105.03376	61.2
105.04495	1.7
105.07008	3.9
107.04882	0.7
107.08588	7.1
109.02856	4.1
109.06523	0.7
109.10130	5.9
109.49535	0.5
111.04434	9.4
111.08031	0.6
111.11733	0.4
116.27617	0.4
117.06995	3.4
119.08566	4.6
121.10123	6.5
123.04401	6.3
123.08031	0.4
123.11679	2.2
124.99982	31.0
127.03877	2.5
129.05458	10.0
129.06966	0.6
131.08557	4.2
133.10103	3.0
135.11667	5.4
137.13290	0.5
145.04997	0.5
145.10109	3.4
147.06483	2.2
147.11685	1.8
149.13246	0.9
157.10083	0.4
159.11685	1.0
161.13206	0.6
163.11182	2.0
163.14764	1.1
165.07590	1.7
173.13176	1.8
175.14894	0.5
184.07307	100.0
185.64748	0.5
187.14760	0.8
206.91481	0.4
209.11707	1.1
243.21011	3.6
249.07538	5.7
259.79340	0.4
261.22089	9.6
267.08588	5.9
274.55563	0.5
279.23117	3.4
283.15189	0.7
399.74442	0.5
404.60086	0.4
407.27899	4.0
425.28836	8.8
443.29575	0.6
508.95398	0.5
519.36829	4.9
529.35071	0.8
537.37683	13.6
726.43188	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.5
56.87145	1.3
57.00839	1.4
57.03426	2.4
57.07074	2.9
61.02916	6.6
67.05494	14.5
69.03417	2.7
69.07056	3.6
71.08611	3.2
71.32228	1.3
73.02905	2.3
79.05492	7.9
81.03400	1.9
81.07045	9.0
83.05013	1.6
83.08601	2.2
85.02905	6.3
85.10154	1.9
91.03937	3.3
91.05481	3.1
92.59834	1.6
93.07044	9.3
95.08585	7.1
97.02885	2.8
102.62799	1.5
103.79443	1.4
105.07028	6.3
109.10151	2.9
119.08582	2.5
131.08653	1.5
138.30299	1.6
140.49092	1.6
145.10066	2.7
161.26463	1.6
181.96248	1.8
274.57727	1.5
384.01917	1.6
424.38608	2.0
469.20966	3.0
497.30954	7.1
565.09711	1.6
609.45490	2.4
725.44354	100.0
727.37384	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66978	0.5
52.90005	0.5
53.03946	0.7
55.01847	1.1
55.05500	3.2
57.03420	1.5
59.04984	1.1
61.02910	6.1
67.05493	10.2
69.03411	4.5
69.07053	2.9
69.38181	0.7
71.04987	4.3
73.02534	0.6
73.02876	5.3
76.56671	0.8
79.05476	9.6
81.03393	6.5
81.07034	10.2
83.04976	1.5
83.08614	2.6
85.02872	6.9
85.67086	0.6
87.04435	1.2
91.03937	1.4
91.05463	8.6
92.09087	0.9
93.07027	9.3
95.04961	4.5
95.08585	4.5
97.02878	4.8
97.06516	1.4
101.02332	1.4
104.89806	0.7
105.03373	1.7
105.07016	5.7
107.04948	1.0
107.08585	5.7
109.02861	1.4
109.06496	1.1
109.10167	3.4
111.04441	2.6
119.08586	6.1
121.06493	0.9
121.10163	4.1
123.11639	0.8
127.03921	1.4
129.06989	0.8
131.08543	1.6
133.10106	3.4
135.11702	1.1
136.64259	0.7
143.08492	0.8
147.04570	0.8
147.11705	5.2
149.09656	3.0
153.12750	0.8
157.10168	1.2
163.11230	2.7
171.11688	2.7
173.09570	1.0
175.11084	1.0
193.12245	0.8
195.39265	0.8
243.08371	3.3
247.13188	0.9
264.98035	0.7
283.15198	3.7
435.95764	0.7
465.20883	15.5
469.27591	0.9
470.28397	1.3
486.47989	0.7
501.22925	13.1
725.37067	100.0
726.37378	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	725.444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18304	1.4
54.43225	1.3
55.05499	3.1
57.03426	1.7
57.07069	2.9
61.02917	3.8
64.59241	1.6
66.20151	1.5
67.05499	6.6
67.99259	1.4
69.03413	2.6
69.07056	3.6
71.08596	1.7
73.02890	2.0
78.57189	1.3
79.05483	2.8
81.03416	3.5
81.07046	9.8
83.08610	1.7
85.02885	3.3
91.03945	3.2
91.05476	2.3
92.08569	2.6
92.09177	10.4
95.04956	1.8
95.08595	5.8
96.12431	1.4
97.02895	3.2
99.04463	2.3
105.07028	6.4
107.08588	1.8
109.10153	2.6
119.08638	2.1
119.95161	1.6
121.10147	2.4
131.08658	1.9
143.08459	1.7
147.11674	7.8
240.75229	1.7
263.68332	1.7
318.96594	1.5
388.04745	1.6
445.72098	1.7
469.20297	14.4
497.30826	3.6
725.44312	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	725.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.9
56.70478	1.0
57.03419	1.9
57.07058	6.3
61.02905	7.1
67.05495	7.7
69.03408	1.5
69.07054	2.4
71.08611	2.2
73.02897	2.3
79.05470	6.2
81.03403	2.7
81.07037	12.8
85.02912	5.6
85.10168	1.9
85.79476	1.3
91.03938	5.1
91.05460	5.7
92.08843	2.5
92.09333	1.3
93.07036	6.9
95.04929	1.4
95.08593	7.2
97.02861	5.1
97.10135	1.6
99.04438	1.4
101.02379	2.2
102.63105	1.3
105.07011	2.9
107.08604	1.9
109.10164	2.4
109.94695	1.3
119.08588	2.1
121.10129	2.3
131.08560	1.9
211.75693	1.3
243.08353	1.3
291.19659	1.4
292.18240	1.5
308.03003	1.6
313.27261	1.4
469.20480	6.1
494.89917	1.5
497.31061	10.2
556.11493	1.5
609.44666	1.6
659.73395	1.4
725.44348	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	725.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01860	2.1
55.05502	1.9
57.03420	2.8
59.04956	0.3
61.02921	5.5
65.15857	0.4
67.05489	5.1
69.03420	4.4
69.07057	0.7
69.48659	0.3
71.04977	0.8
73.02904	4.6
79.05479	3.7
81.03434	3.0
81.07043	4.2
83.01335	0.4
83.04971	3.3
83.08620	1.7
85.02893	6.6
87.04489	0.4
89.06007	0.5
90.13672	0.4
91.03925	2.9
91.05472	2.5
92.09122	0.6
93.07021	4.7
95.04966	1.0
95.08580	1.7
97.02875	6.0
97.06526	1.6
99.04446	2.4
101.02373	2.3
105.03375	0.5
105.07035	2.1
107.04919	0.6
107.08583	2.8
109.02877	1.7
109.06497	0.8
109.10145	1.6
111.04440	5.2
111.08057	1.5
115.03935	0.8
117.07024	0.4
119.08598	2.5
121.06564	0.4
121.10144	3.7
123.08044	0.4
125.06045	0.4
127.03922	1.7
131.08559	1.5
133.10143	1.6
135.08063	0.5
135.11658	2.8
137.34523	0.4
140.36203	0.4
140.70483	0.4
145.04974	0.4
145.10106	3.2
147.11702	0.6
149.09709	0.5
153.12769	1.9
157.10118	0.4
161.28331	0.4
163.11154	6.1
173.09576	0.9
181.12202	3.5
182.63557	0.4
185.04221	0.4
191.10646	3.6
209.11761	2.1
217.23613	0.4
227.12856	2.2
243.08342	2.9
251.12421	0.7
279.94421	0.4
281.13550	9.0
283.15466	0.9
284.05786	0.4
306.53104	0.4
323.05649	0.4
337.16147	0.6
358.58563	0.5
467.18866	9.6
497.20145	0.5
499.21298	8.4
563.28058	0.6
606.05048	0.5
725.33386	100.0
726.33929	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	724.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
53.26911	2.3
53.68077	2.4
55.01864	4.2
55.05518	23.0
57.03421	19.7
57.07078	3.7
58.48231	3.0
61.02916	3.7
64.93048	2.6
67.05503	55.6
69.07049	19.0
70.40760	2.6
78.52347	3.0
79.05468	37.8
81.03403	100.0
81.07037	66.4
83.04965	4.9
83.08588	19.8
91.03889	3.5
91.05466	34.6
92.09219	4.4
93.07031	45.0
95.04956	25.9
95.08589	40.8
97.06532	4.0
105.07005	32.8
107.04912	5.3
107.08595	26.1
109.06501	7.3
109.10114	18.0
111.08025	3.7
117.07005	5.2
119.08512	27.2
121.06503	3.8
121.10116	15.1
129.06964	4.5
131.08554	13.8
133.10109	17.4
135.11655	5.8
143.08572	5.0
145.10085	7.1
147.11697	14.3
149.09628	6.3
157.10126	6.3
175.11118	4.3
193.12244	17.6
199.63519	3.3
202.08647	3.1
227.12785	4.5
235.05048	3.2
235.49532	3.4
261.22009	12.9
265.72272	3.5
267.15878	56.8
279.12589	3.2
335.25757	45.0
364.49716	3.5
527.37158	30.4
545.38739	26.2
684.08209	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	724.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35471	0.1
52.44508	0.1
52.82832	0.1
55.05498	0.7
56.05025	0.6
57.03419	0.1
57.07074	0.2
58.06583	0.2
59.07382	0.1
59.71314	0.1
60.08152	7.2
67.05485	0.6
69.07052	0.5
71.07359	3.5
71.08620	0.2
78.21936	0.1
79.05470	0.5
81.03399	0.4
81.07052	0.6
83.04970	0.1
83.08603	0.6
86.09689	40.6
87.10037	0.2
91.05471	0.5
92.08806	0.8
92.66259	0.1
93.07034	0.8
95.08580	0.5
97.10136	0.1
98.98446	3.5
104.10724	2.5
105.07023	0.3
107.04952	0.1
107.08588	0.2
109.02856	0.2
109.10139	0.1
117.06979	0.1
119.08566	0.2
121.10107	0.1
124.99978	28.5
131.08527	0.2
133.10123	0.2
138.20892	0.1
143.01057	0.5
161.09654	0.2
184.07304	100.0
185.07652	0.6
186.07765	0.1
226.04027	0.1
237.77423	0.1
535.36292	1.8
688.45361	12.2
707.15900	0.1
724.36511	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.2
53.03929	3.8
55.01870	2.5
55.05262	0.4
55.05502	7.3
56.05840	0.3
57.03425	7.2
57.07036	0.5
61.02897	1.4
62.25069	0.2
65.03904	0.4
67.05145	0.5
67.05492	12.1
68.05815	0.7
69.03126	0.3
69.03416	5.5
69.07053	3.7
71.01346	0.4
71.04959	2.5
72.65318	0.2
73.02876	0.4
73.62734	0.3
79.05472	12.1
80.05803	0.5
81.03399	37.5
81.06596	0.6
81.07037	10.7
82.03713	2.2
82.07360	1.6
83.04966	4.5
83.08603	8.1
84.05274	0.3
84.08902	0.4
85.02890	8.3
85.06518	0.7
86.03202	0.3
86.09677	0.6
87.04449	0.5
91.03941	0.5
91.05460	15.9
92.05775	1.6
93.07025	8.3
94.07365	0.6
95.04943	14.4
95.08588	5.4
96.05247	1.3
96.08948	0.5
97.02863	6.9
97.06543	2.2
97.10146	4.4
99.04432	2.1
103.05409	0.5
105.03371	49.2
105.04517	1.9
105.07005	7.2
106.07357	1.5
107.04931	3.8
107.08575	5.1
108.08923	0.6
109.02864	5.7
109.06513	2.2
109.10146	5.1
110.06835	0.3
111.04413	1.6
111.08049	3.6
115.05350	0.3
117.06996	1.8
119.04915	24.6
119.08543	6.5
120.08880	1.3
121.06444	2.0
121.10102	4.5
122.10467	0.6
123.04402	4.7
123.08059	2.0
123.11668	0.6
125.06006	0.4
125.09594	3.2
127.03853	3.1
127.07539	0.3
129.07024	3.2
131.08536	4.6
132.08852	1.2
133.06444	1.3
133.10098	4.8
134.10446	1.3
135.04379	0.4
135.08008	1.2
135.11684	2.4
136.12016	0.6
137.09598	0.7
142.07715	0.6
143.08546	0.6
145.02785	0.4
145.04910	1.4
145.06474	0.6
145.10088	2.7
146.10411	0.4
147.04388	100.0
147.08025	1.6
147.11681	4.0
148.04721	0.4
148.08295	0.3
148.11977	0.6
149.09615	2.4
151.11179	0.4
155.08533	0.4
157.10100	4.0
158.05899	0.4
158.10402	0.4
159.11630	0.4
161.09612	0.5
161.13211	0.3
163.03851	2.0
163.11125	2.9
164.11487	1.2
165.05461	0.6
173.09630	0.4
173.11658	0.7
175.11157	4.0
176.11534	0.6
181.12207	0.4
184.07281	1.5
187.11191	0.4
193.12207	9.9
194.12544	2.2
199.13097	0.3
211.13245	4.7
212.13634	0.7
227.12755	1.6
229.14270	2.0
230.14658	0.5
231.06528	0.4
249.07544	7.7
253.14323	0.4
267.08548	5.2
267.15869	10.2
268.16190	3.5
269.16132	0.3
283.15402	4.6
284.15674	1.6
285.10153	0.4
285.16885	3.7
286.17264	1.3
287.05554	0.3
291.08524	0.7
301.16422	1.4
302.16757	0.4
309.09616	1.3
333.37564	0.3
365.23221	1.3
366.23389	0.5
367.22537	1.4
368.22928	0.5
385.23505	1.7
386.23947	1.1
400.13419	0.6
413.12222	1.3
437.25113	1.3
442.26312	0.5
459.27304	9.4
460.27744	6.5
475.26929	0.4
476.27206	1.2
477.28308	15.9
478.28638	10.8
509.27399	1.2
510.28143	0.7
527.28357	1.3
606.47888	0.3
717.74231	0.4
725.35303	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
54.81585	0.5
55.01864	3.2
55.05506	14.8
57.03430	16.5
57.88636	0.5
59.04973	0.6
61.02917	1.1
62.31598	0.4
67.05499	22.2
69.03419	4.4
69.07052	6.8
70.49815	0.5
71.01337	1.1
71.04982	3.3
73.02890	0.6
79.05476	24.5
81.03403	100.0
81.07041	24.0
83.04967	13.1
83.08606	22.5
83.09095	1.0
85.02887	15.5
85.03362	0.9
85.06544	1.1
91.05467	27.2
92.08882	4.2
93.07029	13.9
95.04948	29.5
95.08575	9.7
97.02852	4.0
97.06513	3.2
97.10154	7.6
99.08054	0.8
105.07016	21.0
107.04939	9.6
107.08578	10.4
109.06506	5.3
109.10150	5.6
111.04448	1.1
111.08066	10.1
113.06013	0.7
115.05462	2.0
117.06998	3.0
119.04922	0.8
119.08553	19.2
121.06483	4.9
121.10116	8.8
123.04438	0.7
123.08047	2.9
125.09628	3.5
129.06985	13.4
131.04919	0.8
131.08548	14.4
133.06468	5.6
133.10100	9.5
135.08012	1.2
135.11662	1.3
137.05943	0.6
137.09666	2.7
141.06953	0.7
142.07777	3.0
143.08513	1.9
145.06471	4.4
145.10156	3.1
147.08029	5.7
147.11688	13.4
149.09616	8.2
155.08566	0.9
157.10106	16.3
163.11179	1.3
165.12762	2.5
167.08481	0.6
169.10094	1.1
171.08041	0.8
171.11613	2.0
175.11159	14.8
183.11703	0.9
189.11246	0.8
189.12791	0.9
193.12218	37.2
195.11716	1.2
199.11163	0.6
209.13272	0.7
211.11299	1.1
211.13248	13.8
211.15071	1.0
227.14352	0.9
229.14299	0.7
233.15465	0.9
237.12735	0.8
237.14896	0.6
240.38937	0.5
249.14810	1.0
255.13768	2.6
267.15869	81.8
268.16187	0.7
273.14856	4.1
285.16910	9.9
339.23453	0.9
341.21072	0.7
349.21606	3.7
367.22681	7.3
385.23651	7.2
403.24710	2.4
410.85245	0.7
433.25751	14.1
441.26389	5.0
459.27341	65.0
460.27322	1.0
477.28424	40.3
519.29279	0.9
540.12012	0.6
541.62347	0.7
603.31842	0.6
719.50836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.1
55.05490	0.9
57.03423	2.8
61.02877	0.4
67.01841	0.3
67.05505	2.7
69.03412	8.0
69.07050	0.6
69.99244	0.3
71.04962	0.9
78.87125	0.4
79.05478	0.8
81.03397	34.7
81.07030	2.2
85.02878	2.1
88.59618	0.4
92.63942	0.4
93.07021	0.8
95.04939	0.5
95.08588	1.4
97.02866	16.5
99.04442	3.9
105.03428	0.5
105.06982	0.8
107.08583	0.6
109.02860	100.0
109.10130	0.8
117.05457	2.0
118.28014	0.3
127.03883	21.7
127.04815	0.8
131.08527	0.5
133.10086	0.4
139.03876	2.8
145.04932	0.4
159.06488	22.6
169.04912	12.2
187.06026	2.0
225.18491	0.5
229.07005	8.9
243.19487	0.4
247.08063	0.5
289.09131	3.2
295.06039	0.4
300.33603	0.4
341.23184	0.6
445.56851	0.4
473.02847	0.5
560.09906	0.4
724.39288	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
53.98858	0.4
55.01860	2.5
55.05264	0.6
55.05504	9.1
55.94776	0.4
57.03178	0.6
57.03427	13.3
57.07064	0.6
58.87057	0.5
61.02914	0.8
63.08949	0.5
67.05135	0.9
67.05489	21.8
68.75720	0.4
69.03408	3.0
69.07053	9.7
70.25901	0.5
71.04971	4.0
71.56332	0.6
73.02907	0.6
79.05000	0.6
79.05469	14.1
80.98901	0.5
81.03397	55.2
81.07036	53.8
83.04975	6.9
83.05446	0.7
83.08595	14.4
85.02885	2.0
85.06523	5.1
87.61027	0.5
91.05461	21.3
92.08682	2.3
92.09316	1.6
93.07028	13.2
95.04942	16.1
95.08582	15.2
97.02865	2.7
97.06522	5.8
97.10148	2.7
99.08077	2.7
105.03388	2.4
105.07011	27.7
107.04930	5.5
107.08569	10.1
109.02865	0.7
109.06514	6.7
109.10138	4.0
111.04444	1.0
111.08057	4.3
113.05992	0.7
117.07019	1.1
119.04871	0.8
119.08553	23.9
119.86069	0.5
121.06484	2.0
121.10107	14.6
123.04373	0.9
123.08041	4.7
123.11677	19.4
125.09586	0.8
127.03902	0.5
127.07539	2.0
129.05450	0.9
129.06966	6.4
131.08540	6.6
133.06410	1.7
133.10118	5.1
135.04343	0.7
135.08025	0.8
137.13258	1.0
142.07756	0.9
143.08485	0.5
145.10112	2.3
147.04349	1.0
147.07993	2.4
147.11659	43.1
149.09575	3.3
157.10083	9.3
159.11670	0.6
163.03842	4.3
163.11166	2.2
165.12712	16.6
175.11150	8.4
183.13884	1.7
193.12215	21.8
196.69046	0.6
211.13222	2.4
229.14209	2.2
234.20428	0.6
249.14742	0.8
250.24353	0.5
267.15848	100.0
267.80887	0.5
268.16180	0.8
276.14658	0.5
283.15488	0.8
285.16898	38.9
339.06189	0.6
385.23639	0.8
457.59848	0.6
459.27362	6.2
477.28375	53.8
478.28290	0.6
495.29465	0.7
509.27512	2.0
519.29578	0.8
573.30487	0.6
713.91400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06661	1.3
53.00291	2.0
53.03932	10.1
53.96342	1.3
55.01627	2.2
55.01868	40.5
55.05504	73.2
56.05810	1.6
57.03428	55.6
57.07059	10.4
59.04983	3.3
61.02909	21.9
61.70044	1.4
63.83215	1.4
64.33474	1.5
64.73598	1.4
65.03924	3.1
67.05143	3.1
67.05492	91.7
67.72692	1.9
69.03407	20.6
69.07053	28.8
70.04176	3.5
71.01344	3.1
71.04969	13.5
73.02910	14.9
75.04447	1.7
79.05472	80.8
81.03400	81.6
81.07037	67.1
82.03736	3.8
82.04179	16.3
82.07363	3.2
83.01352	3.0
83.04966	45.0
83.08608	33.3
84.02145	2.2
85.02891	20.7
85.06525	3.5
86.09647	2.5
87.04411	2.7
90.84544	1.6
91.03923	2.2
91.04898	1.8
91.05463	66.8
92.09056	8.8
93.07025	67.3
94.07301	2.0
95.04951	63.6
95.08586	29.1
97.02884	20.9
97.06509	20.5
97.10148	45.0
98.07306	13.2
99.04433	3.0
99.08093	2.7
101.06028	2.5
103.65110	1.5
105.03385	9.6
105.07005	38.9
107.04939	26.6
107.08576	39.7
109.02844	6.7
109.06493	12.6
109.10133	33.2
111.04424	9.9
111.08072	16.5
115.05408	2.2
116.04691	30.3
117.06989	19.1
119.08548	27.4
121.06480	12.2
121.10089	17.6
123.04446	2.5
123.08046	19.4
125.09613	41.2
129.05450	78.6
129.06880	13.7
131.08568	16.8
133.06454	2.4
133.10126	16.7
135.04405	2.9
135.08054	10.7
135.11659	16.1
136.08856	1.5
137.05959	2.2
137.09596	10.1
139.07526	1.9
142.07759	1.9
143.06998	21.6
143.08080	1.8
143.08501	1.8
145.10080	23.7
147.04405	3.8
147.08012	7.9
147.11665	12.8
149.09587	10.8
151.11075	2.2
153.09032	3.1
153.12712	6.7
157.08583	48.5
157.10077	10.8
163.03894	7.9
163.11147	28.8
169.09976	1.7
171.06523	3.0
171.10159	9.7
173.09644	4.0
173.11667	6.9
175.11176	9.7
181.12172	6.8
185.11647	2.4
189.11185	21.1
191.10725	1.8
193.12155	14.5
194.12602	1.9
199.13205	16.1
200.14075	2.9
209.11697	12.7
211.13242	3.5
227.12747	20.9
229.14313	9.7
247.91348	1.8
255.15642	2.4
265.14331	2.8
267.15866	22.3
268.16220	3.6
283.15323	24.3
284.15793	6.4
285.16913	2.2
301.16385	100.0
323.05444	2.3
384.22391	2.6
390.70834	1.9
402.23657	2.6
407.43997	1.9
455.26187	10.3
457.25464	1.7
458.25946	3.5
459.26743	14.8
475.26682	10.6
476.27176	31.2
477.27567	21.1
493.27365	7.6
494.28418	2.9
495.28781	2.2
509.27451	12.9
510.27789	2.8
527.28455	62.1
575.35199	1.8
704.13629	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55575	1.8
57.07062	3.9
59.97203	2.4
61.02914	3.7
64.62545	2.0
65.34982	2.4
67.05483	2.8
69.03419	3.0
73.02899	4.0
73.06734	1.9
79.05464	4.3
81.07055	3.2
85.02891	4.8
91.03909	3.0
93.07014	4.7
95.08632	2.5
107.08566	2.9
109.10102	3.0
184.07364	4.9
227.12762	3.6
249.10977	8.8
467.18619	19.7
497.30420	3.6
723.42749	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	723.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55575	1.8
57.07062	3.9
59.97203	2.4
61.02914	3.7
64.62545	2.0
65.34982	2.4
67.05483	2.8
69.03419	3.0
73.02899	4.0
73.06734	1.9
79.05464	4.3
81.07055	3.2
85.02891	4.8
91.03909	3.0
93.07014	4.7
95.08632	2.5
107.08566	2.9
109.10102	3.0
184.07364	4.9
227.12762	3.6
249.10977	8.8
467.18619	19.7
497.30420	3.6
723.42749	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	724.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.0
52.59299	0.5
53.03941	9.7
55.01864	3.6
57.03424	1.4
61.02914	7.1
65.03932	0.6
67.05496	5.4
69.03408	5.3
71.04958	1.2
73.28054	0.6
77.03894	0.9
79.05474	4.7
81.03394	14.3
81.07042	2.6
85.02890	10.9
91.05460	8.2
92.08723	2.1
92.09325	1.6
93.03387	0.8
93.07005	1.5
94.07304	0.8
95.01286	1.0
95.04945	79.9
97.02862	9.6
99.04427	1.6
103.03919	4.4
103.05438	15.7
105.03371	95.2
105.04508	4.4
105.06997	4.0
107.04931	5.4
107.08597	0.8
108.02067	1.3
109.02856	7.3
109.06487	1.6
109.10160	0.7
111.07993	0.8
115.05457	1.3
117.06999	1.0
119.04903	8.0
121.06481	3.8
123.04404	100.0
125.05869	0.9
127.03879	4.9
131.04898	52.0
133.02821	19.2
133.06467	3.8
135.04366	3.7
136.05252	0.9
137.05951	16.3
139.07498	1.2
140.04660	25.6
141.06992	0.8
143.04843	1.0
145.02834	1.2
145.06445	0.9
145.10124	0.7
147.04385	9.7
149.05917	6.3
151.03899	3.5
151.07552	4.9
153.05359	0.9
155.07005	44.8
159.04367	1.2
159.47527	0.9
161.05922	5.8
162.06711	0.8
163.03917	4.9
163.07518	21.3
165.05406	6.7
167.07004	48.3
169.06441	1.6
173.05940	0.8
175.07472	1.6
176.04561	0.8
177.05466	6.8
179.07011	9.9
180.04161	0.8
183.06494	64.2
187.03934	1.0
187.07462	1.6
189.05434	1.1
191.07004	3.5
193.04903	1.2
193.08553	1.3
195.06470	12.1
197.05939	2.9
201.09096	0.7
203.07072	5.2
205.05008	1.5
205.08563	2.4
207.06491	5.8
209.08139	2.8
215.07056	1.1
221.08006	0.7
225.05421	1.2
225.07535	19.4
227.09097	5.5
229.08607	4.4
231.06619	0.7
233.08067	4.4
243.08591	5.2
249.07516	11.6
257.08041	7.8
257.98456	0.7
267.08575	8.3
275.09064	3.4
353.15631	0.9
355.11676	1.0
357.13184	1.1
373.13058	1.3
375.14301	3.9
379.11578	1.4
397.12589	4.5
415.13840	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42336	0.3
51.42582	0.4
58.12169	0.4
75.90958	0.4
90.37283	0.4
92.78204	0.4
119.01924	0.5
131.01869	0.8
143.01906	0.7
152.02441	0.4
154.59508	0.4
161.02887	0.8
173.02953	1.6
187.04442	0.4
203.03992	0.5
245.04974	1.7
321.10355	0.6
340.62021	0.4
381.07867	100.0
382.08191	0.6
466.39166	0.5
532.41888	0.4
661.16528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02615	2.5
53.03930	3.3
55.05507	35.8
57.07061	14.5
58.36684	3.3
60.08149	3.5
60.33323	2.9
65.99300	3.1
67.05492	44.3
69.07056	57.1
71.07338	2.9
79.05482	26.8
81.03370	5.8
81.07034	62.4
83.08620	22.8
86.09682	38.0
91.05452	17.0
92.09000	25.1
93.07018	48.9
94.57007	2.9
95.04955	5.4
95.08583	95.5
97.06527	3.4
97.10141	6.9
98.98407	3.9
105.07006	57.8
105.76311	3.5
107.08563	64.6
109.02853	13.5
109.10146	88.0
117.06964	13.7
119.08564	81.7
121.10129	46.8
123.11703	24.2
124.99989	32.2
129.06949	3.5
130.07854	3.7
130.84560	3.1
131.08542	20.5
133.10112	50.0
135.11670	35.5
137.13228	16.3
143.08510	20.2
145.10101	51.8
147.08044	3.1
147.11684	47.9
149.09656	3.9
149.13248	17.4
156.09242	5.2
157.10115	29.9
159.11652	43.8
161.13222	32.0
163.11160	4.1
163.14795	5.7
169.10106	7.0
171.11647	40.6
172.12408	4.5
173.13248	32.3
175.11014	4.1
175.14774	20.7
177.16299	4.2
183.11691	21.9
184.07301	100.0
184.12442	3.6
185.13237	24.9
187.14822	39.0
189.16324	43.3
191.17960	3.2
197.13165	11.7
199.14812	21.8
201.16389	30.3
203.17891	6.5
205.15822	5.5
207.17453	21.1
209.13333	4.5
211.14769	15.6
213.16203	9.7
215.17880	5.6
217.19496	4.6
223.14816	6.4
227.17899	16.4
239.17813	6.1
241.19534	6.5
245.18933	13.0
246.63045	3.2
252.71040	3.3
253.19481	3.5
255.21054	5.8
257.22562	6.1
263.20154	5.1
267.21066	21.0
269.22836	3.6
285.21997	21.2
297.25763	6.0
303.23071	37.5
323.27356	5.5
405.35165	36.3
423.36157	93.2
441.37326	5.2
458.93552	3.6
471.88174	4.0
520.62531	3.6
533.38263	4.9
550.37897	4.4
663.36255	3.5
722.44794	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	722.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.1
57.07066	1.3
60.08165	9.5
64.56982	0.7
67.05486	1.7
69.07064	1.9
71.07357	3.3
79.05482	1.1
81.03422	1.1
81.07034	1.9
83.08620	1.3
86.09694	43.2
91.05481	1.3
92.09065	0.7
93.07017	1.4
95.04942	0.9
95.08608	1.7
97.10152	0.9
98.98456	3.6
104.10723	4.3
105.06982	1.2
107.08599	0.8
114.78266	0.7
118.17296	0.8
119.08542	1.2
121.82610	0.8
124.99979	29.1
139.63455	0.7
149.70856	0.8
184.07310	100.0
185.07671	0.9
203.09863	0.7
230.20233	0.7
266.69901	0.8
400.16833	0.7
411.46100	0.9
531.40332	1.7
533.38354	3.5
661.96320	0.9
722.45886	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05634	0.3
55.05485	1.4
57.07055	0.6
58.06580	1.4
59.07356	0.8
60.07911	0.3
60.08151	6.0
66.10763	0.3
67.05476	1.6
69.07042	2.2
71.07362	3.8
71.08597	0.3
79.05472	1.3
81.07034	3.1
83.04944	0.4
83.08591	1.3
86.09686	33.7
91.05476	0.6
92.08912	0.4
93.07001	1.5
95.04950	0.4
95.08584	3.9
97.10109	0.5
98.98417	1.8
104.10709	2.6
105.06998	1.4
107.08562	2.1
108.12756	0.3
108.97918	0.3
109.02815	0.4
109.10130	2.6
117.07053	0.6
117.55447	0.4
119.08540	2.8
120.86279	0.3
121.10088	0.7
123.11707	0.4
124.99970	21.5
131.08595	1.2
133.10092	1.7
135.11621	0.7
143.08553	0.5
145.10088	1.6
147.11655	0.8
157.10103	0.6
159.11652	1.7
171.11674	1.4
173.13220	1.3
175.14874	0.4
184.07300	100.0
185.13152	0.4
187.14799	1.3
201.16364	0.8
213.16362	0.3
222.08922	1.1
239.17714	0.4
303.23105	0.5
405.34811	0.5
423.36053	4.3
460.85730	0.3
533.38196	1.3
722.45685	9.3
736.20465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	22.1
54.81550	1.4
55.05488	1.5
57.03428	19.0
60.17576	1.2
61.02902	6.5
65.68891	1.4
67.01839	2.5
67.05487	2.1
69.03410	8.5
69.07047	1.4
71.04986	3.2
78.71893	1.2
79.05470	1.5
80.89314	1.3
81.03402	38.1
81.07037	3.3
85.02884	9.2
86.09680	9.7
91.05444	1.2
92.08720	2.7
92.09290	3.2
93.07060	1.3
95.08589	1.6
97.02863	21.3
99.04437	9.8
103.03905	1.8
103.46725	1.3
109.02866	47.5
109.10130	1.4
117.05464	19.7
119.08545	1.3
124.99979	5.6
127.03886	29.8
159.06502	100.0
161.43687	1.3
169.04945	1.6
184.07330	15.6
187.06009	16.5
195.32487	1.6
202.45776	1.3
229.07083	2.8
247.08086	8.5
612.24164	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
55.01865	13.4
55.05501	21.7
57.03176	1.1
57.03429	17.0
59.04984	1.5
61.02908	4.8
67.05486	36.5
69.03417	4.6
69.07059	6.9
71.04972	6.7
73.02895	1.6
79.05478	32.5
81.03395	60.8
81.07037	38.1
83.04964	44.8
83.08599	29.0
85.02884	28.7
85.06532	4.9
87.04433	1.8
88.96140	1.2
91.05461	35.2
92.08808	6.9
93.07019	40.9
95.04948	28.1
95.08582	16.0
97.02881	5.4
97.06491	10.6
97.10133	5.6
99.04444	4.3
99.08082	1.8
105.07005	22.1
105.07655	1.6
107.04942	10.7
107.08570	19.9
109.06509	6.6
109.10130	14.5
111.04423	69.0
111.08060	28.7
113.06001	6.3
115.03897	10.3
117.07006	7.1
119.04930	1.3
119.08560	24.6
121.06503	2.7
121.10120	29.6
123.08072	2.0
125.05984	4.6
125.09600	1.6
127.03905	1.1
128.06218	1.3
129.05496	2.4
129.06992	15.7
131.08539	19.0
133.06471	2.0
133.10130	9.8
135.08104	2.1
135.11658	21.0
137.09590	1.7
142.07718	1.3
145.10081	18.4
147.08022	4.0
147.11652	18.7
149.09608	11.3
152.05820	1.1
153.12727	34.1
155.08507	2.5
157.10081	14.9
163.11150	46.6
165.12764	2.2
173.09604	10.7
175.11148	16.3
181.12196	45.9
191.10628	33.6
193.12213	38.4
209.11702	13.3
211.11412	1.5
211.13257	38.9
213.14909	1.1
227.12729	29.7
227.14818	1.4
235.55074	1.1
241.14342	4.9
267.15863	24.4
268.62164	1.2
283.15356	19.5
285.16891	41.2
297.51721	1.1
315.17938	41.9
338.47034	1.2
383.22131	2.1
457.25705	2.0
475.26825	16.4
493.27838	15.4
493.34207	1.4
507.29434	17.6
511.28986	10.0
525.30475	100.0
526.31104	2.5
567.60333	1.2
607.19916	1.3
694.06299	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51497	1.8
50.55217	1.8
53.03937	2.3
53.98633	1.8
55.01856	2.2
55.05502	27.2
56.16365	2.5
57.03423	16.5
57.07063	4.0
58.93832	2.6
59.05007	2.1
59.08106	1.9
61.73931	2.1
67.05493	88.2
69.03427	2.5
69.07053	19.8
71.04964	3.3
71.08598	3.1
78.60081	2.4
79.05473	100.0
81.03403	5.8
81.07038	76.0
83.04959	14.6
83.08593	9.2
83.99573	2.3
86.09675	5.5
91.04890	2.8
91.05455	67.9
92.08827	2.3
93.07021	87.6
95.04935	27.3
95.08588	49.1
97.06489	3.1
97.10169	2.6
105.07002	45.5
107.04936	4.1
107.08559	20.2
109.06488	4.6
109.10125	15.3
111.11274	2.2
113.34534	2.3
117.06988	11.1
119.08567	26.3
121.06499	2.7
121.10116	19.0
123.11690	2.7
129.06979	10.8
131.08507	10.1
133.10115	13.9
135.11638	6.0
143.08534	12.6
145.10115	11.2
147.11667	35.8
161.13283	10.5
163.14836	2.9
163.27591	2.5
171.11609	19.7
172.76831	2.8
184.07329	11.0
189.12692	5.3
207.13795	16.0
261.22107	5.1
281.17377	55.1
331.07956	2.9
335.25735	47.5
477.22092	2.6
502.16940	3.8
541.38757	84.3
542.39197	4.9
624.27911	5.7
701.10248	2.7
721.47797	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	722.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.9
55.01865	6.4
55.05503	16.1
56.67836	0.3
57.03429	15.4
57.07060	0.6
57.35375	0.4
59.04977	2.4
61.02903	2.0
65.03936	0.5
67.05491	17.2
68.59421	0.4
69.03410	2.5
69.07065	4.7
71.01298	0.5
71.04971	3.6
73.02908	0.5
74.01103	0.4
79.05473	22.7
79.14643	0.4
81.03399	57.7
81.07037	20.5
83.01324	6.2
83.04969	10.7
83.08607	16.5
85.02886	3.3
85.06514	0.8
91.04884	0.7
91.05457	18.2
92.09014	3.5
92.09444	0.7
93.07023	20.4
95.04947	18.5
95.08585	9.9
97.02875	3.5
97.06490	3.6
97.10149	9.0
99.04410	1.8
101.67196	0.4
103.05477	0.6
105.03355	0.8
105.07018	14.8
107.04941	11.2
107.08569	12.9
109.02887	0.7
109.06483	5.6
109.10131	4.4
111.04423	3.8
111.08044	5.1
115.05443	1.1
117.07001	8.1
118.31686	0.5
119.04961	0.7
119.08559	13.5
121.06486	5.5
121.10117	8.5
123.04414	1.8
123.08035	6.3
125.05963	0.8
125.09612	7.5
129.06995	7.7
131.04932	2.0
131.08542	7.4
133.06477	3.6
133.10117	5.0
135.08054	3.2
135.11681	7.0
137.05934	0.6
137.09569	2.0
141.06955	0.5
142.07758	1.8
143.08549	2.4
145.06488	3.1
145.10115	11.6
147.04398	1.9
147.08031	3.9
147.11667	5.1
148.37238	0.5
149.05902	0.6
149.09659	3.6
150.53487	0.5
153.06900	0.5
153.09148	0.7
153.12749	2.3
155.08582	1.0
157.06445	1.0
157.10130	6.4
159.08072	1.8
159.11684	1.7
161.05954	5.4
161.09645	0.7
163.11156	14.0
165.12755	0.5
169.10185	0.5
169.31822	0.5
171.08009	1.1
171.10266	0.5
171.69049	0.5
173.05963	0.6
173.09586	3.9
173.11713	0.8
175.11125	4.9
181.12228	2.3
183.11774	0.5
185.09587	0.5
185.13138	0.5
187.07506	0.5
189.09145	1.7
189.11200	2.2
191.10698	2.8
193.12219	12.6
195.08133	0.6
195.11836	0.5
203.14207	0.9
205.12233	1.9
209.11700	3.1
211.13179	1.0
213.12717	0.8
225.12802	0.7
227.12747	2.2
227.31767	0.5
231.13806	2.3
234.16057	0.5
243.13901	0.6
249.14799	0.5
255.13791	0.7
265.14484	0.8
267.15854	25.4
267.18634	1.0
269.15317	1.1
271.13287	2.0
273.14655	3.4
283.15308	18.2
287.16324	1.0
289.14279	2.9
319.23782	0.5
327.23184	0.6
333.16666	0.4
337.21606	0.6
344.78952	0.5
355.22513	3.7
365.20996	4.0
373.24136	0.6
383.22092	13.7
401.23019	8.3
419.24338	1.6
431.24158	0.6
439.24603	0.9
457.25754	19.8
475.26819	100.0
476.27252	2.9
493.27881	9.1
507.29568	0.6
517.28101	0.7
525.30347	0.7
614.96985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
67.05490	1.2
69.07043	0.8
79.05484	0.9
81.03393	5.5
81.07046	2.4
83.01064	0.8
83.33292	0.6
91.05453	4.5
92.08967	1.5
93.07024	1.1
95.04957	1.2
99.04438	0.7
105.03375	1.0
105.07033	2.3
108.04444	0.6
109.02892	3.9
119.04917	10.2
119.08528	0.8
127.03943	1.1
131.08594	0.7
133.10123	1.1
147.04388	50.5
148.04787	2.6
149.05003	0.8
169.02560	4.6
169.04971	3.1
191.03149	4.8
193.12250	0.7
209.04210	3.3
212.06056	0.7
229.04797	1.0
251.05240	7.9
267.16000	2.5
269.06339	3.6
293.06467	0.8
296.18573	0.8
311.07452	2.3
311.86722	0.6
329.08383	5.3
349.10568	0.6
355.07843	1.3
415.09985	6.5
417.12436	0.6
457.10947	2.4
475.12015	49.4
476.11993	0.8
532.29309	0.7
709.38165	0.6
721.19354	100.0
722.19623	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	721.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.6
58.22836	0.7
65.03938	0.8
81.03385	2.9
83.97975	0.8
85.02923	0.9
91.05453	4.0
92.08755	3.2
109.02869	2.9
119.04909	5.0
127.03874	0.8
133.10127	1.2
147.04393	33.6
148.04771	3.0
169.02568	1.0
191.03195	3.2
193.12195	1.0
194.12738	0.9
209.04340	3.0
211.13272	0.9
227.05351	1.2
251.05290	3.8
269.06351	3.5
287.07440	4.7
311.07382	1.6
329.08484	4.2
355.07709	1.0
373.08884	2.8
415.10025	5.3
433.11011	44.7
475.12076	22.8
661.17059	0.9
721.19397	100.0
722.19910	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	721.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68003	0.4
54.85641	0.5
58.18369	0.5
58.86026	0.5
62.19918	0.5
67.01853	0.5
69.03419	0.7
74.71962	0.5
81.03410	2.6
91.05451	3.9
92.09167	0.6
97.02856	1.2
99.04408	0.5
106.92728	0.5
107.08568	0.5
109.02888	3.0
112.42942	0.5
119.04913	7.1
120.05286	0.8
127.03933	1.2
138.00461	0.6
141.06862	0.7
144.48691	0.6
147.04391	26.0
148.04759	3.4
149.04976	2.3
159.24783	0.5
169.02626	1.0
177.05049	0.5
187.03662	1.2
191.03180	2.8
209.04251	2.5
227.05275	1.3
237.76338	0.5
251.05333	1.3
267.44019	0.5
269.06189	3.9
287.07324	13.2
296.69141	0.6
313.06735	0.6
313.16229	0.6
329.08722	1.1
373.08856	3.9
415.10080	2.5
433.10974	68.2
434.11667	1.9
457.56284	0.6
475.11865	1.3
650.94940	0.7
661.18011	1.3
721.19354	100.0
722.19446	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	721.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
53.76243	0.2
54.81822	0.3
55.05515	0.5
67.01862	1.3
67.05499	0.7
69.03408	1.2
69.07062	0.5
71.04977	0.5
79.05478	1.6
81.03399	5.9
81.07042	1.4
83.01128	0.3
83.04980	0.4
85.02892	0.7
91.05473	3.1
92.08944	0.5
93.07034	1.3
95.04955	0.6
95.08583	1.2
97.02883	1.5
99.04446	0.7
105.03383	2.2
105.07024	1.5
107.04956	0.4
107.08588	0.7
109.02863	5.8
109.10148	0.8
119.04910	6.1
119.08563	1.3
121.06525	0.6
122.37597	0.3
127.03905	5.6
133.10085	0.9
137.05940	0.4
145.10133	0.5
147.04390	21.1
148.04749	1.7
149.04971	1.2
150.05249	0.4
151.07205	0.3
151.11195	0.4
158.06090	0.3
159.11678	0.3
167.06984	7.6
168.07426	0.6
169.02631	0.6
184.07295	0.4
186.48067	0.3
187.03734	0.5
191.03127	6.3
193.08595	0.3
193.39165	0.3
209.04202	1.2
225.87846	0.3
227.05359	0.5
251.05231	3.3
269.06345	1.4
287.07346	1.2
311.07147	0.3
329.08304	3.2
406.77121	0.3
415.09921	7.3
415.15009	0.4
433.10806	2.7
524.33447	0.4
721.19391	100.0
722.19830	2.9
726.75226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
67.05490	1.2
69.07043	0.8
79.05484	0.9
81.03393	5.5
81.07046	2.4
83.01064	0.8
83.33292	0.6
91.05453	4.5
92.08967	1.5
93.07024	1.1
95.04957	1.2
99.04438	0.7
105.03375	1.0
105.07033	2.3
108.04444	0.6
109.02892	3.9
119.04917	10.2
119.08528	0.8
127.03943	1.1
131.08594	0.7
133.10123	1.1
147.04388	50.5
148.04787	2.6
149.05003	0.8
169.02560	4.6
169.04971	3.1
191.03149	4.8
193.12250	0.7
209.04210	3.3
212.06056	0.7
229.04797	1.0
251.05240	7.9
267.16000	2.5
269.06339	3.6
293.06467	0.8
296.18573	0.8
311.07452	2.3
311.86722	0.6
329.08383	5.3
349.10568	0.6
355.07843	1.3
415.09985	6.5
417.12436	0.6
457.10947	2.4
475.12015	49.4
476.11993	0.8
532.29309	0.7
709.38165	0.6
721.19354	100.0
722.19623	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	721.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13363	0.3
54.81565	0.5
60.41059	0.3
67.01852	0.5
67.05487	0.7
69.03407	1.5
69.07067	0.4
79.05476	0.6
81.03407	6.4
81.07047	0.7
83.01118	0.6
91.05463	3.2
92.09095	2.1
95.08596	0.8
97.02888	2.5
105.03398	0.7
109.02842	5.0
109.10117	0.4
119.04923	6.6
127.03898	4.8
131.08627	0.5
147.04388	27.8
148.04753	2.6
167.07091	0.7
169.02652	0.4
181.04840	0.4
191.03073	4.9
209.04182	0.7
211.13072	0.4
214.59772	0.4
243.94569	0.4
251.05284	2.3
251.07878	0.4
269.06393	0.5
311.07245	0.6
329.08496	2.2
369.24249	0.4
371.09631	2.8
373.08725	2.1
400.73700	0.4
415.09888	3.7
433.11078	1.8
661.16919	0.8
721.19391	100.0
722.19635	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	720.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.05504	16.0
57.03429	21.8
57.07069	48.2
61.02913	8.3
64.33144	1.3
67.05488	26.7
67.80388	1.4
69.07050	10.7
71.04978	2.4
71.08612	26.7
73.02898	1.8
74.79064	1.3
75.23624	1.3
79.05464	15.3
81.03400	41.7
81.07036	35.6
83.04964	11.3
83.08607	26.6
85.02890	20.1
85.10152	12.3
86.09686	8.2
89.06049	1.8
91.05463	17.2
92.09014	12.9
93.07031	13.3
95.04932	17.0
95.08588	31.6
97.02869	2.7
97.06522	2.0
97.10163	7.3
102.22089	1.5
105.07017	19.5
107.04926	2.7
107.08545	3.3
109.06492	2.0
109.10159	12.0
111.08052	2.9
119.08562	13.9
121.06474	2.3
121.10154	3.6
123.11712	3.6
124.99989	3.6
129.06985	6.6
131.08572	3.9
133.10092	10.9
141.47420	2.0
147.11653	10.8
149.09572	3.4
157.10114	10.4
175.11179	8.9
184.07294	11.6
193.12244	24.9
211.13278	23.0
267.15942	9.0
285.16904	31.2
306.65997	1.6
313.27316	69.7
332.18747	1.6
505.38980	16.5
523.32281	3.3
523.39862	100.0
524.39203	1.8
628.23798	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37352	0.6
52.31100	0.6
53.00305	1.0
53.03933	1.3
55.01850	1.6
55.05503	20.8
57.03146	0.7
57.03425	26.4
57.07063	46.2
60.55162	0.6
61.02909	8.2
67.05142	1.5
67.05486	33.9
69.03401	4.8
69.07045	14.5
71.04962	4.4
71.08607	31.0
73.02882	1.2
79.05471	26.4
81.03390	63.8
81.07034	42.0
81.07524	0.9
82.52355	0.7
83.04961	17.1
83.08597	31.1
85.02882	31.2
85.06518	1.6
85.10153	15.7
86.09689	6.6
86.71522	0.7
87.04408	0.8
91.03904	3.2
91.05455	28.3
92.08956	2.9
93.07016	15.6
95.04931	24.7
95.08007	1.3
95.08574	29.2
97.02836	4.5
97.06484	4.1
97.10144	8.6
99.08061	1.3
103.07580	0.8
105.07011	23.6
107.04913	8.4
107.08606	6.1
109.06475	5.9
109.10137	11.6
111.04398	1.8
111.08052	9.2
113.05993	1.3
117.07000	0.9
119.08553	18.3
121.06452	0.9
121.10122	8.8
123.08030	3.3
123.11661	4.6
124.99994	5.3
125.09611	1.3
127.33707	0.8
129.06973	10.9
131.08545	10.9
133.06461	3.5
133.10092	13.4
135.11703	1.0
137.09570	1.3
137.13213	0.9
142.07713	1.8
142.53371	0.8
145.10094	3.2
147.08037	3.9
147.11655	15.1
149.09587	6.8
157.10077	15.3
164.68918	0.8
165.12700	1.7
175.11131	15.2
184.07298	16.2
193.12198	33.9
193.13943	1.4
211.13237	40.4
239.23618	1.1
257.24753	1.4
267.15820	14.1
285.16879	59.2
313.27277	70.3
438.89310	0.9
505.38596	12.3
523.39783	100.0
524.40222	0.9
632.42114	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.5
54.81806	1.5
55.05498	14.5
57.03427	17.3
57.07063	43.2
61.02906	4.7
64.36318	1.0
64.45447	1.1
67.05492	36.7
69.07045	23.3
71.04976	3.9
71.08616	28.2
79.05466	14.3
81.03385	1.3
81.07035	100.0
83.04964	9.4
83.08602	17.6
85.02888	4.5
85.06504	4.8
85.10162	15.8
91.03915	1.8
91.05456	24.5
92.09075	9.1
93.07027	9.6
95.04964	2.0
95.08578	34.8
95.83643	1.2
97.02870	2.1
97.05962	1.0
97.06493	7.6
97.10143	6.4
99.08084	5.0
101.06014	1.7
105.07012	34.0
106.82896	1.1
107.08578	14.3
107.58240	1.1
109.06496	4.6
109.10128	8.8
119.08565	27.6
121.10111	20.1
123.07990	1.8
123.11677	37.7
127.07501	2.1
129.06973	1.3
133.10083	2.4
137.13269	2.3
147.11659	76.6
157.10135	2.3
157.58221	1.4
165.12703	20.7
175.11182	2.5
183.13768	1.6
184.07303	4.5
189.51389	1.3
229.14308	2.5
239.23662	2.1
257.24704	1.9
267.12982	2.4
267.15842	71.5
285.14426	1.1
285.16888	78.3
313.27298	94.3
523.39819	94.5
536.24219	1.6
547.64832	1.3
622.27460	1.7
623.28119	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	720.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90800	0.2
55.05477	0.3
58.06569	0.3
60.08151	8.3
67.05479	0.5
68.05822	0.2
69.03415	0.3
71.07348	4.0
74.07440	0.2
79.05457	0.4
81.07019	0.9
85.02870	0.3
86.09688	46.2
91.05462	0.3
93.06995	0.4
95.08567	0.3
98.98440	3.9
104.10725	3.2
105.06987	0.2
107.08574	0.3
121.10129	0.2
124.99977	31.8
128.42760	0.2
184.07301	100.0
441.19510	0.3
536.47339	0.3
651.21204	0.3
719.42999	1.3
720.48590	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	720.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.5
57.03431	24.7
57.07067	35.2
61.02932	4.9
63.21180	5.7
63.51661	4.9
64.33077	6.0
67.05499	31.8
69.07066	12.2
71.08627	28.1
72.46935	7.5
79.05472	9.4
81.03408	49.7
81.07042	42.8
83.04964	11.1
83.08612	32.3
85.02900	28.6
85.10216	20.9
86.09677	13.0
91.05511	20.0
92.09012	40.6
93.06997	19.9
95.04969	23.8
95.08598	27.8
97.10190	7.5
105.07024	12.1
107.08611	7.2
109.10139	12.9
119.08570	6.1
123.11639	6.0
124.99936	6.5
131.65036	5.5
133.10120	10.5
149.09669	6.8
160.84915	6.0
184.07390	47.9
193.12268	34.3
211.13312	37.6
213.01974	5.8
274.06067	5.7
285.16891	28.5
313.27399	54.4
448.21777	8.1
475.21283	7.5
476.21567	13.0
505.38943	7.2
522.38904	6.5
523.39990	100.0
536.24133	11.5
622.27252	25.1
623.28174	87.3
720.48969	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
55.05510	8.4
58.39045	0.9
60.08149	2.8
67.05488	32.8
69.03405	1.2
69.07049	7.7
75.52629	1.1
75.68439	1.0
79.05470	17.1
81.03394	46.9
81.07037	33.4
83.04974	1.4
83.08601	10.9
85.29710	1.1
86.09679	21.1
91.05461	15.1
93.07015	14.0
95.04936	12.0
95.08576	19.8
97.06501	1.4
97.10152	1.7
98.98434	2.3
105.07017	11.2
107.04935	2.7
107.08585	6.6
109.06499	1.7
109.10143	6.5
111.08090	1.7
113.91181	1.4
119.08559	9.9
121.06424	1.2
121.10143	8.4
123.11702	2.0
124.99989	15.0
129.07013	5.6
131.08490	3.9
133.10129	6.3
135.11644	2.2
147.11647	5.9
149.09656	1.8
157.10118	4.8
161.13237	1.4
175.11172	2.7
184.07298	39.2
185.07677	1.6
193.12177	6.6
236.16373	2.2
279.23947	1.1
337.27289	1.3
457.80045	1.1
529.38751	100.0
530.38599	1.7
560.39636	1.4
670.40710	1.4
720.43512	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88242	0.1
56.05009	0.7
57.07051	0.2
58.06580	0.2
60.08148	8.5
67.05477	0.4
70.06569	0.1
71.07351	4.0
79.05457	0.2
81.07023	0.3
84.02871	0.1
86.09686	47.9
86.62476	0.1
89.76940	0.2
91.05453	0.2
92.08768	0.2
95.08562	0.2
98.98436	3.9
102.90753	0.1
104.10724	3.2
107.08566	0.2
119.08585	0.2
124.99975	34.8
133.10104	0.2
139.63376	0.2
143.01027	0.7
151.74742	0.1
184.07298	100.0
200.78134	0.2
219.23849	0.2
292.78955	0.2
329.55081	0.2
386.81082	0.2
720.44318	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44069	0.3
53.03729	0.3
53.03938	4.3
55.01856	1.7
55.05261	0.6
55.05503	9.9
57.03425	9.6
57.07055	0.5
61.02913	0.5
65.03930	0.4
66.75172	0.4
67.05489	23.3
69.03406	1.7
69.07043	6.7
71.04966	2.1
73.06516	0.7
76.78233	0.4
79.05471	38.3
81.03395	53.1
81.07033	23.6
81.07386	0.3
83.04964	10.3
83.08600	11.3
85.02886	0.9
85.06516	2.0
91.05457	33.3
93.07016	36.7
95.04944	22.4
95.08003	0.8
95.08578	14.7
97.02848	1.8
97.06501	2.4
97.10164	3.4
103.05442	0.7
105.04478	0.7
105.07008	26.0
107.04916	7.5
107.08572	9.7
108.05727	0.4
108.91344	0.4
109.06476	4.4
109.10149	4.2
111.04448	0.8
111.08064	4.6
113.06027	0.4
115.05421	0.7
117.07004	3.8
119.04948	0.6
119.08547	18.5
121.06486	2.9
121.10121	4.4
123.04385	0.6
123.08032	3.5
125.09617	0.5
127.07500	0.5
128.06158	0.5
129.06981	13.9
131.08528	6.5
133.06454	2.3
133.10103	8.7
135.08066	0.6
135.11670	1.8
137.09598	0.8
142.07744	1.7
143.08536	4.8
145.10106	6.4
147.08032	4.3
147.11659	21.7
149.09598	2.4
151.11163	0.6
157.10072	5.8
161.09586	2.5
161.13246	4.9
163.11157	1.8
165.12730	1.5
171.11632	11.7
171.13013	0.7
173.09570	0.4
175.11101	5.9
182.12918	0.5
189.12679	4.6
193.12213	11.9
207.13765	7.1
211.13202	0.6
249.14714	0.8
267.15848	30.1
268.16006	0.6
281.17392	27.7
393.70203	0.4
447.27277	0.6
455.27789	0.8
473.28870	100.0
474.29401	2.3
491.29904	2.4
509.27151	0.5
515.30511	1.3
523.28516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.0
53.03938	4.0
55.01861	5.9
55.05502	18.1
57.03425	15.2
59.04980	2.3
61.02904	4.4
61.44475	0.4
63.00463	0.4
65.03931	1.2
66.18095	0.4
67.05133	1.1
67.05488	23.9
69.03410	4.1
69.07055	5.5
71.04970	3.5
73.02908	1.2
73.06529	0.6
79.05471	23.1
81.03397	52.3
81.07034	30.8
83.01331	0.8
83.04955	13.0
83.08598	20.0
83.54620	0.6
85.02888	36.7
85.06532	2.7
87.04461	0.6
91.03942	0.8
91.05457	46.3
92.08978	3.0
93.07018	21.6
95.01313	0.5
95.04945	20.9
95.08586	11.4
97.02859	9.2
97.06497	4.3
97.10149	2.9
99.04421	0.7
99.08074	1.2
105.03359	1.9
105.07011	28.3
107.04938	11.1
107.08573	11.8
109.02866	7.8
109.06492	6.8
109.10120	6.5
111.04419	3.5
111.08044	8.9
113.01538	1.1
113.02341	33.2
113.05996	2.8
115.03889	0.6
115.05424	0.9
117.06994	3.4
119.04924	2.2
119.08559	21.1
121.02862	0.7
121.06455	8.8
121.10117	6.9
121.10873	0.6
123.04398	2.5
123.08026	3.9
123.11691	3.0
125.09673	0.6
127.03925	1.1
128.06197	2.1
129.05482	4.2
129.06970	8.1
131.08527	10.3
133.06479	4.1
133.10101	59.5
135.08072	2.5
135.11696	0.9
137.05960	0.9
137.09608	3.0
142.07748	2.7
143.08549	6.0
145.06465	0.8
145.10118	2.1
147.08034	3.0
147.11655	12.5
149.09566	5.1
151.11151	14.9
153.09074	0.5
157.10107	10.2
159.67517	0.5
160.31447	0.5
161.09578	23.2
161.10828	0.9
163.11119	1.9
165.09058	0.6
165.12740	2.9
168.85817	0.5
171.08000	4.0
175.11148	10.4
179.10626	25.0
181.34074	0.5
184.07225	0.7
189.09033	6.3
193.12193	29.2
193.13927	1.1
207.10127	8.6
211.13248	31.6
219.13893	0.7
225.11198	5.0
239.12778	2.9
267.15875	11.8
285.16891	28.7
313.16397	50.3
457.86664	0.6
473.25516	1.0
491.26031	2.1
505.27750	13.0
523.28906	100.0
524.29175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
57.03435	4.5
61.02910	7.1
67.05491	7.0
69.03404	4.4
69.07064	1.1
71.04985	1.0
72.80771	0.6
73.02901	6.2
77.51103	0.6
79.05495	4.9
81.03406	1.2
81.07040	10.2
83.04965	0.7
83.08607	0.6
85.02886	6.7
85.06546	0.6
86.09700	1.4
87.72851	0.6
89.26671	0.6
91.03931	5.6
91.05477	4.2
92.08727	2.8
92.09348	1.5
93.07040	4.8
93.12429	0.6
95.08592	5.7
97.02880	7.2
97.88270	0.6
99.04442	0.9
101.02372	1.3
105.07037	3.5
107.08594	4.5
109.10155	1.3
115.03960	0.8
119.08562	2.7
120.96629	0.8
121.10172	1.4
123.11721	1.1
127.03925	2.4
131.08519	0.7
133.10114	1.0
135.11754	0.9
147.11658	1.4
184.07405	4.1
185.04193	0.7
219.60211	0.7
223.49234	0.6
239.16463	1.1
243.08366	2.6
339.23929	0.7
341.85931	0.7
441.20715	7.2
474.09451	0.8
519.29144	9.2
719.43256	100.0
720.43457	3.4
723.28644	0.7
749.64636	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01863	20.5
55.05504	23.1
56.82354	0.7
57.03425	17.2
57.07033	1.1
59.04966	5.0
61.02905	5.5
65.03919	1.1
67.05151	1.4
67.05491	39.3
69.03405	4.9
69.07054	10.3
71.04977	8.4
73.02882	1.8
79.05471	38.3
81.03395	34.2
81.07034	36.5
83.01317	5.9
83.04966	35.6
83.08605	16.6
85.02878	16.4
85.06532	2.0
87.04447	1.8
91.03923	1.2
91.05454	37.9
92.08569	1.6
92.09174	5.3
93.07021	36.5
95.04943	17.1
95.08590	15.0
97.02863	7.1
97.06516	12.1
97.10152	5.3
99.04422	4.8
99.08043	1.7
105.03343	1.9
105.06363	1.3
105.07013	27.1
107.04928	12.7
107.08570	24.0
109.02850	4.4
109.06510	9.0
109.10139	13.2
111.04426	49.8
111.08051	18.5
113.02315	1.2
115.03912	7.9
115.05401	0.9
117.07006	10.5
119.08553	24.0
121.06456	6.3
121.10117	22.6
121.49987	0.8
123.08054	6.6
123.11671	4.0
125.05952	4.4
125.09596	1.0
127.03854	1.6
128.06131	1.3
129.05463	1.4
129.07007	6.2
130.07736	1.5
131.08557	10.5
133.06509	2.7
133.10106	33.0
135.08058	3.9
135.11661	20.5
137.09572	1.8
142.07765	1.3
143.08534	4.6
145.06432	1.3
145.10112	25.1
147.07996	3.3
147.11632	9.4
149.09587	5.6
151.11134	13.9
153.12733	22.1
155.08575	1.2
157.10106	6.0
161.09529	7.2
163.11147	46.2
165.12781	1.5
173.09610	7.0
175.11092	6.2
179.10645	5.3
181.12189	30.8
189.09035	1.3
191.10635	24.9
193.12209	13.2
207.10081	1.5
209.11751	12.7
211.13264	13.4
221.11667	5.8
227.12733	20.3
234.19894	0.8
241.14246	1.2
267.15854	9.5
281.95761	0.9
283.15317	62.5
284.15930	1.0
285.16901	12.3
299.14804	3.8
301.16507	2.0
307.67422	0.9
313.16391	17.6
315.14343	1.4
315.17944	31.3
321.06702	0.8
372.97391	0.9
473.24927	1.0
491.26038	5.4
505.27933	4.6
509.27304	17.1
523.28918	100.0
531.36731	1.1
541.29596	1.6
741.20276	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.6
57.03420	4.2
59.52460	0.7
61.02922	7.6
61.71392	0.7
63.71161	0.7
63.96161	0.7
67.05497	7.1
69.03411	4.1
69.07040	1.4
73.02893	4.1
79.05470	4.7
81.03379	1.6
81.07041	8.5
83.08601	1.1
85.02888	6.3
86.09696	3.6
88.41860	0.8
91.03955	3.1
91.05474	2.1
93.07024	5.1
95.08586	5.7
97.02863	5.5
97.06506	1.0
101.02358	1.5
104.21667	0.8
105.07032	4.3
107.08581	1.4
109.10161	1.5
119.08539	2.0
121.10179	1.5
123.11704	1.2
124.99970	3.6
127.03883	1.1
127.62476	0.9
133.10176	0.9
147.11638	1.7
155.43111	1.0
184.07309	11.0
202.34610	0.8
243.08449	1.4
270.34241	0.9
285.43964	0.8
441.20911	5.5
496.16888	1.0
519.29303	6.5
553.50861	0.8
719.43243	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	719.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81928	1.6
55.05496	1.9
57.03419	2.3
57.07062	8.5
57.91815	1.4
59.65859	1.3
67.03837	1.6
67.05489	3.3
71.08602	1.9
79.05468	2.2
81.07024	6.6
83.08621	1.9
85.02888	1.9
86.09663	1.4
92.08771	2.1
92.09267	2.3
93.07017	3.6
95.08661	4.4
112.28136	1.8
113.54470	1.5
121.10073	2.3
133.10104	2.0
146.74564	1.7
146.89674	1.8
166.66698	1.6
173.52112	1.8
177.57275	1.8
182.24722	1.5
184.07423	2.5
204.02316	1.7
209.10669	1.9
213.51817	1.6
225.10243	1.8
225.13782	5.8
237.13786	2.0
283.15329	3.6
313.26938	4.6
384.13165	1.8
401.21863	1.4
405.20868	2.1
417.17084	7.6
418.17575	2.5
433.19879	6.8
445.20160	2.7
447.21652	14.0
471.21082	2.0
475.21286	29.8
476.22073	7.2
503.20444	3.5
508.74628	1.8
521.38293	5.9
522.38446	3.8
535.23425	18.5
537.50049	1.7
549.24188	1.7
561.24463	7.4
562.25397	3.7
563.26306	3.8
590.24939	2.3
621.26550	7.2
622.27722	100.0
625.20178	1.8
719.45117	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	719.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	2.2
66.63830	1.8
67.05465	2.1
71.07113	1.9
76.21035	1.7
76.56746	1.8
92.09029	9.1
93.07039	2.0
116.12129	2.1
180.63858	1.8
198.00528	2.0
225.13881	3.8
417.16968	4.4
432.19138	2.5
433.20078	4.5
447.21661	12.7
475.21259	39.8
476.22205	6.4
526.29767	2.1
535.23444	13.9
561.24896	3.1
562.25366	11.1
621.26624	12.3
622.17761	3.6
622.27734	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	719.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.2
53.75165	0.8
55.01866	7.3
55.02084	0.8
55.05502	24.2
56.05018	1.4
57.03428	36.5
61.02914	10.8
65.03913	1.8
67.05489	46.1
67.05849	1.8
69.03419	10.3
69.07050	17.0
71.04969	9.0
73.02901	2.0
79.05470	57.8
80.05009	5.2
81.03397	100.0
81.07033	63.9
83.04965	32.5
83.08601	34.8
85.02888	46.3
85.06521	5.5
88.81076	0.8
91.03929	1.8
91.05459	100.0
92.04981	6.5
92.09000	7.3
93.07021	39.8
94.06541	5.1
95.04944	49.5
95.08582	26.7
97.02869	12.7
97.06488	12.2
97.10153	5.9
99.08060	3.6
102.05515	2.2
104.04966	1.5
105.03360	1.7
105.04526	1.3
105.07013	52.4
106.06549	7.7
107.04940	17.3
107.08579	13.8
108.04469	1.7
109.02896	7.2
109.06493	10.9
109.10139	5.5
110.03168	1.9
110.06071	1.1
111.04420	3.7
111.08064	16.6
112.57768	0.9
113.05978	5.6
115.05435	6.3
116.04950	4.7
117.05742	8.8
117.07002	8.1
118.06514	51.8
119.04892	7.4
119.08556	42.9
120.04449	1.3
120.05230	2.1
120.08092	1.5
121.06487	7.4
121.10123	16.3
123.08051	5.8
123.11668	2.2
125.09612	1.3
127.03902	5.3
127.07571	1.0
128.04224	1.4
128.06198	4.1
129.06978	38.5
130.06535	4.3
131.07460	1.4
131.08545	28.9
132.08113	5.4
133.06490	5.5
133.10101	28.9
134.06007	1.5
136.08728	1.2
137.09607	3.9
138.47469	1.0
141.06969	1.7
142.06502	6.5
142.07761	12.0
143.07283	4.2
143.08566	4.8
145.08975	1.6
145.10126	7.0
146.09648	6.9
147.04384	26.7
147.08041	7.9
147.11662	35.0
148.04721	14.2
149.05017	3.1
149.09596	14.0
150.05255	1.0
151.07512	1.2
152.06212	2.1
155.08588	1.2
156.08057	13.8
157.06552	1.0
157.10095	48.2
158.09657	4.1
161.09616	2.1
163.11179	3.9
165.06964	1.1
165.12663	9.2
167.07198	1.3
167.08528	10.5
168.08055	1.8
169.08783	6.9
172.11160	1.4
174.12794	7.0
175.11147	32.8
182.09721	1.1
184.11169	20.7
185.09621	1.6
193.12206	67.4
202.08467	1.1
202.12228	17.3
211.13260	71.1
220.13341	1.6
267.15829	32.7
273.07581	2.0
276.15872	47.0
285.16895	56.0
294.16937	28.1
312.17929	14.5
394.23495	1.3
459.27344	11.7
468.27399	24.1
477.28302	9.9
486.28387	96.5
495.29385	1.9
504.29468	34.8
522.30511	27.5
729.07745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20272	1.0
61.70110	1.0
65.83719	1.1
81.07042	1.6
86.09713	2.7
92.09034	2.1
108.58230	0.9
124.99977	2.0
170.30452	1.3
179.50980	1.4
182.60912	1.4
184.07318	9.9
200.90813	1.4
209.10818	1.6
210.11418	1.4
223.12234	1.8
225.13896	4.6
237.13800	1.7
251.08215	2.1
273.89420	1.4
409.72836	1.2
417.17093	5.8
418.18042	2.3
431.18472	2.1
432.19489	5.6
433.20264	4.7
447.21750	12.1
459.22079	1.4
461.21985	1.4
475.21161	29.3
476.21896	2.8
503.20340	2.3
519.23383	1.8
535.23206	21.5
561.24829	7.9
562.25684	1.8
563.26166	2.1
621.26874	13.6
622.27771	100.0
719.34271	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	718.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80297	1.7
53.03928	3.1
55.01859	2.7
55.05504	35.2
57.03431	25.1
57.07057	12.7
60.08146	3.1
61.02900	3.2
61.15301	2.2
62.76187	1.9
67.05488	41.7
69.03406	2.6
69.07054	39.2
71.04977	5.4
71.08595	4.0
79.05466	33.3
81.03396	56.5
81.07037	47.6
83.04951	18.1
83.08604	42.1
85.02885	36.3
85.06518	3.8
86.09680	10.9
89.14188	2.1
91.05460	34.5
93.07011	31.2
93.92376	2.1
95.04940	22.7
95.08581	27.9
97.02879	4.9
97.06519	3.7
97.10128	17.6
105.07011	20.8
107.04936	4.0
107.08568	13.0
109.06490	4.0
109.10126	4.4
111.08060	12.6
111.11694	2.7
113.06039	3.6
119.08553	18.1
121.10107	22.5
123.08040	3.6
123.11681	4.5
124.99959	10.9
129.06976	12.0
131.08524	8.6
133.06471	2.9
133.10141	17.2
135.11671	8.6
137.13255	3.5
147.08047	2.6
147.11676	14.0
149.09573	3.9
157.10074	17.0
175.11131	11.6
184.07292	32.1
193.12195	32.4
211.13269	39.1
211.15125	3.8
267.15842	9.7
285.16879	57.9
311.25766	60.3
423.24069	2.7
459.85263	2.1
503.37177	13.3
521.30847	3.5
521.38275	100.0
528.23334	2.3
707.60376	2.8
718.44482	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	718.473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07458	0.9
51.76416	1.0
53.00298	1.6
53.85486	1.2
54.57094	1.2
54.81808	1.8
55.01862	8.5
55.05502	19.2
55.94629	1.4
57.03431	26.6
57.06815	2.2
57.07071	41.0
59.04984	2.0
61.02913	8.3
65.78753	1.5
67.05500	21.0
67.35960	1.3
69.03427	1.3
69.07062	11.0
71.08615	25.8
71.77619	1.5
73.02906	2.5
77.23521	1.2
79.05477	19.7
81.03398	9.9
81.07039	28.3
83.01324	12.5
83.04971	10.6
83.08605	18.4
85.02890	9.0
85.10175	14.5
86.09675	1.2
91.03953	1.3
91.05453	11.5
92.08858	1.6
93.07018	27.5
95.04942	3.1
95.08021	1.4
95.08596	27.0
97.02866	6.6
97.06509	5.6
97.10155	5.3
105.06997	13.1
107.04964	5.4
107.08549	9.6
109.06496	8.0
109.10132	8.0
117.07001	6.9
119.08558	6.9
121.06475	2.3
121.10144	7.3
123.08039	5.9
123.11682	2.9
133.10054	1.4
135.08029	2.8
135.11670	14.3
145.10107	17.0
149.09654	1.4
150.54349	1.4
153.12796	1.5
157.53265	1.5
158.22993	1.4
163.11174	23.2
173.09628	2.8
181.12233	1.6
184.07291	3.0
191.10646	1.8
204.36041	1.6
209.11702	5.1
283.15359	100.0
313.27341	94.1
413.57739	1.4
521.30847	2.3
521.38336	56.8
537.26483	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80910	0.7
55.05498	1.0
55.67390	0.6
58.06583	1.3
59.18933	0.5
60.08152	8.1
67.05513	0.9
69.07095	0.7
71.07359	4.5
79.05473	0.7
79.49015	0.6
81.07043	0.9
86.09691	47.3
91.05455	0.8
92.09008	5.8
93.07017	1.1
95.08604	0.7
98.98440	3.6
101.89444	0.7
104.10720	3.5
124.99065	1.2
124.99980	31.8
129.58516	0.7
184.07309	100.0
236.15074	0.8
285.18207	0.8
302.11502	0.7
406.46533	0.8
489.06485	0.8
718.46783	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	718.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.8
57.07064	0.6
57.11426	0.4
60.07904	0.5
60.08150	8.4
63.07961	0.4
64.00472	0.4
67.05470	0.9
69.07037	0.7
71.07338	4.9
71.08588	0.5
74.94685	0.4
77.23151	0.5
80.34554	0.6
81.07035	2.0
86.09686	49.9
91.05450	0.8
92.09003	4.3
93.07019	0.8
95.08588	0.9
98.98449	3.5
104.10699	3.2
105.06999	2.1
106.87621	0.5
107.08560	0.6
121.10062	0.7
124.99972	36.2
146.57272	0.5
154.12642	0.5
161.66374	0.6
169.54517	0.5
184.07298	100.0
285.17026	0.8
407.29175	0.5
551.25372	0.5
640.90710	0.6
718.46588	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	718.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.3
55.01863	2.5
55.05510	18.5
57.03433	14.3
57.07070	44.0
61.02910	1.4
67.05489	23.4
69.03426	1.7
69.07058	14.6
70.91894	1.2
71.04974	5.8
71.08622	31.6
73.02882	2.4
79.05475	26.7
81.03381	2.3
81.07038	34.2
83.04989	3.3
83.08603	20.4
85.10155	12.5
87.28410	1.2
89.06023	3.1
91.05457	7.2
92.08867	12.5
93.07022	37.4
93.07564	2.2
95.04961	9.5
95.08588	54.6
95.09196	1.9
97.02879	3.2
97.06539	2.5
97.10108	1.7
99.04478	5.8
105.07023	7.7
107.04961	10.3
107.08577	30.6
109.06496	1.7
109.10149	14.4
117.07024	8.5
119.08558	14.1
121.06478	3.3
121.10134	13.1
123.11701	2.2
133.10136	2.7
135.08041	3.5
135.11673	53.6
145.10118	32.1
163.11160	72.6
181.12233	14.3
184.07286	2.3
191.45576	1.4
227.12755	63.0
239.23659	2.1
257.24603	1.9
283.15356	67.0
313.27319	99.6
432.19220	1.5
447.21552	1.7
468.82745	1.5
475.21307	5.3
493.05847	1.6
521.38330	100.0
561.24939	1.7
622.28107	11.0
691.60675	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64567	0.8
53.03943	1.8
55.01849	0.8
55.05509	8.0
57.03434	1.6
57.07045	1.2
60.15414	0.8
67.05494	17.4
69.07048	7.1
79.05479	22.2
81.03397	35.6
81.07038	19.5
83.04935	1.3
83.08614	6.3
86.04056	0.9
86.09641	1.2
91.05458	17.9
92.09007	5.1
93.07022	22.5
93.07571	1.4
95.04951	12.2
95.08578	12.5
97.10145	1.2
105.07015	13.8
107.04948	5.0
107.08577	9.4
109.06482	1.4
109.10165	5.1
111.08070	1.2
117.06997	1.4
118.93053	1.1
119.08572	6.4
121.06490	1.6
121.10129	7.2
121.29339	1.1
129.07002	4.8
131.08562	6.4
133.10135	4.0
135.11707	1.9
142.07747	1.1
145.10139	2.4
147.08037	1.1
147.11674	3.7
149.09625	1.3
149.13303	1.1
155.01025	1.5
157.10118	2.3
175.11223	2.4
184.07277	1.7
193.12228	4.9
198.76396	1.4
267.15979	1.4
304.26019	1.1
449.02338	1.1
454.35806	1.1
527.37213	100.0
642.13019	1.0
677.24030	1.0
688.69720	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.1
53.03936	3.5
55.01870	14.1
55.05507	26.8
56.18039	0.7
57.03177	1.3
57.03430	21.2
57.07053	1.4
59.02682	0.6
59.04988	4.9
59.30014	0.9
60.61510	0.8
61.02919	7.1
64.33350	0.8
67.05495	24.3
69.03407	5.6
69.07051	7.0
71.01340	1.2
71.04977	4.4
73.02899	1.4
79.05478	28.5
81.03398	20.3
81.07042	39.0
83.01343	12.1
83.04964	17.7
83.08610	18.3
85.02419	1.3
85.02895	27.2
85.06542	3.5
86.12636	0.8
87.04449	1.3
91.03930	1.8
91.05466	42.8
92.08806	6.5
93.07023	42.6
95.04961	13.6
95.08594	11.4
97.02852	10.6
97.06518	8.7
97.10130	1.6
99.04441	4.7
103.05468	1.6
105.03408	1.4
105.06361	1.7
105.07018	33.2
107.04926	16.3
107.08584	21.6
109.02866	13.0
109.06505	10.3
109.10135	5.5
111.04432	5.1
111.08046	6.1
113.01552	1.3
113.02348	38.2
113.05987	1.0
115.03870	1.0
115.05476	0.8
117.06986	13.2
119.08562	20.3
121.02850	1.3
121.06496	11.6
121.10107	11.6
123.04379	3.2
123.08056	11.8
123.11686	1.9
125.05981	3.2
125.09637	1.8
127.03870	2.0
128.06183	1.7
129.05464	5.3
129.06978	3.7
130.07780	1.5
131.08559	3.7
133.06441	1.3
133.10110	60.6
135.08017	4.4
135.11676	13.5
137.05956	1.9
137.09595	3.6
141.05418	1.0
143.08551	7.5
145.10114	22.1
147.08012	5.0
149.09546	1.1
151.07533	1.1
151.11180	21.0
153.06912	1.0
153.09079	1.8
153.12773	1.2
155.07037	1.0
161.09593	30.5
163.11148	33.3
165.09088	1.0
171.08051	5.8
173.09607	3.2
179.10651	35.8
181.12224	3.5
189.09053	9.7
191.10736	1.8
193.12239	1.0
198.27580	1.0
207.10159	12.6
209.11708	4.7
211.13290	5.4
225.11229	4.8
227.12672	1.6
239.12749	3.6
274.27271	1.9
276.55078	0.8
283.15363	84.1
299.66818	0.9
313.16415	88.1
371.20224	0.9
454.86334	1.1
499.93167	0.9
521.27399	100.0
522.27979	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51875	0.2
53.03941	0.5
55.01859	0.4
55.05500	1.9
57.03425	2.3
57.07051	0.2
61.02911	6.7
64.29858	0.2
67.05486	6.9
69.03416	4.6
69.07056	1.4
71.01354	0.5
71.04961	0.5
73.02895	5.7
78.28420	0.2
79.05474	5.0
79.08188	0.2
79.12641	0.2
80.41272	0.2
81.03394	2.7
81.07037	5.4
83.04970	0.5
83.08607	0.5
85.02888	6.9
87.04468	0.4
91.03940	3.8
91.05460	2.4
91.95587	0.2
92.09238	1.3
93.07017	6.1
95.04953	0.5
95.08591	4.5
95.69591	0.2
97.02865	6.3
97.06495	1.1
97.10159	0.4
99.04443	0.9
101.02343	2.6
103.03891	0.3
105.06998	1.6
107.04935	0.3
107.08571	3.4
109.02863	1.5
109.10140	1.8
114.80545	0.2
115.03876	0.3
117.06980	0.5
119.08568	1.1
121.10105	1.8
125.09669	0.3
127.03872	1.7
131.08513	0.4
133.10120	0.5
135.11682	3.3
143.31747	0.2
145.10124	0.8
147.11711	0.9
156.75452	0.3
159.11659	0.2
161.10327	0.2
173.13202	0.3
184.07347	0.4
185.04176	0.5
195.00272	0.3
203.05254	0.3
221.11525	1.2
236.83044	0.3
243.08339	2.0
335.25793	1.0
439.19278	5.0
443.33667	0.3
519.29138	8.1
519.36725	0.4
646.90546	0.2
717.41656	100.0
718.42090	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	716.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10775	1.7
53.00294	1.8
53.03947	2.9
54.87105	1.7
55.01864	4.8
55.05504	33.6
56.51597	1.6
57.03212	1.7
57.03429	25.7
57.07060	3.3
60.08160	2.0
61.02900	9.0
65.03951	1.8
67.05146	2.4
67.05493	65.0
68.67474	1.9
69.03395	3.1
69.06752	2.0
69.07057	27.7
71.04963	4.5
79.05045	3.2
79.05476	45.6
80.00631	2.0
81.02934	2.4
81.03400	62.5
81.07036	82.7
83.04958	26.6
83.08609	29.4
85.02896	38.8
86.09672	15.3
91.05460	48.2
93.07023	41.0
95.04940	31.9
95.08591	43.1
97.02892	4.6
97.06474	3.8
97.10130	9.7
99.08092	3.9
105.07018	31.3
107.04947	4.8
107.08585	13.6
109.06497	4.9
109.10126	12.0
111.04391	3.9
111.08051	12.2
117.07043	2.0
119.08565	28.2
120.08793	2.2
121.06490	2.6
121.10123	20.5
123.11683	7.6
124.99986	10.1
125.09622	3.8
128.04117	2.0
128.06203	1.9
129.06979	9.2
131.08553	14.8
133.06506	2.5
133.10133	15.2
135.11641	2.8
140.82481	2.2
142.07761	2.4
145.10127	4.1
147.11684	20.0
149.09595	4.0
151.23459	2.0
157.10034	15.1
163.11162	4.3
175.11211	14.4
181.12112	3.1
184.07275	35.6
185.07619	4.4
193.12218	32.8
195.00287	4.8
211.13260	40.0
235.20512	2.7
267.15872	12.2
285.16882	65.4
309.24188	62.0
328.40329	2.1
501.35492	12.6
519.29327	3.6
519.36719	100.0
544.36908	4.7
575.39386	17.1
583.64240	2.3
734.21802	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08964	0.8
50.22512	0.9
54.41855	0.7
54.80909	0.9
55.05498	4.2
60.89463	1.0
68.05007	1.8
70.06578	52.4
71.04970	3.9
72.08134	27.1
83.49351	0.9
84.04483	18.1
84.08148	1.4
84.51939	1.0
84.72846	0.9
85.02889	1.3
85.04014	1.4
85.07673	1.3
92.08798	1.7
92.09270	1.4
95.06077	8.5
96.04420	1.4
97.07632	2.0
98.06045	1.1
112.08715	17.4
113.03455	14.0
113.07124	6.9
115.08699	6.0
119.04962	2.0
123.04475	1.2
134.05983	4.8
136.07559	8.8
137.07147	2.0
141.06609	7.4
146.05989	1.3
147.04449	5.6
158.05981	1.5
160.07565	20.2
164.08167	1.6
165.05411	1.5
165.06609	3.7
167.07056	4.7
168.14894	1.5
169.06091	9.9
169.13342	1.0
170.05734	1.5
171.04436	2.1
177.10242	1.4
179.09286	1.7
182.08081	1.7
189.05510	5.4
194.12949	4.8
196.14557	1.2
202.05971	1.1
203.08089	9.7
204.06430	1.3
206.08098	11.2
207.08783	5.1
210.08719	4.4
211.15509	10.6
214.04950	1.0
222.12325	1.0
235.08241	2.1
249.08740	6.4
281.08795	4.4
369.11523	4.3
370.11560	1.8
371.12671	1.7
375.13748	1.6
432.19009	3.9
473.32904	1.0
660.29993	1.1
717.33020	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	716.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
53.00296	0.8
53.03933	4.2
55.01865	4.0
55.05504	47.3
57.03421	3.5
57.07066	1.1
59.04984	1.2
65.03925	0.8
67.05494	17.3
69.03415	9.7
69.07056	24.7
71.04971	6.0
72.09969	0.6
73.02919	0.8
75.71816	0.6
79.00587	0.6
79.05474	16.4
80.46648	0.6
81.03403	29.8
81.07039	56.7
83.04972	7.8
83.08590	4.8
84.08138	0.9
85.02892	5.7
85.06528	7.0
87.04408	0.8
91.05453	13.6
92.09127	4.3
93.07021	51.2
95.04946	12.4
95.08582	45.3
97.02863	4.7
97.06520	9.3
97.10149	73.8
99.04429	10.4
101.05978	1.6
103.05434	0.8
105.03368	11.1
105.06354	1.4
105.07008	26.8
107.04936	1.5
107.08583	43.5
109.02858	36.9
109.06500	14.8
109.10141	38.0
111.04433	3.8
111.08050	4.1
111.11745	1.1
115.05433	0.7
117.06979	2.9
119.04932	1.6
119.07703	1.4
119.08555	36.6
121.02828	1.0
121.06486	6.0
121.10121	100.0
123.04399	3.3
123.08040	17.8
123.11703	10.2
125.05979	3.0
125.09605	42.1
127.03893	14.9
127.07526	6.4
128.06172	0.9
129.06989	3.1
129.41957	0.7
130.07733	0.8
131.04897	2.4
131.08560	11.1
133.06491	1.3
133.10095	21.1
135.04475	1.0
135.08011	7.8
135.11668	33.1
137.02321	1.2
137.05956	1.7
137.09599	11.7
139.07510	0.9
139.11154	17.5
141.09084	3.2
143.08517	6.1
143.10660	11.6
144.09229	1.0
145.02831	3.3
145.10109	21.1
147.04408	5.1
147.08046	3.2
147.11658	18.6
147.12730	1.1
149.05971	1.1
149.09604	19.1
149.13235	16.1
151.07521	5.5
151.11159	21.1
153.09180	1.1
155.10594	0.8
157.10104	5.5
157.12186	0.8
158.10880	0.7
159.08064	1.5
159.11674	16.7
161.09630	5.7
161.13203	5.9
163.07523	1.0
163.11154	22.5
163.14827	0.8
165.09059	3.8
165.12727	4.5
167.07043	1.4
167.10641	27.6
169.10138	1.1
169.12128	1.0
171.07928	0.7
171.10243	1.2
171.11646	4.3
173.09648	1.6
173.13254	5.9
173.14528	0.7
175.07515	2.7
175.11119	10.6
175.14819	3.7
177.05428	4.3
177.09059	0.7
177.12712	16.9
179.10609	4.9
181.12204	38.5
183.11687	2.7
185.09802	1.8
185.11699	16.5
185.13252	4.5
187.11188	2.7
187.14757	9.1
189.09097	1.2
189.11131	1.5
189.12711	1.5
189.16437	0.9
191.10620	1.5
191.14366	0.7
193.12247	9.1
195.11859	1.4
195.13745	15.5
197.13290	1.4
199.11282	1.4
199.13202	14.0
199.14748	1.4
201.12639	1.2
201.16362	1.3
203.10690	1.5
203.12575	0.7
203.14381	1.3
205.12154	4.6
205.15697	0.8
207.06522	0.9
207.13837	0.9
209.13248	1.2
211.13148	0.9
213.12892	1.2
213.14685	0.8
213.16498	0.9
215.10759	0.7
215.14314	2.7
221.11688	1.2
229.14243	1.5
231.13770	1.5
233.15425	1.6
235.16985	1.3
241.15802	0.8
249.14789	1.5
251.12497	1.0
255.17224	0.9
265.19409	1.5
267.08511	1.2
269.19138	0.9
271.94287	0.8
273.21909	1.0
283.20541	4.5
285.14883	1.2
293.13834	4.8
293.18951	3.4
297.13586	0.9
301.21564	10.3
303.15884	4.4
303.23099	4.5
304.68628	0.9
311.14850	29.4
311.20050	7.2
319.22626	7.6
329.15875	13.4
329.21033	16.6
347.16962	3.2
347.22083	25.3
365.18604	1.4
365.23169	28.0
383.24020	1.1
427.24936	1.1
437.24734	1.2
445.25528	0.8
455.24286	1.4
473.25299	12.4
491.26270	11.9
509.27350	22.0
527.28217	6.6
699.47034	0.8
712.34241	0.8
716.34583	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	716.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	0.1
51.02362	0.1
51.79338	0.0
51.90307	0.0
53.00305	0.1
53.03935	0.4
55.01846	0.1
55.05488	0.0
57.03424	0.1
59.96915	0.0
60.25944	0.0
61.02889	0.0
65.03899	0.4
67.01849	3.9
67.05482	0.2
69.03413	0.4
69.07068	0.0
71.04612	0.1
71.04976	1.1
79.05472	0.1
81.03395	5.6
81.07026	0.2
85.02879	1.4
86.09644	0.0
91.05453	5.5
92.08971	0.4
92.59050	0.0
93.07002	0.1
95.04926	0.1
95.08586	0.1
97.02864	2.4
99.04425	2.3
103.05441	0.1
103.26978	0.0
105.03358	0.3
105.07008	0.1
107.04927	0.1
107.08581	0.1
109.02854	17.1
109.10153	0.1
119.04911	19.9
121.10072	0.1
127.03883	19.8
133.10048	0.1
137.09583	0.1
139.03868	0.6
146.03545	0.1
147.04376	100.0
148.04738	0.5
157.06418	0.1
159.11665	0.0
165.05367	0.4
165.20624	0.0
169.04915	3.7
185.06050	0.1
187.05940	0.1
187.07489	0.1
211.05949	0.1
213.05457	0.2
229.07018	0.9
245.07921	0.1
255.06398	0.8
273.07495	12.4
289.09125	0.5
313.10468	0.1
345.27548	0.0
371.13913	0.1
393.11691	4.0
430.58713	0.0
473.73627	0.1
514.85449	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	716.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.01860	0.1
57.03434	0.1
61.02899	0.2
64.16496	0.1
65.03921	0.4
67.01839	1.0
68.99775	0.4
69.03413	1.6
69.89545	0.1
71.04973	0.9
78.70353	0.1
81.03395	8.3
81.86856	0.1
83.01320	0.1
85.02883	0.6
91.05456	5.2
92.08810	0.7
95.04942	0.1
97.02866	3.3
99.04427	6.3
103.03941	0.1
109.02857	13.0
115.03880	0.1
119.04912	20.1
120.14715	0.1
125.02321	0.1
127.03883	14.1
145.04945	0.6
147.04379	100.0
148.04697	0.4
152.88655	0.1
157.06477	0.2
169.04915	20.1
185.06029	0.1
187.05956	1.7
187.07471	0.2
193.07927	0.1
211.05954	1.4
229.07008	1.6
247.07991	0.8
255.06438	1.4
269.18753	0.1
273.07498	4.2
315.08542	10.4
393.11557	0.4
435.12744	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	716.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07204	0.1
53.03938	0.7
56.54146	0.1
59.58730	0.1
63.02365	0.1
65.03925	0.4
65.69336	0.1
67.01853	3.2
67.22403	0.1
68.87332	0.1
69.03420	1.0
69.88048	0.1
71.04974	0.6
76.79427	0.1
81.03399	5.3
82.55637	0.1
85.02886	0.6
91.05459	6.1
92.09142	0.1
92.63443	0.1
97.02876	2.3
99.04424	1.8
109.02862	11.7
113.07560	0.1
119.04917	20.7
127.03891	12.4
139.03889	0.2
145.58261	0.1
146.39900	0.1
147.04385	100.0
148.04704	0.1
165.05460	0.1
169.04918	3.1
175.90457	0.1
210.99358	0.1
213.05353	0.1
219.98950	0.1
229.07014	0.2
255.06471	0.6
273.07507	10.7
296.65045	0.1
304.79260	0.1
315.08371	0.1
393.11682	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	716.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
56.99007	0.2
57.03407	0.2
65.03921	0.3
67.01842	1.0
67.70287	0.2
68.99788	0.2
69.03413	4.0
71.04965	0.4
77.78414	0.2
81.03399	13.5
85.02888	3.0
85.43894	0.2
91.05454	5.6
92.08710	0.5
92.09312	0.6
97.02870	5.0
99.04430	5.2
105.90701	0.2
108.04453	1.0
109.02862	21.4
115.65492	0.2
119.04916	20.1
122.36882	0.2
127.03883	9.0
139.03885	0.3
147.04387	100.0
148.04749	0.8
157.06464	0.3
169.04921	21.0
187.05968	2.6
187.07497	0.3
199.94260	0.2
211.01671	0.2
211.05984	1.5
229.07027	0.3
235.41472	0.2
247.08188	0.3
255.06465	1.3
273.07498	4.2
315.04834	0.3
315.08557	9.9
316.08850	0.2
384.21774	0.2
435.12671	2.7
490.81100	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
57.03415	0.1
59.39497	0.1
61.02903	0.1
63.51521	0.1
65.03920	0.3
67.01855	1.5
68.43602	0.1
69.03416	1.0
69.11882	0.1
71.04967	0.6
71.78123	0.1
81.03399	8.6
83.01304	0.1
85.02887	0.8
91.05462	4.6
92.09108	0.2
97.02872	4.0
99.04433	2.4
105.03401	0.3
109.02865	18.6
119.04919	17.9
127.03889	9.0
139.03876	0.3
147.04388	100.0
148.04736	0.6
155.46144	0.1
161.79008	0.1
169.04929	9.7
187.05957	0.2
229.06943	0.3
255.06454	1.2
273.07504	5.1
315.08575	5.6
351.10635	1.5
393.11765	3.6
454.50494	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	715.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
54.81785	0.1
55.05503	0.6
57.03426	1.5
57.07066	0.1
61.02927	0.2
61.11039	0.1
62.83519	0.1
67.01896	0.1
67.05493	0.7
69.03416	0.8
69.07063	0.5
71.04961	0.2
73.02910	0.2
79.05486	0.2
81.03396	1.9
81.03814	0.2
81.07043	1.2
83.08616	0.2
85.02899	0.6
87.04916	0.1
87.64286	0.1
89.93325	0.1
92.08725	0.4
92.09317	0.2
93.07034	0.2
95.08600	1.1
97.02876	1.7
97.10158	0.1
99.04444	0.7
105.06959	0.1
107.08574	0.1
109.02858	1.9
109.10126	0.4
117.05484	0.8
123.11725	0.2
125.02090	0.1
126.59574	0.1
127.03916	1.3
130.15298	0.1
133.63495	0.1
145.04997	0.2
155.03119	0.2
159.06519	1.6
186.49225	0.1
187.05949	0.2
191.77959	0.1
209.04184	0.9
227.05276	0.8
269.06290	1.2
287.07306	22.8
288.07767	0.2
293.20700	0.2
311.21887	3.9
313.66162	0.1
369.26315	0.3
497.26923	0.2
537.91504	0.1
544.30255	0.1
557.29187	19.4
558.30139	0.5
585.95715	0.2
655.32910	4.7
655.42560	0.2
715.34955	100.0
716.35187	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	715.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99165	0.3
54.69675	0.4
55.05512	1.0
57.03437	0.6
67.05495	2.1
69.03424	0.5
69.07052	0.9
71.05000	0.4
79.05483	1.8
81.02977	0.4
81.03410	3.0
81.07043	2.8
81.45773	0.4
83.08582	0.5
85.02895	0.5
91.05490	1.0
92.09096	2.0
93.07033	2.2
95.04963	0.7
95.08602	2.6
97.02862	0.8
105.07037	0.6
105.91436	0.5
106.43629	0.5
109.02888	2.0
109.10153	1.0
117.05486	3.1
121.10131	0.7
125.31693	0.5
138.01070	0.5
151.83049	0.5
269.06403	0.9
287.07260	0.8
327.19824	0.5
329.08496	4.7
409.25711	0.7
410.21030	0.6
535.28857	0.6
595.30658	2.1
599.30560	2.3
655.32458	3.3
715.34961	100.0
716.35327	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24115	0.3
53.03925	0.7
55.05505	10.0
56.04803	0.3
56.05034	6.5
57.07062	3.4
58.06577	0.6
60.04509	1.9
60.76586	0.3
65.03947	0.4
67.05494	14.3
68.05009	1.3
69.03419	1.6
69.07051	10.2
70.06568	1.9
71.08611	2.2
79.05470	12.4
80.05001	4.0
81.03391	0.6
81.05772	2.2
81.07032	13.2
82.06564	9.8
83.04939	0.4
83.08599	7.7
85.02880	2.3
85.10164	0.6
90.07203	0.3
91.05464	11.2
92.08999	2.5
93.05756	0.6
93.07021	12.5
94.06545	24.4
95.04937	1.8
95.07333	12.2
95.08585	9.8
96.07535	0.4
96.08118	8.0
97.02853	1.4
97.06485	0.5
97.10139	3.2
98.06004	0.3
100.07558	0.3
105.04460	0.5
105.07012	6.0
107.07304	0.4
107.08576	5.6
108.08102	4.4
109.10158	3.5
110.09700	0.7
117.07010	0.4
119.08553	5.6
121.10102	6.2
122.09644	3.1
123.11674	1.3
133.10095	4.1
135.10432	0.8
135.11662	3.8
136.11171	1.3
147.11690	1.4
149.13229	0.8
151.14867	0.4
161.13206	0.6
163.14781	0.4
193.19490	0.4
233.22672	1.6
234.22148	0.5
245.22559	4.3
250.25249	7.6
254.24802	0.5
262.25238	100.0
263.25568	2.1
272.25775	2.7
280.26321	6.4
312.25323	0.5
504.47787	4.3
516.47687	28.2
517.47485	1.3
518.49213	5.0
534.48730	17.3
535.49103	0.6
606.87506	0.4
613.58026	0.4
696.53986	7.4
697.54736	0.4
733.83185	0.4
744.38397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5508
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
50.85270	0.3
53.03934	0.6
55.05501	8.8
56.05026	4.6
57.06840	0.3
57.07061	3.9
58.06579	0.4
60.04500	2.1
61.02916	0.3
61.09322	0.3
63.13681	0.3
65.03927	0.6
67.05486	13.9
68.05007	1.4
69.03403	0.7
69.06712	0.5
69.07050	9.6
70.06555	1.8
71.08591	2.0
72.04501	0.3
76.03979	0.4
79.05467	11.2
80.04999	3.4
81.03366	0.4
81.05765	2.0
81.07030	13.7
82.06564	8.9
83.08605	5.7
84.08090	0.6
85.02866	2.0
85.10166	0.7
91.04887	0.5
91.05456	8.9
92.09251	1.7
93.07019	12.6
94.06536	20.2
95.04930	1.5
95.07323	11.2
95.08584	9.8
96.08102	7.0
97.02848	0.7
97.06528	0.4
97.10149	2.7
100.07604	0.4
105.07005	7.0
107.08574	5.4
108.08080	3.4
109.10134	3.8
111.11653	0.6
119.08567	5.3
121.10105	7.1
122.09667	3.4
123.11668	0.8
133.10065	3.1
135.10461	0.4
135.11667	3.1
136.11194	1.3
137.41269	0.3
145.49503	0.3
147.11601	1.2
149.13225	1.3
151.14751	0.5
153.65521	0.3
161.13257	0.7
193.19559	0.4
233.22585	1.6
234.22147	0.4
245.22632	3.7
250.25221	8.7
254.24600	0.6
260.23660	0.5
262.25220	100.0
263.25650	1.6
272.25723	3.0
280.26251	6.5
312.25217	0.5
504.47781	4.4
516.47595	26.4
517.48279	0.5
518.48969	4.5
534.40698	0.6
534.48694	19.8
535.49396	0.5
633.82874	0.3
696.53912	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	714.478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01414	0.7
53.00286	1.1
53.03925	3.8
54.82509	0.8
55.01850	0.8
55.05265	1.3
55.05505	27.7
56.40287	0.8
57.03426	21.5
57.07050	4.4
59.04971	0.8
61.02911	3.9
65.03905	3.5
67.05490	75.6
69.03387	1.7
69.06717	1.3
69.07056	29.1
71.04962	3.8
71.28674	0.8
73.02893	0.9
79.05473	52.8
81.03407	1.6
81.07036	100.0
83.04958	4.5
83.08600	14.5
85.02879	3.7
85.06522	5.5
86.09676	1.6
91.04882	1.5
91.05457	42.5
92.08809	1.3
93.07018	63.8
95.04946	7.2
95.08580	60.5
97.02856	1.5
97.06496	6.8
97.10130	6.3
99.08045	1.0
101.65797	1.0
102.77972	0.8
103.05432	1.1
105.07009	53.8
107.08570	35.1
109.06506	4.8
109.10133	24.0
111.08067	3.1
115.05402	1.0
117.07000	11.4
119.08555	41.9
121.10115	27.3
123.08006	3.8
123.11700	7.5
125.00013	1.9
129.06975	4.9
131.08548	23.1
133.10109	22.4
135.08051	1.1
135.11678	14.9
137.09573	1.2
142.07750	0.9
143.08546	7.9
144.68404	0.9
145.10097	20.7
147.11670	25.2
149.13245	8.8
151.11147	0.9
155.08434	1.4
157.10126	6.7
159.11658	14.5
161.09572	1.0
161.13188	7.5
163.11192	3.3
163.14777	1.7
165.12720	5.4
169.10075	4.1
171.11615	7.1
173.13222	10.9
175.14818	3.8
183.11661	3.4
184.07294	5.7
185.13225	4.5
187.14836	4.6
189.16316	1.3
195.00311	4.2
197.13234	1.5
199.14792	2.1
201.16367	1.8
211.14647	1.3
213.16389	1.1
216.98444	0.9
225.16287	1.1
239.16307	19.3
241.17833	3.8
259.20599	4.3
261.22086	1.5
263.20068	1.1
273.22089	1.2
285.22116	1.0
287.23718	1.1
293.21591	0.9
297.21918	1.0
299.23688	1.1
305.21268	0.9
333.24188	3.2
335.25748	26.1
395.26889	1.2
407.33136	3.1
425.33981	11.4
443.35300	6.4
465.34488	0.9
498.26657	0.9
499.37695	24.5
517.38788	75.7
518.38995	1.3
542.34967	1.7
738.21332	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60183	0.4
55.01864	0.5
55.05491	3.0
57.03421	3.2
57.07059	0.5
61.02909	5.5
64.08302	0.5
67.05492	4.1
69.03415	4.4
69.07047	0.8
70.06525	0.4
71.04961	1.0
73.02887	4.1
79.05476	3.1
81.03384	5.5
81.07038	4.3
83.04960	2.1
83.08582	2.3
85.02870	7.6
85.03302	0.6
85.06514	2.0
86.09677	0.8
91.03947	5.3
91.05442	4.3
92.08641	1.0
92.09240	1.5
93.06513	0.7
93.06995	5.0
95.04970	3.4
95.08573	3.1
97.02869	6.0
97.06510	0.7
97.10146	1.0
99.04436	2.3
101.02357	2.0
103.03901	0.7
104.83421	0.4
105.03373	4.1
105.07019	3.3
107.04957	1.0
107.08581	3.0
109.02827	2.1
109.10137	2.5
111.08053	0.7
115.03901	0.7
117.05497	0.7
119.04921	0.5
119.08554	3.3
121.10106	2.2
123.04259	0.7
125.09594	1.1
127.03886	3.5
127.11121	0.5
129.05461	2.7
129.06944	0.8
131.08533	1.1
133.10135	1.9
137.05840	0.9
137.09639	0.6
145.02820	0.9
145.04970	0.5
145.10120	1.2
147.04433	0.9
147.11696	2.1
149.09669	0.5
151.07504	0.7
157.10159	0.9
159.11736	0.6
163.03912	2.0
163.11102	0.8
177.05533	0.7
181.04755	1.1
185.04158	7.5
193.12204	2.6
199.05835	0.9
201.03700	1.9
203.18037	0.6
241.06978	0.7
243.08324	4.4
251.12479	5.0
277.14124	2.8
291.15579	1.0
301.08856	19.0
301.12143	0.8
315.10471	4.1
327.10461	0.8
341.12109	1.0
343.13705	0.8
349.16138	3.9
355.13602	1.1
357.15045	0.7
367.17303	1.1
371.16678	1.1
373.10919	5.8
383.16641	3.9
385.18295	7.9
387.12598	2.7
395.16934	2.8
401.14084	0.8
429.17535	0.9
433.25546	2.0
439.19162	0.8
441.20905	0.6
443.18823	6.3
457.20123	0.6
469.20416	15.5
479.26422	1.7
483.21750	0.7
485.19974	3.0
499.21298	4.3
527.28168	0.6
528.21710	2.7
541.22260	8.7
555.23810	1.2
569.26007	2.7
583.28186	0.8
611.29883	4.3
612.31012	3.0
653.32648	0.6
695.32190	2.3
713.33240	100.0
714.33630	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	713.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01855	0.4
55.05488	0.5
57.03421	2.1
61.02896	0.7
63.55297	0.3
67.05473	1.8
69.03065	0.6
69.03410	10.5
69.07050	0.5
71.04958	2.1
73.02882	0.8
77.03922	0.4
78.78005	0.3
79.05476	9.7
81.03394	17.3
81.07048	2.6
83.04951	0.6
83.08608	0.7
85.02888	11.2
87.04467	0.4
91.05452	8.7
92.03450	0.3
92.09193	1.9
93.07008	2.0
95.04945	8.7
95.08601	1.5
97.02875	10.9
99.04436	3.3
105.03370	100.0
105.04518	2.5
105.06997	1.9
106.06538	7.0
107.04942	8.5
107.08575	1.6
109.02866	7.1
109.10143	0.8
111.08077	0.5
117.06979	0.5
119.08556	2.4
121.06474	0.6
121.10117	0.7
123.04403	7.6
125.09674	0.4
127.03884	7.7
129.06978	0.7
131.08540	0.7
132.04448	1.8
133.10077	0.9
133.54076	0.3
134.05997	0.5
135.04393	1.5
135.08002	0.5
135.11699	0.6
137.05952	0.5
137.09679	0.5
140.51740	0.4
143.92874	0.4
145.04941	2.2
145.10112	0.8
147.04390	0.7
147.11627	0.6
157.10117	0.5
158.05988	1.4
163.03821	0.6
167.07114	0.4
175.11205	0.4
176.07085	0.4
177.05424	0.8
191.14334	0.4
193.12236	0.5
231.06570	1.2
249.07526	10.7
251.09125	3.4
267.06018	0.4
267.08569	14.3
278.10178	19.3
278.13162	0.7
279.08609	1.6
285.10056	0.7
297.09534	0.6
358.11472	0.4
400.13776	0.4
447.27124	0.5
448.27521	0.5
713.31390	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
53.03711	0.3
53.03938	4.6
55.01852	0.6
55.05491	0.3
57.03411	2.0
61.02903	1.1
66.12527	0.2
67.05492	2.1
69.03075	0.4
69.03418	9.3
69.07049	0.5
71.01324	0.3
71.04971	1.9
73.02895	1.2
77.03901	0.5
79.05476	8.5
81.03403	15.6
81.07043	2.3
83.04958	0.4
83.08639	0.3
85.02890	9.6
85.41377	0.3
91.05462	8.6
92.09001	0.2
93.07024	1.7
95.04951	7.1
95.08602	1.0
97.02867	13.0
97.06545	0.3
99.04426	3.0
105.03374	100.0
105.07018	1.7
106.06536	6.3
107.04939	7.8
107.08614	0.6
108.04504	0.4
109.02864	8.0
109.06464	0.4
109.10135	1.5
112.26249	0.2
115.03952	0.3
116.05022	0.3
117.07005	0.5
118.06506	0.4
119.04906	0.3
119.08560	1.7
121.10098	0.3
123.04406	7.6
127.03899	7.3
129.06911	0.5
131.08562	0.6
132.04396	1.9
133.10083	0.6
134.06013	0.5
135.04414	0.6
135.11641	0.3
137.09654	0.3
143.30278	0.2
145.04959	1.9
145.06415	0.3
145.10045	0.5
147.04422	1.1
147.08127	0.4
147.11720	0.5
156.92583	0.3
158.06046	1.1
163.03922	0.3
171.11620	0.3
172.05997	0.4
173.13312	0.3
176.07066	0.4
185.28281	0.2
193.12376	0.3
194.12590	0.3
218.07826	0.3
231.06514	1.2
249.07535	10.7
251.09081	4.6
267.08582	12.1
278.10172	21.6
279.08667	1.6
280.77765	0.3
285.09912	0.4
297.09695	0.4
400.13855	0.6
447.27582	0.4
467.19101	0.4
695.32831	0.5
713.31671	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	711.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
54.82120	0.6
55.01859	1.2
55.05499	5.2
57.03426	5.7
57.07049	0.5
58.63499	0.5
59.04985	0.8
60.09417	0.6
61.02914	6.6
67.05488	8.5
68.05816	0.5
69.03417	5.7
69.07037	3.9
71.01329	0.7
71.04979	1.2
73.02907	4.0
81.03393	16.6
81.07043	11.7
82.03772	1.2
83.04969	5.2
83.08591	4.4
84.95990	0.6
85.02893	12.5
85.06503	1.4
86.03264	0.6
86.09683	0.8
91.03928	3.4
91.04894	0.8
91.05453	12.7
92.05787	1.2
92.09068	1.3
93.07016	9.0
94.07353	0.7
95.04944	7.0
95.08584	5.0
97.02867	6.3
97.06509	2.3
97.10153	0.6
99.00824	0.7
99.04435	1.3
101.02338	1.3
105.03387	5.0
105.07013	9.8
107.04944	2.5
107.08576	6.1
108.17872	0.5
109.02872	3.0
109.06489	2.5
109.10148	3.6
111.04416	2.7
111.08064	2.8
115.05442	0.7
117.07001	1.1
119.04961	0.6
119.08561	6.9
120.08864	1.3
121.06468	0.9
121.10112	4.0
123.04394	0.9
123.08054	1.0
123.11691	1.1
124.99945	1.0
125.09592	1.2
127.03839	2.3
129.06992	1.4
131.08549	4.6
133.10115	7.7
135.11673	2.4
137.09578	2.5
143.08514	0.7
145.04973	0.6
145.10158	2.7
147.04358	3.8
147.08015	1.3
147.11641	4.9
148.11945	0.9
149.09634	1.2
151.11157	2.3
157.10100	3.4
159.11621	0.8
161.09607	1.4
163.03899	1.4
163.11253	0.7
164.11623	0.6
165.12790	1.1
167.07047	0.9
168.92026	0.5
175.11166	3.0
177.05402	1.2
179.10651	0.8
184.07326	2.8
189.09016	0.8
193.12181	8.0
194.12526	1.0
211.13216	3.8
212.13460	0.7
227.12775	0.7
243.08307	0.7
267.15839	4.7
268.16248	1.2
269.12225	3.3
283.15375	0.7
285.16910	3.3
286.17130	2.3
307.14926	0.7
351.75305	0.7
459.27216	2.3
460.27734	1.3
469.20270	9.7
477.28079	2.1
478.28848	2.1
483.18518	5.2
495.29092	4.6
496.29553	1.0
512.28687	0.8
514.29126	0.8
568.75610	0.6
657.32007	0.7
667.36664	1.2
711.31610	100.0
712.32001	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	712.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.9
53.03932	3.0
54.81708	0.7
55.01854	3.7
55.05501	26.8
57.03426	39.0
57.07064	4.1
61.02909	7.5
65.03910	1.4
67.05487	98.6
69.03412	1.9
69.07050	29.7
71.01339	5.0
71.04978	8.4
71.08618	1.5
79.05470	83.9
81.03397	7.9
81.07034	77.2
82.05609	0.9
83.04961	15.8
83.08594	11.1
85.02875	6.0
85.06511	4.4
91.03949	2.7
91.05458	39.3
92.08681	0.8
92.09164	2.6
93.07016	99.9
95.04943	9.7
95.08577	42.1
97.02865	3.2
97.06493	17.8
97.10145	17.0
99.08113	3.0
105.07009	18.4
107.04920	3.0
107.08569	66.3
109.06509	3.8
109.10133	21.4
111.08054	3.6
117.06995	11.2
119.08541	14.3
121.06475	1.6
121.10112	28.8
123.08073	0.8
123.11677	4.2
125.09605	1.2
129.07016	1.1
129.63611	0.7
131.08568	10.8
133.10088	13.6
135.08054	1.1
135.11656	66.9
136.11945	1.1
137.09604	1.9
137.13205	1.5
143.08446	0.9
145.10107	20.0
147.11732	2.6
149.13246	5.8
151.11183	1.6
153.12721	1.7
159.11674	5.1
161.13231	3.9
161.87442	0.8
163.11147	10.4
163.14804	1.9
173.13228	4.0
181.12178	11.6
187.14679	1.1
199.13251	1.5
201.16304	0.9
243.20996	3.9
253.14282	4.4
255.15836	100.0
261.22098	13.2
335.25702	52.8
399.19846	0.8
423.32367	1.4
441.33292	1.4
497.36182	0.9
503.19815	0.9
515.37195	86.3
516.37439	1.3
533.38281	3.7
652.06000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16003	0.4
53.03936	3.7
55.01858	3.9
55.05501	15.0
57.03427	18.8
57.07049	0.6
61.02895	1.1
61.85712	0.6
65.03939	0.6
67.05488	25.5
69.03410	5.3
69.07055	7.4
71.04967	3.9
73.02905	0.6
79.05470	27.2
81.03396	100.0
81.07034	25.8
83.04961	13.4
83.08601	25.4
85.02888	13.4
85.06529	1.3
91.05462	28.2
92.08750	0.6
93.07025	16.2
95.04945	32.7
95.08601	9.8
97.02847	4.5
97.06518	3.7
97.10151	6.7
99.04440	0.8
99.08062	0.8
100.20919	0.6
105.03387	0.9
105.07016	24.3
107.04941	8.7
107.08581	8.4
109.02905	0.6
109.06512	6.4
109.10133	5.2
111.04430	2.9
111.08061	9.2
113.05946	0.7
115.05440	1.0
115.59452	0.6
117.06998	3.0
119.04925	0.9
119.08562	21.0
121.06485	5.2
121.10114	8.3
123.07998	4.1
123.11700	0.9
125.09598	4.3
129.06969	14.3
131.04889	0.8
131.08537	13.2
133.06467	5.0
133.10097	11.3
135.08043	1.2
135.11671	0.8
137.05923	0.7
137.09599	1.1
141.06914	0.7
142.07790	3.7
145.06496	4.6
145.10121	2.8
147.08038	4.8
147.11671	12.3
149.09573	8.7
155.08534	1.2
157.10104	17.1
159.11641	0.7
161.09569	0.7
161.67160	0.6
163.11169	1.2
165.12761	3.2
169.06430	0.7
171.08054	0.9
175.11150	14.7
183.06631	0.6
184.07195	0.7
185.13228	0.6
187.11255	1.0
187.25087	0.6
189.11201	2.1
193.12198	37.1
194.12666	0.6
195.11682	2.4
197.13258	1.1
211.11343	1.1
211.13246	16.0
219.13786	0.7
233.15201	0.7
237.12688	0.8
249.14920	1.1
255.13792	1.2
267.15851	75.3
268.16159	0.9
273.14767	4.7
277.22058	0.6
285.16907	11.0
339.23172	0.8
341.21042	2.6
349.21634	2.6
367.22586	6.2
380.66983	0.6
385.23633	8.2
403.24576	2.4
433.25851	11.5
441.26123	5.1
459.27298	51.4
460.27475	1.3
477.28357	36.3
478.28427	0.8
495.29468	1.0
518.84021	0.6
519.29456	1.2
539.27393	0.7
650.17157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70892	0.1
53.94163	0.1
55.01856	0.3
55.05506	1.4
56.05021	0.7
56.58227	0.1
57.03432	1.2
57.07064	0.1
58.06581	0.2
60.08153	8.8
61.02919	0.2
64.75468	0.1
65.03920	0.2
67.05490	2.6
69.03407	0.6
69.07057	0.8
70.06544	0.1
71.04975	0.7
71.07355	3.7
73.02903	0.1
79.05472	2.7
80.05793	0.2
81.02923	0.3
81.03398	6.1
81.07037	2.9
83.04977	1.3
83.08622	1.2
85.02887	1.5
85.06503	0.2
86.09689	42.2
91.05457	2.8
93.07027	2.5
95.04951	2.5
95.08562	1.4
97.02853	0.7
97.06497	0.6
97.10141	0.6
98.98434	2.9
104.10726	3.2
104.11391	0.3
105.03384	1.1
105.07015	2.3
107.04948	1.1
107.08588	1.6
109.02833	0.2
109.06480	0.7
109.10182	0.4
111.04419	0.3
111.08051	0.8
113.05973	0.1
117.06992	0.3
119.08574	2.2
121.06470	0.3
121.10097	1.0
123.08059	0.3
123.11678	0.2
124.99979	30.2
125.09590	0.5
129.06958	1.0
131.08537	1.5
133.06461	0.3
133.10106	1.2
135.04425	0.2
135.08014	0.3
135.11676	0.7
137.05960	0.6
137.09554	0.2
142.07767	0.3
143.00914	0.4
145.02756	0.2
145.06322	0.2
145.10109	0.8
147.04401	0.2
147.08058	0.5
147.11678	1.2
149.09569	0.6
151.11198	0.2
155.08510	0.2
157.10118	1.1
159.11638	0.3
161.09566	0.3
163.03874	0.7
163.11159	0.6
163.78732	0.1
165.12727	0.2
175.11130	1.1
177.05377	0.2
184.07304	100.0
185.07602	0.3
186.76970	0.1
193.12219	2.6
194.12602	0.2
211.13219	1.6
267.15860	3.1
283.15323	0.2
284.15695	0.2
285.16913	1.6
302.17041	0.2
385.23404	0.3
459.27325	2.6
475.27417	0.2
476.26993	0.3
477.22220	0.2
477.28357	4.0
495.29489	1.3
642.32928	0.2
660.34949	15.1
661.34320	0.6
710.19257	0.2
710.35773	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.9
54.49130	1.2
55.05499	5.1
57.03421	5.3
61.02888	2.1
67.05481	7.8
69.03411	11.9
69.07045	2.1
71.04971	1.6
74.80685	1.2
79.05473	3.1
81.03398	36.5
81.07050	9.3
83.04965	1.8
83.08601	2.2
85.02877	2.4
87.03069	1.2
91.05429	2.1
92.08757	5.2
93.07006	7.8
95.04950	1.5
95.08582	3.2
97.02841	11.5
105.07016	1.8
107.08554	2.5
109.02860	100.0
109.06491	1.7
109.10134	5.5
117.05463	12.2
119.08547	2.0
121.10144	1.4
127.03874	23.6
133.10095	1.6
139.03923	1.9
141.56897	1.3
145.04979	1.5
145.10095	1.5
159.06488	11.7
169.04938	15.4
181.03722	1.2
187.05841	1.3
229.07060	8.1
289.08978	1.6
369.26340	7.2
387.27374	2.1
407.83005	1.2
411.27216	2.2
466.51920	1.4
710.37292	6.6
741.27924	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.1
52.52244	0.1
53.00298	0.2
53.03940	10.8
55.01863	0.8
55.05503	2.5
57.03428	11.8
57.07071	1.0
61.02914	3.6
64.60629	0.1
67.01855	2.4
67.05490	3.3
69.03413	7.1
69.07051	4.2
71.04976	2.5
71.08610	0.2
71.27406	0.1
73.02907	0.6
79.05463	1.3
79.24064	0.1
79.81512	0.1
81.03399	26.5
81.07039	5.2
83.04959	0.5
83.08597	2.9
85.02888	5.6
85.06514	0.3
91.05449	1.3
92.08654	0.4
92.09284	0.5
93.07018	1.6
95.04953	0.2
95.08582	5.1
97.02869	14.8
97.06505	0.7
97.10155	2.0
99.00803	0.2
99.04431	7.5
103.03909	1.4
105.07018	1.3
107.08580	1.3
109.02860	32.6
109.10144	2.4
111.08054	0.1
111.11707	0.7
115.03928	0.6
117.05466	9.2
119.08549	1.4
121.02838	0.2
121.10117	1.5
123.08028	0.4
123.11684	1.3
125.09592	0.1
125.13360	0.1
127.03889	23.2
133.10117	1.3
135.11674	1.5
135.95995	0.1
137.09581	0.4
137.13254	0.6
139.11211	0.1
139.33084	0.1
145.04971	0.9
147.11659	1.4
149.13223	0.3
151.11140	0.6
151.14854	0.2
153.12766	0.2
159.06496	100.0
160.06824	0.6
161.13211	0.9
165.12625	0.2
169.04906	2.3
175.14771	0.3
179.14331	0.2
187.05972	7.5
193.19507	0.2
211.20564	0.1
217.19507	1.7
229.07019	2.1
235.20537	1.5
247.08073	9.4
248.08447	0.1
253.21541	1.8
271.22644	2.3
369.26379	2.3
387.27332	1.2
411.27090	0.2
447.29636	1.2
701.48303	0.1
733.01300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72429	0.5
53.03931	1.0
55.01862	3.6
55.05262	0.9
55.05504	14.8
57.03426	16.0
57.07068	1.4
59.05000	1.0
61.02908	2.7
63.96247	0.5
65.03925	1.0
67.05493	49.4
69.03412	4.0
69.07056	13.9
71.04995	4.5
73.02895	1.0
76.43162	0.6
79.05473	29.8
81.03401	66.5
81.07037	52.6
83.04965	11.4
83.08607	18.8
85.02887	3.9
85.06514	3.7
86.09679	0.7
91.05464	22.5
93.07024	41.1
93.92745	0.6
94.63226	0.6
95.04945	23.2
95.08588	15.7
97.02864	4.0
97.06516	8.3
97.10131	3.2
99.04443	0.9
99.08065	2.6
101.88986	0.5
105.03358	1.0
105.04486	0.7
105.07017	14.8
107.04922	5.8
107.08582	23.2
109.02883	0.6
109.06489	4.5
109.10154	5.5
111.04417	1.2
111.08066	9.9
113.54816	0.7
115.05437	1.1
117.06983	5.7
119.08554	13.5
121.06451	4.6
121.10121	14.6
123.08044	2.8
123.11683	2.6
125.09587	1.5
129.06976	7.7
131.04823	1.0
131.08530	13.0
133.06496	3.2
133.09187	0.7
133.10117	11.9
135.07928	0.9
135.11661	5.9
142.07767	2.7
143.08566	0.9
145.06493	0.7
145.10118	3.2
147.04399	1.5
147.08029	3.2
147.11659	6.9
149.09576	5.1
149.13248	16.8
151.11130	1.0
155.08554	0.9
157.10109	8.2
159.11667	9.4
163.11142	3.2
165.12756	1.3
171.11717	0.7
175.11172	8.0
177.12665	4.0
191.25694	0.6
193.12225	17.7
195.13791	5.5
209.11665	1.0
211.13246	1.3
228.13203	0.7
249.14856	0.8
267.15866	43.7
269.17419	46.8
285.17047	0.9
349.23758	1.2
417.26199	0.7
435.21857	0.6
435.27341	6.0
436.86908	0.8
443.28189	0.9
461.28903	100.0
462.29187	1.5
475.26520	1.0
479.29990	2.6
503.29749	0.9
511.27789	0.8
649.52081	0.8
698.06531	0.6
708.33521	3.5
709.32678	1.2
738.79224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44460	0.3
53.86020	0.3
57.07061	0.8
60.08150	7.0
67.05478	2.1
70.11913	0.4
71.07340	3.8
73.45032	0.4
77.74619	0.4
79.05483	0.7
81.07038	0.9
86.09689	48.1
91.05445	0.5
92.08998	3.4
93.07013	1.8
95.08576	0.7
98.98455	3.9
104.10729	3.5
105.07004	0.6
109.10160	0.5
124.99057	1.0
124.99979	29.9
135.11652	0.4
184.07301	100.0
263.43918	0.5
327.92422	0.5
365.58829	0.4
442.23947	0.6
458.32434	0.4
459.93765	0.4
708.36200	0.8
708.47888	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	708.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	53.1
57.12405	3.3
58.61707	3.8
92.08629	7.9
92.09179	11.9
93.72350	4.1
162.87233	4.3
177.56926	4.3
251.04659	16.9
327.07718	100.0
383.13983	23.9
398.95667	4.2
439.20236	61.8
495.26459	58.9
501.26047	4.9
551.32788	9.6
607.39081	39.8
663.45416	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.1
53.53518	1.4
55.01861	17.3
55.05502	44.8
57.03429	37.6
57.07056	2.3
59.04971	1.9
61.02908	8.0
61.79659	1.5
63.75685	1.4
67.05489	55.3
69.03419	12.7
69.07053	13.7
71.04968	4.2
73.02878	7.5
74.69781	1.9
79.05476	55.4
81.03394	100.0
81.07033	51.5
81.14273	1.7
82.04145	3.9
82.22356	1.8
83.04967	38.4
83.08605	31.9
85.02889	35.5
85.06515	7.9
91.05457	58.4
92.09084	3.1
93.07014	41.0
95.04939	46.3
95.08582	21.0
97.02877	19.7
97.06504	13.3
97.10148	13.8
98.07274	3.9
105.03407	2.1
105.07012	40.4
107.04932	18.4
107.08559	21.9
109.06508	10.7
109.10144	15.4
111.04422	8.1
111.08089	14.8
113.06026	3.6
115.05470	2.2
116.04692	12.8
117.06992	3.9
119.08549	27.2
121.06493	3.9
121.10109	15.1
123.08061	4.5
123.11655	4.5
125.09606	13.6
128.06194	1.8
129.05470	29.1
129.06949	19.9
131.08533	20.2
133.06364	2.0
133.10088	16.5
135.11671	8.3
137.09566	2.0
142.07808	2.9
143.07010	4.6
145.10100	11.4
147.07982	3.4
147.11665	19.2
149.09572	14.6
153.12735	3.6
157.08592	10.3
157.10104	17.3
163.11166	13.8
165.12659	2.6
175.11134	21.1
181.12177	2.7
189.11125	7.3
193.12184	50.5
199.13297	11.2
209.11679	8.9
211.13232	59.9
227.12720	9.2
227.34938	2.1
229.14304	2.8
247.13239	2.2
250.68303	1.9
265.14429	1.9
267.15845	18.5
283.15259	13.2
285.16898	45.0
299.38159	1.9
301.16428	28.3
388.33017	2.0
397.50845	2.2
427.26657	3.2
439.26971	16.4
459.27448	2.1
469.46634	1.9
475.26703	2.5
493.27869	22.6
494.28802	3.0
511.29041	37.9
541.08478	2.2
541.16919	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	707.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01692	1.0
53.00295	2.5
53.03930	10.2
55.01859	9.4
55.05504	47.4
57.03429	22.8
57.07065	2.8
59.04975	2.0
60.49049	1.2
67.05492	77.2
67.05849	3.2
69.03416	21.1
69.07058	29.1
71.04974	7.7
71.08615	1.5
73.02879	1.1
79.05476	67.2
81.03402	100.0
81.07038	87.5
83.04962	28.4
83.08605	35.0
85.02891	23.7
85.06522	2.9
86.09681	2.5
91.05460	57.5
92.09103	2.7
93.07021	66.4
95.04945	38.8
95.08582	47.7
96.05906	1.2
97.02867	17.6
97.06522	10.1
97.10170	11.6
99.04449	3.2
101.41199	1.4
105.07010	42.8
107.04923	10.0
107.08570	36.8
109.02871	10.1
109.06504	8.4
109.10137	20.3
111.04400	9.6
111.08057	12.8
113.05962	1.9
115.05425	2.7
117.06992	11.6
119.08561	37.4
121.06497	2.7
121.10133	26.2
123.08055	5.6
123.11664	6.6
124.99999	2.4
125.09603	1.7
127.03851	1.6
128.06152	1.7
129.05479	1.6
129.06949	12.8
131.08546	25.6
133.06490	2.9
133.10115	21.2
135.11676	15.2
137.09586	2.1
142.07755	3.0
143.08490	5.2
143.31726	1.3
145.10117	14.5
147.08008	3.0
147.11679	19.4
149.09641	6.4
149.13228	6.4
149.82494	1.2
150.33411	1.5
151.11176	1.7
153.12724	2.1
157.10083	18.7
159.11676	8.8
161.13216	3.0
163.11163	5.7
163.14711	2.4
165.12788	1.9
171.11633	2.3
173.13191	5.8
175.11174	11.5
184.07332	7.3
185.13062	1.7
191.10738	2.0
193.12215	35.2
195.09589	1.6
197.13100	1.6
211.13226	42.5
227.12711	2.4
229.14354	2.0
249.14764	1.6
261.22021	3.4
267.15701	9.9
279.69553	1.6
285.16891	11.9
335.21915	2.3
335.25748	52.2
335.29694	2.2
369.24390	2.0
387.25403	1.6
429.21219	13.5
453.33176	1.6
460.47095	1.4
503.37228	27.5
527.36945	8.8
535.36200	9.1
545.38220	66.1
689.42609	22.3
707.43256	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	707.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	2.8
53.03934	7.8
55.01856	8.0
55.05500	45.4
57.03435	21.2
57.07071	14.9
60.08132	1.9
64.33774	1.7
67.05142	3.1
67.05490	64.9
69.03421	18.0
69.07054	27.5
71.04961	4.9
73.02916	2.3
76.47100	1.9
79.05470	54.1
81.02932	4.0
81.03395	100.0
81.06593	3.6
81.07034	60.3
83.04971	27.3
83.08594	36.0
85.02881	19.2
86.09692	8.2
87.04448	36.8
91.05459	53.4
93.06484	3.0
93.07024	56.5
95.04941	38.6
95.08578	34.9
97.02872	15.3
97.06490	9.9
97.10130	18.3
98.98446	2.0
99.04441	3.9
99.65898	1.9
105.07014	38.5
107.04935	7.8
107.08569	33.0
109.02875	7.3
109.06501	7.9
109.10147	18.1
110.08480	1.8
111.04408	12.2
111.08054	10.1
113.06007	3.9
117.06956	10.5
119.03014	1.8
119.08550	34.8
121.06490	7.3
121.10135	21.7
123.08070	3.1
123.11655	4.6
124.99979	4.5
127.03870	3.3
129.07018	18.1
131.08530	27.4
133.06505	3.3
133.10117	23.9
135.11671	11.1
137.09586	2.9
140.46901	2.1
143.08542	3.8
145.10112	20.0
147.08046	3.3
147.11668	22.4
149.09587	11.5
153.12682	2.5
157.10081	12.6
159.11685	3.9
161.13184	3.1
163.11176	3.5
165.12758	3.5
167.08386	2.5
175.11153	11.0
181.12163	3.0
184.07269	15.4
193.12195	34.7
211.13275	28.9
235.09888	2.2
261.21942	2.7
267.15842	10.6
270.73495	2.1
285.16916	12.6
327.23270	2.5
335.25748	20.7
351.23035	2.8
355.17804	3.0
369.24127	3.1
405.26364	2.2
429.20938	13.1
435.32449	2.7
463.97574	2.1
490.87140	3.0
503.37219	51.2
509.35983	2.3
527.37067	8.3
545.38281	58.5
557.80225	2.4
566.40588	2.7
653.39728	7.3
671.40869	8.3
689.42322	23.7
706.47089	3.5
707.46265	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	707.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.3
55.01856	4.3
55.05503	44.4
57.03424	32.6
61.02917	3.6
63.21425	1.7
67.05138	4.0
67.05492	87.4
69.03411	25.9
69.05163	2.0
69.07047	25.6
69.93913	1.8
70.23006	2.3
71.04993	3.7
73.89935	2.1
74.55335	1.7
78.44846	2.1
79.05476	71.4
81.03397	100.0
81.07041	90.8
83.04963	30.7
83.08601	29.2
85.02891	25.5
91.05466	46.1
92.09000	3.0
93.07022	75.9
93.07569	3.8
95.04948	33.4
95.08588	61.1
97.02876	19.3
97.06510	10.8
97.10162	8.2
105.07008	42.2
107.04942	10.1
107.08601	31.6
109.02874	10.2
109.06503	10.6
109.10145	18.8
111.04443	8.3
111.08083	10.3
117.05477	2.3
117.06987	12.6
119.08553	37.7
121.06443	2.7
121.10108	28.5
123.08035	3.6
123.11686	4.8
125.09621	3.3
127.03890	7.5
129.07010	13.6
131.08551	22.3
133.10114	18.4
135.07997	2.9
135.11690	12.9
143.08566	2.2
145.10126	14.5
147.08098	4.0
147.11703	16.2
149.09654	4.5
149.13217	2.8
155.08485	2.4
157.10123	12.9
159.11710	3.4
161.13258	8.3
165.12714	2.9
171.11696	2.6
173.13229	3.3
175.11183	13.4
176.23526	1.9
181.12228	2.5
193.12195	33.9
205.72623	2.2
211.13249	41.1
261.22003	3.8
267.15845	9.0
274.40839	2.2
283.06210	3.8
285.17035	10.3
301.07227	3.6
335.25665	51.9
335.29276	3.1
429.21179	12.1
435.32333	2.6
479.30087	2.3
527.37177	8.4
529.39160	2.3
530.39221	8.9
545.38245	68.6
671.41302	2.5
689.42462	25.1
707.41376	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	707.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.6
55.01866	6.0
55.05312	2.2
55.05504	37.0
57.03439	18.6
67.05496	72.6
69.03412	19.2
69.07072	25.0
71.04965	9.4
79.05479	65.8
81.03400	100.0
81.06597	3.7
81.07037	75.8
83.04961	30.0
83.08593	27.7
85.02892	21.5
91.05466	55.2
92.08975	17.6
92.63941	2.5
93.07027	64.3
95.04951	31.6
95.08579	56.8
97.02876	18.3
97.06487	9.9
97.10143	4.4
99.04448	2.6
105.07007	44.8
107.04914	13.8
107.08578	32.3
109.02837	5.3
109.06486	5.3
109.10152	23.6
109.92402	2.3
111.04418	9.9
111.08058	10.2
117.06996	15.4
119.08560	33.8
121.10128	22.5
123.04464	3.5
123.08038	3.3
123.11631	3.4
125.09634	2.6
125.71950	2.4
127.03860	2.6
129.06972	13.7
131.08533	20.8
133.06415	2.9
133.10106	20.3
135.11633	12.7
141.07097	3.0
142.07732	3.6
143.08531	5.0
145.10072	12.5
145.92087	2.9
147.07997	4.8
147.11641	25.0
149.09599	4.7
157.10123	21.1
159.11676	5.7
161.13228	4.2
163.11162	4.1
167.08594	3.1
175.11148	13.8
193.12201	32.1
211.13188	31.1
261.21918	4.1
267.15756	13.9
282.06378	3.4
285.16879	14.6
335.25781	37.3
336.50018	3.5
429.21036	15.3
445.65659	2.5
527.37036	11.4
530.39001	5.9
545.38336	45.2
653.40143	3.3
671.41077	4.3
689.42084	15.7
707.41376	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	707.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	5.1
57.07053	2.4
60.08145	2.6
67.05477	2.5
69.07041	5.1
70.47156	1.0
71.07325	1.7
79.05476	2.4
81.03380	1.3
81.07040	5.0
83.08585	2.4
86.09693	31.5
87.04445	5.2
87.10045	1.4
91.05441	1.9
92.08746	4.5
92.09334	2.2
93.07013	2.7
95.08586	1.4
97.10133	1.4
98.98443	1.9
105.06998	1.8
124.99971	21.3
184.07301	67.2
185.07608	5.4
264.68607	1.3
297.25607	1.2
402.63141	1.1
519.36859	9.2
521.24921	1.2
535.39844	1.8
706.45966	4.7
707.37347	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	707.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
53.92741	0.9
53.97286	0.8
55.01853	1.5
55.05511	10.8
57.03423	2.4
57.07077	1.4
60.08158	1.7
61.02915	7.2
62.60662	1.2
67.05493	9.2
69.03403	2.2
69.07056	8.1
73.02903	2.7
76.55715	1.2
78.02781	1.2
79.05476	7.1
81.03396	13.5
81.07024	8.4
83.04945	1.2
83.08605	6.9
85.02905	6.3
86.09684	8.8
87.21573	1.1
91.05466	7.3
93.07021	9.3
95.04945	2.3
95.08588	6.1
97.02887	7.4
97.10155	5.9
101.47512	1.2
105.07013	6.0
107.04884	1.4
107.08601	5.7
108.11712	1.2
109.10142	2.3
118.08038	1.2
119.08563	5.1
120.06048	1.2
121.10110	2.8
124.99995	5.8
125.09649	1.3
127.14523	1.2
133.10107	4.7
163.32716	1.3
167.59088	1.4
175.11153	1.2
184.07312	18.7
184.08772	1.5
211.09467	1.5
218.59979	1.2
226.26913	1.2
236.15233	1.6
362.73087	1.3
429.17285	4.8
503.37408	18.5
519.29242	7.7
535.36328	2.8
573.47076	1.3
707.39648	100.0
708.39661	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80354	0.2
53.13508	0.2
55.05505	0.2
56.05021	0.3
57.07068	0.4
58.06584	0.3
58.10338	0.2
60.07862	0.4
60.08151	8.7
67.05492	0.8
71.07363	3.9
79.05490	0.3
81.03362	0.2
81.07027	0.4
83.08601	0.2
86.09691	47.7
87.04439	1.0
87.10026	0.9
91.05490	0.2
92.08701	0.5
92.09241	0.5
92.86330	0.3
93.07018	0.4
95.04955	0.4
95.08582	0.4
95.37863	0.2
98.98440	3.8
104.10730	3.0
105.07018	0.4
119.08526	0.2
121.10173	0.4
124.99979	32.0
143.01068	0.9
184.07307	100.0
185.07637	1.6
406.15506	0.3
476.21902	0.4
557.10425	0.3
608.25543	0.3
609.26569	1.9
705.44373	0.4
706.46411	14.6
707.47784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	0.2
56.05004	0.3
58.06555	0.2
60.08150	8.3
67.05453	0.2
71.06998	0.2
71.07349	3.4
85.59783	0.3
86.09690	40.0
87.09966	0.3
91.88383	0.2
92.08891	1.6
98.98441	4.3
104.10729	3.1
120.70998	0.2
124.99981	30.0
126.30505	0.2
141.68463	0.2
143.01050	0.3
184.07306	100.0
185.07576	0.4
218.42595	0.2
388.29764	0.3
474.83670	0.2
706.46411	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	706.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.8
55.05505	24.9
57.03426	18.4
57.07054	2.1
59.28275	1.0
61.02917	1.7
67.05489	35.0
69.03414	5.9
69.07055	8.4
71.04968	6.5
73.02908	2.3
79.05477	32.5
81.03404	100.0
81.07037	33.9
83.04990	9.7
83.08599	26.9
85.02876	7.3
85.06533	1.8
86.09673	4.5
91.05470	32.5
92.08733	4.8
92.09275	2.7
93.00270	1.6
93.07029	26.5
95.04943	42.0
95.08604	13.7
97.02872	7.7
97.06515	6.3
97.10159	17.5
97.51955	1.4
105.03373	2.4
105.07019	22.7
107.04936	19.7
107.08591	14.7
109.06480	12.3
109.10148	6.2
111.04419	10.1
111.08067	11.3
115.05412	2.6
117.07015	7.6
119.04922	1.7
119.08573	19.6
121.06506	12.0
121.10143	15.5
123.04395	2.3
123.08073	5.4
124.99969	1.4
125.09590	11.9
128.06265	1.3
129.06956	14.7
131.08540	14.8
133.06500	6.8
133.10118	10.2
135.08054	8.0
135.11716	6.3
137.05975	5.7
141.06987	2.4
142.07765	2.0
143.08559	2.8
145.06468	7.1
145.10110	7.0
147.04411	2.9
147.08069	7.5
147.11659	10.0
149.09598	7.5
153.09122	2.1
153.12688	2.9
157.10123	14.0
159.08064	2.0
159.11685	2.1
161.09558	2.2
161.13277	1.4
163.11168	8.5
171.11806	1.5
173.09679	2.8
173.13254	1.5
175.11162	10.6
181.12177	3.2
183.07858	1.5
184.07285	10.2
187.14854	1.5
189.11201	5.9
189.12750	2.9
191.10674	2.3
193.12221	30.3
203.14392	1.5
209.11734	1.6
215.14418	1.5
227.12660	4.7
231.13896	2.0
235.13319	1.8
267.15857	68.3
267.18634	2.9
269.17444	2.8
273.14886	3.2
283.15427	1.6
303.54657	1.6
309.18591	5.3
339.23331	2.9
349.21442	2.6
357.24319	1.9
365.24753	6.9
367.22574	9.3
374.60303	1.5
385.23813	13.1
403.24783	5.0
441.26617	5.3
459.27332	76.3
477.28406	46.8
491.30139	6.2
501.28497	1.8
509.31027	19.0
525.29993	1.4
567.28973	5.1
586.49512	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39665	0.3
52.59588	0.3
53.00307	4.1
53.03933	2.9
54.22782	0.4
55.01860	5.9
55.05502	28.3
55.18881	0.3
57.03427	21.3
59.04988	4.1
61.02916	5.8
61.42935	0.4
65.03912	0.6
67.05488	27.8
69.03404	5.8
69.07049	8.9
71.01333	1.6
71.04971	4.2
73.02898	3.5
79.05470	26.6
81.03394	58.5
81.07032	38.8
81.12115	0.4
81.19087	0.5
83.04958	18.3
83.08599	30.2
85.02882	29.0
85.06519	3.1
85.25562	0.4
87.04437	0.7
87.44369	0.5
91.03937	2.4
91.05453	45.8
92.09100	2.3
93.07016	27.9
95.04940	26.9
95.08576	14.5
97.02864	10.7
97.06505	6.2
97.10133	4.7
99.00790	23.6
99.04438	2.2
99.08073	1.0
103.05450	1.0
105.03381	2.0
105.07004	36.4
107.04934	12.2
107.08564	14.0
109.02860	12.2
109.06499	8.0
109.10136	7.4
111.04418	3.8
111.08048	11.1
113.05981	3.1
115.03912	3.8
115.05395	1.8
117.06996	4.9
119.04926	0.9
119.08547	27.5
119.09379	1.0
121.06480	9.3
121.10115	9.4
123.04382	4.0
123.08057	4.3
123.11681	4.0
125.06010	0.8
125.09623	1.8
127.03879	4.2
127.07525	0.8
128.06210	1.9
129.06969	11.8
131.08531	12.8
131.09442	0.8
133.06483	4.6
133.10095	46.9
135.08029	2.2
135.11699	2.1
137.05981	2.5
137.09584	3.7
139.07529	4.4
139.08543	0.5
139.09685	0.5
142.07712	3.7
143.08530	5.5
145.06520	0.8
145.10129	1.8
147.04375	0.9
147.08035	4.6
147.11647	13.3
149.09587	5.7
151.11148	14.0
157.10086	14.1
157.11349	0.6
161.09572	22.5
163.11127	1.6
165.09102	0.7
165.12749	2.6
171.08009	4.4
175.11125	13.6
179.10625	13.1
179.12119	0.8
189.09047	9.9
193.12198	32.8
194.12477	0.5
197.11697	3.1
198.03368	0.5
207.10172	2.8
211.13231	35.0
219.13728	0.4
225.11189	7.8
243.12212	1.0
267.15805	10.7
281.13779	2.7
285.16885	30.8
299.14813	56.5
445.26071	1.9
447.31015	0.5
463.27142	0.7
473.25192	2.8
491.26337	15.7
491.33542	0.9
509.27356	100.0
510.27731	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67987	0.9
53.00282	1.3
53.03923	5.6
53.98255	0.9
55.01863	32.3
55.05502	56.0
57.03426	45.2
57.07055	3.7
59.04987	7.5
61.02918	14.2
65.03910	2.1
67.05489	64.8
69.03413	12.1
69.07050	19.1
70.75945	0.8
71.01319	4.9
71.04964	8.7
73.02892	9.7
79.05473	72.1
80.05800	1.1
81.03397	62.9
81.07037	59.0
82.04166	5.5
83.01320	16.1
83.04964	41.0
83.08112	1.3
83.08601	35.2
84.02093	1.6
85.02888	19.3
85.06525	2.2
86.09676	5.1
87.04427	1.3
91.03912	4.0
91.05457	55.8
92.05774	1.3
92.08703	2.1
92.09252	2.1
93.07021	69.3
95.04947	39.4
95.05507	0.9
95.08585	27.3
97.02863	16.6
97.06503	14.1
97.10145	22.7
98.07285	5.8
99.04415	5.0
99.08070	1.1
101.06020	1.7
103.05457	1.7
105.03360	5.2
105.07006	40.4
107.04942	20.2
107.07863	1.5
107.08572	34.7
109.02805	1.9
109.06497	16.5
109.10139	17.0
111.04426	7.4
111.08038	9.1
113.05964	1.3
116.04675	14.8
117.06991	15.1
119.08558	26.7
121.06482	9.7
121.10117	17.5
123.04333	1.1
123.08046	24.2
123.11677	4.9
124.99941	2.2
125.05954	2.1
125.09600	19.6
127.03896	1.4
128.06229	0.9
129.05453	42.7
129.06921	13.0
130.07782	2.2
131.08546	13.8
133.06451	1.6
133.10112	15.6
134.09467	1.0
135.07986	6.4
135.11664	23.2
136.08734	1.2
137.05916	1.2
137.09566	6.4
139.07497	1.7
143.06978	9.9
143.08530	5.1
144.70889	1.2
145.06444	1.2
145.10100	29.5
147.04364	1.9
147.07999	9.0
147.11690	14.4
149.09595	5.9
151.11159	1.8
153.09059	1.1
153.12701	5.4
155.08490	3.8
157.08568	18.0
157.10083	6.1
158.05736	1.2
159.11620	1.1
161.09621	2.3
161.13210	1.1
163.11147	39.7
164.11804	1.0
171.06491	3.6
171.10101	7.1
171.11597	4.3
173.09634	7.4
173.11641	1.2
173.26445	0.9
175.11113	6.4
177.05434	0.9
181.12187	6.9
184.07304	11.1
185.13240	1.1
189.08987	1.2
189.11133	8.7
189.12712	2.0
190.09921	1.2
191.10594	4.7
193.12143	13.4
199.13245	8.2
200.13997	1.9
209.11684	13.4
210.12396	1.0
211.13232	2.1
223.13229	1.5
224.13557	1.8
227.12735	18.6
229.14305	4.4
249.14622	1.2
255.15733	1.7
265.14444	1.0
267.15860	25.3
281.17368	6.2
283.15335	94.0
284.16006	1.9
285.16769	2.3
297.16867	1.1
298.16882	1.1
299.14758	1.3
301.16406	59.4
337.16342	5.2
407.24051	1.4
408.41113	1.1
425.24982	1.8
437.25443	7.9
457.25363	2.2
473.28909	25.8
474.26077	1.2
475.26910	10.9
477.28403	1.9
491.25891	8.0
492.27185	6.8
493.27588	1.4
508.29712	4.0
509.27338	100.0
510.27924	1.5
527.28320	1.5
541.62512	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.3
52.61081	0.2
53.03938	3.0
55.01859	0.5
55.05487	0.3
57.03435	0.3
61.02916	0.4
65.10444	0.3
67.05483	1.0
69.03417	4.3
69.07046	0.4
71.04974	1.0
72.44767	0.2
77.03915	0.4
78.04696	1.5
79.05061	0.4
79.05478	6.6
81.03403	9.5
81.07038	1.6
82.63649	0.3
83.04947	0.4
85.02888	4.8
85.06519	0.3
91.05475	2.3
93.07022	1.5
95.04950	6.4
95.08591	1.3
97.02872	4.6
99.04419	1.2
103.05453	4.5
105.03373	57.0
105.04529	1.5
105.07017	6.5
105.07671	0.5
106.04173	1.3
107.04939	8.1
107.08557	1.1
108.04464	1.3
109.02864	4.8
109.06496	1.0
109.10110	0.4
111.04424	1.1
111.08007	0.3
115.05432	1.3
117.06992	1.3
119.04904	0.6
119.08564	0.6
121.06466	2.7
121.10138	0.5
123.04403	9.6
123.08025	1.1
124.05180	2.6
125.05980	1.0
127.03893	2.5
128.05963	0.3
129.06989	1.6
131.04918	6.4
131.08536	1.1
132.05753	0.3
133.06465	5.8
133.10097	0.3
135.04425	0.4
135.08037	1.9
137.05948	3.4
141.06978	1.0
143.04976	0.4
143.08527	0.5
144.05659	1.1
145.02823	0.3
145.04933	0.4
145.06477	2.8
145.10089	0.5
147.04384	2.0
147.07996	0.5
147.11716	0.4
149.05934	1.2
151.03860	1.3
151.07516	3.4
152.04651	1.6
153.05521	0.9
156.05783	0.3
157.06363	0.4
158.07224	1.2
159.04474	0.3
159.08034	1.9
160.05183	0.3
161.05948	6.9
161.09723	0.3
163.03880	0.5
163.06256	0.4
163.07521	9.7
167.07002	100.0
168.07587	1.1
173.05936	2.3
173.09575	1.7
175.07455	2.1
177.05478	0.5
177.09081	1.7
179.06985	2.9
181.08559	5.3
187.07506	2.9
189.09071	0.6
192.07703	0.6
193.08566	13.1
195.10107	0.3
199.07460	0.5
201.09088	2.0
203.07007	0.4
205.08563	2.1
207.10181	0.5
211.09665	0.4
217.08530	1.1
219.10158	3.4
231.08118	0.4
231.10124	0.4
233.11766	2.2
237.09119	0.3
237.11169	1.9
249.07425	3.9
249.11223	1.4
251.12650	1.3
263.10696	0.4
267.08597	5.0
291.10083	1.1
295.13388	0.4
297.04749	0.3
323.12714	1.2
355.15341	6.2
372.28311	0.3
380.67282	0.4
387.17953	8.1
405.19000	25.0
406.18936	0.3
415.17471	0.4
423.19922	1.2
429.19366	0.4
430.50259	0.3
455.31561	0.3
519.33954	0.3
531.21832	0.4
615.77991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.7
53.03940	6.1
54.81408	0.6
55.01859	4.6
55.05497	0.8
56.80887	0.6
56.90311	0.6
57.03428	0.9
65.03921	5.3
67.05490	1.5
69.03423	6.8
69.07043	1.2
69.12297	0.7
71.04996	0.8
73.02899	17.7
79.05476	8.3
81.03391	18.3
81.07028	3.1
85.02902	11.3
91.05464	14.5
93.03381	2.8
93.07024	4.0
95.04937	11.5
97.02876	9.1
97.06478	1.4
98.06033	0.7
99.04433	1.8
102.04685	1.0
103.03941	1.4
103.05468	7.6
105.03371	100.0
105.04512	2.7
105.07011	9.6
106.03690	1.5
107.04937	4.5
107.08569	1.2
109.02887	8.9
109.06516	3.8
109.10101	1.3
110.03635	5.0
111.04426	12.1
111.08066	0.7
115.05418	1.7
119.04918	22.6
119.08557	1.4
121.06479	4.0
121.10196	0.9
122.03630	1.2
123.04408	15.5
123.08060	1.2
124.05196	0.8
125.05959	11.1
127.03889	5.8
130.04132	5.3
131.04926	10.4
131.08568	1.4
133.02831	6.9
133.05595	1.0
133.06444	8.1
133.10107	1.4
135.04408	1.0
137.02400	1.3
137.05963	27.8
139.07542	4.1
140.04662	15.2
141.05461	1.2
141.06941	0.8
144.05701	0.9
145.04906	0.9
145.06465	1.1
147.04387	29.6
149.05959	11.5
150.06740	3.0
151.03931	2.8
151.07535	10.1
152.04698	1.4
152.08179	1.4
153.05452	48.6
155.07018	21.0
161.05931	14.8
162.06743	18.1
163.03900	1.0
163.07506	5.7
164.04591	1.0
165.05412	6.6
167.07005	46.1
169.06410	1.4
171.06519	1.1
173.08133	1.5
175.07518	1.1
177.05495	3.0
179.07010	11.6
181.04922	30.4
181.08543	2.8
187.07585	1.5
191.07008	3.7
193.04901	2.8
195.06598	5.3
197.05948	3.1
197.08087	4.0
201.08977	1.0
203.06996	5.6
205.08479	0.8
207.06532	3.5
209.08066	11.0
210.05151	6.0
211.07574	1.6
211.78604	0.8
225.07532	48.5
227.09093	30.3
227.11272	1.6
229.08521	4.0
233.08011	1.5
241.08533	1.4
249.07565	11.5
249.11119	9.0
250.11597	4.7
251.11623	1.1
257.08008	6.6
258.08664	0.8
267.08545	6.3
275.08896	1.1
325.10419	6.3
329.09967	6.3
345.13104	1.4
355.11710	8.3
375.09406	1.4
375.14273	38.5
387.14282	4.8
397.12686	3.1
405.15390	0.9
469.92584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.6
55.01855	1.2
55.05494	3.2
57.03412	1.3
58.94313	0.6
67.05479	4.6
68.40716	0.6
69.03406	10.2
69.07044	3.2
71.04975	0.9
74.04382	0.6
77.03915	0.7
77.98454	0.7
78.04701	1.7
79.05475	8.4
79.08050	0.6
81.03393	14.1
81.07034	7.8
83.04957	2.6
83.08589	0.9
85.02885	8.1
85.06532	0.8
91.05464	10.9
92.08997	2.6
93.07012	6.3
95.04937	10.7
95.08595	5.8
97.02895	8.4
97.06506	1.5
97.10152	1.2
99.04437	3.0
103.05428	5.5
105.03371	77.9
105.07015	10.7
106.04179	0.8
107.04926	8.0
107.08569	4.9
108.04480	1.6
109.02853	8.7
109.06511	3.5
109.10124	5.6
111.04403	1.7
111.08049	1.0
115.05475	1.0
117.03365	3.1
117.06992	1.6
119.04945	1.4
119.08543	4.8
121.06462	4.6
121.10126	4.9
122.03689	0.7
123.04400	13.6
123.08060	1.5
123.11683	1.0
124.05165	3.4
125.05982	3.4
125.09618	3.5
127.03861	4.9
127.07547	0.6
129.06984	1.7
131.04915	10.0
131.08537	1.7
133.06465	7.8
133.10083	3.2
135.04416	1.3
135.08008	4.1
135.11647	1.1
137.05968	13.3
137.09480	0.8
141.06924	0.8
145.02788	5.1
145.06471	4.4
145.10066	2.8
146.03140	1.0
147.04337	5.0
147.11667	1.5
148.05057	1.0
149.05951	1.2
149.09509	1.1
151.03868	5.9
151.07541	3.5
152.04662	1.6
153.05455	1.1
157.10179	1.4
159.07986	1.4
159.11635	1.0
160.63319	1.0
161.05942	8.6
161.09560	1.4
161.13185	0.8
163.07491	11.3
165.05455	1.0
165.09099	1.1
167.06995	100.0
168.07358	0.8
173.05911	1.5
173.09537	1.4
175.07477	2.9
177.05424	11.2
177.09006	1.0
178.05788	5.4
179.07025	3.3
181.04939	4.4
181.08563	7.1
187.07509	3.6
189.09071	1.4
191.07011	5.3
193.08530	14.9
201.09114	3.2
205.08571	2.8
207.10204	0.8
210.07556	0.7
217.08592	0.8
219.10178	4.0
231.09941	0.8
233.11745	1.6
237.11182	1.3
239.55223	0.8
249.07544	7.1
249.11252	1.4
251.12619	0.7
264.89352	0.9
267.08499	5.3
323.12613	1.4
355.15179	7.4
387.18161	7.7
390.93106	0.7
398.01193	0.7
405.18991	25.5
411.29059	0.7
423.20044	1.0
465.19553	0.9
473.32135	1.3
531.21875	0.8
554.32556	0.8
567.90039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.4
57.07085	0.3
58.06595	0.3
58.64969	0.2
59.12234	0.2
60.08154	10.3
60.22826	0.2
63.35324	0.2
71.07352	4.3
81.06981	0.2
86.09690	46.8
90.16280	0.2
92.08771	1.5
92.09396	0.4
92.29219	0.2
93.07045	0.3
95.05002	0.2
98.98447	3.8
104.10730	3.3
124.99978	34.7
128.15854	0.2
140.95634	0.2
143.01050	0.4
167.32692	0.2
184.07306	100.0
202.27985	0.2
448.20773	0.3
584.60510	0.3
654.74780	0.3
704.44867	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	704.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81575	0.1
55.05495	0.2
56.05032	0.5
57.07069	0.3
58.06584	0.3
60.08151	9.4
64.33419	0.1
67.05489	0.6
69.07047	0.2
70.00516	0.1
71.07355	4.7
71.08589	0.2
78.61227	0.1
79.05467	0.3
81.03421	0.1
81.07029	0.7
83.08608	0.2
86.09687	50.6
91.05468	0.2
92.08860	0.4
92.09344	0.2
93.07011	0.3
94.64250	0.1
95.08582	0.6
98.98438	4.4
98.99047	0.3
104.10725	4.2
105.07012	0.3
107.08580	0.3
109.10115	0.3
119.08538	0.2
121.10104	0.2
124.99976	34.2
135.11711	0.2
143.01047	0.4
145.10179	0.2
184.07301	100.0
185.07700	0.3
490.07037	0.2
704.44800	19.1
705.44275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.00300	0.3
53.03940	4.0
54.81465	0.2
55.01870	1.7
55.05236	0.2
55.05505	4.4
55.82514	0.2
57.03429	3.1
57.07085	0.2
58.13508	0.2
59.04986	1.0
61.02913	1.6
65.03933	0.1
67.05489	2.9
69.03412	6.2
69.07046	1.1
70.26031	0.1
71.01321	0.3
71.04981	1.7
73.02899	0.4
77.03912	0.8
79.05476	9.2
81.03400	15.1
81.07032	5.3
83.01311	1.6
83.04955	1.9
83.08609	3.3
85.02890	7.7
85.06538	1.1
87.04433	0.3
91.03918	0.2
91.05455	5.4
92.08737	0.8
93.06480	0.3
93.07028	5.9
95.04946	7.0
95.08581	2.2
97.02868	10.2
97.06514	1.2
97.10141	0.3
99.00789	3.1
99.04420	2.1
101.02364	0.2
105.03374	100.0
105.07001	4.3
106.03693	1.7
107.04944	2.3
107.08563	3.0
108.04404	0.2
109.02861	10.6
109.06499	1.5
109.10149	1.9
111.04431	0.7
111.08081	0.4
115.03956	0.2
117.06985	1.9
118.43626	0.2
119.08571	2.9
121.02829	0.2
121.06513	1.8
121.10097	1.3
123.04406	7.6
123.08018	1.6
123.11667	0.7
125.05980	0.2
125.09598	0.2
127.03892	5.0
127.64096	0.2
129.07018	0.3
130.07768	0.3
131.08539	1.0
133.06459	0.3
133.10104	5.2
135.08034	0.7
135.11684	2.6
137.05946	0.4
137.09613	0.7
139.07523	0.9
143.08498	1.3
145.02814	0.2
145.04970	1.4
145.10097	2.4
147.04388	0.2
147.08002	0.8
151.11150	1.9
153.12720	0.3
157.10078	0.2
161.09610	2.7
163.07607	0.2
163.11163	3.2
165.05496	0.2
165.09113	0.2
171.08095	0.7
173.09596	0.4
177.09161	0.2
179.10622	2.1
181.12189	0.3
189.09003	1.3
191.10599	0.4
197.11707	0.3
207.10182	0.3
209.11572	0.4
225.11186	1.2
227.20741	0.2
231.06502	3.2
249.07513	12.0
250.07961	0.3
267.08575	11.7
281.13834	0.9
283.15335	11.5
283.20105	0.2
299.14841	11.2
479.12576	0.2
507.25806	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	704.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.9
53.03933	7.1
55.01867	10.6
55.05506	53.9
57.03429	34.2
59.04974	1.4
61.02926	12.1
65.03924	2.6
67.05489	71.3
67.05847	2.5
69.03410	16.4
69.07058	20.8
71.04979	10.5
71.22157	1.4
73.02898	3.2
79.05476	65.3
80.73243	1.4
81.03397	100.0
81.07036	77.2
81.74210	1.5
83.04964	32.7
83.08603	40.4
85.02887	41.0
85.06540	3.6
86.09686	3.1
87.15253	1.5
91.05461	73.6
92.09013	12.9
93.07025	59.0
95.04948	58.4
95.08584	34.7
97.02860	13.4
97.06497	11.1
97.10136	20.0
99.04415	3.8
99.08085	3.0
100.53207	1.7
103.05409	1.6
105.03380	9.9
105.07015	44.9
107.04939	30.2
107.08569	32.7
109.02879	6.4
109.06493	12.0
109.10142	26.3
111.04424	2.5
111.08064	15.7
115.05410	3.4
117.07001	17.1
119.08557	33.6
121.06482	11.3
121.10119	21.0
123.04402	1.9
123.08050	7.1
124.99985	1.6
125.09603	16.3
129.06955	15.8
131.08536	33.2
133.06450	3.5
133.10106	25.0
135.08022	6.3
135.11668	6.6
136.40714	1.5
137.06020	2.2
137.09589	3.1
142.07762	2.9
143.08511	5.5
145.06488	2.2
145.10120	9.8
147.04327	2.8
147.08038	4.0
147.11671	20.6
149.09552	5.7
149.13266	2.5
154.07704	1.9
157.10129	20.1
159.11665	8.0
161.09641	3.0
163.11124	2.8
165.12785	2.8
169.10118	3.2
171.11601	1.7
173.09428	1.6
173.11696	1.9
173.13148	2.1
175.11130	15.0
177.12720	2.6
184.07307	6.3
187.11171	2.1
189.11177	7.1
193.12195	40.8
205.12216	7.1
211.13263	37.2
223.13254	66.4
227.12737	7.6
229.14293	12.2
263.96512	1.6
267.15952	15.1
279.15826	3.2
285.16907	36.5
297.16901	63.7
297.20108	3.2
396.39362	1.8
421.25851	2.9
439.26727	9.1
489.28305	29.3
490.28445	1.8
507.29459	82.3
525.30054	2.1
720.36530	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.2
53.03946	2.0
55.01854	0.6
55.05503	0.2
57.03425	0.4
59.98847	0.1
61.02893	0.1
66.04723	0.1
67.05489	0.8
69.03415	3.7
69.07043	0.2
71.04967	0.7
73.02871	0.1
77.03887	0.2
79.05477	3.1
81.03400	7.6
81.07069	0.2
83.04958	0.2
85.02888	3.6
91.05457	1.7
92.08791	0.5
92.09280	0.2
93.07014	0.3
95.04949	4.2
95.08634	0.2
95.47159	0.1
97.02868	4.1
97.10089	0.2
98.06026	0.1
99.04459	0.6
105.03375	49.6
105.07022	0.7
106.03696	0.6
107.04929	1.5
107.08557	0.2
108.04473	1.2
109.02862	2.9
109.10175	0.2
111.04405	1.1
111.08075	0.2
111.36099	0.1
113.68508	0.2
114.37230	0.2
115.03915	0.3
115.05423	1.1
116.06218	0.6
117.06979	1.7
121.06509	0.7
123.04407	4.1
123.11636	0.2
123.16084	0.2
126.05553	0.2
127.03891	2.0
127.05380	0.1
128.06203	2.5
129.06979	6.9
130.07753	0.3
131.04893	0.3
131.08545	8.2
132.05707	0.3
133.04929	0.2
133.06474	1.4
133.10117	0.9
141.06949	3.3
142.07744	0.7
143.04933	0.2
143.06050	0.2
143.08559	2.6
144.05687	3.5
145.02864	0.2
145.06473	2.8
145.10146	0.4
146.07230	1.3
147.04449	0.5
147.07993	0.6
153.06964	1.0
155.05975	0.3
156.05717	0.3
157.06448	3.9
158.07208	1.2
159.08023	13.7
160.05209	0.2
160.08426	0.3
161.05977	0.9
161.09576	4.0
167.06999	2.4
169.06438	0.8
169.07683	1.3
170.07236	2.6
171.08002	2.9
172.05141	1.3
173.05919	2.2
173.09633	1.4
174.06711	0.8
175.07503	1.0
177.05437	0.8
178.06158	0.3
181.08562	0.9
185.05983	0.4
186.06709	0.2
187.07504	10.7
188.08261	0.3
189.05440	0.7
189.09070	4.8
190.06200	0.7
191.07056	0.6
192.07823	0.7
193.08586	0.7
198.06786	1.0
199.07520	1.5
201.05411	0.4
201.09097	1.5
203.07060	2.1
204.07771	6.4
205.08543	1.4
206.09352	1.0
207.10167	0.3
216.07813	2.0
217.08583	0.9
218.09325	1.4
219.10103	3.4
221.08049	0.3
221.11668	2.5
231.10101	4.0
233.11687	6.0
234.08850	0.9
237.07620	0.2
237.11130	0.8
249.11165	100.0
250.11430	1.9
251.12712	3.2
263.09003	0.2
265.06989	0.2
267.08575	2.4
267.12207	4.2
283.08063	0.9
385.16391	0.2
401.15671	0.2
483.68271	0.2
515.19470	1.3
599.91809	0.2
717.37006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94148	0.1
53.03941	1.7
55.01860	0.8
55.05502	0.4
56.81376	0.1
57.03423	1.1
58.10820	0.1
60.08156	0.2
61.02917	0.3
63.67860	0.1
67.05486	0.8
69.03066	0.2
69.03416	4.2
69.07049	0.7
71.04964	0.3
73.02875	0.4
77.03935	0.3
79.05473	4.1
81.03399	5.6
81.07030	1.3
83.04968	0.4
85.02892	4.3
89.03886	0.3
89.30430	0.1
91.05458	2.3
92.08738	0.4
92.09272	0.3
93.07024	1.2
95.04945	4.1
95.08587	1.0
97.02866	5.1
97.06541	0.3
97.10168	0.3
99.04428	1.2
99.08041	0.2
103.05459	0.7
105.03371	44.2
105.07011	2.0
107.04944	3.1
107.08588	0.9
109.02862	2.7
109.06502	0.4
109.10155	0.7
111.04422	0.4
115.03909	1.1
115.05437	1.1
116.06203	0.4
117.03359	2.1
117.06971	1.9
119.08560	0.4
121.06480	1.4
121.10117	0.8
123.04402	4.6
123.08014	0.2
125.02310	0.4
125.05952	0.3
125.09605	0.3
127.03883	1.8
128.06171	2.3
129.06978	7.4
130.07791	0.4
131.04926	0.4
131.08542	8.8
132.05704	0.4
133.04929	0.4
133.06488	1.6
133.10129	1.2
135.04352	0.2
135.08070	0.3
137.05972	0.7
137.09589	0.3
139.03954	0.2
139.11075	0.2
141.06981	3.5
142.07765	0.3
143.08545	3.0
144.05690	3.2
145.02834	9.4
145.06461	4.0
145.10123	1.4
146.07201	1.4
147.04393	1.2
147.08023	0.4
147.11673	0.3
149.05945	0.9
153.06978	1.1
155.05981	0.5
155.08572	0.3
156.05630	0.7
157.06461	4.0
158.07224	2.4
159.08022	16.6
161.04597	0.3
161.05890	1.5
161.09569	4.7
163.03897	0.2
163.07498	0.2
163.11086	0.3
165.09038	0.3
167.07013	4.0
169.06406	1.0
169.07625	1.5
170.07202	2.9
171.08008	3.2
172.05208	1.3
172.08820	0.2
173.05937	2.4
173.09589	2.2
174.06741	1.2
175.07535	2.1
177.05431	17.7
178.06084	0.9
181.06450	0.2
181.08612	1.4
184.05116	0.2
185.05902	0.2
186.06709	0.7
187.07506	12.1
188.08403	0.8
189.05399	0.7
189.09062	6.6
190.06276	0.7
191.07050	1.1
191.10629	0.2
192.07761	1.0
193.08513	0.7
198.06700	0.7
199.07458	1.4
201.05400	0.4
201.09079	3.1
203.07028	2.3
204.07779	7.1
205.08530	1.6
206.09294	1.1
207.10138	0.8
216.07767	2.4
217.08578	1.0
218.09306	1.1
219.06516	0.2
219.10106	6.2
221.08128	0.3
221.11717	2.8
231.10132	3.6
233.11667	8.3
234.08682	0.3
237.07390	0.3
237.11174	0.7
249.11163	100.0
250.11545	0.9
251.12708	7.4
265.06891	0.3
267.08646	2.1
267.12225	4.4
283.08044	3.5
381.11633	1.3
385.16360	0.3
515.19220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.7
55.01861	0.4
55.05509	0.6
57.03430	0.8
63.72023	0.3
67.01842	0.5
67.05483	0.8
69.03413	6.0
69.07056	0.6
69.47655	0.3
71.04975	1.3
79.05481	4.3
81.03395	13.8
81.07044	1.8
83.04964	0.6
83.08574	0.4
85.02890	5.4
89.03882	1.8
91.05457	2.8
91.06000	0.3
92.08862	0.4
93.07037	1.9
95.04943	5.6
95.08587	1.5
97.02875	9.6
97.06474	0.4
98.06033	0.4
99.04449	2.1
103.05447	0.4
105.03373	68.4
105.06999	2.2
107.04933	2.2
107.08579	1.3
108.04457	2.8
109.02859	11.1
109.06465	0.5
109.10107	0.6
111.04452	0.7
115.05431	2.3
116.06233	0.4
117.03353	10.2
117.06999	2.1
119.04921	1.3
119.08549	0.8
121.06487	0.8
121.10134	0.5
123.04407	6.2
125.09612	0.6
126.05460	0.4
127.03908	7.2
127.05369	0.3
128.06200	3.8
129.06987	9.0
130.07721	0.3
131.04912	0.5
131.08534	10.2
132.05704	0.6
133.06427	1.4
133.10100	2.2
134.03598	0.5
135.04391	0.4
135.08060	0.4
135.11734	0.4
141.06990	3.7
142.07729	0.7
143.08580	3.1
144.05638	3.7
145.02824	33.5
145.06454	4.2
145.10100	0.7
146.07260	0.7
147.04391	5.5
147.08067	0.5
148.04779	0.5
149.05969	4.0
153.07010	1.2
157.06448	5.0
158.07254	1.8
159.04280	0.4
159.08009	19.3
160.05220	0.4
161.05980	0.8
161.09593	4.6
163.03867	0.5
167.06975	4.0
169.04926	2.4
169.06387	1.2
169.07651	1.4
170.07249	4.3
171.08012	4.2
172.05191	1.6
173.05995	2.9
173.09557	1.5
174.06673	1.7
175.07538	2.1
177.05434	52.5
178.05983	0.4
181.08598	1.2
183.61064	0.4
184.07381	0.4
185.05829	0.4
186.06799	0.5
187.07509	12.3
189.05382	1.5
189.09093	6.4
191.07048	1.3
192.07791	0.4
193.08592	0.6
198.06735	0.8
199.07527	2.1
201.05458	0.4
201.09074	1.6
203.07068	2.6
204.07784	7.7
205.08589	2.1
206.09325	1.4
206.19135	0.3
207.10191	0.4
216.07803	2.1
216.36597	0.4
217.08482	0.7
218.09302	1.3
219.10167	3.4
221.11620	2.5
231.10085	4.7
233.11667	4.9
237.11189	0.7
249.07549	4.5
249.11160	100.0
250.11449	0.7
251.12700	1.5
266.10306	0.5
267.08524	3.9
267.12250	2.3
283.08139	0.5
285.07874	0.4
303.08484	5.4
345.09543	0.6
381.11807	2.7
423.12601	1.5
515.19116	0.5
591.77643	0.4
631.26953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.2
50.59889	0.1
51.02359	0.2
53.03941	3.3
55.01857	0.7
55.05501	1.0
56.31158	0.1
57.03421	1.4
59.44722	0.1
61.02912	0.6
61.76857	0.1
65.03917	1.3
67.05488	0.7
67.20526	0.1
69.03412	7.1
69.07060	0.2
71.04969	1.2
72.82085	0.1
77.03922	0.3
79.05474	5.7
81.03399	16.7
81.07041	1.4
83.01338	0.3
83.04951	0.5
83.08606	0.7
85.02886	7.6
85.06506	0.2
89.03864	0.2
91.05458	78.5
92.05793	0.5
92.08589	0.2
92.09099	0.8
93.07022	1.4
95.04944	5.9
95.08572	1.3
95.46526	0.1
97.02863	9.1
97.10152	0.3
99.00829	0.2
99.04420	2.4
105.03370	100.0
105.06993	1.2
106.03716	0.9
107.08572	0.8
109.02861	9.5
109.06523	0.2
109.10131	0.9
110.07870	0.2
111.04422	0.2
111.08067	0.2
117.06979	0.3
119.08561	0.7
121.06509	0.3
121.10095	0.3
123.04400	9.4
123.08027	0.3
127.03878	6.0
131.08524	0.3
133.10110	0.9
135.11667	0.9
137.05956	0.6
145.04953	1.3
145.10063	0.7
151.03873	10.4
157.10112	0.2
161.09662	0.3
163.03822	1.7
163.11166	0.6
167.07030	0.3
179.92725	0.2
181.04916	1.0
181.06352	0.2
181.12218	0.3
189.05386	0.4
191.85538	0.2
193.04912	0.8
201.41113	0.2
203.06873	0.2
207.06416	0.3
217.04892	0.8
231.06499	0.6
241.08580	1.5
241.21594	0.2
247.05920	0.3
249.07510	17.4
250.07860	0.2
259.05936	0.6
259.09592	4.6
267.08569	13.7
283.09500	0.9
283.15350	0.8
295.08145	0.3
299.14859	0.8
313.09073	0.8
402.88400	0.2
417.11652	0.4
489.31531	0.3
507.25772	1.3
521.46606	0.2
584.50269	0.2
654.37408	0.2
655.19501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.2
52.94027	0.2
53.00283	0.1
53.03935	1.9
53.37537	0.1
55.01860	0.7
55.05490	1.0
57.03421	0.4
57.07049	0.2
61.02919	0.3
65.03913	0.3
65.15346	0.1
67.05492	1.5
69.03415	2.6
69.07045	1.2
71.04958	1.1
79.05478	2.8
81.03398	5.8
81.07038	3.2
82.07347	0.2
83.04961	0.3
83.08564	0.2
85.02888	2.5
85.06522	0.8
86.09672	0.6
89.03896	0.2
91.05466	1.9
92.08833	1.5
93.07011	1.4
94.04166	1.9
95.04948	3.2
95.08595	1.7
97.02863	3.3
97.06500	0.8
97.10188	0.2
99.04445	1.3
99.08018	0.3
103.05437	0.3
105.03374	31.2
105.04517	0.8
105.07005	2.5
106.03690	0.4
106.07390	0.2
107.04945	1.6
107.08566	1.6
108.04486	0.4
109.02863	3.4
109.06497	0.7
109.10132	2.0
111.08019	0.4
115.05389	0.3
117.03370	1.4
117.06978	0.4
119.04927	1.1
119.08588	2.0
121.06482	0.8
121.10095	1.1
122.03624	5.9
123.04416	3.0
123.08037	0.3
123.11694	0.3
125.09589	1.6
127.03893	2.3
127.07509	0.3
129.06969	0.4
131.04912	0.7
131.08517	0.8
133.06500	0.2
133.10110	1.2
134.03586	0.2
135.04448	0.3
135.08012	0.3
135.11656	0.9
137.05956	100.0
138.06345	0.7
139.07507	0.3
143.08536	0.3
145.02832	5.4
145.04968	0.2
145.06435	0.2
145.10109	0.8
147.04408	1.8
147.08092	0.2
147.11659	0.7
149.05948	1.3
149.09596	0.4
151.07530	0.7
151.11104	0.2
157.10138	0.3
159.08078	0.2
159.11658	0.2
161.05969	0.7
161.09584	0.2
161.13145	0.2
163.03922	0.3
163.07491	0.3
165.09122	0.7
167.05615	0.4
167.07004	11.2
168.07324	2.1
169.04961	1.5
173.13232	0.3
173.74812	0.2
175.07536	0.9
175.11131	0.2
177.05435	8.9
177.08949	0.2
181.04884	0.2
181.08553	0.2
184.07310	0.8
191.07071	0.3
203.17784	0.3
211.09474	0.3
215.07034	0.4
217.08537	0.7
219.10135	0.8
221.19049	0.3
245.07991	0.3
245.62086	0.2
249.07521	3.7
249.11269	0.8
263.09006	0.2
267.08563	3.3
297.11285	0.2
299.14771	0.2
303.08594	0.3
311.12683	0.2
343.15411	0.7
345.09546	0.7
351.25620	0.2
353.13840	0.3
465.13870	0.7
467.07587	0.2
471.30801	0.4
483.27188	0.2
489.32294	0.3
680.47491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01887	0.1
55.05502	0.2
57.03426	0.2
63.02343	0.2
64.76827	0.1
67.05504	0.5
69.03415	1.4
69.07066	0.5
71.04992	0.2
77.03936	0.1
79.05487	0.7
79.28142	0.1
81.03407	2.4
81.07036	1.1
83.04959	0.2
83.08627	0.1
85.02908	0.8
85.06551	0.2
85.91563	0.1
89.03903	2.6
91.05460	1.4
92.09291	0.2
93.07027	0.9
95.04959	0.9
95.08559	0.8
97.02869	10.8
97.06514	0.2
97.10123	0.1
99.04452	0.6
103.05459	0.7
105.03375	5.1
105.07038	1.1
106.04220	0.2
107.04951	0.5
107.08575	0.7
109.02859	4.1
109.06453	0.4
109.10141	0.6
110.10480	0.1
111.08047	0.4
117.03360	11.1
119.04930	0.6
119.08562	0.6
121.06473	0.6
121.10140	0.5
123.04382	0.5
123.08072	0.2
123.11702	0.1
124.05202	0.2
125.05972	0.3
125.09585	0.2
127.03892	2.1
129.06982	0.2
131.04904	1.2
131.08563	0.7
133.06432	0.2
133.10107	0.7
134.03636	0.6
135.04413	1.0
135.11707	0.2
137.05968	0.7
137.09651	0.4
139.03871	1.4
139.07510	0.1
139.11154	0.1
141.07007	0.2
143.08488	0.1
145.02831	51.1
145.10074	0.2
146.03192	0.2
147.04413	1.5
147.11736	0.4
149.04758	0.2
149.05952	6.0
151.07559	0.2
153.09105	0.1
157.06520	0.1
157.10149	0.1
159.08058	1.0
159.11703	0.1
161.05951	0.4
161.09593	0.3
161.13245	0.2
162.10448	0.1
162.25352	0.1
163.03879	0.8
163.07527	0.6
165.09064	1.3
167.07008	2.0
169.04906	0.2
173.05949	0.2
175.07585	0.2
175.11194	0.1
177.05434	100.0
178.05746	0.9
186.05492	0.5
187.07538	0.6
189.09035	0.5
191.07034	0.4
193.08504	0.2
195.06499	0.5
201.09181	0.2
203.06964	0.2
204.07738	0.4
205.08504	0.2
209.08026	0.7
216.65076	0.1
219.10095	0.3
221.11743	0.2
223.05948	0.8
231.10219	0.2
233.11780	0.2
249.07437	0.2
249.11194	3.9
251.12654	0.2
267.08499	0.2
321.09543	0.1
381.11707	10.1
413.02786	0.1
471.30908	0.2
489.31519	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.1
53.03941	0.4
55.01863	0.2
55.05501	0.4
57.03432	0.2
63.02347	0.2
67.01879	0.1
67.05479	0.7
69.03408	1.4
69.07056	0.4
69.30281	0.1
71.04975	0.5
78.04673	0.2
79.05482	0.9
81.03390	2.7
81.07025	1.2
82.03674	0.1
83.04942	0.1
83.08611	0.1
85.02895	1.0
85.06545	0.2
89.03896	2.8
91.05463	1.2
92.08884	0.7
93.07011	1.1
95.04945	0.9
95.08604	0.8
97.02867	11.5
97.06519	0.4
97.10123	0.2
99.04430	0.7
103.05447	0.6
105.03364	4.9
105.06998	1.0
106.04221	0.3
107.04936	0.7
107.08564	0.8
109.02854	4.5
109.10133	0.5
111.08054	0.2
115.05402	0.2
117.03352	11.2
117.06996	0.2
119.04909	0.3
119.08556	0.7
121.02871	0.2
121.06480	0.4
121.10119	0.6
123.04391	0.7
123.08060	0.2
123.11662	0.2
124.05181	0.2
125.09576	0.2
127.03879	2.3
128.06230	0.1
129.06976	0.6
131.04890	1.4
131.08549	0.9
133.06458	0.2
133.10080	0.7
134.03593	0.7
135.04385	1.4
135.08054	0.1
137.05952	0.5
137.09573	0.5
139.03865	1.1
139.07513	0.2
141.06999	0.1
142.07750	0.1
143.08586	0.1
145.02823	52.2
145.10104	0.2
146.03206	0.5
147.04375	1.3
147.11710	0.2
148.04915	0.1
149.05954	5.5
149.09576	0.2
151.07475	0.2
157.06422	0.3
159.08032	1.1
161.05939	0.6
161.09602	0.4
161.13246	0.1
162.03090	0.2
163.03870	1.0
163.07474	0.5
163.14850	0.1
165.09067	1.4
167.07030	1.5
169.05005	0.2
171.08116	0.1
173.09654	0.2
173.13293	0.1
175.07565	0.2
177.05428	100.0
178.05742	1.1
181.08597	0.2
186.05400	0.6
187.07524	0.5
189.09056	0.4
193.08424	0.2
195.06459	0.6
204.07782	0.5
205.08478	0.1
207.06404	0.1
209.08052	0.5
219.10139	0.5
223.05936	0.7
229.07133	0.1
231.10025	0.2
233.11635	0.2
249.07385	0.3
249.11165	5.2
251.12657	0.3
267.08734	0.2
303.08542	0.2
321.09552	0.2
328.21060	0.1
381.11713	10.5
397.17667	0.1
489.31750	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	704.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
53.03938	3.9
55.01859	1.1
55.05507	1.8
57.03434	1.8
59.04990	0.2
61.02913	0.4
61.58215	0.2
67.05490	2.0
69.03071	0.3
69.03419	5.6
69.07050	0.9
71.01360	0.3
71.04984	1.5
72.41443	0.2
73.02901	0.3
75.51318	0.2
77.03889	0.3
79.05473	6.0
81.03399	13.6
81.07045	2.4
82.03809	0.2
83.01318	0.4
83.04955	1.4
83.08605	1.3
85.02892	5.2
85.06522	0.3
86.09656	0.2
87.04450	0.2
91.05456	2.9
92.08706	0.5
92.09268	0.4
92.30783	0.2
93.07015	3.0
95.04951	7.0
95.08570	1.9
97.02261	0.3
97.02870	8.4
97.06510	0.8
97.10139	0.3
99.00789	1.3
99.04449	2.3
105.03372	100.0
105.07021	1.9
106.03706	0.8
107.04938	1.3
107.08555	1.9
109.02864	8.2
109.06489	0.8
109.10132	1.2
111.04414	0.3
111.08069	0.2
117.06982	0.8
119.04909	0.4
119.08580	1.9
121.06498	0.9
121.10086	0.8
123.04406	7.8
123.07957	0.5
123.11724	0.2
125.06014	0.3
125.09612	0.3
127.03897	5.0
129.06970	0.3
130.78932	0.2
131.08571	0.4
133.06509	0.3
133.10110	2.5
135.08073	0.2
135.11693	1.0
137.05975	0.3
139.07454	0.2
143.08527	0.4
145.04919	0.5
145.10123	1.3
147.04297	0.2
147.08002	0.3
147.11664	0.4
149.09669	0.3
151.11143	0.3
159.11630	0.3
161.09579	1.2
163.11113	1.4
165.05437	0.3
165.92896	0.2
167.07039	0.2
173.09627	0.4
177.05443	0.3
179.10619	0.4
184.07286	0.2
189.09142	0.3
209.11629	0.3
225.11145	0.2
231.06494	3.4
249.07535	11.7
267.08588	11.2
283.15353	3.2
299.14810	3.5
309.09659	0.2
357.09448	0.3
390.38031	0.2
449.54517	0.2
489.31863	0.3
497.14490	0.3
507.25833	2.7
690.73975	0.2
703.41791	0.3
704.38782	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.2
56.05017	0.2
57.07061	0.2
60.07857	0.4
60.08152	10.0
60.79897	0.2
67.05487	1.0
71.07359	4.8
77.14108	0.2
79.05486	0.3
81.07011	0.4
83.08595	0.3
86.09689	49.7
89.06004	0.3
92.09134	1.3
93.07030	0.5
95.08574	1.0
98.98441	4.2
100.25316	0.2
104.10715	3.2
124.99981	36.6
127.21268	0.3
143.01056	1.2
184.07304	100.0
208.06580	0.3
702.46912	12.5
703.46979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
53.82613	2.0
55.01874	2.2
55.05502	25.8
57.03429	26.9
59.83366	1.7
61.02911	9.7
61.26839	1.8
67.05148	2.7
67.05493	62.8
69.03418	8.7
69.07044	21.0
71.04975	13.9
72.04498	3.1
73.02899	1.9
79.05476	47.7
81.03404	65.7
81.07038	76.5
83.04963	21.5
83.08620	29.4
85.02892	35.3
85.06536	4.8
91.05466	52.1
91.99689	2.0
92.08919	3.1
93.07029	55.4
95.04957	34.3
95.08583	20.9
97.02888	7.5
97.06526	8.0
97.10145	2.8
99.08055	3.2
102.05511	3.1
105.03366	9.5
105.07031	33.7
107.04949	4.6
107.08587	30.6
109.06516	2.8
109.10158	4.6
111.08046	18.1
117.07011	7.9
119.08559	23.0
121.06487	8.0
121.10119	23.8
123.08079	3.3
123.11693	12.9
129.06999	10.0
131.08533	14.9
133.10088	21.0
135.11691	7.7
147.04416	4.5
147.08086	2.9
147.11696	14.9
149.09599	8.4
149.13232	21.7
150.12421	2.0
157.10092	13.9
158.09732	2.1
159.11700	8.0
175.11162	17.0
177.12721	3.2
183.34349	2.1
193.12218	46.1
195.13786	11.4
211.13257	42.1
233.38678	2.4
267.15842	23.7
271.16180	1.9
285.16943	50.1
296.18506	45.9
301.34198	2.3
410.86365	2.0
461.29367	2.3
470.28857	2.7
479.29959	3.8
488.30069	13.1
506.31052	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	702.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72030	0.9
52.48142	0.8
52.58440	0.9
53.00286	1.4
53.03941	1.0
54.68946	0.9
55.01856	7.8
55.05505	72.4
57.03425	21.2
57.07055	1.8
57.34461	0.9
59.04993	2.0
61.02901	6.3
64.86284	1.2
67.05489	68.7
69.03407	12.4
69.07059	21.7
71.04964	2.0
79.05472	48.0
81.03408	4.6
81.07034	60.4
83.04953	6.1
83.08600	43.1
85.02895	5.8
85.06544	2.2
86.09676	5.1
86.13512	1.4
91.05456	17.5
93.07024	48.0
95.04937	5.3
95.08582	36.8
97.02850	2.5
97.06517	1.4
97.10146	100.0
101.09594	1.8
105.07026	13.7
107.08574	49.4
109.06515	2.3
109.10138	18.6
111.08051	5.1
117.06989	10.0
119.08563	13.7
121.10129	15.1
123.11672	5.2
125.09603	82.4
125.10539	2.6
131.08522	12.0
133.10104	10.6
135.08006	8.4
135.11681	12.7
143.10674	5.8
145.10098	6.6
147.11673	6.7
149.13237	7.7
150.01004	1.3
153.09131	4.5
159.11664	5.0
161.13177	1.8
163.14783	2.2
171.10109	2.5
173.13242	2.8
184.07324	11.0
189.11176	58.9
208.40826	1.3
227.12744	72.4
243.21010	5.7
245.13788	84.4
261.22073	23.1
279.23184	1.6
285.17471	1.3
308.50839	1.7
335.25739	57.2
400.87869	1.5
431.31329	1.8
487.33966	7.5
505.35141	42.5
523.36090	1.9
529.38702	4.9
656.28796	1.5
658.30981	1.3
702.27747	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01865	7.2
55.05503	77.7
57.03426	25.0
57.07066	2.9
59.04984	2.8
59.71573	1.1
61.02917	8.9
65.03913	1.3
66.03714	1.0
67.05491	82.7
69.03409	9.6
69.07052	26.0
71.04966	1.7
73.02884	1.4
76.23596	1.2
79.05476	55.5
81.03407	1.4
81.07039	71.4
83.04970	7.2
83.08606	48.8
85.02894	6.1
85.06540	2.2
86.09702	4.7
89.06007	1.3
91.03940	1.7
91.05463	20.4
92.09135	8.6
93.07020	62.0
95.04964	5.7
95.08583	48.2
97.02858	2.2
97.06473	1.7
97.10146	100.0
99.04417	1.6
105.07006	22.0
107.08573	59.8
109.06488	2.1
109.10139	25.1
111.08072	4.8
115.98842	1.1
117.07031	6.6
119.08574	12.5
121.10128	23.6
123.08051	1.9
123.11684	6.8
124.99987	2.7
125.09607	87.5
126.56384	1.2
131.08534	12.4
133.10089	10.7
135.06256	1.2
135.08038	9.6
135.11684	14.0
137.13254	2.0
138.54828	1.2
143.08553	1.4
143.10646	6.0
145.10062	8.4
147.11655	5.0
149.13240	7.3
150.35646	1.2
153.09108	6.7
159.11694	7.2
161.13222	2.3
163.14816	2.7
171.10156	2.2
173.13290	5.7
184.07314	16.5
189.11185	67.1
201.16422	1.3
227.12735	75.7
227.19980	6.9
235.37160	1.5
243.21036	5.0
245.13780	87.9
261.22018	24.0
279.23135	1.9
313.27420	1.9
317.24692	1.9
335.25729	84.5
385.90402	1.3
428.86667	1.4
487.33890	8.0
505.35114	68.7
506.35355	1.5
702.46271	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.1
50.45875	0.1
51.02366	0.4
51.21589	0.1
53.00285	0.1
53.03937	2.7
54.33823	0.1
55.01856	0.4
55.05508	0.2
56.96533	0.1
57.03431	0.8
59.00269	0.1
61.02905	0.2
67.05465	0.4
68.26081	0.1
69.03412	5.0
69.07047	0.4
69.37009	0.1
71.04980	0.8
73.02897	0.2
76.72866	0.1
77.03900	0.5
79.05472	4.4
81.03397	11.8
81.07025	0.6
83.01327	0.1
83.04971	0.1
85.02887	6.0
85.06512	0.1
91.05463	0.5
92.08769	0.2
92.09245	0.1
93.07021	0.6
95.04948	5.8
95.08595	0.3
97.02867	8.4
97.06477	0.1
99.04430	1.8
105.03370	100.0
106.03727	0.8
107.04904	0.1
107.08569	0.3
108.04465	0.2
109.02856	7.8
109.06519	0.1
109.10155	0.4
119.08562	0.3
121.10146	0.2
123.04399	7.4
123.11622	0.1
127.03892	4.9
129.06946	0.1
131.08536	0.2
133.10072	0.1
135.11610	0.1
141.05466	0.1
145.03049	0.1
145.04942	0.9
145.10132	0.1
147.04385	0.3
147.11711	0.2
165.05458	0.2
195.06587	0.1
231.06480	2.8
237.70155	0.1
249.07512	11.2
267.08575	12.5
309.09619	0.4
357.09534	0.1
371.11148	0.2
375.10449	0.2
479.13202	0.3
497.14157	0.3
515.15417	0.3
517.12781	0.1
533.16174	0.2
687.08868	0.1
701.36450	0.3
702.36694	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	702.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01848	1.1
55.42569	0.2
55.92722	0.2
57.03416	0.4
61.02905	0.5
65.03925	0.2
67.05482	0.3
69.03417	2.4
71.04968	0.3
73.02876	0.4
79.05476	1.0
81.03389	1.3
81.07038	1.1
83.04951	0.3
85.02886	10.0
86.09664	0.2
87.04471	0.4
91.05461	10.6
92.09033	1.0
93.07018	0.6
95.04935	4.0
97.02857	3.4
99.04436	0.3
103.05418	1.0
105.07021	2.4
107.04929	3.0
109.02856	1.4
109.06503	3.2
111.04427	0.6
115.05424	1.0
117.06978	0.4
119.04915	10.4
119.08585	0.3
121.06491	2.2
122.03653	1.8
122.52909	0.2
123.04394	0.4
123.08044	1.3
127.03876	1.3
128.06169	1.1
129.06972	6.9
131.04892	4.3
131.08533	0.9
132.71101	0.2
133.06487	1.7
133.07362	0.3
133.10110	1.4
135.04416	0.4
135.08029	3.6
136.05170	1.5
137.05949	48.8
143.04884	0.9
143.82155	0.2
145.04950	1.0
145.06454	1.8
146.03487	0.3
146.07185	0.2
147.04388	1.2
147.08049	0.4
148.05206	0.3
149.05959	7.5
151.04021	1.9
151.07515	61.3
152.07927	0.3
157.06456	6.6
161.05939	8.5
161.09566	2.6
162.06718	0.3
163.03865	1.6
163.07497	15.0
165.06920	2.3
165.09059	3.0
166.07576	0.3
167.07141	0.6
167.08490	5.8
171.11710	0.3
174.06709	4.2
175.03896	0.5
175.07503	4.7
177.05511	0.3
177.07001	0.5
177.09056	7.0
178.07730	0.9
179.06987	0.4
179.08540	1.0
181.06429	0.4
181.08620	0.2
181.10100	0.4
184.08755	0.3
187.07549	0.4
189.09061	21.1
191.10550	0.3
191.14412	0.3
193.06451	3.1
193.08301	0.3
193.10071	3.9
194.07220	0.9
195.08014	13.5
195.09872	0.7
196.08659	0.4
197.05913	0.3
197.09604	0.4
199.07649	0.3
199.11179	0.3
201.09167	0.4
203.08528	1.0
205.06537	0.4
205.10109	0.3
206.07219	0.6
207.06485	1.0
207.08090	1.0
207.10027	2.9
209.06007	0.5
209.09564	2.1
210.06685	2.4
210.10324	0.3
211.07521	1.1
212.08226	2.2
213.09048	0.3
219.10019	1.8
220.08652	0.3
221.05988	5.0
221.09572	6.2
221.11551	0.6
223.07481	6.5
224.08217	2.0
225.05495	0.9
225.09050	5.1
227.10614	21.6
228.10953	0.3
231.07906	0.2
234.06763	0.6
235.07448	0.3
235.10995	0.4
237.09038	2.2
238.06216	1.5
238.09816	0.5
239.06978	0.5
239.10555	0.9
240.07788	2.0
241.08470	0.4
241.12251	1.2
242.09329	0.3
249.08994	3.0
250.09727	0.3
251.07112	0.3
252.07822	1.1
253.08543	9.3
253.12189	10.5
254.09229	0.4
255.10092	19.9
256.10730	0.4
259.13370	0.5
263.10641	0.3
265.08493	1.1
266.09387	0.6
267.10089	3.8
269.08057	2.6
269.11627	1.1
270.08884	1.1
272.10379	2.5
275.12711	0.3
281.11639	3.9
284.10437	1.1
285.11154	12.0
287.12714	26.7
293.11444	0.3
297.11182	0.6
298.12064	0.5
299.12689	1.7
301.14163	1.0
311.12640	1.0
313.10574	0.4
313.14267	16.0
331.15323	100.0
332.15729	2.0
341.13550	0.4
343.15347	4.2
421.16238	0.4
462.89651	0.3
541.94171	0.3
565.92798	0.3
617.88721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
57.03436	2.8
61.02939	0.5
67.05503	0.6
67.61029	0.3
69.03427	0.4
72.30579	0.3
73.92965	0.3
78.20284	0.3
80.54664	0.4
81.03401	0.6
81.07034	0.9
95.08595	0.6
109.02898	0.6
109.10197	0.4
117.05484	1.3
133.10127	0.4
145.02855	0.4
154.57700	0.3
157.54279	0.4
161.20999	0.3
164.45934	0.3
177.05496	0.5
209.04219	0.6
259.62711	0.4
260.17957	0.4
269.06427	1.7
287.07300	22.0
316.39297	0.4
339.24997	3.1
567.51520	0.4
585.32336	19.9
641.35199	0.4
701.37048	100.0
702.37299	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	701.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91702	0.3
55.05503	0.3
57.03416	0.3
58.75792	0.3
67.05480	0.6
69.07052	0.3
73.05950	0.3
75.44828	0.4
79.05463	0.4
79.37814	0.3
81.07025	1.5
91.05443	0.5
92.09136	1.4
92.64123	0.3
95.08575	0.8
102.04655	0.3
105.07012	0.4
112.92204	0.3
114.97390	0.3
118.16141	0.4
126.53291	0.4
145.10164	0.4
147.19363	0.3
149.02338	0.6
163.91472	0.3
185.04222	1.3
203.05307	2.2
259.07846	1.7
305.08560	0.4
347.09518	1.6
365.10498	3.9
421.13177	1.4
457.36530	0.4
528.64410	0.4
539.31799	24.4
583.63226	0.3
701.37036	100.0
702.37427	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	701.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.5
57.03398	0.8
58.99815	0.4
61.02897	0.4
62.55960	0.3
69.03417	3.7
70.06554	0.6
73.02878	0.4
77.00858	1.7
78.82436	0.3
81.03378	0.3
82.99829	1.3
83.04926	0.3
83.57738	0.3
85.02898	5.8
95.01893	2.2
97.02882	2.6
101.00849	6.6
109.02869	0.4
111.04434	0.4
115.02399	0.4
119.01894	41.9
120.01969	0.4
127.03842	2.1
129.94194	0.3
131.01871	4.4
133.03442	3.6
134.99548	0.4
137.01961	0.7
137.02927	9.4
139.02373	2.2
141.92946	0.3
142.01118	0.5
142.03477	0.6
143.01865	8.2
145.02344	0.7
145.03444	17.2
145.04842	1.6
149.02921	1.4
151.04420	0.8
152.02371	0.5
155.01851	1.9
157.03436	37.8
160.02135	2.7
161.02925	19.7
162.05467	0.4
162.20064	0.3
163.02507	0.5
163.04550	5.3
168.04990	0.4
169.03442	0.6
173.02921	6.8
175.04485	31.0
177.04202	0.4
181.05579	3.4
183.04980	0.6
185.02856	0.8
187.02888	0.3
187.04492	1.9
190.04915	1.5
193.03566	0.3
196.08252	0.4
203.03964	1.6
203.05583	0.8
205.03981	0.7
205.05525	17.7
207.04987	2.2
209.06554	2.0
211.04561	0.7
213.06116	0.8
215.05647	0.4
219.04980	2.2
221.04892	3.9
221.06743	12.8
223.06589	98.3
224.06828	2.1
225.06082	3.9
233.06555	21.3
235.04468	1.3
236.05150	0.4
237.02574	0.5
237.06023	3.0
239.07574	0.5
241.07625	52.8
242.07864	0.6
245.05029	1.8
246.05653	0.5
246.08170	1.7
247.04572	0.8
247.08076	0.6
249.06004	1.8
250.35379	0.4
251.07672	6.1
253.05475	1.6
255.03459	2.0
255.07114	0.8
257.08875	0.4
261.02936	0.4
261.06042	1.3
264.06863	6.5
265.07620	100.0
266.07822	2.1
267.07224	0.7
277.05130	0.7
277.07779	2.8
279.09290	0.8
283.08746	0.8
291.07025	0.7
295.06433	1.3
307.08832	0.6
309.08023	3.0
311.09732	6.1
319.09723	0.5
325.09750	2.0
337.07608	1.4
337.11307	0.6
339.09088	4.9
340.09726	0.7
341.10800	3.2
353.10608	0.6
355.12320	6.8
357.10239	21.7
358.10437	0.5
359.11652	1.6
365.09442	0.4
367.10614	3.6
375.11301	3.0
387.13348	7.0
399.11252	9.4
411.11157	1.4
501.14487	4.9
519.15479	77.1
520.15704	2.2
521.13812	1.7
651.23694	0.4
701.22900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07917	0.6
55.05503	1.8
55.58879	0.7
57.03433	0.9
67.05501	3.8
69.07050	4.2
79.05470	3.3
81.06606	0.9
81.07018	6.9
83.08591	0.9
89.03892	7.3
91.05471	4.5
91.83432	0.8
93.06505	1.0
93.07019	6.9
95.04947	3.3
95.08567	12.9
105.07006	8.2
107.08566	12.9
109.06512	3.7
109.10155	6.3
111.08075	0.9
113.05978	1.9
115.05453	0.7
117.03358	27.8
117.07034	1.1
117.54530	0.9
119.08566	15.2
121.10104	8.9
123.11683	3.5
125.09613	1.2
131.08530	4.9
133.10127	10.6
135.04384	1.1
135.11693	4.5
137.05956	15.9
145.02829	89.5
145.10097	10.0
147.04431	1.5
147.11668	8.2
149.05975	10.8
149.09537	1.0
149.13208	3.9
151.11052	1.0
153.09102	0.9
157.10126	1.7
159.11652	8.0
161.09583	1.3
161.13206	3.3
163.11163	1.2
163.14787	4.7
165.09084	1.4
171.11646	1.9
173.13228	6.8
175.14799	4.6
177.05431	100.0
177.16362	3.5
179.07018	18.2
183.11621	0.8
185.13203	1.2
187.14816	14.2
189.16359	12.9
191.17931	0.9
199.14711	2.8
201.16362	10.3
203.17917	4.8
213.16327	3.2
215.17928	5.1
217.15811	1.8
225.16484	1.1
229.19435	1.7
231.17340	1.0
235.16858	3.2
241.19485	1.4
247.16893	1.3
249.18393	1.3
309.25705	1.1
405.31403	4.4
407.32959	1.9
411.28836	4.3
423.32535	11.7
425.33795	1.7
451.31848	4.1
453.33951	1.0
469.33173	9.2
471.34518	3.8
471.96432	0.8
647.39435	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	700.448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.1
53.03907	0.8
55.05505	8.5
57.03424	7.6
57.07065	68.9
60.08149	5.0
60.08422	0.7
61.02602	1.0
61.02913	26.5
67.05142	1.1
67.05489	20.9
69.03407	1.5
69.07050	13.8
71.07358	1.5
71.08611	55.7
73.02604	0.6
73.02902	9.8
75.04450	3.3
79.05461	2.8
81.03388	1.4
81.07038	28.6
83.08593	14.5
85.02888	25.1
85.10164	29.5
86.09162	0.7
86.09686	21.0
91.03398	1.0
91.03936	20.0
91.05446	0.7
91.72898	0.6
92.09289	1.3
93.07009	3.4
95.08579	45.0
95.20052	0.6
97.02868	12.8
97.10133	12.9
98.06670	0.7
98.98428	1.7
99.04430	1.6
99.11687	1.4
104.10745	1.2
105.07020	0.8
109.10136	18.8
111.11678	6.8
113.13242	1.3
115.03909	1.3
122.37146	0.7
123.11689	7.4
124.99976	17.9
125.13212	1.7
126.27621	0.7
127.03890	6.0
137.13240	2.9
145.04933	9.1
155.28676	0.6
163.05952	10.1
184.07300	43.5
229.14322	0.8
249.25645	0.9
267.26794	15.2
269.61890	1.0
285.27728	5.7
341.30423	100.0
342.30844	0.9
359.31479	43.2
700.44757	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	700.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20565	0.7
54.23400	0.6
55.05503	1.9
56.96963	0.8
58.25135	0.6
67.04940	0.8
67.05500	4.1
69.03428	0.9
69.07062	1.4
79.05479	1.6
81.07040	7.8
83.08631	1.3
89.03909	8.1
91.05469	3.9
92.08825	6.6
93.07009	7.1
95.04919	1.7
95.08582	14.4
105.07013	11.2
107.08581	14.1
109.06499	3.2
109.10136	6.8
109.23331	0.7
113.06013	3.7
113.80324	0.7
117.03361	30.3
117.07055	1.8
119.08552	13.6
121.06461	1.0
121.10090	10.0
123.11667	1.5
131.08525	6.0
133.10097	11.2
134.03589	1.4
135.04417	1.9
135.11667	5.6
137.05963	14.7
137.09608	1.1
143.08536	2.5
145.02834	97.1
145.10120	7.9
147.04335	0.9
147.11676	5.7
149.05978	12.7
149.09610	1.7
149.13275	4.3
153.09109	1.0
157.10130	3.3
159.11674	6.5
161.13234	4.7
163.03885	0.9
163.14815	4.9
165.09023	1.5
171.11725	2.7
173.13235	4.4
175.11220	1.3
175.14812	5.6
177.05432	100.0
177.16364	4.2
179.07002	19.7
183.11685	1.2
185.13280	1.2
186.05568	0.9
187.14769	12.6
189.16341	14.1
191.18005	1.6
199.14838	3.4
201.16342	12.0
203.14412	1.1
203.17931	3.7
213.16396	3.9
215.17938	5.4
217.15784	1.1
221.15479	1.3
231.17328	0.9
233.15518	0.8
235.16977	1.3
247.16974	3.3
249.18439	1.2
261.18430	1.2
275.20206	1.1
309.25735	1.4
319.55536	0.9
329.94388	0.8
405.31400	4.5
407.32904	1.8
411.28827	5.3
423.32629	10.9
425.33990	1.6
451.32098	1.6
453.33441	0.9
469.32932	7.5
471.34558	1.4
587.81512	0.9
647.39221	13.7
700.36108	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
53.03935	3.6
55.01858	0.3
55.05500	4.9
57.03419	1.3
57.07059	1.4
58.01354	0.2
59.04979	0.4
61.02896	1.3
63.69558	0.3
67.05489	3.1
69.03410	7.7
69.07045	4.1
71.04968	1.8
71.08608	0.4
73.02904	0.6
77.03904	0.4
79.05468	8.3
81.03394	14.5
81.07031	9.9
83.04939	0.5
83.08592	4.5
85.02880	10.1
85.06519	1.5
91.05444	4.0
92.09193	0.7
93.07018	9.4
95.04379	0.5
95.04940	6.5
95.08582	11.2
97.02862	10.2
97.06508	1.6
97.10143	4.8
99.04453	2.4
99.08063	0.7
105.03368	100.0
105.07014	4.0
106.03698	1.1
107.08573	16.6
107.09294	0.6
109.02857	9.4
109.06499	1.7
109.10131	7.7
111.08074	1.9
115.11153	0.3
117.07021	0.4
119.04927	0.3
119.08551	5.0
121.02834	0.5
121.06480	0.5
121.10114	18.4
123.04401	11.2
123.08051	1.2
123.11666	5.7
125.05971	0.5
125.09601	1.5
127.03873	7.0
127.07544	0.6
129.07013	0.3
131.08513	2.1
133.10097	4.1
135.08057	1.2
135.11668	8.2
137.05969	0.4
137.09555	0.5
139.07504	3.6
143.08575	0.4
145.02861	1.2
145.04973	1.1
145.10114	2.6
147.04401	1.6
147.11649	2.2
149.09587	1.7
149.13249	1.6
153.09074	4.5
155.10655	0.7
157.10162	0.5
159.11670	2.8
161.09566	0.3
161.13200	3.6
163.11172	1.3
163.14774	1.6
165.05516	0.4
165.09134	0.5
167.10631	2.4
171.11682	0.5
173.13234	1.8
175.11157	0.3
175.14771	4.9
177.05489	0.6
177.12718	0.4
177.16342	21.1
181.12196	4.7
187.14825	1.4
189.16347	1.7
191.14308	0.5
191.17957	2.5
192.07416	0.3
195.13782	0.4
195.17377	0.6
199.14731	0.4
201.16356	4.0
203.17914	1.0
215.17755	0.3
219.17413	7.2
221.15312	0.3
231.06502	1.2
237.18440	14.0
249.05476	0.4
249.07506	14.6
255.19482	20.3
267.08551	17.0
395.33170	0.3
407.33231	1.3
425.34180	1.2
500.74561	0.3
503.37344	3.9
624.67114	0.3
699.35480	1.2
700.35364	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32444	0.3
53.03931	4.1
55.01852	1.6
55.05499	4.7
57.03422	1.3
57.07056	0.6
59.04979	0.6
61.02898	1.2
65.03912	0.6
67.05140	0.5
67.05484	9.6
68.16958	0.3
69.03410	10.4
69.07052	4.2
71.04961	2.1
73.02873	0.6
77.03895	0.4
79.05000	0.4
79.05463	12.0
81.03390	20.5
81.07031	16.7
83.04962	3.7
83.08587	2.9
85.02885	13.2
85.06531	0.7
87.04452	0.3
91.05444	9.2
92.01773	0.3
93.07015	15.4
94.96574	0.3
95.04932	9.9
95.08575	13.3
97.02254	0.6
97.02856	9.9
97.06499	2.1
97.10116	1.6
97.97182	0.3
99.04434	2.1
105.03363	100.0
105.07001	18.2
106.03711	1.8
107.04926	0.6
107.08564	13.7
107.09293	0.5
109.02852	9.0
109.06477	2.5
109.10120	7.9
111.04399	0.6
111.08040	1.8
115.05405	0.6
117.06981	4.8
119.08548	11.0
120.08887	0.4
121.02818	2.8
121.06484	1.3
121.10101	7.5
123.04390	11.8
123.05289	0.5
123.08038	2.5
123.11653	2.0
125.06005	0.4
125.09599	3.1
127.03876	6.4
127.07484	0.5
128.11267	0.3
129.06975	1.9
130.07744	1.7
131.08537	9.4
133.06470	0.6
133.10106	8.3
135.04417	0.4
135.08044	1.6
135.11664	4.4
137.05986	0.6
137.09578	0.7
139.03886	0.4
142.07706	0.5
143.08472	2.4
144.09315	0.6
145.02809	1.2
145.04941	1.4
145.06516	0.4
145.10091	14.5
146.10744	0.5
147.04379	2.1
147.07973	0.7
147.11650	4.5
149.09627	1.9
149.13257	1.6
151.07518	0.6
151.11169	1.4
155.08560	0.5
157.10107	2.9
159.11653	9.3
161.13214	5.4
163.03857	1.6
163.11130	2.0
165.09038	0.4
165.12668	0.5
167.06938	0.4
167.08510	0.4
171.11674	0.6
173.13251	2.5
175.11133	1.5
175.14778	0.6
177.05388	0.6
193.08485	0.4
193.12206	1.8
199.14789	0.4
201.16330	11.9
203.17911	1.3
205.12411	0.5
219.17380	6.1
225.16338	0.6
231.06529	0.7
249.07506	15.9
267.08542	20.0
287.05353	0.7
288.06064	0.4
459.27405	8.5
600.29199	0.6
629.59564	0.4
700.38257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.4
51.42351	0.3
53.00293	0.5
53.03939	3.5
54.81214	0.3
54.87068	0.3
55.01869	0.6
55.05502	4.3
56.48412	0.4
57.03429	1.5
57.07059	0.7
57.38372	0.3
59.04979	0.5
61.02905	0.7
65.03915	1.4
67.01835	0.4
67.05487	10.3
69.03062	0.7
69.03408	10.7
69.07047	5.1
70.18390	0.4
70.18835	0.3
71.04971	7.0
73.02901	0.7
73.06519	0.7
76.49377	0.4
77.32834	0.4
79.05469	14.2
81.02926	0.7
81.03394	15.4
81.07033	19.0
83.04952	3.6
83.08588	1.7
85.02882	16.6
85.06519	1.6
91.05454	13.1
92.08823	3.2
93.07017	24.2
95.04939	8.6
95.08577	17.0
95.09190	0.6
97.02859	10.8
97.06506	2.8
97.10152	0.7
99.04433	2.5
99.08062	0.6
105.03368	100.0
105.07005	29.6
105.07745	0.6
106.03695	0.6
107.04939	0.5
107.08570	26.0
109.02861	10.1
109.06519	2.6
109.10130	13.6
111.04424	0.4
111.08089	0.7
111.77094	0.4
115.05440	0.6
117.06982	6.1
119.04922	4.7
119.08556	13.8
120.05260	1.9
121.02825	4.5
121.06445	0.5
121.10114	10.3
123.04404	11.6
123.08012	0.8
123.11646	2.9
125.05919	0.4
125.09595	4.7
127.03873	8.4
127.07513	0.6
127.11176	1.7
129.06979	1.7
130.07748	1.9
131.08534	11.8
133.10095	24.1
135.11661	5.9
137.09572	0.7
139.11200	0.5
141.05515	0.4
142.07779	0.5
143.08533	1.6
143.10655	5.2
144.09325	2.1
145.02820	0.7
145.04942	2.2
145.10098	26.2
147.04378	16.4
147.11632	5.4
148.04713	5.6
149.09605	0.7
149.13220	4.8
151.11148	1.8
155.08649	0.4
157.10063	3.1
159.11656	16.6
161.13194	5.0
163.11147	2.0
163.14809	0.6
167.14284	5.9
171.11659	0.6
173.13287	3.5
173.14525	0.4
175.14790	0.6
177.05432	0.9
177.12624	0.5
186.13875	0.5
187.14905	0.4
199.14827	0.6
201.16336	19.2
203.18066	1.3
219.17383	12.1
231.06519	1.5
237.18365	2.6
249.07512	18.1
267.02515	0.4
267.08563	19.4
273.07605	0.8
283.07990	0.4
283.66296	0.4
700.34058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2132
Annotation	Prunose I
Peak:m/z	Relative Intensity
51.02367	0.1
53.00293	0.1
53.03940	0.5
55.05508	0.1
56.56007	0.1
65.03925	0.6
67.01853	4.1
69.03419	0.5
71.04984	0.8
81.03402	3.4
81.07071	0.1
85.02899	0.5
87.71252	0.1
91.05463	7.2
92.08997	0.7
93.07037	0.1
97.02869	1.5
99.04418	1.3
102.81342	0.1
105.03411	0.1
105.07046	0.1
107.08627	0.1
109.02866	6.2
119.04922	22.5
120.05256	0.1
127.03893	11.4
135.06924	0.1
147.04391	100.0
148.04779	0.7
165.05496	0.1
169.04945	2.0
188.59108	0.1
201.07297	0.1
255.06395	0.8
273.07507	10.9
345.65143	0.1
393.11734	2.5
588.35388	0.1
702.84668	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	699.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.8
55.05490	3.0
57.07053	2.5
67.05492	14.1
72.76589	2.3
73.51495	1.9
79.05496	2.9
80.64303	2.1
81.03403	2.9
81.07046	8.6
83.08628	2.1
91.05424	3.8
92.08780	16.3
92.09413	4.0
93.07011	3.9
93.63204	2.2
95.04943	3.6
95.08607	3.3
97.10178	2.4
107.08569	3.1
117.06920	2.0
128.97824	2.2
134.69620	2.1
135.33540	2.3
147.11661	2.3
236.14899	3.0
276.16711	2.2
287.07364	20.2
308.34146	2.1
348.21964	2.4
477.96100	2.4
541.29956	20.7
639.33673	3.6
690.20374	2.8
699.34961	100.0
699.44525	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	699.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
53.78331	0.5
55.01859	0.6
55.05497	2.7
56.19075	0.5
56.78139	0.5
57.03415	2.9
59.04983	0.8
61.02655	0.5
61.02919	6.2
64.68474	0.5
67.05495	5.1
69.03413	5.9
69.07046	1.2
71.04980	1.3
73.02896	2.8
79.05460	5.9
81.03397	7.3
81.07031	4.4
83.04986	1.1
83.08583	0.6
85.02889	7.1
85.06540	1.1
91.03950	1.0
91.05454	6.1
93.07018	7.2
95.04939	2.8
95.08573	2.9
97.02859	5.6
97.06519	1.4
99.04398	1.3
101.02338	0.9
105.03364	20.6
105.07017	4.3
106.03685	1.3
107.04922	0.8
107.08566	4.8
109.02873	2.5
109.10149	2.3
111.08062	0.7
117.07019	1.1
119.08562	3.3
121.10128	4.0
123.04477	0.8
125.09628	0.6
127.03883	2.9
131.08562	1.3
133.10138	2.5
134.39882	0.6
135.11656	4.4
137.05933	0.7
145.05006	0.7
145.10147	2.7
147.04402	3.1
147.11685	1.2
149.09567	1.2
157.10107	1.3
159.11578	0.8
163.11089	0.7
175.03870	0.6
177.05476	0.9
181.12109	0.6
193.12206	2.0
207.06450	0.6
207.77872	0.7
243.08429	3.7
249.07619	2.6
250.08002	0.8
267.08588	3.4
267.15976	0.7
268.09045	1.0
283.15021	4.3
339.17838	0.9
439.19312	13.8
459.86163	0.6
501.22882	13.4
537.30243	0.8
548.62885	0.8
675.14069	0.7
699.35388	100.0
700.35736	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	699.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.2
53.03721	0.2
53.03940	4.5
55.01865	0.3
55.05509	2.1
57.03420	1.2
61.02908	0.3
65.03912	0.2
67.05492	1.2
69.03419	6.3
69.07056	0.5
71.04980	1.6
72.60346	0.2
72.84978	0.2
73.02907	0.4
77.03878	0.3
79.05478	5.1
81.03402	15.3
81.07043	1.8
82.07372	0.3
83.04967	6.8
83.08589	0.2
85.02419	0.4
85.02888	6.2
91.05434	1.0
92.08746	1.1
92.09378	0.5
93.07026	1.3
95.04949	7.2
95.08549	1.5
97.02868	8.9
97.25666	0.2
99.04442	1.8
105.03374	100.0
105.07007	1.3
106.03717	0.8
107.04963	0.3
107.08568	1.2
109.02865	8.4
109.06506	0.4
109.10138	0.9
111.04407	2.6
111.08031	0.2
119.04919	0.5
119.08562	1.6
121.02837	2.2
121.06518	0.2
121.10110	0.4
123.04411	6.6
123.11665	0.2
125.09655	0.3
127.03886	4.6
129.05482	0.2
131.08554	0.9
133.10095	0.8
143.08548	0.3
145.02829	0.8
145.04942	1.3
145.10158	0.3
147.04396	2.4
147.11687	0.4
149.09708	0.3
153.01842	0.8
157.10100	0.8
159.11694	0.4
163.03879	0.3
167.06982	0.9
175.11221	0.3
177.05388	0.4
195.06381	0.3
231.06516	2.1
249.07529	15.9
258.05212	0.3
262.49918	0.2
265.07407	0.3
267.08563	6.1
287.05444	12.9
299.05420	0.5
329.06412	1.7
397.09293	0.3
499.76700	0.3
582.13214	0.3
698.33948	1.9
699.34277	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	698.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
67.05493	0.9
69.07055	1.7
70.64225	0.3
79.05486	0.9
81.07041	2.6
87.53252	0.4
89.03896	8.9
91.05471	2.4
92.09085	0.4
93.07024	2.8
95.04951	0.6
95.08591	3.6
97.06530	0.4
105.07011	3.5
107.08566	4.0
109.10150	1.0
117.03356	32.2
117.07009	0.6
119.04959	0.4
119.08563	4.5
121.10119	3.7
123.08062	0.4
123.11693	0.6
131.08553	2.1
133.10120	3.9
134.03609	2.4
135.04404	2.3
135.08018	0.6
135.11684	1.5
145.02829	84.4
145.10066	4.5
147.11650	2.2
149.05963	12.4
149.09642	0.4
149.13225	0.6
157.10095	1.9
159.11656	2.3
161.13258	0.9
163.03889	0.7
163.14771	0.9
171.11684	0.5
173.13225	2.3
175.11067	0.4
175.14761	2.1
177.05431	100.0
177.16348	0.8
178.05734	0.4
185.13226	0.5
186.05458	0.7
187.14822	3.5
189.16350	2.4
191.17953	0.5
197.13158	0.9
199.14725	0.8
201.12819	0.6
201.16321	2.4
203.17906	1.7
212.05608	0.4
215.14288	0.6
215.17899	0.6
217.15843	0.6
231.17239	0.5
235.16846	0.5
241.19424	0.8
247.16856	0.4
255.42000	0.5
311.59161	0.4
387.30228	0.6
405.31409	3.0
423.32373	3.1
433.30869	1.6
441.33325	0.7
451.31958	3.3
469.32639	2.5
496.83087	0.4
532.66150	0.4
567.88464	0.4
617.37439	1.8
618.23346	0.4
663.38226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	3.2
53.03917	1.9
54.82156	1.9
54.98325	1.8
55.05505	29.3
57.03423	11.7
57.07067	41.1
67.05487	55.7
68.05828	2.2
69.03401	1.8
69.07050	27.1
71.08609	27.2
79.05473	37.4
81.02928	3.9
81.03399	79.8
81.07037	62.0
82.03723	4.1
82.07368	3.2
83.04975	2.7
83.08269	1.6
83.08623	27.6
85.06520	2.1
85.10168	10.9
91.05456	34.4
93.07020	34.0
95.04947	22.6
95.08585	44.6
96.08932	2.3
97.02888	2.1
97.06500	3.3
97.10145	10.6
105.07018	33.3
107.04964	4.2
107.08585	21.4
109.10108	18.8
111.04385	2.2
111.08077	8.8
117.06972	3.4
118.93638	2.0
119.08552	21.6
121.10112	16.3
123.11674	8.9
129.06960	15.7
131.08540	18.4
133.06511	2.1
133.10121	16.5
135.11671	7.2
137.13255	2.7
143.08531	3.3
145.10124	10.8
147.11659	16.9
149.09598	3.5
149.13228	2.8
155.80524	2.1
157.10136	12.6
159.11674	4.1
161.13152	2.2
162.88232	1.8
171.11644	2.7
173.13226	3.7
175.11130	8.5
185.13290	2.8
193.12260	9.3
230.31497	1.9
231.16945	2.3
234.83955	2.1
236.16368	8.4
237.16743	2.9
239.16223	3.2
267.15854	2.4
314.28510	2.0
335.25732	12.1
425.34174	4.6
499.37549	4.9
505.38831	80.4
506.39142	100.0
517.38696	14.1
540.28827	2.1
578.76495	2.5
697.42505	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
54.81955	0.6
55.01869	0.9
55.05497	2.8
57.03423	3.4
61.02912	7.7
62.30932	0.5
63.77801	0.5
65.03925	0.6
67.05481	7.7
68.05829	0.6
69.03416	5.3
69.07038	2.7
71.04980	2.8
73.02899	5.0
79.05059	0.8
79.05471	6.2
80.53805	0.6
81.03401	7.1
81.07033	13.0
83.04972	2.5
83.08584	2.3
85.02882	9.4
87.04472	0.7
91.03938	2.9
91.05463	6.4
92.09160	0.6
93.07020	7.7
95.04935	4.0
95.08598	5.7
97.02885	5.9
97.06490	2.7
99.04451	1.4
101.02341	1.3
105.03381	7.9
105.07018	8.8
107.08564	7.1
109.02863	3.0
109.06514	2.4
109.10138	3.6
110.10509	0.7
111.08087	0.9
117.07085	0.8
119.08544	8.0
121.10123	4.4
123.04372	1.0
123.08064	0.9
123.11665	2.2
125.09630	1.0
127.03898	2.5
129.06975	0.8
131.08543	1.5
133.10107	2.5
135.11659	1.1
137.09628	0.7
143.08537	0.7
145.02769	0.8
145.10127	2.5
147.04393	2.9
147.11661	9.0
149.09602	0.7
157.10138	2.6
159.11626	1.1
165.12756	2.4
175.11218	1.0
175.14804	0.7
184.07314	0.9
187.14874	1.0
193.12257	3.0
211.13214	0.8
221.63757	0.6
243.08394	2.4
249.07343	0.7
251.12451	3.4
263.72159	0.6
267.08691	0.7
267.15775	0.8
269.12381	2.7
273.27722	0.7
285.16699	1.2
307.15176	2.6
345.57388	0.6
370.40842	0.7
469.20248	18.9
539.79535	0.7
540.23920	0.6
697.33838	100.0
698.34235	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	697.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.6
57.03410	7.6
61.02918	25.4
67.05489	32.1
68.05807	3.8
69.03419	4.4
69.07043	4.1
71.04973	4.2
71.69617	3.6
73.02902	5.5
79.05469	6.6
81.03398	15.5
81.07035	18.9
82.07375	6.9
85.02880	23.6
86.09674	4.8
87.20884	3.1
91.03923	7.4
91.05471	14.6
93.07031	21.2
95.08585	18.5
96.08930	4.2
97.02873	17.0
99.04387	3.9
105.06988	6.2
105.31558	3.3
107.08585	13.2
109.02863	25.5
109.06427	3.4
109.10149	26.8
117.05475	7.6
119.08592	5.3
121.10128	5.7
127.03891	6.9
135.11642	3.6
145.10135	6.4
159.11679	4.7
173.11742	5.0
243.08412	5.2
301.08908	5.3
354.27090	4.9
355.27802	3.8
371.46347	4.0
413.17712	37.3
453.20816	7.1
467.99524	3.7
468.20746	3.7
485.20358	4.5
567.30981	19.7
596.31134	6.1
625.31818	100.0
626.31726	3.9
651.32800	4.4
697.33875	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	697.34
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.2
53.03933	1.2
55.01865	0.8
55.05503	1.9
57.03429	2.6
59.46812	0.2
61.02909	6.2
61.06971	0.1
62.89046	0.2
63.37380	0.2
67.05495	3.5
69.03420	4.0
69.07043	1.1
71.01347	0.9
71.04981	1.1
72.20194	0.2
73.02899	4.3
79.05466	4.1
81.03395	8.3
81.07037	4.5
83.01322	0.2
83.04962	2.3
83.08597	2.0
85.02886	9.0
85.06580	0.2
88.78220	0.2
91.03931	3.0
91.05463	5.9
92.08575	0.4
92.09204	1.1
93.07031	2.8
95.04953	3.0
95.08596	1.8
97.02868	5.8
97.06521	0.4
97.10155	0.4
98.03202	0.2
98.97595	0.4
99.04449	1.2
101.02361	2.4
105.03343	1.6
105.07011	3.7
107.04971	1.5
107.08563	1.5
109.02857	2.2
109.06514	1.0
109.10163	0.4
111.08064	1.2
113.02053	0.2
113.05988	0.4
115.03905	0.2
115.05399	0.2
116.98621	0.3
117.07003	0.3
119.04937	0.4
119.08566	3.1
120.08810	0.2
121.10132	1.2
123.08045	0.7
123.11729	0.3
127.03908	2.3
128.06100	0.2
129.06979	2.0
131.08542	2.3
133.10068	1.9
135.11519	0.2
137.09598	0.4
142.07767	0.4
145.04955	0.8
145.10080	0.4
147.04369	2.2
147.08002	0.3
147.11641	2.1
149.09607	0.9
157.10110	2.3
165.12766	0.9
175.11177	2.0
185.04222	0.5
193.12215	3.3
203.05276	0.4
211.13251	2.0
243.08339	3.1
251.12431	2.3
267.15952	0.3
285.16931	0.9
288.12415	0.2
301.46432	0.2
307.15198	1.2
333.23041	0.2
453.03751	0.2
464.27261	0.2
469.20380	17.8
470.20569	0.2
480.44690	0.2
490.88364	0.2
499.51691	0.2
535.28937	0.3
653.94922	0.2
697.33893	100.0
698.34222	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	697.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01862	0.6
55.05502	2.8
57.03424	4.4
57.17867	0.4
58.97004	0.4
59.37085	0.4
61.02914	4.8
67.05485	5.2
69.03416	5.4
69.07054	1.8
71.01315	0.5
71.04971	1.7
73.02891	2.9
73.97588	0.4
74.55631	0.4
76.56417	0.5
79.05480	5.5
81.03397	10.5
81.07034	6.2
82.07376	0.5
83.04959	2.8
83.08602	3.4
85.02425	0.6
85.02897	10.1
85.06539	0.7
91.03948	3.0
91.05457	6.3
92.08997	2.8
93.07023	5.6
95.04948	4.7
95.08598	3.7
97.02864	6.1
97.06504	0.8
97.10183	0.9
98.97570	0.9
99.04430	1.1
101.02379	2.3
103.03950	0.5
105.03374	5.8
105.07015	4.5
107.04957	1.8
107.08593	3.5
109.02861	3.9
109.06519	0.7
109.10155	2.9
111.08085	1.9
117.03354	0.5
119.04932	1.8
119.08565	4.9
120.08949	0.5
121.06479	0.5
121.10088	3.3
123.04492	0.5
125.09640	0.7
127.03888	3.3
129.07011	2.1
131.08582	2.8
133.10103	3.3
134.99637	0.6
135.04425	0.9
135.08087	0.6
135.11705	1.1
144.58835	0.4
145.02864	2.2
145.10117	1.8
147.04401	5.6
147.11668	4.0
148.04807	0.5
149.09595	1.0
149.13219	0.6
157.10129	2.7
159.11703	1.0
163.03860	4.1
163.08023	0.4
165.12766	0.5
173.13234	0.5
175.11182	3.1
177.00586	0.5
177.05469	2.0
177.09576	0.5
177.16391	0.4
193.12267	5.5
211.13269	3.3
229.14690	0.5
243.08337	3.9
249.43944	0.5
251.12517	5.9
285.17105	0.8
307.15149	0.9
469.20374	20.8
697.33887	100.0
698.34186	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	697.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	0.2
53.03921	0.3
55.01854	1.4
55.05500	2.6
65.03912	0.5
67.05484	1.8
68.99762	1.2
69.03398	0.8
69.07029	0.3
71.04970	0.2
78.43215	0.2
79.05464	0.3
81.03409	0.3
81.07033	1.0
83.04964	2.5
83.08592	1.8
85.02886	1.2
91.05452	1.3
93.03374	1.1
93.07001	0.9
95.04929	3.8
97.02859	0.9
97.06495	0.5
97.10168	0.2
101.84749	0.2
104.54267	0.2
105.03344	0.3
105.06995	0.9
107.04934	0.4
107.08571	1.4
109.02869	0.2
109.06506	0.3
109.10146	1.0
111.04416	3.5
111.08036	0.4
115.05415	0.9
119.04911	5.8
121.02842	0.3
121.10089	1.8
123.04394	54.6
123.11662	0.2
124.04788	0.2
125.09581	0.4
127.03891	1.5
131.04916	0.2
133.06444	0.9
133.10112	1.2
135.04367	1.0
135.11598	0.3
137.02325	0.5
137.05930	0.8
139.03871	100.0
139.11113	0.8
140.04259	0.4
143.04886	2.1
145.02794	0.8
147.04379	21.9
148.04715	0.9
151.03851	2.4
151.07518	0.9
151.11154	2.5
153.05426	0.9
157.12193	0.4
159.04346	0.3
161.05940	7.6
163.03854	2.5
164.46742	0.2
165.05431	11.5
167.14288	2.5
169.04921	1.2
173.13222	0.3
177.05377	2.1
179.07001	3.7
181.04968	0.9
189.05379	2.3
191.14233	0.3
203.06953	0.3
207.06476	8.2
207.08385	0.4
209.15335	8.7
249.07513	0.4
273.07611	1.2
291.08548	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	696.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
54.82361	0.6
55.01859	1.1
55.05499	10.0
57.03418	2.6
57.07064	22.5
58.13435	0.5
64.34132	0.6
67.05491	15.8
69.03409	0.9
69.07053	7.5
71.04975	1.0
71.08614	16.1
72.43455	0.6
77.06865	0.5
78.93607	0.5
79.05478	7.5
81.03397	42.9
81.07032	17.8
81.07473	1.1
81.74279	0.5
83.04964	2.3
83.08603	14.1
85.10158	8.6
91.05459	12.9
92.08718	3.1
92.09341	1.4
93.07032	7.5
95.04953	13.1
95.08578	15.2
97.02892	2.2
97.06490	0.8
97.10152	3.6
97.65167	0.6
98.98430	1.0
105.06989	11.2
107.04928	3.7
107.08590	4.7
109.06509	1.2
109.10134	7.7
111.08060	3.1
115.05482	0.6
117.07007	0.8
119.08562	7.9
121.06447	0.9
121.10128	2.7
123.11701	3.0
125.09617	0.9
129.06976	4.6
130.08438	0.6
131.08522	6.2
133.06490	1.4
133.10083	6.5
135.07896	0.7
137.13161	0.7
142.07790	1.2
145.10153	1.3
147.07990	2.7
147.11644	3.9
149.09598	2.6
151.11162	1.3
157.10056	5.1
159.11626	0.8
163.11166	0.7
175.11148	5.0
193.12228	6.2
236.16423	5.3
239.23506	0.7
249.14806	0.7
267.15866	1.0
282.27817	1.0
306.54169	0.5
313.27112	1.1
361.74173	0.6
496.36429	0.6
505.38745	100.0
506.38861	2.9
507.36243	4.9
697.43524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99945	0.3
51.41540	0.2
53.00290	0.7
53.03927	0.7
55.01863	1.5
55.05500	23.0
57.03424	9.2
57.07064	10.6
59.04971	0.3
61.02910	31.0
65.03925	1.8
67.05487	79.7
69.03414	4.4
69.07049	30.6
71.04973	2.2
71.08602	5.3
71.08962	0.4
73.02893	12.3
75.04459	0.5
79.05467	23.8
81.03399	2.4
81.07033	100.0
83.04964	2.0
83.08599	21.3
85.02883	31.9
85.06524	2.9
85.10165	3.1
87.04436	0.5
89.59149	0.3
91.03930	27.9
91.05450	19.2
92.08868	2.2
92.64146	0.3
93.07015	26.8
95.04952	2.7
95.08577	91.5
97.02863	14.9
97.06503	7.6
97.10139	12.7
97.10746	0.5
99.04392	2.4
99.08049	3.6
100.72984	0.3
101.02351	0.5
103.03846	0.4
103.40630	0.3
105.07007	13.6
107.08568	21.6
109.02854	1.8
109.06516	0.7
109.10133	44.1
111.08069	4.2
111.11678	3.3
113.09648	1.6
115.03885	0.6
119.08553	15.3
121.10110	22.7
123.08042	1.7
123.11672	20.6
125.09621	2.5
125.13181	0.5
127.03868	7.5
127.11168	1.3
129.05492	0.5
131.08514	1.4
133.10091	18.8
135.11653	12.1
135.12659	0.5
137.09610	2.2
137.13223	8.7
139.11101	1.4
141.12717	0.7
145.02869	1.7
145.04924	9.1
145.10094	0.6
147.11659	11.6
149.13226	11.6
151.11182	2.0
151.14796	5.4
153.12680	0.6
155.14261	2.5
161.13231	14.1
163.05960	11.3
163.14778	9.1
163.60394	0.3
165.12714	1.2
165.16359	6.2
167.14249	1.3
167.45389	0.3
173.11743	0.4
175.14774	10.4
177.05417	2.7
177.16365	1.5
179.14250	0.4
179.17877	5.0
181.15855	1.6
189.16330	4.6
193.15845	0.7
203.17899	1.7
207.17410	0.5
217.19482	1.2
221.19083	0.3
245.22574	45.5
263.23624	78.4
264.24057	0.4
265.25119	0.7
269.27850	0.4
281.24646	2.3
299.22385	0.4
337.27283	51.8
355.28326	15.6
422.85602	0.4
425.73752	0.4
437.83261	0.4
499.32590	5.8
556.29266	0.4
661.37604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65335	1.3
55.05500	10.3
57.03424	22.4
57.07064	1.8
61.02911	3.9
65.69456	1.4
67.05489	10.3
69.03430	5.5
69.07046	7.0
79.05512	6.0
81.03394	14.3
81.07038	14.7
82.89421	1.8
83.08600	7.8
85.02902	7.7
91.05462	3.4
92.08871	8.2
93.07007	7.6
95.04943	3.5
95.08588	14.7
97.02864	34.3
97.06508	2.8
97.10140	3.1
99.04406	2.8
100.91232	1.6
105.06999	7.5
106.07427	1.6
107.08583	6.2
109.02867	10.9
109.10139	3.9
117.05465	47.6
119.08566	3.1
121.10126	6.1
121.53159	1.9
127.03876	15.9
131.08485	1.4
133.10178	1.6
159.06496	100.0
161.13260	1.7
187.05980	3.1
188.02850	1.8
274.36258	1.7
340.88400	2.0
378.65668	1.7
397.29318	18.4
415.30612	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	696.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.2
53.03939	11.4
55.01857	0.6
55.05505	3.5
57.03428	36.1
57.07058	1.1
57.16715	0.2
61.02636	0.4
61.02913	9.0
67.01855	3.2
67.05492	4.1
68.18969	0.2
69.03413	9.2
69.07050	5.0
71.04977	2.4
71.08594	0.3
73.02888	0.4
75.04450	1.1
79.05468	1.5
81.03397	34.5
81.07028	5.1
83.04974	0.3
83.08600	3.1
85.02879	6.1
85.06498	0.4
86.14206	0.3
91.05469	2.0
92.08990	0.9
93.07021	1.9
94.07370	0.5
95.08580	5.8
97.02872	18.1
97.06496	0.6
97.10145	2.2
99.04433	8.0
103.03925	1.7
105.07009	1.5
107.08600	2.3
109.02860	59.4
109.10136	3.6
111.11696	0.3
117.05470	100.0
119.08545	2.0
121.10104	1.8
123.08035	0.3
123.11681	1.6
127.03889	29.8
133.10063	1.4
135.11629	0.4
137.13213	0.3
139.03870	1.6
145.02795	0.3
145.04913	1.5
145.10123	0.4
147.11650	1.1
149.13135	0.3
159.06496	20.3
161.13252	0.4
163.14769	0.4
169.04936	6.6
187.05983	7.9
189.16486	0.3
200.72252	0.3
229.07034	4.7
247.08067	10.5
247.10457	0.5
257.24652	0.4
261.22198	0.3
262.22266	0.5
263.23492	0.6
277.62729	0.3
281.24677	1.1
289.09042	1.1
299.25723	1.6
349.35764	0.3
354.27435	0.4
355.28271	2.9
373.29471	0.5
397.29459	10.3
405.13815	0.4
407.37656	0.3
415.30441	4.7
506.31207	0.3
618.05756	0.3
638.42291	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.8
53.03935	2.0
53.14409	0.6
55.01869	0.9
55.05502	2.7
57.03431	6.1
57.07078	4.6
59.04993	5.2
61.02923	4.4
64.13595	0.6
65.03931	0.6
66.38815	0.5
67.05492	29.9
67.29179	0.5
68.95296	0.5
69.03416	20.6
69.07048	2.3
71.04613	0.8
71.04979	16.8
73.02895	1.0
79.05485	6.7
79.19849	0.5
81.03403	8.2
81.07050	9.4
83.04958	3.9
83.08583	2.2
85.02893	19.1
85.06531	22.1
86.09684	5.1
87.04448	4.4
91.03920	0.8
91.05460	6.5
92.09000	2.8
93.07024	7.1
95.04951	38.2
95.08591	6.1
95.29572	0.5
97.02890	8.6
97.06512	10.5
97.10156	0.8
99.04417	2.6
101.05964	1.0
105.03373	11.2
105.07026	8.8
107.04923	1.0
107.08572	6.1
109.02859	6.0
109.06506	2.6
109.10162	4.1
111.04411	1.3
113.05991	100.0
117.05466	0.6
117.07018	0.9
119.04910	0.7
119.08558	7.8
121.06486	0.9
121.10119	3.9
123.04405	0.8
123.08049	1.1
124.99966	3.0
125.05969	4.4
127.03899	7.0
127.07539	0.8
128.06187	0.6
129.06990	1.2
131.08536	5.0
133.10133	5.9
135.04385	1.2
135.08044	1.2
135.11661	1.3
137.05965	0.8
137.09619	0.6
139.20963	0.6
143.08574	1.4
145.02817	1.1
145.04907	5.2
145.08589	16.2
145.10114	5.0
147.04417	6.2
147.08067	1.1
147.11685	4.7
149.09608	1.0
149.13309	0.9
151.11153	0.6
153.05479	5.0
155.07002	3.0
155.08414	0.8
157.10114	2.8
159.06482	1.0
159.07988	0.6
159.11687	6.2
161.09630	0.7
161.13251	0.7
163.03862	2.2
167.06956	0.7
169.10129	0.9
170.13495	0.6
171.11716	2.0
173.13107	1.7
173.46402	0.5
175.11136	2.0
175.14854	3.0
177.05420	2.4
177.09094	0.7
179.08554	0.6
180.16498	0.5
181.10065	0.7
182.15605	0.5
183.11690	1.0
184.07315	11.1
185.13245	1.2
187.14742	1.0
189.07642	1.2
191.10535	0.6
193.12236	1.2
197.13225	1.0
199.14813	1.1
199.94051	0.5
201.16335	3.7
215.14252	0.7
217.12125	1.0
249.07431	0.8
267.08566	1.2
267.15857	2.3
277.19205	0.9
285.09769	0.6
291.21014	2.2
309.22092	1.0
319.20529	1.0
337.21530	6.9
355.22607	12.5
373.23669	46.1
458.49387	0.6
481.27615	0.9
517.31177	6.1
692.79230	0.6
695.40112	0.7
697.33124	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	0.3
53.03942	1.1
55.01863	0.6
55.05505	2.7
55.05731	0.3
57.03426	2.6
58.29283	0.2
61.02916	5.6
63.96154	0.2
67.05492	5.3
69.03417	3.9
69.07044	2.4
71.01331	0.4
71.04985	1.3
73.02894	3.9
79.05464	5.5
81.03403	6.9
81.07034	6.8
82.03713	0.5
83.04964	1.9
83.08607	2.0
85.02889	7.7
85.06543	0.7
86.09728	1.1
87.04413	0.4
91.03947	2.5
91.05456	5.3
93.07020	6.2
95.04942	4.4
95.08585	4.3
97.02853	5.5
97.06517	1.3
97.10150	0.5
99.04391	1.1
101.02381	1.3
105.03378	3.7
105.07011	4.5
107.04958	1.2
107.08575	4.1
108.08936	0.4
109.02885	2.0
109.06506	1.3
109.10149	2.5
111.04446	0.5
111.08052	1.4
111.11753	0.4
113.05984	0.5
115.03946	0.3
117.03355	0.5
117.06963	0.4
119.04893	0.4
119.08531	3.8
120.08910	0.4
121.06509	0.8
121.10129	2.5
123.08066	0.6
123.11679	1.2
124.04726	0.4
127.03922	0.7
129.06972	1.3
131.04961	0.4
131.08557	2.2
133.10114	3.0
135.04401	2.9
135.08026	0.3
135.11650	3.8
137.09656	0.3
142.07799	0.4
145.02824	2.7
145.04987	0.4
145.10078	4.0
147.04375	1.6
147.11624	2.2
149.09618	0.6
149.13223	0.5
156.08331	0.4
157.10110	1.3
163.03870	8.6
163.11127	5.1
173.09575	0.3
173.13139	0.4
175.11208	1.3
177.05421	0.4
184.07326	1.8
193.12239	3.7
203.05182	0.3
211.13263	0.6
217.19899	0.3
219.09924	0.4
227.12712	4.9
243.08394	2.6
249.10919	9.9
251.12537	1.3
257.34778	0.3
267.08710	0.4
267.15860	1.3
305.13605	1.7
312.71786	0.4
447.27322	0.5
461.28397	1.2
467.18756	11.5
469.20355	10.9
479.29602	0.4
533.26801	0.4
542.30920	0.4
550.78717	0.4
695.32281	100.0
696.32831	0.8
717.86444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17436	0.3
53.03935	2.2
55.01862	2.0
55.05502	4.1
56.05853	0.3
57.03429	4.7
61.02913	8.9
67.05492	8.3
68.05838	0.5
69.03416	5.5
69.07048	3.1
71.01341	0.6
71.04972	2.7
73.02895	5.3
79.05470	7.0
80.05849	0.3
81.03400	10.6
81.07040	9.3
82.03758	0.4
82.07371	0.4
83.01327	0.6
83.04966	4.2
83.08612	4.6
85.02889	10.8
85.06528	0.6
86.09694	0.5
87.04477	0.4
91.03925	5.1
91.05450	7.9
92.09089	1.4
93.07021	8.4
95.04938	5.5
95.08562	4.4
97.02863	8.0
97.06516	1.8
99.04423	2.3
101.02313	2.1
103.03914	0.4
105.03378	2.9
105.04502	0.3
105.07001	5.0
107.04929	1.8
107.08591	3.9
109.02890	1.5
109.06467	2.3
109.10137	3.0
110.10482	0.3
111.04410	1.1
111.08056	1.5
113.06013	0.4
113.09637	0.3
115.03909	0.3
117.06987	2.6
119.08559	4.4
121.06480	0.6
121.10122	3.1
123.04459	0.6
123.08060	1.7
124.99957	0.4
125.06018	0.3
125.09662	0.3
127.03876	2.6
129.06995	1.7
131.08533	2.9
132.08932	0.4
133.10085	3.2
135.04425	1.6
135.08063	0.6
135.11670	2.4
136.12070	0.3
137.05984	0.3
137.09576	0.5
142.07756	0.4
145.02856	0.6
145.10109	3.2
147.04395	0.4
147.08136	0.5
147.11707	1.5
149.09616	1.2
149.13264	0.6
150.17549	0.3
151.11128	0.4
153.12834	0.6
157.10124	2.0
159.11665	0.5
163.03868	3.4
163.11145	3.5
175.11189	1.5
177.05489	0.5
177.09079	0.3
184.07318	1.4
185.04285	0.5
191.10635	0.3
193.12227	2.5
194.12701	0.4
203.05286	0.7
209.11679	1.1
211.13356	2.2
211.15053	0.3
217.55991	0.4
243.08322	3.4
249.11037	0.5
251.12527	1.7
253.14380	0.5
254.14871	0.3
267.15933	1.9
268.16226	0.5
269.17334	2.1
270.17719	0.4
283.15399	1.3
285.16754	0.4
307.15042	0.5
421.25772	0.5
439.26776	0.4
447.27762	0.3
461.28864	2.3
462.29269	3.0
465.28577	0.5
466.28918	0.4
467.18808	9.0
469.20404	5.8
498.31421	0.5
695.32294	100.0
696.32770	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	695.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46130	0.3
53.03939	1.0
54.99677	0.4
55.01862	0.7
55.05498	2.0
57.03416	0.5
61.77184	0.3
63.54028	0.4
65.03942	0.4
65.74789	0.4
67.05503	3.4
67.41734	0.4
68.16093	0.4
69.03410	2.8
69.07053	1.1
71.04977	0.7
73.07400	0.4
76.52422	0.4
77.33584	0.5
79.05482	2.9
81.03391	5.0
81.07028	4.1
83.04970	0.9
83.08609	0.9
83.24759	0.5
85.02903	3.0
85.06545	0.7
86.09689	7.5
91.05453	8.5
92.05807	0.8
92.08878	2.1
92.09402	0.4
93.07021	3.5
95.04953	3.6
95.08619	2.4
97.02879	2.9
97.06538	1.9
98.98492	0.5
104.10770	0.5
105.03374	20.6
105.06980	3.5
106.03717	3.1
107.08543	3.1
109.02871	2.3
109.06500	0.6
109.10139	2.5
117.03381	0.5
117.07047	0.6
119.04914	4.7
119.08617	2.2
120.05267	0.5
121.06499	0.7
121.10137	2.1
122.10442	0.5
123.04429	1.0
123.08024	0.8
123.11718	0.8
124.99980	5.0
125.09636	0.5
127.03869	1.8
127.11115	0.5
133.06564	0.4
133.10098	1.0
135.11737	0.8
137.05968	0.7
145.02864	1.0
145.10107	1.6
147.04379	22.1
147.08011	0.6
147.11690	1.9
148.04729	4.4
149.13335	0.5
159.11664	0.7
163.03900	1.8
167.28168	0.4
171.11746	0.5
177.05479	2.0
177.09006	0.6
184.07314	18.6
185.07590	0.7
189.09183	0.7
189.12791	0.5
249.05197	2.0
249.07587	0.8
289.06808	0.6
305.06458	0.7
307.07813	5.2
321.05829	0.5
349.09027	0.6
363.10651	3.0
409.11154	1.7
451.11984	23.6
467.11533	1.8
469.13086	9.6
484.35504	0.5
497.30814	0.9
587.13525	4.8
651.20013	1.0
651.36902	3.2
694.35791	0.6
695.19385	100.0
695.38483	10.6
696.19659	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	695.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66721	0.8
52.30853	0.8
55.05499	4.6
57.03424	1.5
57.64492	0.9
58.28637	0.9
67.05492	6.6
69.03413	7.2
69.07059	8.7
71.04977	1.3
73.81047	0.9
79.05456	6.7
80.05821	1.4
81.03410	5.1
81.07039	16.2
83.04959	2.3
83.08608	1.6
84.93213	0.9
85.02889	6.4
85.06514	1.5
86.09698	6.4
91.05470	5.2
92.08844	5.5
93.07016	11.3
94.07371	1.1
94.74146	0.9
95.04953	6.7
95.08574	13.2
95.09059	1.0
97.02878	1.8
97.06534	1.7
97.10162	1.4
99.04408	2.0
99.08076	1.2
101.84689	1.0
103.05458	2.4
105.03358	18.8
105.07023	16.5
106.03721	5.3
106.07339	4.5
107.04974	1.2
107.08590	8.8
108.08932	1.1
109.02882	4.4
109.06493	3.9
109.10123	13.4
109.10769	1.1
110.10477	1.0
111.04404	1.3
111.08068	2.0
111.11703	1.0
117.03323	1.4
118.04186	1.7
119.04935	2.2
119.08537	9.7
121.06493	4.1
121.10131	6.0
122.10397	1.3
123.04440	1.3
123.08018	4.9
123.11697	1.7
124.08344	1.2
125.00005	1.8
125.09613	1.5
127.03872	2.2
131.04890	3.9
131.08574	4.0
133.06458	8.0
133.10117	8.3
134.06792	1.8
135.08037	4.1
135.11691	3.7
137.05943	9.2
137.09644	3.6
139.03882	1.9
139.11203	1.7
145.02896	2.0
145.08943	1.0
145.10095	5.0
147.04398	6.5
147.11655	4.4
149.05986	1.6
149.09616	3.8
150.06738	4.0
151.07397	4.6
151.11136	1.3
157.10133	1.3
159.11690	4.6
161.05946	1.7
161.09627	1.2
161.13292	1.4
163.03922	4.7
163.07494	1.5
163.11237	1.2
164.07979	1.1
165.09128	8.3
166.09453	1.8
167.07031	5.6
175.07628	1.1
175.11183	1.1
175.14716	7.0
176.07858	1.3
177.05444	1.2
184.07327	9.8
185.07718	0.9
185.13261	1.8
189.09073	1.2
189.12752	1.7
193.08543	17.7
194.08945	7.4
195.09070	1.8
199.14728	1.0
211.09615	12.2
212.10016	10.4
213.10292	4.2
217.15952	1.0
249.80954	1.0
285.32471	1.1
319.36563	0.9
323.58038	1.0
337.30096	1.1
385.33432	1.0
407.07336	3.6
443.27884	5.0
444.28247	2.3
461.28860	12.8
462.29282	8.2
462.35165	1.3
479.30164	6.4
480.30429	2.3
653.21442	1.2
695.15674	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	695.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.05503	2.1
65.03938	0.8
65.45679	0.8
67.05492	5.4
69.03411	1.9
69.07056	4.2
71.04960	1.1
71.65252	0.8
79.05481	2.2
81.03398	5.5
81.07045	8.0
83.04966	1.8
83.08606	1.1
85.02893	3.4
85.06528	1.3
86.09695	6.4
91.05460	4.7
92.08768	3.9
93.07019	7.5
95.04935	6.3
95.08598	5.1
96.08955	1.0
97.02894	2.1
97.06497	1.5
99.04452	1.9
105.03374	14.3
105.06994	6.0
107.08595	4.2
109.02861	1.4
109.06524	1.8
109.10141	4.1
111.04411	0.9
119.04932	3.9
119.08575	4.4
121.06499	1.4
121.10133	5.0
123.04413	1.5
123.08058	1.5
123.11662	1.8
123.28651	0.8
124.99979	7.0
125.09658	1.0
127.03881	1.6
131.08568	1.8
133.10126	2.0
137.05977	3.6
137.09645	1.6
145.02856	3.4
145.10136	4.0
147.04387	11.0
147.08038	1.0
147.11690	1.7
149.13387	1.0
157.10106	1.3
159.08043	1.1
159.11703	1.3
161.09554	1.7
163.03897	4.1
165.09109	1.1
167.07072	3.7
171.11560	1.1
177.05432	1.7
184.07327	17.1
185.13235	0.9
191.06940	0.9
215.17949	1.0
230.09648	4.4
231.09990	1.2
244.03999	0.9
407.07501	4.5
461.28821	1.8
462.29633	1.0
486.77600	1.0
695.15704	100.0
695.34686	3.0
696.15887	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.0
55.05497	31.4
56.20290	3.4
57.03431	18.9
57.07076	7.2
58.99891	3.0
60.11601	2.8
67.05499	100.0
69.07044	28.2
71.04974	16.8
71.92511	3.2
79.05476	66.2
81.07043	80.0
83.08598	17.6
91.05467	44.7
93.07027	72.1
95.04943	14.6
95.08588	58.8
97.06516	15.1
97.10106	3.9
105.07022	37.8
107.04919	4.0
107.08598	35.2
109.10146	39.2
117.06989	7.9
119.08570	26.4
121.10114	22.2
125.09621	5.5
131.08553	25.8
132.69896	3.7
133.10127	16.0
135.11699	14.2
136.22876	3.2
145.10127	13.7
147.11674	5.4
149.13258	4.8
157.10051	5.6
159.11703	4.4
161.13315	4.6
192.10504	3.6
227.12827	4.8
229.14325	21.1
243.54912	3.3
246.82553	3.4
275.20108	5.1
335.25745	33.7
416.05869	3.7
484.00330	4.1
489.35333	16.2
529.38647	49.3
553.44818	4.2
569.41498	47.4
609.44604	5.3
695.42542	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	694.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	24.3
55.01870	1.0
55.05494	5.2
57.03429	16.2
57.07068	1.4
57.54869	0.7
61.02904	3.9
67.01835	3.4
67.05491	8.6
69.03414	10.0
69.07044	5.1
71.04964	4.4
71.08620	1.4
73.81352	0.8
79.05480	6.4
81.03402	35.5
81.07043	9.1
81.84814	0.8
83.04989	1.0
83.08579	1.4
85.02882	7.7
85.06535	1.1
86.09686	5.0
87.09988	1.2
91.05437	5.0
92.08696	1.7
92.09228	1.6
93.07043	6.6
95.04935	1.1
95.08562	4.7
97.02872	21.5
97.06483	1.6
97.10129	3.3
98.46900	1.0
99.04427	10.1
103.03919	1.7
105.07017	5.8
107.04938	0.9
107.08572	4.1
109.02150	1.8
109.02866	44.2
109.10150	1.1
117.05474	13.0
117.06992	0.9
119.08580	1.9
121.10091	1.6
124.99978	4.4
127.03893	30.5
129.06970	0.9
131.08505	2.0
133.10077	2.0
135.11691	0.9
143.08559	0.9
147.11821	1.0
159.06496	100.0
163.11061	1.0
169.04948	3.1
184.07289	11.7
185.07751	1.6
187.05988	12.7
212.38017	1.0
229.07039	2.1
247.08035	7.9
273.18427	0.9
291.19446	3.4
353.26541	1.1
371.27750	1.0
505.38559	3.2
526.61603	1.0
559.35913	3.5
641.43225	1.4
694.45575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
53.39008	2.4
53.67350	2.3
54.87994	2.4
55.05492	27.1
57.03421	2.7
57.07050	4.7
67.05484	46.5
67.75291	2.4
69.03388	3.3
69.07056	64.6
70.62469	2.4
71.04974	3.4
79.05460	31.9
80.63699	2.4
81.03393	4.1
81.06584	4.4
81.07031	63.8
83.04952	4.4
83.08592	11.8
85.02872	3.8
89.40609	2.3
91.05433	26.2
92.09016	6.3
93.07008	56.8
95.04951	3.4
95.08578	60.4
105.07003	61.6
107.08568	80.5
109.06483	5.8
109.10133	63.6
111.08038	4.3
111.11687	2.8
117.06965	14.3
119.08553	100.0
121.06479	4.4
121.10112	87.0
123.08039	10.1
123.11686	21.9
129.06979	4.8
131.08536	41.2
132.65297	2.7
133.10097	47.9
135.08034	3.6
135.11647	25.0
136.69731	2.6
137.09596	3.9
142.07721	3.5
143.08557	22.8
144.09300	3.5
145.10132	46.6
147.11671	36.5
149.09573	6.0
149.13251	14.6
155.08505	6.3
156.09297	6.0
157.10065	31.9
159.11665	46.3
161.09525	5.5
161.13231	39.8
163.14830	5.0
168.09332	11.8
169.10071	16.6
170.10867	5.8
171.11673	28.3
173.09563	3.7
173.13226	28.2
175.14769	20.4
177.12662	6.4
177.16283	4.3
179.08543	3.7
181.10071	6.2
183.11612	40.3
185.13222	22.5
187.06029	3.1
187.14774	20.9
189.12717	3.6
189.16296	12.9
191.14221	3.3
193.10078	6.4
193.15750	4.2
194.10866	4.9
195.11610	16.5
196.12492	2.9
197.13214	18.3
199.14732	14.4
201.12865	4.9
201.16357	10.6
203.17955	11.7
205.15816	3.7
207.11629	13.8
208.12384	5.8
209.13260	5.9
211.14816	25.0
215.17990	6.2
219.13794	3.6
219.20987	3.3
221.13156	11.9
222.13942	3.6
223.14919	20.3
225.16327	19.1
227.17857	12.2
229.19408	3.3
233.13248	5.9
237.16389	6.1
239.14308	3.0
239.17822	5.3
241.15904	3.9
243.17374	3.9
247.14755	6.6
249.16328	12.9
251.17867	2.9
253.19559	3.2
257.22632	4.9
261.22113	3.4
263.17819	6.3
265.19482	5.2
269.18930	4.0
273.18472	3.4
277.19275	3.8
279.20990	4.7
283.20270	2.9
289.19366	3.6
295.20459	5.4
303.20554	3.9
313.76486	3.0
333.25742	3.9
337.25180	4.4
355.26083	6.2
373.27182	3.4
391.33484	4.0
401.31870	34.2
409.34464	3.7
410.22855	2.8
419.32956	57.8
420.32736	2.9
437.34116	25.5
455.35522	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	694.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01859	2.6
55.05504	10.2
55.24248	0.4
57.03430	19.2
57.07067	0.6
61.02908	1.2
67.05492	33.8
69.03108	0.5
69.03394	3.4
69.07056	10.1
71.01336	3.1
71.04984	4.3
73.02905	2.1
79.05478	34.4
81.03400	63.0
81.07038	24.6
83.04963	12.1
83.08118	0.7
83.08608	15.2
85.02899	3.5
85.06535	2.5
86.09671	0.7
88.41703	0.5
91.03935	0.5
91.05463	19.6
93.07018	40.3
95.04948	20.7
95.08584	8.2
97.02875	2.7
97.06516	10.5
97.10148	9.2
99.04481	0.7
99.08056	2.2
105.03385	7.0
105.07002	10.4
107.04928	4.4
107.08577	23.9
109.02848	0.7
109.06506	4.4
109.10136	6.2
111.04433	1.2
111.08065	6.4
114.26639	0.4
115.05445	1.0
117.07004	4.2
119.04923	0.8
119.08559	15.8
121.06512	3.6
121.10111	9.4
122.21976	0.4
123.04425	0.8
123.08053	1.9
125.09621	2.6
127.03857	0.7
129.06989	5.7
131.04863	0.5
131.08545	7.3
131.54436	0.5
133.06505	1.2
133.10103	7.6
134.10425	0.6
135.08055	0.8
135.11673	34.5
137.09637	2.4
142.07744	1.0
143.08578	0.6
145.10121	8.7
147.04430	0.9
147.08073	2.0
147.11681	6.5
147.75356	0.5
149.09596	3.7
151.11172	0.9
153.12738	0.8
157.10098	7.6
159.11732	0.7
161.65381	0.6
163.03947	0.6
163.11143	6.4
165.12738	1.8
175.11153	8.3
177.05504	0.7
181.12234	5.9
184.07367	1.8
193.12213	16.8
193.13943	0.7
211.13277	1.1
249.14862	2.1
255.15852	46.4
267.15866	36.7
285.16681	0.6
375.44086	0.5
403.24893	1.2
421.25815	6.0
447.27332	100.0
448.27878	1.1
453.28302	0.6
465.28485	3.0
479.29874	1.1
489.28326	2.1
497.30612	0.8
591.30328	0.6
694.31592	2.2
695.32306	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	694.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.1
53.03927	4.6
55.01863	2.0
55.05262	1.3
55.05505	22.1
56.05840	0.7
56.40337	0.8
57.03170	1.3
57.03428	20.3
57.07055	1.3
59.04980	4.1
61.02612	0.9
61.02907	8.3
61.90231	0.7
65.23537	0.6
66.04265	0.8
67.05489	100.0
69.03410	8.0
69.07055	16.9
71.04974	30.2
71.35814	0.7
73.02905	1.6
79.05472	40.2
80.05808	1.4
81.03399	58.4
81.07037	59.1
82.03735	3.8
82.07372	5.3
83.04961	20.7
83.08603	24.1
84.05293	0.9
84.08929	1.7
85.02888	29.8
85.06527	6.3
86.09681	7.2
87.04447	1.2
91.03909	1.2
91.05457	49.0
92.05809	1.3
92.08727	2.6
92.09319	1.5
93.07016	35.3
94.07352	1.4
94.59465	0.7
95.04942	31.6
95.08581	26.5
96.05305	0.8
96.08940	0.8
97.02872	7.5
97.06506	10.0
97.10134	5.1
99.04417	1.4
99.08077	3.6
105.03384	6.4
105.07011	32.8
106.03735	0.8
106.07333	2.0
107.04932	8.2
107.08570	19.5
108.08949	1.1
109.02872	1.3
109.06493	9.5
109.10139	61.2
110.06824	1.0
111.04442	3.4
111.08048	9.8
113.05978	3.3
115.05432	1.5
115.10493	0.8
117.06974	5.2
119.04922	1.9
119.08557	38.0
120.08868	3.6
121.06480	3.2
121.10114	19.1
122.10406	1.4
123.08064	4.5
123.11687	8.2
124.11989	1.3
124.99987	4.8
125.09577	3.5
127.03854	3.4
129.06979	15.4
131.08543	12.3
133.06467	3.9
133.10098	16.0
135.08072	1.4
135.11652	15.2
137.09578	13.5
139.00420	0.8
142.07753	3.1
143.08549	0.9
145.10115	7.9
145.55405	0.9
147.04356	1.3
147.08015	1.6
147.11670	22.1
148.12012	5.2
149.09579	7.7
149.13232	1.1
150.09984	1.3
151.11166	1.2
155.10667	1.4
157.10101	18.2
158.10452	0.9
159.11635	1.6
163.11150	5.2
165.12703	8.0
166.13043	1.9
169.12192	1.1
173.11679	10.1
175.11154	16.3
176.11481	1.3
181.12251	3.0
183.11546	0.9
184.07309	15.0
185.09633	1.0
185.13156	1.2
193.12189	33.9
194.12605	4.0
211.13248	28.2
212.13596	3.4
229.14235	1.7
242.81963	0.9
243.15663	2.7
255.15868	9.2
267.15869	22.8
268.16138	5.6
269.17020	3.5
280.68011	0.8
281.72522	0.8
285.16901	22.0
286.17300	10.4
287.18585	9.5
306.52652	0.7
329.21176	1.5
421.25748	16.8
439.26831	45.3
447.27301	23.8
453.28418	5.6
461.28903	9.9
465.28381	36.2
478.28638	3.1
479.29602	6.7
495.29358	4.6
496.29678	11.3
497.30869	38.6
519.74011	0.9
644.35712	1.3
695.31525	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.1
55.01856	0.7
55.05499	1.1
56.05037	0.3
57.03427	0.3
57.07044	0.2
58.06588	0.9
59.07354	0.9
60.07862	0.3
60.08151	7.6
64.18569	0.2
64.78561	0.2
67.05500	1.3
69.03410	1.0
69.07049	1.0
70.06553	0.2
70.55227	0.2
71.04967	0.3
71.07356	2.6
79.05470	1.8
81.03398	1.8
81.07034	2.4
82.07388	0.2
83.04964	0.8
83.08595	0.4
85.02890	1.4
86.09691	39.3
91.05460	2.1
92.08807	0.4
92.81756	0.2
93.07008	1.8
95.04939	1.4
95.08581	1.3
97.02863	0.8
97.06520	0.7
98.45834	0.2
98.98444	3.0
104.10732	2.6
105.03368	1.9
105.07005	1.6
107.04942	0.3
107.08572	1.7
109.02884	0.4
109.06544	0.3
109.10133	1.3
111.04400	0.6
111.08030	0.2
117.07005	0.2
119.04917	1.8
119.08564	1.0
121.10091	0.3
123.04424	0.3
123.08056	0.3
123.11688	0.4
124.99979	26.3
125.09608	0.2
127.03901	0.4
129.06964	0.3
131.08543	0.7
131.78188	0.2
133.10126	1.0
135.11661	0.4
137.05946	0.4
137.09587	0.2
139.03914	0.2
141.09009	0.2
143.01015	0.3
145.02864	0.2
145.10143	0.7
147.04390	6.7
147.11684	0.8
149.09615	0.8
153.01834	0.3
157.10143	0.3
159.11765	0.3
163.11194	0.2
175.11137	0.3
177.05507	0.3
184.07307	100.0
185.07628	0.3
187.14813	0.2
191.10724	0.2
193.12299	0.3
211.13243	0.2
219.43039	0.2
222.08900	0.9
267.15991	0.3
285.17126	0.3
405.24945	0.2
465.40909	0.2
468.23935	0.2
496.29236	0.2
497.30203	0.3
542.94421	0.2
694.35492	10.4
695.34991	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
53.31293	0.3
55.01864	0.5
55.05504	4.9
57.03422	0.9
65.03925	8.6
65.14494	0.3
65.51505	0.4
67.05137	0.7
67.05489	15.7
68.99776	0.8
69.03068	0.6
69.03416	11.5
69.27003	0.3
71.51789	0.4
78.15166	0.3
80.88042	0.4
83.04967	60.0
85.02892	20.6
85.03275	0.4
85.03417	0.5
86.09689	2.2
87.00781	0.5
87.04469	2.1
88.39560	0.4
91.05470	8.6
93.03384	36.3
95.04949	6.7
97.02849	0.9
98.97544	0.4
99.00793	4.7
101.05991	0.6
105.03371	4.4
106.02962	0.5
106.03694	0.5
107.04946	1.5
107.90723	0.4
111.04427	100.0
113.02350	0.8
115.03918	2.2
117.01843	0.6
119.04916	17.1
121.02846	19.6
124.03982	0.7
127.03861	0.4
129.05453	45.5
139.03879	54.4
147.04388	27.9
147.06314	0.7
148.04639	0.4
157.04939	41.1
163.03850	0.9
175.05981	43.2
176.06268	0.5
177.07011	0.6
179.53577	0.4
195.08020	0.6
213.09061	5.7
215.06058	0.4
219.08063	0.4
237.09094	1.5
244.05910	0.7
245.06296	0.5
246.53979	0.4
257.32181	0.4
265.08447	1.7
273.06000	24.5
293.08035	2.4
444.48441	0.4
447.11319	8.5
458.58539	0.4
467.13297	1.8
468.77258	0.4
469.14038	0.6
485.14542	2.5
667.22205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54023	0.9
53.00304	2.0
53.03932	2.2
55.01862	4.2
55.05506	37.6
57.03416	2.4
57.07064	8.4
58.63528	0.9
62.41350	1.0
67.05492	24.8
69.03410	1.3
69.07055	37.6
71.04966	2.0
71.08611	6.7
79.05476	18.2
79.26735	1.0
81.03440	1.7
81.07040	57.2
83.04967	2.2
83.08605	27.7
85.06538	2.0
85.10159	2.1
91.05459	18.3
93.07017	15.8
95.04949	2.6
95.08589	17.7
97.06510	4.4
97.10144	15.3
98.98456	1.8
105.07023	24.9
107.04903	1.1
107.08585	11.1
109.06508	2.6
109.10163	4.3
111.11730	2.4
117.07001	2.2
119.08572	21.1
121.10142	15.1
123.08045	3.8
123.11687	17.2
125.00008	1.6
125.09673	1.1
129.07047	2.0
131.08574	1.3
133.06416	1.1
133.10156	2.6
135.11679	2.3
137.13231	1.4
145.10091	1.3
147.07996	1.4
147.11674	30.9
165.12730	8.6
171.65829	1.0
184.07292	2.2
200.50470	1.0
207.56871	1.0
229.14386	1.3
267.15881	16.4
291.19519	9.4
292.19818	4.1
311.25577	1.7
365.23325	2.4
492.29330	1.3
521.38300	100.0
559.36322	1.8
560.36456	4.5
693.43201	1.7
701.73248	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.1
53.03939	1.4
55.01862	4.1
55.05507	34.6
57.03432	5.9
57.06850	0.6
57.07069	9.3
57.07984	0.5
62.11168	0.5
64.90838	0.5
67.05496	15.8
69.07054	33.3
71.04979	1.2
71.08609	4.7
75.25049	0.5
76.88824	0.5
79.05475	16.1
81.02932	0.9
81.03402	21.0
81.07034	18.7
81.07479	1.1
83.04965	7.5
83.08607	30.5
85.02899	10.3
85.06536	1.0
85.10168	1.5
91.05466	22.0
93.06487	0.8
93.07028	14.1
95.04948	11.7
95.08601	7.7
97.06509	3.5
97.10149	17.2
98.98457	5.0
105.07020	15.5
107.04930	3.9
107.08588	5.4
109.06509	3.1
109.10169	2.6
111.04440	1.1
111.08080	2.9
111.11697	4.1
113.06010	0.8
117.07023	1.3
119.08549	11.4
121.10143	6.4
123.08067	1.4
123.11720	0.9
129.07002	5.9
131.08565	7.2
133.10085	5.9
135.11688	0.9
142.07724	1.0
147.07980	1.1
147.11699	4.6
149.09647	1.5
155.00990	0.8
157.10136	4.6
159.11565	0.7
165.12749	0.7
175.11174	4.1
193.12190	9.0
211.13246	7.6
237.22145	1.6
249.14810	1.0
267.15973	1.0
285.17010	0.8
311.25677	4.0
317.94727	0.6
503.37149	10.2
504.37421	1.6
521.38281	100.0
522.38446	3.8
611.07892	0.7
637.10596	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.8
53.03926	0.9
55.01862	4.2
55.05506	34.4
57.03428	5.2
57.07068	11.7
57.61127	0.4
65.03925	0.8
67.05489	14.7
69.03403	0.7
69.07055	31.2
71.04955	2.3
71.08612	5.6
78.30479	0.4
79.05052	0.8
79.05479	14.7
81.03401	18.1
81.07037	15.9
83.04963	6.1
83.08604	28.2
83.22755	0.4
85.02888	10.6
85.06525	1.7
85.10158	2.0
86.09692	0.9
91.05461	21.4
92.08870	3.8
93.07028	11.1
95.04945	11.8
95.08579	9.8
97.02850	0.7
97.06496	2.0
97.10146	16.5
98.27960	0.4
98.98447	3.8
99.08096	0.7
105.07019	12.4
107.04935	4.8
107.08543	3.6
109.06505	2.1
109.10154	2.0
111.08069	2.9
111.11698	4.0
114.36950	0.4
115.05439	0.7
117.07003	0.9
119.08553	10.2
121.06458	0.5
121.10098	4.7
121.10856	0.4
123.08056	0.9
123.11714	0.6
125.00018	0.7
125.09612	0.5
129.06972	6.2
131.08556	6.3
133.06464	0.9
133.10098	6.3
135.11690	2.2
137.09531	0.9
142.07790	1.8
145.10091	1.0
147.08023	0.9
147.11671	4.8
149.09579	2.5
155.01001	0.6
157.10089	5.0
165.12683	0.6
175.11153	4.5
184.07320	2.7
187.54988	0.5
193.12210	9.1
211.13228	7.3
220.97946	0.5
223.13153	0.5
236.42528	0.5
237.22118	2.9
249.14857	0.7
267.15866	3.5
285.17114	0.8
296.62631	0.5
311.25830	4.2
429.33487	0.8
475.37781	0.5
503.37265	10.8
504.37656	1.0
521.38263	100.0
522.38892	1.9
577.22284	0.5
693.44226	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01866	0.5
55.05501	4.0
57.03428	3.6
61.02912	5.0
67.05492	7.6
68.05811	0.5
69.03424	3.8
69.07067	0.9
71.45789	0.4
73.02898	3.0
79.05468	7.4
81.03397	6.7
81.07033	7.8
83.04965	2.9
83.08623	2.3
85.02888	9.1
85.74986	0.4
86.09657	0.5
91.03945	3.4
91.05459	8.1
92.08928	0.8
93.07019	7.1
95.04917	4.0
95.08582	3.4
97.02874	5.5
97.06506	1.0
97.10198	0.6
99.04437	0.7
101.02379	2.1
105.03401	0.6
105.07012	4.1
107.04946	1.1
107.08567	3.3
108.59592	0.5
109.02879	0.8
109.06505	0.8
109.10162	1.8
109.65122	0.4
117.07011	0.6
119.08521	3.7
121.06538	0.5
121.10115	2.3
123.08091	0.7
125.09599	0.8
127.03907	1.0
129.07037	2.1
131.08530	1.9
133.10124	2.6
135.08049	0.5
135.11713	0.5
145.10104	1.1
147.08115	0.6
147.11635	3.6
157.10156	1.0
158.58881	0.4
175.11142	1.0
184.07288	0.6
193.12285	2.0
195.13705	0.5
209.11758	0.5
211.13284	0.6
243.08380	2.2
247.13077	1.0
251.12567	0.9
252.99075	0.6
267.15918	0.5
269.17505	0.9
285.17014	0.8
301.16446	0.6
307.15399	0.5
465.20941	7.2
469.20319	9.6
477.28897	1.6
478.28687	1.1
495.29538	0.6
496.29568	0.8
554.56982	0.5
693.34473	100.0
694.34607	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	693.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01871	3.2
55.05503	3.9
57.03431	4.4
59.04979	0.6
61.02912	7.0
67.05496	5.5
69.03410	4.7
69.07053	1.6
71.01321	0.6
71.04972	2.3
71.78775	0.3
73.02901	5.3
75.65509	0.3
79.05469	6.2
81.03395	7.5
81.07040	6.8
82.07380	0.6
83.01316	0.8
83.04968	3.7
83.08606	2.9
85.02886	8.0
85.06537	0.5
86.09686	0.4
87.04420	0.8
91.03932	4.9
91.05453	5.8
92.08607	0.6
92.09140	2.1
93.07028	8.1
94.07346	0.7
95.04954	4.2
95.08591	4.0
97.02863	6.7
97.06522	0.9
97.10120	0.7
99.04431	1.7
101.02364	3.2
105.03349	0.9
105.07011	4.5
107.04950	3.0
107.08562	4.8
108.08913	0.4
109.02838	0.7
109.06512	2.2
109.10167	3.0
111.04433	0.7
111.08082	0.6
115.03922	0.6
117.06985	1.9
119.08573	3.3
121.06478	0.6
121.10135	3.7
123.08061	0.9
127.03902	2.0
127.99507	0.4
129.06978	1.0
131.08566	1.5
133.10129	2.3
134.97609	0.5
135.08070	0.8
135.11674	2.6
137.09596	0.6
145.04860	0.5
145.10094	5.7
146.01230	0.4
147.11641	0.8
153.12727	0.7
157.10172	0.6
159.11708	0.5
163.11151	6.1
167.08466	0.4
173.09586	0.7
191.10623	0.6
193.12338	0.7
209.11734	0.7
243.08389	3.4
249.10951	1.6
267.15973	2.6
269.17453	0.7
283.15369	4.0
351.24783	0.4
387.60428	0.5
410.36569	0.4
459.27347	0.6
460.27374	0.6
467.18799	16.7
477.28375	2.2
478.28854	0.9
495.29321	1.8
496.30148	1.4
693.30725	100.0
694.30841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.3
53.03934	1.5
54.02916	0.4
54.81573	0.4
55.01871	2.1
55.05501	4.8
57.03436	4.5
57.07066	0.4
59.04996	0.3
60.90630	0.3
61.02913	5.8
64.66535	0.3
67.05495	10.3
69.03414	4.4
69.07050	3.4
71.01340	0.4
71.04987	0.9
71.95358	0.3
73.02897	3.8
79.05475	11.7
79.05898	0.6
80.05825	0.7
81.03399	9.9
81.07041	13.5
82.03733	0.6
82.07387	0.8
83.04967	3.8
83.08603	4.2
85.02892	7.5
85.06558	0.5
86.09695	0.8
87.04462	0.4
91.03959	2.3
91.05462	9.4
92.05810	0.4
93.07022	11.2
93.07561	0.6
95.04951	5.6
95.08591	5.3
97.02876	5.2
97.06532	1.8
97.10160	0.9
99.04433	0.9
101.02372	3.1
105.03425	0.7
105.07017	6.9
107.04964	2.7
107.08579	6.3
109.02856	0.7
109.06489	2.6
109.10153	2.5
111.04450	0.7
111.08087	0.8
117.07005	2.6
119.08568	5.4
121.06477	1.7
121.10104	3.3
123.08056	1.5
123.11708	1.4
125.00016	0.5
125.09608	0.8
127.03917	2.3
129.05511	0.4
129.06990	2.4
131.08551	3.7
133.10074	3.2
133.53096	0.3
135.08022	0.5
135.11690	1.9
137.09604	0.4
142.07756	0.3
143.08586	1.7
145.09113	0.4
145.10143	2.5
147.04419	0.7
147.08083	0.4
147.11642	4.0
149.09618	0.8
149.13359	0.6
151.11166	0.4
153.09082	0.4
153.12761	0.5
155.08585	0.5
157.10161	1.6
159.11705	0.6
161.13260	0.6
163.11147	2.7
171.11763	1.7
175.11115	0.9
181.12128	0.5
184.07353	2.2
185.04274	0.6
189.12703	0.6
193.12317	2.3
195.13812	0.5
207.13850	0.7
209.11726	0.6
219.13986	0.4
222.64043	0.4
243.08382	2.6
247.13121	1.7
251.12631	0.9
267.15881	2.1
268.16235	0.4
269.17609	0.9
270.17767	0.4
283.15427	1.5
284.15817	0.6
285.17044	0.5
351.25317	1.7
459.27191	0.9
460.27921	1.9
465.20966	10.6
469.20441	7.1
477.28250	2.8
478.28607	3.1
495.29379	3.0
496.29855	2.4
553.16290	0.4
618.86298	0.4
621.32660	0.8
622.32874	0.8
639.33453	0.7
640.34296	0.7
693.34473	100.0
694.34772	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.8
53.03930	2.4
55.01858	2.9
55.05499	24.7
55.45681	0.7
57.03421	17.9
59.04985	0.9
60.62172	0.6
61.02650	0.8
61.02909	7.7
65.03911	1.1
67.05486	44.1
67.25450	0.6
69.03409	7.1
69.07052	19.4
70.08173	0.7
71.04968	7.8
72.07604	0.6
73.02909	2.8
73.06551	0.8
74.72126	0.7
79.04996	0.9
79.05469	37.8
81.03397	64.4
81.07034	100.0
83.04961	21.3
83.08601	29.2
85.02887	27.9
85.06512	7.1
86.09683	1.0
91.03926	2.8
91.05457	51.8
92.09203	2.7
93.07022	28.4
95.04946	30.2
95.08578	29.2
97.02866	7.3
97.06506	11.9
97.10159	3.8
99.04434	1.5
99.08041	5.9
101.05963	1.1
105.03366	12.4
105.07006	52.7
107.04939	7.8
107.08572	19.3
109.02847	1.1
109.06492	9.6
109.10145	6.4
111.04403	1.3
111.08066	12.2
113.05997	2.8
115.05442	1.5
117.07033	2.5
119.08554	47.1
121.06487	1.2
121.10117	34.1
123.04420	1.4
123.08047	7.0
123.11672	31.8
125.00007	0.9
125.09602	1.4
127.03893	1.4
127.07528	2.7
129.06970	12.0
131.08539	12.5
133.06451	3.7
133.10100	12.0
135.11688	1.7
137.05974	0.9
137.09601	1.4
137.13231	1.6
142.07764	4.5
145.10120	3.3
147.08015	3.8
147.11659	80.3
149.09567	7.4
157.10109	16.4
163.11179	2.6
165.12694	23.4
175.11151	18.1
183.13731	1.3
184.07326	1.4
193.12198	43.9
211.13257	42.8
229.14334	1.3
267.15839	73.4
285.16885	91.5
355.11810	1.2
409.82907	0.8
421.94736	0.8
423.22736	0.7
459.27274	4.3
461.82990	0.9
471.63397	0.7
477.28372	24.0
495.29410	90.7
603.45355	0.8
627.58179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.0
56.05004	0.6
60.07907	0.4
60.08152	7.4
67.05473	2.2
69.07039	0.9
71.07343	3.1
79.05448	2.3
81.07046	3.4
83.08611	0.5
86.09688	47.2
91.05464	1.0
92.09007	3.8
93.07023	2.1
95.04943	0.5
95.08559	0.8
98.98434	3.5
104.10723	3.6
105.07049	1.6
107.08561	0.9
109.10143	0.7
119.08521	1.0
123.11638	0.4
124.99976	30.5
129.76227	0.4
133.10078	0.9
143.01042	0.5
145.10118	0.7
149.13168	0.5
184.07301	100.0
251.09131	0.5
485.73666	0.5
662.42456	0.6
692.44843	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	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.01861	4.7
55.05505	20.5
55.42712	0.6
56.05028	0.6
57.03430	24.3
58.06591	0.6
59.04982	1.0
60.08145	1.6
61.02904	3.7
67.05141	1.5
67.05492	31.6
69.03414	7.5
69.07053	11.6
70.48189	0.7
71.04980	7.9
73.02921	0.9
79.05477	35.8
81.03402	100.0
81.07037	38.8
81.07412	0.8
81.07525	1.0
83.04966	25.3
83.08109	1.4
83.08604	35.5
85.02889	44.2
85.06528	3.6
86.09691	10.6
91.03922	1.2
91.04876	1.3
91.05460	43.7
92.08898	3.3
93.07022	26.8
95.04948	46.3
95.08588	14.9
97.02879	6.2
97.06520	7.0
97.10159	7.4
99.08042	1.5
105.03391	5.4
105.07011	32.7
107.04942	10.5
107.08594	13.6
109.02888	0.7
109.06483	8.7
109.10098	5.8
111.04431	5.4
111.08059	16.1
113.05973	3.8
115.05431	1.7
117.07024	1.7
119.08562	28.3
121.06456	3.0
121.10128	15.8
123.08029	3.0
123.11674	4.4
124.99974	7.6
125.09585	2.7
127.07533	1.1
129.06969	15.3
131.08539	20.1
133.06476	4.5
133.10110	17.3
135.08119	0.8
135.11690	0.9
137.09575	1.6
142.07780	6.0
145.10110	4.1
147.08026	4.9
147.11674	27.3
148.20296	0.7
149.09586	9.4
155.08292	0.7
157.10101	23.2
163.11267	1.2
165.12738	6.9
172.78133	0.6
175.09633	1.0
175.11153	26.7
175.12625	1.2
184.07297	27.7
193.12210	64.9
211.13255	58.8
215.23912	0.7
249.14961	0.8
259.03210	0.7
267.08566	0.9
267.15860	30.4
285.16891	50.8
327.12311	1.1
356.08627	0.8
367.22369	0.8
385.23486	3.4
429.20972	0.8
433.25464	0.9
441.26569	0.8
459.27335	32.7
477.28357	34.3
494.28183	1.0
495.29422	94.0
496.28955	1.0
500.35300	0.8
639.33588	1.5
692.34045	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	692.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48789	1.7
55.01884	1.6
55.05505	21.1
57.03201	1.7
57.03427	22.1
61.02900	3.9
62.17298	1.6
65.14959	2.3
67.05495	30.6
69.03402	4.4
69.07044	9.9
70.49833	1.7
71.04968	11.1
73.02907	2.9
77.49592	1.7
79.05472	34.3
81.03404	100.0
81.07037	31.9
83.04965	21.3
83.08606	30.7
85.02428	2.5
85.02899	40.3
91.03940	2.0
91.05459	46.6
92.08693	9.3
92.09325	4.4
93.07030	21.0
95.04404	2.6
95.04952	41.3
95.08574	9.9
97.02883	3.4
97.06491	3.2
97.10138	4.7
103.05434	1.8
105.07016	33.0
106.66266	1.9
107.04939	9.4
107.08578	7.5
107.38575	2.1
109.06493	7.6
111.04416	2.0
111.08057	12.5
112.98766	2.0
117.07031	3.4
119.08573	32.8
119.30747	1.9
121.10138	13.4
123.11643	2.6
129.06963	18.6
131.08557	19.1
133.06517	2.7
133.10051	16.5
137.09679	2.4
147.08022	2.6
147.11688	26.3
149.09593	4.3
157.10100	18.5
175.11066	17.7
193.12216	57.1
211.13237	53.4
267.15842	27.6
285.16888	63.7
302.42480	2.0
323.17075	2.3
385.23618	8.4
459.27246	23.1
477.28406	26.9
495.22571	3.4
495.29431	66.7
682.24719	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01855	2.1
55.05495	2.2
56.96195	0.3
57.03418	2.0
60.08150	0.4
61.02895	0.8
61.70864	0.3
65.03931	0.3
67.05498	2.8
69.03413	7.9
69.07047	2.2
71.01336	0.5
71.04964	1.5
73.02894	0.3
77.03887	0.4
79.05472	8.6
81.02928	0.7
81.03400	17.5
81.07045	5.3
83.04965	1.4
83.08601	1.3
85.02892	11.5
85.06491	0.4
86.09695	1.9
91.05456	6.3
92.08942	2.0
93.07028	5.0
95.04951	9.6
95.08596	3.4
97.02873	6.5
97.06506	1.3
97.10157	0.7
99.04441	2.1
103.03899	0.6
103.05447	5.7
105.03375	100.0
105.07011	13.3
106.04179	0.6
107.04944	6.4
107.08580	2.5
109.02866	5.1
109.06501	2.2
109.10135	2.3
111.04472	0.5
111.08083	0.8
115.05450	0.9
117.06997	1.7
118.04134	2.1
119.04923	3.5
119.08585	2.9
121.06482	4.7
121.10120	2.3
123.04411	10.8
123.08075	1.9
123.11691	0.9
124.99982	0.4
125.05959	0.8
125.09621	0.8
127.03899	4.7
128.06201	0.5
129.06969	2.6
131.04926	5.4
131.08531	2.6
132.05696	1.4
133.02831	0.5
133.06462	10.7
133.10117	1.8
133.45448	0.4
135.04390	0.8
135.08011	3.2
135.11679	0.7
137.05956	11.1
137.09637	0.5
138.06721	0.6
139.07518	0.6
143.08557	0.9
145.02838	0.4
145.05003	0.6
145.06427	0.9
145.10092	0.9
147.04419	2.4
147.08015	0.5
147.11633	0.8
148.05141	1.7
149.05977	5.6
149.09622	0.8
149.13353	0.4
150.06725	3.1
151.07545	3.0
151.11191	0.5
153.05435	0.6
153.06969	0.3
153.09061	1.5
157.06477	0.9
157.10086	0.6
159.11679	0.8
161.05943	16.2
161.09575	4.3
163.03860	1.6
163.07510	8.6
163.11060	0.5
165.05450	2.6
165.06856	0.6
165.09093	6.7
167.07002	21.1
167.08414	0.9
169.06387	0.7
173.05957	0.4
174.06732	0.4
175.07547	1.7
175.11188	1.5
177.05421	2.3
177.09076	0.9
178.06116	0.7
179.07030	3.8
180.07820	2.3
181.06932	0.6
181.08569	10.7
184.07341	4.0
187.07516	0.7
189.05481	0.8
189.09073	9.4
191.06993	5.0
192.07851	1.4
193.08571	14.2
193.12238	1.7
195.10173	0.7
199.07550	0.6
201.09059	0.4
203.06972	0.8
205.08540	0.5
207.06465	1.5
207.10139	11.8
209.08060	2.9
211.07635	0.7
211.09636	16.2
211.11542	0.6
211.13264	1.5
221.08109	1.8
225.09196	0.4
227.07034	0.4
227.09071	1.7
231.06534	0.6
233.08064	3.4
249.07498	6.4
249.11253	0.7
257.08057	0.6
259.09653	0.8
267.08536	9.9
267.15817	3.6
273.11273	0.7
285.11310	0.6
287.09232	2.2
305.10220	0.6
315.12210	0.6
317.13910	0.6
341.14072	0.4
361.16406	10.3
373.16650	0.5
397.12964	0.5
427.13873	1.9
445.14771	1.4
459.27188	3.9
477.28384	2.3
691.38696	0.7
692.39111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
51.70913	0.4
52.32566	0.5
53.03931	3.8
55.01868	3.7
55.05497	0.9
57.03432	1.1
63.02370	0.5
67.05486	2.4
69.03403	4.5
69.07069	1.2
71.04968	0.7
71.66315	0.5
75.04481	0.6
77.03907	1.1
79.05468	10.7
81.03397	11.3
81.07037	4.0
84.79716	0.5
85.02888	8.4
87.04442	1.1
87.35111	0.5
87.68745	0.5
91.05453	10.0
92.08620	1.1
92.09209	2.8
93.07016	3.5
95.01299	0.8
95.04942	9.4
95.08583	2.2
97.02867	5.4
99.04452	0.7
101.42873	0.5
103.03918	2.8
103.05453	12.8
105.03371	73.9
105.07009	37.9
107.04935	6.2
107.08554	1.1
108.05698	1.3
109.02853	6.6
109.06521	3.0
109.10141	0.8
111.08044	0.8
111.27055	0.5
115.05438	3.1
117.07023	1.0
118.04148	12.6
119.04913	8.5
119.08559	1.2
120.05691	2.4
121.06476	2.9
121.10138	1.3
122.07257	3.4
123.04402	5.1
123.08044	3.3
124.05191	3.1
124.99991	1.1
125.05964	1.1
127.03888	3.2
131.04906	13.0
131.08533	0.7
133.02823	3.0
133.06465	38.6
133.10149	0.9
134.07254	2.3
135.04396	4.2
135.08028	9.3
135.11728	0.8
137.05949	19.2
137.09604	0.7
139.03763	0.6
141.06982	1.3
145.06416	0.9
146.03606	2.2
147.04364	6.1
147.08069	0.7
148.05148	1.3
149.05933	8.2
150.06735	24.1
151.03905	0.8
151.07544	7.4
157.10217	0.7
161.05945	7.9
162.06769	0.7
163.07501	16.6
163.08730	1.0
165.05441	2.9
165.09067	27.4
167.06985	24.4
169.05113	0.6
169.06448	3.3
175.07524	2.4
177.05405	2.4
178.06218	3.4
179.06970	6.4
181.08618	2.0
183.53281	0.5
184.07333	3.4
187.07553	1.2
189.09190	0.8
191.07056	2.6
193.08566	94.4
194.08952	0.8
195.10182	2.6
197.05968	3.0
201.09090	0.8
203.07022	4.9
205.08551	1.0
211.09618	100.0
213.11192	2.9
215.07001	2.2
225.05270	0.6
229.08589	3.6
233.08041	3.0
248.48001	0.7
249.07445	5.9
257.08017	8.8
267.08502	4.6
275.09067	2.3
295.86383	0.6
303.12186	0.7
321.13153	0.8
341.13843	0.9
361.16199	0.6
397.12729	3.0
415.13345	0.9
524.27722	0.6
688.63287	0.7
691.39307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73745	0.4
53.03923	0.5
55.05501	2.9
56.47413	0.4
57.03430	2.1
57.75961	0.4
61.02906	5.3
67.05492	9.8
69.03423	3.2
69.07049	2.4
71.04996	0.4
73.02892	4.6
79.05487	2.9
81.03413	1.1
81.07030	3.6
83.04968	0.5
83.08620	1.0
85.02898	5.7
91.03941	3.0
91.05465	2.7
92.08981	2.0
93.07034	3.2
95.08598	3.3
97.02863	6.4
99.04430	1.1
101.02359	2.1
103.03956	0.5
105.07024	1.0
107.08598	1.9
109.02866	0.7
109.10138	7.9
110.98274	0.4
117.07004	1.0
118.83798	0.4
119.08571	2.3
121.10152	1.1
127.03912	2.0
133.10136	0.6
135.11687	0.6
148.62363	0.5
149.13324	0.5
150.78607	0.5
173.11742	2.2
184.07440	0.7
195.09911	1.1
243.08411	2.1
325.11884	0.5
335.25934	0.5
413.17709	11.2
519.29181	5.5
519.37079	4.2
581.46918	0.6
691.40167	100.0
692.40485	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
54.68224	0.3
55.01865	0.6
55.05500	3.9
57.03426	3.0
57.07062	1.8
59.04982	0.3
61.02912	7.7
67.05488	9.6
69.03418	4.3
69.07052	3.0
71.04971	0.5
73.02901	6.4
79.05480	4.2
81.03397	2.6
81.07030	6.6
81.97733	0.3
83.04983	1.3
83.08599	2.3
85.02886	8.0
91.03946	4.0
91.05460	3.2
93.07021	5.4
95.04945	0.5
95.08583	4.5
97.02866	6.5
97.10165	0.8
97.56574	0.4
99.04450	1.5
101.02322	2.4
105.07042	1.6
107.04891	0.3
107.08571	2.6
109.02859	0.6
109.06503	0.8
109.10138	7.5
116.20174	0.3
117.07015	0.5
119.08566	1.4
121.10140	2.0
127.03893	2.3
129.05481	0.3
131.08562	0.6
133.10136	0.6
135.11711	1.5
145.10132	0.8
163.11151	0.6
173.11783	1.3
173.13190	0.4
184.07401	0.6
185.04207	0.4
195.09923	0.5
203.05246	0.6
203.10782	0.5
212.73778	0.4
243.08379	2.4
259.16882	0.6
260.17316	0.5
264.52252	0.4
294.50015	0.4
335.25995	0.5
368.33649	0.4
413.17706	6.3
519.29272	8.0
519.36816	6.8
691.40137	100.0
692.40454	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.5
55.01876	9.3
55.05502	24.2
57.03429	17.8
57.07069	1.3
59.04996	2.1
61.02911	5.5
67.05491	32.6
69.03414	2.9
69.07059	14.9
70.06582	1.2
71.04977	5.5
72.54177	1.1
73.02895	1.5
78.46130	1.0
79.05473	25.7
81.03387	14.1
81.07038	83.8
83.01316	8.5
83.04963	19.6
83.08598	20.9
85.02874	9.9
85.06524	5.7
91.05463	31.1
92.09058	5.8
93.07027	37.5
95.04957	11.0
95.08588	28.9
97.02872	7.5
97.06517	9.3
97.10157	1.8
99.04428	1.5
99.08100	1.7
103.05413	1.5
105.03392	4.4
105.07009	41.1
107.04928	11.4
107.08575	30.9
109.06525	10.8
109.10141	6.9
111.04403	1.7
111.08056	1.9
117.06973	7.1
119.08562	35.1
121.06473	6.3
121.10102	21.4
123.04401	1.6
123.08068	10.8
123.11681	24.9
125.05976	1.3
127.03873	2.1
127.07544	2.0
129.06979	2.8
131.08556	7.8
133.10118	6.7
135.08040	2.7
135.11682	13.7
137.09589	1.9
137.13248	2.2
145.10104	15.1
147.08035	1.8
147.11667	62.4
149.02339	2.1
149.09595	2.4
153.12775	2.5
155.08565	2.1
157.10149	2.3
163.11165	22.5
165.12723	20.7
173.09554	2.4
175.11018	1.9
191.10797	1.7
193.12138	1.9
209.11688	6.4
227.12791	2.5
229.14296	1.8
267.15845	59.9
267.18640	2.3
283.15359	67.8
285.16949	35.5
332.15555	1.3
447.21408	1.4
475.26651	2.6
493.27878	100.0
690.33972	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01617	0.7
55.01859	8.9
55.05499	22.4
56.28176	0.3
57.03421	20.1
57.07061	0.9
59.04982	2.9
61.02908	6.6
65.03903	0.5
67.05484	23.7
69.03412	4.7
69.07047	8.6
71.01312	0.5
71.04965	5.4
73.02889	1.7
73.06511	0.5
79.04995	0.5
79.05466	32.0
81.03390	57.9
81.07028	32.6
81.07533	0.5
83.01308	8.1
83.04456	0.7
83.04955	22.2
83.08591	25.8
83.87310	0.5
85.02879	26.6
85.06516	2.2
91.03931	2.3
91.05450	28.9
92.08796	2.0
93.07014	32.5
95.04935	24.1
95.08575	11.9
97.02853	6.9
97.06499	6.7
97.10146	5.3
97.40436	0.4
99.04426	2.5
99.08057	1.5
103.05436	0.4
105.03350	0.6
105.04459	0.5
105.06998	22.3
107.04919	10.6
107.08567	14.7
109.02848	0.6
109.06492	9.1
109.10122	4.7
111.04408	3.5
111.08039	8.1
113.05978	2.3
115.05428	1.4
117.06985	8.0
119.04941	0.5
119.08549	19.2
121.06474	3.2
121.10108	14.2
123.04411	0.6
123.08042	8.8
123.11674	0.9
125.05989	1.7
125.09608	1.8
129.06966	8.5
130.07747	0.8
131.08519	11.2
131.09433	0.6
131.88550	0.4
133.06477	1.7
133.10107	8.1
135.07983	2.5
135.11658	10.7
137.09538	2.6
142.07748	1.7
143.08559	0.7
145.06474	1.6
145.10089	14.7
147.08011	4.6
147.11646	10.6
149.09570	5.6
151.11084	0.5
153.12668	2.6
155.08569	0.9
157.10081	11.3
163.11133	20.6
165.12717	1.7
173.09602	2.8
175.11130	11.1
180.18092	0.3
181.12241	2.1
184.23045	0.4
191.10689	2.5
193.12183	27.7
197.85280	0.4
202.88159	0.3
208.80800	0.3
209.11642	3.8
211.13235	29.9
214.41075	0.4
227.12831	1.8
235.48528	0.4
265.14206	0.7
267.15817	6.8
283.15311	46.6
285.16873	24.6
383.22061	2.2
457.25525	3.7
475.26770	15.0
493.27817	100.0
494.28049	0.5
605.60303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.6
55.01868	5.2
55.05503	20.4
56.29428	0.5
57.03422	15.1
57.07057	1.3
59.04976	0.6
61.02894	3.4
61.03183	0.6
65.03909	0.9
67.05146	1.3
67.05490	28.2
69.03404	4.4
69.07052	11.2
71.04972	6.8
72.61266	0.5
73.02892	1.4
79.05469	41.0
81.03393	50.6
81.07033	37.5
83.01302	1.3
83.04513	1.0
83.04963	16.3
83.08597	26.7
83.09093	1.1
85.02359	0.9
85.02881	25.6
85.06525	1.3
91.03928	0.7
91.05455	30.1
92.09098	0.9
93.07016	46.7
95.04940	26.6
95.08578	43.1
97.02863	7.4
97.06493	6.9
97.10147	2.5
99.04446	4.7
99.08046	0.9
103.05444	0.6
105.03364	3.5
105.04530	0.5
105.07010	24.7
107.04939	14.8
107.08568	34.3
109.02843	0.9
109.06494	5.6
109.10144	4.7
109.70146	0.6
111.04418	4.5
111.08038	9.0
113.05963	2.4
115.05447	0.8
117.06992	11.0
119.08542	22.2
121.06454	7.7
121.10114	20.9
123.08056	4.0
123.11633	1.2
125.05968	4.1
127.03845	0.6
127.07560	1.3
129.06961	10.3
130.07729	2.9
131.08539	10.4
133.06447	3.5
133.10095	13.0
135.08000	3.5
135.11662	50.7
137.09592	1.0
139.07504	2.6
142.07713	1.4
142.31744	0.7
143.08496	0.6
145.08955	1.3
145.10095	32.0
147.08017	3.7
147.11641	12.4
149.09572	5.1
153.12685	1.2
157.10083	10.4
163.11139	66.0
165.12744	2.5
173.09535	0.8
175.11124	11.5
181.12215	11.3
191.10699	0.7
193.12196	29.5
209.11810	1.2
211.13243	26.6
227.12730	56.7
267.15823	19.3
283.15332	53.6
285.16895	38.1
319.57556	0.6
475.26865	26.5
475.33420	1.5
493.27847	100.0
494.27921	2.3
511.28119	0.7
547.16650	0.7
552.01117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27597	0.6
53.03941	6.0
55.01859	7.9
55.05502	12.1
57.03417	3.5
57.07078	1.0
60.33328	0.5
63.02330	0.7
65.03930	6.1
67.05492	8.4
68.69675	0.7
69.03416	9.5
69.07057	10.9
70.76826	0.7
71.01321	0.9
71.04965	2.8
73.02911	0.7
75.04462	8.8
77.03907	0.8
78.04692	4.3
79.05471	13.8
81.03397	18.1
81.07038	21.9
83.04967	3.8
83.08607	3.3
85.02889	17.3
85.06525	3.1
89.03900	2.6
89.05988	1.1
91.05460	40.5
92.09253	2.9
93.02905	0.5
93.03381	25.7
93.07025	26.9
95.04948	22.5
95.08583	18.2
97.02859	8.3
97.06506	11.2
97.10146	27.9
99.04440	4.7
103.03949	2.5
103.05447	30.9
105.03374	69.3
105.04524	4.0
105.07018	36.5
105.07739	0.7
106.04159	71.2
107.04947	5.6
107.08592	11.9
108.05750	1.2
109.02863	13.6
109.05830	0.6
109.06510	6.1
109.10142	13.4
111.04423	2.7
111.08056	2.8
111.11684	0.7
112.30657	0.6
115.05424	7.4
117.03371	2.9
117.07013	2.9
118.04130	4.4
119.04919	7.9
119.08565	8.5
121.06483	75.9
121.10115	8.4
122.03619	1.4
122.07283	0.7
123.04385	6.8
123.08094	4.6
123.11691	8.1
124.05157	1.5
125.05969	18.5
125.09628	5.1
127.03883	6.9
128.06177	0.8
129.07007	1.4
131.04912	44.1
131.08548	3.9
133.02832	27.7
133.06462	30.9
133.10121	4.8
134.03612	10.2
135.04402	4.1
135.08043	4.1
135.11717	4.7
137.05957	21.4
137.09602	1.6
138.06743	4.0
139.07533	8.2
139.11166	3.9
141.07007	1.4
143.06017	1.1
143.08475	1.0
143.10704	3.8
145.02788	4.9
145.06500	2.4
145.10065	5.3
146.03534	0.7
146.57710	0.6
147.04408	6.5
147.08075	2.6
147.11678	6.5
148.05179	8.9
149.05957	100.0
149.09578	1.5
149.13243	2.8
151.03870	2.7
151.07530	5.9
151.11154	0.9
151.14865	0.7
152.08281	1.1
153.05461	3.9
153.09081	29.1
153.12704	0.8
157.10071	2.6
157.12254	1.0
159.08072	1.4
159.11612	5.0
161.05949	40.6
161.09612	1.2
161.13248	3.1
162.06682	0.9
163.03860	5.8
163.07500	37.3
163.11163	3.6
165.05476	6.7
165.09094	4.3
165.12718	2.6
166.06235	3.2
167.07014	3.7
167.46442	0.7
169.05052	1.6
169.06468	2.5
173.09631	0.9
173.13231	1.0
175.07515	2.9
175.11191	2.4
175.14760	0.9
176.04668	0.9
176.08302	1.2
177.05429	42.5
177.09096	3.6
177.12679	1.1
179.06966	4.7
179.10735	0.8
179.14371	1.0
181.08563	30.1
183.08095	0.8
185.09683	0.7
187.07497	3.7
187.11264	0.8
187.14676	1.1
189.09091	1.4
189.12714	1.1
191.06990	36.8
193.08580	24.3
193.10330	0.9
197.05957	1.3
203.06938	1.0
203.14319	0.8
207.06516	1.0
209.08058	92.7
213.12834	0.9
229.08537	1.3
231.13731	0.8
233.08199	1.2
235.09599	2.5
249.07480	8.8
255.13861	0.6
257.08011	3.9
267.08441	4.7
285.22159	1.1
303.23129	1.2
321.24332	1.4
339.12039	0.7
341.13892	2.7
383.25793	0.7
397.12607	2.4
404.34003	0.7
411.24878	0.7
421.68521	0.7
429.26309	5.8
429.31213	0.7
435.26974	0.8
447.27435	9.7
453.28558	1.5
465.28305	12.9
483.29282	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.7
53.03937	3.7
55.01861	5.1
57.03420	1.5
58.30316	0.4
59.55856	0.3
61.02923	0.4
65.03912	3.8
67.01849	0.3
67.05486	1.7
67.18626	0.3
69.03406	2.8
69.07047	0.5
71.04961	0.7
73.02876	0.3
75.04462	7.3
77.03893	0.4
77.12000	0.3
78.04684	4.0
79.05476	6.3
81.03394	8.3
81.07038	1.9
82.78221	0.3
85.02888	9.2
88.42776	0.3
89.03902	2.0
89.06000	1.7
91.05455	22.8
91.59079	0.3
92.09114	0.7
93.03381	18.6
93.07017	12.8
95.04939	13.9
95.05410	0.4
95.08578	0.5
97.02869	4.7
97.06518	5.6
99.04416	0.8
101.80050	0.3
103.03936	1.4
103.05444	14.7
105.03368	44.4
105.04513	2.1
105.07010	13.1
106.04151	58.1
107.04955	3.7
107.08584	0.7
108.02068	0.4
108.05684	0.4
109.02868	3.6
109.06497	2.3
109.10129	0.4
110.03608	0.6
110.07342	0.3
111.04423	1.4
111.08028	0.5
115.05423	2.3
117.03371	2.4
117.52245	0.3
118.04125	1.6
119.04931	4.2
121.06476	61.9
122.03617	0.4
122.07253	0.7
123.04410	4.2
123.08007	2.3
123.11678	0.4
124.05157	1.8
125.05963	13.7
127.03860	4.3
131.04884	5.5
132.05737	0.4
133.02811	8.3
133.06465	12.1
134.03598	9.7
135.04375	3.4
135.08043	1.3
136.05203	0.4
136.14365	0.3
137.05949	11.7
138.06743	3.1
139.07512	5.7
141.06898	0.7
143.06001	0.7
145.02827	3.7
145.04912	0.4
145.06444	0.4
147.04323	3.2
148.05173	5.6
149.05951	85.2
151.03894	1.5
151.07516	4.2
152.08272	1.9
153.05492	3.6
153.09070	21.0
161.05936	18.9
163.03871	6.2
163.07487	8.2
165.05409	2.7
165.09113	0.7
166.06227	2.4
167.06984	2.0
169.04990	0.5
169.06436	1.4
174.57361	0.3
175.07495	0.7
176.04655	1.2
177.05424	32.8
177.08965	0.6
179.06944	0.8
180.07750	0.7
181.08542	28.6
187.07541	0.3
191.05234	0.6
191.06987	16.7
193.08559	11.6
197.05925	0.4
201.09019	0.6
203.07004	1.5
205.08508	0.4
207.06363	0.4
209.08047	100.0
210.08386	0.6
229.08577	1.5
233.08051	0.6
249.07455	5.6
257.08023	2.5
260.82516	0.3
267.08597	2.6
275.09122	0.4
308.06958	0.3
339.11969	0.6
341.13651	0.7
371.14899	0.5
378.83817	0.3
397.12738	1.3
409.11197	0.5
566.18243	0.3
655.59045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.4
53.03933	5.3
55.01675	0.4
55.01867	6.3
55.05502	7.3
57.03411	1.9
57.07062	0.4
61.02909	0.6
61.13030	0.4
65.03931	3.9
67.05492	7.3
69.03412	6.6
69.07053	7.8
71.04964	3.0
73.02887	0.9
75.04462	7.0
76.56740	0.6
77.03897	1.0
78.04688	3.8
79.05050	0.6
79.05474	10.2
79.74084	0.4
81.02933	0.7
81.03395	14.9
81.06595	0.7
81.07036	14.5
83.04970	0.9
83.08587	2.1
85.02885	11.5
85.06521	2.2
89.03896	2.0
89.06004	1.8
91.05460	27.8
91.88147	0.5
92.08772	0.9
92.09267	0.7
93.03384	18.9
93.07016	18.2
95.04948	16.5
95.08578	10.5
97.02865	7.1
97.06507	7.6
97.10144	9.7
99.04432	3.2
103.03926	0.9
103.05447	15.8
105.03371	50.8
105.04390	3.2
105.07006	23.7
106.04153	58.0
107.04957	4.6
107.08564	8.2
109.02861	7.0
109.06509	5.0
109.10143	7.3
110.03625	0.5
111.04420	2.7
111.08047	3.0
111.11668	1.0
115.05422	4.1
117.03341	2.4
117.06982	0.8
118.04137	3.0
119.04913	4.8
119.08566	4.8
121.02830	0.6
121.06479	65.2
121.10081	6.1
121.10683	0.4
122.03579	0.8
122.07297	1.0
123.04388	5.0
123.08016	3.8
123.11662	6.7
124.05154	2.0
125.05973	16.2
125.09604	2.8
127.03877	4.8
131.04922	8.0
131.08534	3.2
133.02829	7.4
133.05536	0.8
133.06477	16.9
133.10094	3.8
134.03615	8.4
134.44688	0.5
135.04384	2.1
135.08026	1.9
135.11635	3.4
137.05945	21.8
137.09543	0.8
137.13300	0.8
138.06747	1.9
139.07512	6.9
139.11148	2.7
141.06947	0.6
143.06035	1.0
143.08495	0.8
143.10672	1.0
145.02829	3.5
145.04951	0.5
145.06458	0.7
145.10141	3.6
147.04431	3.9
147.08044	0.9
147.11681	4.0
148.05176	5.8
149.05959	82.7
149.09555	1.1
149.13219	1.1
151.03891	2.2
151.07500	5.4
151.11229	0.6
152.08340	0.6
153.05444	3.4
153.09076	22.7
155.08472	0.5
157.10081	2.5
159.08057	0.8
159.11646	2.5
161.05949	27.0
161.09583	1.0
161.13275	1.8
163.03897	0.8
163.07503	8.8
163.11140	1.8
165.05421	3.2
165.09053	2.0
165.12732	0.7
166.06264	3.4
167.07050	3.2
169.06444	0.6
169.08565	0.5
169.09998	0.6
171.11555	1.5
173.05962	0.7
173.09558	0.8
173.13210	0.8
174.73129	0.5
175.07518	0.7
175.11163	0.7
175.14799	0.7
177.05435	34.5
177.08961	1.7
177.12770	0.8
179.06966	1.8
180.07742	0.7
181.08560	27.7
185.13194	0.6
187.07532	0.8
189.09041	0.6
191.06990	17.9
191.10739	0.6
193.06902	0.8
193.08565	15.9
201.05418	0.8
201.16232	0.6
203.06926	0.8
205.08463	0.6
209.08057	100.0
209.15291	1.1
217.08499	0.7
227.16367	0.7
229.08530	1.9
233.08061	0.7
249.07529	4.9
257.08017	1.8
267.08496	2.9
303.23083	1.9
321.24048	1.0
339.12366	0.7
339.16263	0.5
341.13757	0.5
365.13663	0.6
367.76694	0.5
397.12384	0.6
429.26727	1.5
447.27063	4.7
453.28110	0.7
465.28250	6.5
483.29337	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	690.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87531	0.1
53.03935	3.1
55.01859	0.6
55.05503	1.0
55.32393	0.1
57.03422	1.4
61.02915	0.3
65.03907	0.1
67.05486	1.5
68.08574	0.1
69.03410	6.5
69.07031	0.5
71.01316	0.2
71.04968	1.2
73.02888	0.2
77.03917	0.6
79.05470	6.5
81.03396	16.9
81.07027	1.9
83.01344	0.1
83.04958	0.8
83.08598	0.6
85.02884	8.0
85.06477	0.1
86.09675	0.2
91.05458	14.5
92.08553	0.2
92.09186	0.8
93.07021	1.6
95.04330	0.2
95.04943	6.6
95.08562	0.9
97.02864	9.2
97.06532	0.6
99.04436	2.6
105.03369	100.0
105.06966	1.5
106.03713	0.3
107.04924	0.7
107.08553	1.2
109.02856	9.6
109.06497	0.3
109.10133	0.6
111.04476	0.2
111.08035	0.1
115.03969	0.1
117.07015	0.2
119.08553	1.2
121.10095	0.9
123.04402	8.9
123.08036	0.3
127.03889	6.2
129.06960	0.3
131.08554	0.3
133.10127	0.7
135.08089	0.2
135.11699	0.7
136.11958	0.2
136.91739	0.1
137.05963	0.2
137.09644	0.1
145.02875	0.2
145.04929	1.6
145.10104	0.8
146.10468	0.2
146.54204	0.1
147.08017	0.2
147.11639	0.5
153.12741	0.2
157.10106	0.2
163.03889	0.9
163.11110	1.3
164.11533	0.2
165.05453	0.3
165.12750	0.2
169.42575	0.1
175.11150	0.3
177.18880	0.1
181.08545	0.1
183.74281	0.1
193.12228	0.9
195.06511	0.2
209.11684	0.2
211.13255	0.7
227.12859	0.6
231.06438	0.6
245.08009	0.2
249.07513	19.7
267.08563	17.6
267.15936	0.8
276.52435	0.2
283.15268	1.5
284.15524	0.2
285.16968	0.7
475.26816	0.9
484.16782	0.2
492.27106	0.2
493.27798	2.7
689.30890	0.3
690.31525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46052	0.1
51.02357	0.3
53.03939	4.4
55.01854	0.8
55.05490	0.8
55.36494	0.1
57.03416	1.3
59.24673	0.1
61.02908	0.3
64.33549	0.2
67.05487	0.8
69.03413	6.0
69.07035	0.1
71.01336	0.2
71.04964	0.8
73.02867	0.3
77.03905	0.4
79.05473	6.6
80.90801	0.2
81.03397	16.5
81.07038	1.3
82.67452	0.1
83.01315	0.3
83.04950	0.8
83.08618	0.6
85.02887	8.2
89.68292	0.1
91.05458	17.2
92.08985	1.2
93.07016	0.9
95.04947	5.9
95.08556	0.3
97.02872	10.0
97.06528	0.2
99.04427	2.0
101.41592	0.1
105.03371	100.0
105.07014	0.8
105.14845	0.1
106.03713	0.7
107.04947	0.3
107.08559	0.6
109.02860	8.8
109.03611	0.3
109.06509	0.2
109.10172	0.2
115.05429	0.2
119.08545	0.8
121.10082	0.3
123.04402	10.1
127.03892	5.1
129.06996	0.5
131.08525	0.3
133.10092	0.3
145.04903	1.3
145.10146	0.3
157.10103	0.2
163.11139	0.9
165.12714	0.1
167.03302	0.2
175.11185	0.4
193.12273	1.3
207.06433	0.2
211.13266	1.4
231.06519	1.0
249.07518	19.4
267.08572	19.3
283.15338	1.3
285.16986	1.0
475.27072	0.6
493.27832	3.8
613.82471	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	690.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.1
51.02363	0.2
53.00300	0.1
53.03935	3.1
55.01857	0.5
55.05513	0.1
57.03427	0.9
57.16715	0.1
61.02903	0.3
65.03912	0.1
66.66016	0.1
66.72491	0.1
67.05494	0.1
69.03413	6.5
69.07061	0.2
71.04966	1.0
73.02894	0.5
77.03534	0.1
77.03889	0.7
79.05467	4.6
81.03396	15.5
81.07021	0.4
81.87332	0.1
83.01327	0.1
85.02357	0.2
85.02885	7.5
91.05453	10.6
91.35357	0.1
92.09087	0.5
93.85455	0.1
95.04943	5.3
95.08567	0.1
97.02865	9.7
99.04427	2.0
101.02348	0.1
103.03888	0.1
105.03368	100.0
106.03703	0.7
107.04896	0.1
109.02854	9.6
109.10143	0.2
121.10077	0.1
123.04395	9.9
123.11645	0.1
127.03886	6.0
135.11676	0.1
142.19420	0.1
145.04910	1.2
149.02296	0.2
154.10080	0.1
165.05441	0.3
167.03366	0.7
171.07875	0.1
175.03917	0.1
179.03423	0.1
195.06476	0.2
203.03354	0.2
207.06570	0.1
231.06465	0.8
233.04425	0.1
245.04324	0.3
245.08061	0.1
249.07512	19.1
257.07950	0.1
267.08560	16.0
268.08823	0.1
269.08038	1.0
287.09149	0.2
293.07956	0.4
311.09052	0.6
323.09131	0.2
335.09119	0.6
353.10107	0.6
371.11096	0.7
389.12085	0.4
431.31613	0.1
475.27103	0.1
493.27661	0.4
655.69507	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	690.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.2
53.03935	3.2
55.01875	0.4
55.05505	1.2
57.03427	0.4
59.96478	0.2
61.02898	0.3
63.73469	0.2
64.33024	0.2
65.03921	0.2
67.01858	13.6
67.05490	1.3
69.03413	2.7
69.07053	1.4
69.97694	0.2
70.06580	0.2
71.04984	2.8
73.02909	0.3
76.84977	0.2
79.05470	2.7
81.03407	6.8
81.07040	3.2
83.04967	0.5
83.08573	0.3
85.02896	3.8
85.06535	0.3
86.09733	0.2
89.03890	3.9
91.05472	2.9
92.08984	1.9
93.03392	1.0
93.07029	3.2
95.04946	3.0
95.08593	3.0
97.02871	4.2
97.06522	1.1
97.10149	0.4
99.04432	6.2
103.05443	0.6
105.03381	6.1
105.07030	2.7
106.04180	3.0
107.04931	2.0
107.08601	2.1
109.02866	10.0
109.06516	1.0
109.10165	1.9
111.04442	1.0
111.08081	1.0
117.03368	6.2
119.04919	0.4
119.08588	1.7
121.02839	1.3
121.06487	3.6
121.10127	1.3
123.04408	0.9
123.08090	0.3
123.11656	0.5
125.05984	0.6
125.09589	0.4
127.03899	44.4
129.06947	0.3
131.04922	0.5
133.02823	0.4
133.06421	0.7
133.10088	1.2
134.03648	0.3
135.04393	15.3
135.07985	1.0
135.11653	0.9
137.05977	2.4
137.09624	0.3
139.03844	0.3
139.11163	0.2
145.02843	15.0
145.10086	1.2
147.04414	1.3
147.08014	0.4
147.11644	1.1
149.05971	4.8
149.09587	0.4
149.13226	0.3
151.03882	0.3
151.07506	1.0
151.11192	0.3
153.09067	1.1
157.10107	0.3
159.08026	0.2
159.11653	0.4
161.05980	1.4
161.09653	0.3
163.03882	100.0
164.04300	0.4
165.09087	1.4
165.12755	0.2
166.06343	0.2
167.07013	0.9
169.04959	3.9
171.11707	0.3
177.05453	4.0
179.06979	0.2
180.20346	0.2
181.04869	0.3
181.08571	2.0
187.05992	0.4
191.06979	1.2
192.70872	0.2
193.08609	0.3
209.08044	4.1
271.05704	0.4
289.07031	11.6
325.09036	0.5
409.11221	10.5
465.28772	0.2
484.74060	0.2
603.10712	0.3
640.38959	0.3
689.48627	1.3
690.49060	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31292	0.1
52.53447	0.1
53.00273	0.1
53.03931	0.4
55.01840	0.1
55.05488	0.6
56.91771	0.1
57.03420	0.2
59.74250	0.1
63.97272	0.1
64.32487	0.1
67.01849	0.9
67.05480	0.6
69.03419	0.8
69.07040	0.7
69.67181	0.1
70.06555	0.1
71.04955	0.2
74.09702	0.1
79.05470	0.8
81.03396	2.4
81.07040	1.0
83.04962	0.2
84.08112	0.1
85.02889	0.7
85.06519	0.2
89.03350	0.2
89.03883	2.4
91.05434	0.4
92.09071	0.2
93.07017	1.4
94.07322	0.1
95.04932	0.5
95.08583	0.7
97.02863	9.5
97.10132	0.6
98.97578	0.1
99.04417	0.7
105.03352	1.2
105.06989	0.6
107.04930	1.5
107.08553	0.9
109.02856	4.7
109.06469	0.2
109.10154	0.9
111.08022	0.1
117.03349	4.2
117.04145	0.2
119.04949	0.1
119.08562	0.4
121.02794	0.2
121.06478	0.1
121.10110	0.5
123.04366	0.2
123.11653	0.2
125.09599	0.2
125.37605	0.1
127.03893	4.9
131.08589	0.2
133.10098	0.2
135.04387	11.9
135.11601	0.2
137.05917	0.5
137.09648	0.2
139.03886	0.7
141.07144	0.1
143.08536	0.1
145.02823	11.7
145.10077	0.2
147.04375	0.6
147.11650	0.1
149.05972	0.1
151.11116	0.2
153.12677	0.1
159.11644	0.1
162.81026	0.1
163.03865	100.0
164.04219	0.6
165.09019	0.1
165.12761	0.1
167.06981	0.1
169.04927	0.5
177.05437	0.2
181.04863	0.1
186.05486	0.1
187.06059	0.1
229.06949	0.1
237.02762	0.2
256.12247	0.1
267.08652	0.1
279.03738	0.2
289.07007	0.5
304.12723	0.1
367.10153	8.9
380.44025	0.1
383.16345	0.1
457.27597	0.2
687.01361	0.1
689.62122	0.1
690.37238	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81370	0.9
57.07030	1.0
59.08589	0.8
60.08148	9.8
64.33047	0.7
70.53552	0.9
71.07357	2.0
78.62748	0.8
86.09689	52.1
92.08875	1.4
93.07024	1.0
98.98431	4.4
104.10726	3.4
114.55849	1.0
119.27314	0.9
124.99982	35.7
133.10193	1.0
168.39238	0.9
184.07300	100.0
184.59807	0.8
210.79909	0.8
253.45445	0.8
276.87784	0.9
535.81488	1.0
688.45203	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.05487	2.0
57.82578	2.0
58.42292	1.8
63.60905	1.8
67.05481	3.1
69.07040	3.0
79.05478	3.3
81.07034	4.3
86.09691	2.2
87.17951	2.2
88.92701	1.9
89.06025	3.9
89.72422	1.9
91.05495	2.1
92.08845	3.7
93.06969	2.2
93.30512	2.2
95.08592	2.3
105.06994	3.2
107.08565	3.6
109.10134	3.1
119.08538	2.8
183.21886	1.9
184.07248	3.1
184.55550	2.1
364.97763	2.7
385.13129	4.4
398.13330	4.5
399.14609	16.4
400.15213	33.2
412.15182	10.0
413.16138	26.8
414.16986	16.2
418.17358	2.8
426.16367	2.7
427.18134	16.9
428.18439	27.7
429.19617	15.4
441.15292	14.5
442.16040	16.1
455.16986	54.1
456.17548	27.7
459.16409	9.0
473.17877	3.2
483.16531	38.4
484.16660	9.3
499.15872	17.3
500.16397	2.9
511.19717	10.0
527.15466	41.8
528.15674	22.4
539.18896	12.1
543.22278	39.7
547.39038	2.6
571.21704	100.0
572.21527	3.9
574.23846	8.9
601.23077	17.3
602.23767	28.6
615.20270	4.8
629.22308	57.3
630.22656	66.4
657.21765	59.3
661.24542	11.0
689.24506	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.8
53.03939	6.8
54.12318	0.6
55.01862	4.8
55.05500	23.9
56.46565	0.6
57.03429	18.6
61.02905	1.4
62.62638	0.6
65.03926	1.0
67.05492	55.5
69.03415	4.5
69.07052	13.4
71.04971	5.0
73.02896	2.8
73.06537	1.3
75.88195	0.6
79.05473	81.2
81.03399	70.5
81.07039	55.7
81.07528	1.2
83.04964	28.6
83.08597	27.3
85.02886	24.2
85.06509	4.2
91.05460	73.1
93.07023	66.0
93.07637	1.0
95.04946	42.8
95.08585	30.5
97.02859	5.2
97.06517	6.2
97.10155	7.2
99.08105	1.5
101.06018	1.2
103.05442	0.8
105.03389	1.4
105.04527	1.8
105.07010	55.4
107.04945	13.3
107.08573	21.2
109.06502	10.3
109.10157	6.4
111.04427	1.1
111.08046	11.4
113.06034	1.1
115.05453	3.3
117.07008	7.9
119.08558	41.9
121.06467	5.3
121.10120	10.1
123.08030	7.2
123.11739	1.7
125.09624	1.2
127.03923	0.8
127.07575	1.0
128.06186	1.3
129.06981	25.5
131.08530	14.9
133.06474	4.6
133.10107	18.8
135.11633	1.2
137.09590	1.5
142.07770	3.4
143.08540	5.9
145.10123	10.6
147.08047	5.3
147.11659	39.4
149.09604	7.7
156.09349	0.9
157.10097	14.1
161.09596	3.9
161.13239	7.9
162.16310	0.7
163.11105	0.8
165.12759	1.6
169.10124	0.7
171.11653	16.7
175.11148	13.5
189.12688	7.2
193.12213	32.4
207.13808	12.0
211.13258	28.0
249.14722	0.7
267.15857	27.8
281.17404	41.5
285.16922	29.0
339.21609	0.8
473.28888	100.0
474.29269	3.0
491.29962	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16164	0.2
53.03914	1.8
55.01862	9.7
55.05500	17.5
57.03425	15.0
57.03687	0.6
57.07035	1.1
59.04985	3.5
59.28708	0.2
61.02910	5.5
63.01082	0.2
65.03884	0.3
67.05489	13.3
69.03416	2.5
69.07053	4.5
71.01309	1.6
71.04977	4.8
71.08556	0.3
73.02854	1.5
79.05469	23.8
81.03394	12.6
81.07031	20.6
83.01321	12.2
83.04960	14.6
83.08600	14.7
85.02889	10.0
85.06484	1.6
87.04460	0.2
91.03931	2.4
91.05453	13.7
92.08726	0.7
92.09324	0.9
93.07017	30.7
94.07256	0.3
95.04939	8.0
95.08012	0.4
95.08579	8.8
96.05213	0.3
97.02264	0.3
97.02858	5.8
97.06510	5.9
97.10116	1.6
99.04411	3.9
99.08048	0.4
103.05371	0.3
105.02814	0.3
105.03369	5.9
105.04459	0.3
105.06284	0.3
105.07005	11.2
106.03658	1.5
107.04935	10.4
107.08569	16.2
109.02826	1.1
109.06493	8.3
109.10142	2.3
111.04429	3.1
111.08060	2.3
117.06989	10.2
119.08551	11.3
121.06470	3.6
121.10117	10.0
122.10436	0.3
123.04375	1.5
123.07153	0.5
123.08035	10.9
123.11610	0.5
125.05961	2.1
125.09564	1.4
127.03841	1.0
129.06956	1.7
130.07716	1.4
131.04855	0.4
131.08551	4.3
132.08820	0.3
133.10098	2.6
135.08034	2.8
135.10641	0.5
135.11662	14.5
137.09595	2.5
139.07495	1.1
139.61519	0.3
143.08482	1.4
145.06410	1.5
145.10094	19.0
147.08029	3.4
147.11641	0.5
149.05943	0.5
149.09557	1.3
151.11162	0.4
153.12688	3.9
155.08482	1.7
163.11143	30.6
173.09581	3.8
181.12202	3.8
191.10666	2.9
194.88820	0.2
209.11684	5.8
211.32918	0.3
227.12732	3.6
249.07524	0.6
265.14264	0.3
267.08655	0.4
283.15326	100.0
284.15564	1.3
454.73218	0.3
473.25589	0.4
491.26266	53.3
492.26440	1.1
501.09851	0.3
620.27948	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
54.29383	0.6
55.01875	8.0
55.05260	1.2
55.05504	16.9
56.96600	0.6
57.03428	14.1
57.07063	0.9
59.04992	2.9
60.31506	0.6
61.02912	1.2
63.23651	0.7
65.03924	0.7
67.05490	18.9
67.67318	0.6
69.03406	8.3
69.07053	10.9
71.04982	6.6
73.02892	1.3
77.03939	0.9
79.05475	39.5
81.03400	22.7
81.07038	29.8
83.01320	9.7
83.04960	10.7
83.08610	14.9
85.02893	12.3
85.06547	1.7
86.09732	0.7
91.03924	0.9
91.04947	1.4
91.05463	19.6
93.07023	49.2
95.04943	17.2
95.08582	37.9
97.02873	12.8
97.06525	7.3
97.10144	1.8
99.04443	8.2
103.05475	1.1
105.03374	78.0
105.07018	20.5
106.03729	2.7
107.04942	12.3
107.08577	31.6
108.08949	1.2
109.02855	9.6
109.06509	6.5
109.10148	6.4
111.04425	3.2
111.08048	3.1
113.09667	1.1
117.07014	13.0
119.04971	0.8
119.08557	14.9
121.06481	8.1
121.10114	19.4
122.10513	1.0
123.04413	8.0
123.08063	9.0
123.11663	1.7
125.05987	3.7
125.09596	1.2
127.03904	5.3
129.06998	1.4
129.55249	0.9
130.07785	1.7
131.08537	3.8
133.10110	4.0
135.08034	4.8
135.10641	1.7
135.11671	48.3
137.09586	1.7
139.07541	1.3
143.08595	1.1
145.04922	1.2
145.10104	42.6
147.04390	1.7
147.08049	1.7
147.11670	1.0
149.09599	1.1
149.13184	0.9
153.12784	1.8
155.08516	1.3
157.10158	1.1
163.03915	1.2
163.11148	75.4
173.09608	4.9
175.05701	0.8
181.12178	9.8
184.07312	0.9
209.11713	3.9
227.12738	42.7
232.13286	0.8
249.07512	13.8
267.08618	11.5
283.15350	100.0
335.47324	0.8
491.26297	91.4
492.26282	1.5
649.01733	0.8
688.32263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19769	3.4
55.05494	6.5
57.07063	61.3
66.65889	3.1
67.05476	8.4
69.07043	6.7
71.08607	40.3
73.06539	6.1
81.07027	7.5
83.08580	6.4
85.10158	33.9
87.04429	6.1
89.05466	4.4
89.06009	100.0
92.08985	34.7
95.08589	4.0
100.04765	3.8
119.08517	4.2
121.10107	3.7
133.08566	47.1
147.91113	4.0
177.11183	15.5
188.98669	4.3
225.04117	4.6
269.84973	4.3
299.29449	5.4
526.82343	4.2
646.24829	4.7
669.50586	21.2
686.54266	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
53.81218	0.6
55.01870	1.6
55.05502	16.4
57.03419	3.1
57.06809	0.8
57.07065	10.8
57.20826	0.6
59.04977	1.3
63.75987	0.6
67.05488	23.0
68.44468	0.6
69.03415	6.3
69.07050	49.5
70.07361	0.8
71.04969	2.7
71.08628	1.4
73.06524	1.1
79.05476	10.2
81.03406	1.6
81.07034	100.0
82.07359	0.7
83.04972	1.2
83.08597	16.6
85.02883	10.5
85.06532	20.7
85.10152	0.7
91.05457	3.7
92.08817	2.2
92.09316	0.8
93.07017	29.1
95.04988	1.1
95.08578	74.9
96.08898	1.0
97.02873	4.6
97.06501	7.5
97.10132	6.2
99.08068	12.1
105.03371	4.0
105.06999	7.1
107.08575	31.6
109.02876	1.1
109.06537	1.1
109.10132	36.2
110.07101	0.9
111.08058	22.2
111.11697	11.5
113.09624	1.1
119.08569	4.6
121.10114	18.1
123.11679	31.7
124.11986	0.7
125.09589	5.1
127.03876	1.4
127.11162	3.6
131.08524	0.7
133.10101	3.4
135.11667	12.7
137.05952	1.1
137.13231	22.6
137.14235	1.2
139.11182	3.8
145.10118	0.8
147.04391	0.9
147.11685	4.1
149.13234	25.4
151.14795	1.6
153.12717	10.9
155.14272	3.1
161.09518	0.7
161.13271	1.5
163.14778	6.8
165.12718	0.9
165.16389	0.9
167.14281	4.5
171.13669	1.5
173.15340	1.3
177.16374	3.1
190.88457	0.9
191.17960	0.9
205.19489	1.3
223.20534	1.5
241.21498	1.3
257.20895	1.1
272.15961	0.7
273.25659	1.5
279.26779	4.7
291.26797	13.8
297.27802	4.3
307.26257	1.0
308.26740	1.0
309.27832	37.5
315.28882	4.1
327.28839	7.5
345.29913	20.9
623.00037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01863	0.7
55.05500	13.2
57.03426	17.0
57.03694	0.9
57.07066	1.9
57.86426	0.4
59.04992	4.2
61.02913	5.4
61.76127	0.4
65.03928	2.1
67.05489	100.0
69.03429	0.8
69.07046	7.9
69.07392	0.5
69.20760	0.4
71.04978	3.1
73.02895	1.0
74.74978	0.4
74.75404	0.4
79.05467	21.4
81.03419	0.6
81.07034	37.5
83.04968	0.9
83.08601	8.3
85.02875	4.5
85.06522	2.8
91.03957	2.1
91.05460	12.8
92.08969	0.6
93.07021	27.1
95.04961	2.2
95.08580	28.7
97.02876	2.9
97.06461	0.6
97.10129	1.7
99.04442	0.5
99.08068	1.8
105.07000	7.5
107.08578	15.5
109.06523	1.0
109.10139	68.8
111.08076	2.8
117.07001	3.1
119.08567	10.1
121.10120	9.2
123.11676	2.8
125.09589	0.8
131.08560	4.5
133.10100	4.3
135.11696	6.4
136.53966	0.4
137.09625	3.5
138.12225	0.5
145.10109	3.4
147.11646	1.1
149.13243	3.4
155.10631	3.7
159.11613	3.3
161.13260	2.3
163.14809	2.6
173.11732	13.4
173.13237	2.6
175.14732	0.7
187.14839	0.8
227.12811	1.1
229.14304	44.5
230.14629	0.5
243.21060	2.1
261.22046	11.3
317.24652	0.9
335.25723	48.3
336.26236	0.5
397.31268	0.5
415.32074	0.6
471.34357	0.8
489.35596	38.6
507.36685	2.7
650.41193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04905	0.4
53.00298	0.4
53.03938	0.5
55.01863	0.5
55.05502	14.9
57.03424	15.6
57.07062	2.2
59.04990	4.7
61.02909	6.0
65.03909	1.7
66.69499	0.4
67.05489	100.0
68.05849	0.4
69.03421	0.9
69.07049	7.1
71.04980	3.0
73.02880	0.9
74.65578	0.4
77.30933	0.4
79.05468	19.6
81.03389	0.5
81.07034	41.3
83.04973	0.9
83.08601	8.9
85.02889	4.1
85.06522	3.8
91.03932	1.6
91.05460	13.7
92.09114	0.7
93.07016	26.9
95.04977	1.9
95.08576	24.6
97.02884	2.8
97.06512	1.6
97.10161	1.6
99.08112	0.6
105.07008	7.7
105.70069	0.4
107.08576	14.1
109.06502	0.9
109.10135	78.4
111.08094	3.1
117.06979	3.1
119.08553	10.3
121.10108	10.0
123.11684	2.6
125.09611	1.7
127.03921	0.5
131.08531	5.8
131.09254	0.3
131.59810	0.4
133.10094	3.2
135.11676	5.8
137.09610	3.0
145.10068	4.0
147.11659	3.5
149.13231	4.5
155.10641	3.8
159.11688	2.5
161.13242	2.5
163.14845	2.1
171.11702	0.6
173.11723	14.9
173.13245	2.6
175.14900	0.6
177.16394	0.7
201.16245	0.4
227.12808	2.1
229.14294	51.4
230.14677	0.6
243.20982	3.5
261.22101	10.3
317.24896	2.5
335.25720	38.3
336.26123	0.6
397.30997	0.6
471.34653	1.6
489.35596	26.3
490.35611	0.8
507.36636	3.1
662.70306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.2
51.02370	0.5
53.00286	0.2
53.03710	0.2
53.03939	3.1
55.01854	0.6
55.05499	2.1
55.58637	0.1
57.03411	0.9
57.07052	0.8
57.29575	0.1
59.04990	0.1
60.44809	0.1
61.02901	0.5
65.03888	0.2
66.90941	0.1
67.05485	2.5
69.03410	7.3
69.06701	0.2
69.07046	2.5
71.01331	0.2
71.04976	1.1
71.08607	0.2
73.02894	0.2
76.56207	0.1
77.03912	0.6
77.27592	0.1
79.05473	6.8
81.03394	12.8
81.07030	5.5
83.08609	2.0
85.02885	8.2
85.06534	1.9
91.05447	1.3
92.09167	0.2
93.07018	5.2
95.04942	7.3
95.08577	4.7
97.02863	8.2
97.03492	0.3
97.06520	0.2
97.10145	1.3
99.04413	1.6
99.08056	1.5
103.03887	0.2
105.03368	100.0
105.06979	2.1
106.03707	0.9
106.92499	0.1
107.08570	6.1
108.04469	0.3
109.02131	0.3
109.02855	6.9
109.06530	0.5
109.10130	5.1
111.04366	0.3
111.08083	0.2
113.09606	0.2
115.03886	0.2
117.06995	0.3
119.04912	0.6
119.08573	1.3
121.10110	3.6
123.04398	10.2
123.08015	0.2
123.11668	3.4
125.09586	0.3
127.03885	5.6
129.18108	0.1
131.08540	0.8
133.06442	0.2
133.10080	0.9
135.08029	0.2
135.11664	3.2
137.05937	0.2
137.13249	0.6
143.08560	0.2
145.04910	1.4
145.10109	0.6
147.04369	1.3
147.11569	1.0
149.05946	0.1
149.12022	0.2
149.13214	5.6
149.14330	0.2
151.11143	0.1
155.08530	0.2
157.10149	0.2
159.11662	0.6
161.09589	0.2
161.13237	0.5
163.14844	0.7
165.05565	0.2
169.08679	0.2
169.10138	0.2
171.11661	0.3
173.13248	0.2
177.09053	0.1
181.10121	0.2
183.11710	0.2
183.38498	0.2
185.13309	0.2
187.14766	0.3
191.17975	0.2
195.06564	0.2
195.11702	0.2
197.13242	0.2
199.14751	0.2
201.16432	0.2
203.17830	0.2
205.19473	4.0
211.14830	0.2
223.20537	2.7
227.17990	0.2
229.19562	0.2
231.06491	0.9
232.69913	0.1
235.20485	0.2
237.07524	0.3
241.21799	0.2
245.19052	0.2
249.07498	11.9
255.17467	0.3
263.19806	0.1
267.08551	12.5
268.08810	0.2
295.20499	0.3
313.21585	0.9
331.22678	0.9
425.91293	0.2
435.25366	0.3
446.08646	0.1
453.26141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52994	0.7
53.00303	1.3
53.03929	5.9
53.48289	0.9
55.01857	5.8
55.05505	21.3
57.03426	10.4
57.07079	1.1
59.04974	1.2
61.02927	1.5
65.03927	0.8
67.05145	1.1
67.05489	30.0
69.03410	4.9
69.07042	9.3
71.01374	1.0
71.04965	1.8
73.02892	1.2
79.05471	54.3
81.03391	12.4
81.07034	37.7
83.01312	5.2
83.04958	13.7
83.08612	10.1
85.02882	6.0
85.06516	4.6
91.03974	1.1
91.05457	39.5
92.08958	0.9
93.07020	51.5
95.04948	19.5
95.08573	20.9
97.02848	4.7
97.06496	8.7
97.10139	2.0
99.04420	1.6
99.08085	1.5
105.03381	9.4
105.04491	1.5
105.07006	26.4
107.04308	1.0
107.04929	9.2
107.08583	16.8
109.06472	8.1
109.10143	7.0
111.04443	1.2
111.08039	1.3
117.06982	11.0
119.04896	1.5
119.08559	21.2
121.06445	5.8
121.10110	8.1
123.08031	6.3
123.11713	1.2
125.09605	1.5
128.06178	1.7
129.06961	12.3
131.08543	5.9
133.06461	1.2
133.10077	7.7
135.08015	1.6
135.11647	7.4
143.08519	8.1
145.10089	18.6
147.04405	11.1
147.08058	1.5
147.11661	20.9
153.12730	1.6
155.08525	1.4
157.10023	1.3
161.09587	1.5
161.13246	6.0
163.11183	13.1
171.11658	13.7
173.09560	1.6
185.13254	0.9
189.12708	2.1
200.44859	1.0
207.13713	12.7
223.14900	1.5
227.12735	1.3
281.14426	1.7
281.17422	36.3
283.15338	23.6
361.90054	1.2
471.27301	5.1
489.28366	100.0
490.28873	1.4
646.23370	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.2
53.03940	3.0
54.08436	0.2
55.01862	0.4
55.05507	0.2
57.03428	2.5
61.02898	0.8
64.33549	0.2
67.05483	0.8
69.03412	7.0
69.07046	0.9
71.04981	1.1
73.02901	2.5
77.03924	0.4
78.73684	0.2
78.89297	0.2
79.05050	0.4
79.05472	6.2
79.05901	0.4
81.03401	13.2
81.07030	1.0
83.04952	0.3
85.02887	11.1
85.90432	0.2
91.05467	3.3
92.08711	0.4
92.09290	0.4
93.07037	0.7
93.34014	0.2
95.04948	4.1
95.08585	1.1
97.02866	8.6
99.04421	1.7
105.03371	100.0
105.07003	1.0
107.08562	1.1
109.02859	9.9
109.10125	0.3
111.08041	0.2
114.37116	0.2
115.03902	0.3
119.04917	1.6
119.08546	0.3
121.10136	0.3
123.04404	11.3
123.08068	0.2
127.03895	7.6
129.06946	0.3
131.08549	0.2
133.06445	0.2
133.10092	0.3
137.07993	0.3
137.09660	0.6
145.04955	1.2
145.10130	0.2
147.04373	4.7
147.11736	0.3
231.06476	1.7
249.07521	26.4
261.28259	0.2
263.62344	0.2
267.08572	28.2
268.08862	0.3
429.13724	0.3
439.00739	0.2
674.38330	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
54.82007	0.4
55.01847	0.9
55.05503	4.0
57.03424	2.0
57.07058	0.6
61.02911	0.5
67.05496	5.4
67.27959	0.4
69.03414	7.6
69.07054	6.3
71.04976	2.7
79.05468	6.0
81.03395	14.5
81.07035	9.9
83.04964	0.5
83.08602	3.1
84.56192	0.4
85.02893	9.6
85.06527	38.7
86.84816	0.5
91.05436	2.9
92.08987	2.7
93.07037	4.6
95.04950	6.8
95.08577	12.0
95.69662	0.5
97.02860	7.0
97.06514	1.1
97.10155	2.0
99.04432	2.4
99.08064	2.9
105.03373	100.0
105.06992	0.9
106.03722	0.5
107.08558	4.8
109.02862	7.6
109.10137	11.7
113.09636	0.6
119.04896	1.8
119.08558	2.1
121.10140	4.6
121.80687	0.5
123.04412	10.4
123.11681	9.5
127.03889	5.2
131.08557	0.7
133.10136	1.0
135.11670	3.6
137.13240	0.9
141.12689	0.8
147.04398	5.1
149.13275	3.5
153.10237	0.4
163.14796	0.8
175.11194	0.5
197.69397	0.4
205.19551	3.2
205.46245	0.5
223.20461	4.4
231.06467	0.7
241.21571	19.1
249.07513	13.8
267.08591	14.4
274.27029	0.8
423.58313	0.5
571.54840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66814	1.6
56.15194	1.6
57.62244	1.7
67.05492	1.6
73.04754	3.4
74.31950	1.9
81.35339	2.3
91.05798	4.8
92.08800	4.8
92.09329	3.4
94.10285	1.8
111.45123	1.9
136.87489	1.8
137.45387	2.0
270.72568	2.2
547.99084	2.4
641.83673	2.5
649.42810	2.1
685.43481	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	686.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03939	3.0
55.01858	0.3
55.05501	0.3
57.03422	2.0
58.60480	0.2
58.91522	0.1
61.02907	0.8
67.05509	0.4
68.22294	0.1
69.03419	7.8
69.07059	0.4
70.06589	0.2
71.04971	0.8
73.02892	2.3
77.03897	0.4
79.05051	0.3
79.05476	5.4
80.07476	0.1
81.03400	13.3
81.07029	1.1
83.04963	0.3
85.02892	10.9
85.06528	0.2
91.05458	3.2
92.09007	1.0
93.07038	0.8
95.04948	4.6
95.08586	0.9
97.02870	9.0
97.10119	0.2
99.04424	2.6
103.03957	0.3
105.03374	100.0
105.07017	0.7
106.03711	0.8
107.08567	0.7
109.02859	9.6
109.10158	0.9
115.03896	0.6
119.04923	1.4
119.08591	0.3
121.10129	0.4
123.04409	11.8
123.11678	0.3
127.03886	6.6
127.04807	0.3
129.03470	0.2
131.08521	0.2
133.10118	0.7
135.11707	0.2
135.82133	0.2
137.05965	0.2
137.09615	0.2
145.04987	1.5
147.03316	0.3
147.04399	4.8
147.11693	0.2
163.03900	0.2
165.05440	0.2
165.76517	0.2
167.06940	0.2
175.11198	0.2
177.05431	0.2
177.09055	0.2
177.12831	0.2
179.10527	0.2
197.68666	0.2
203.47198	0.2
223.05887	0.3
223.15657	0.2
224.18750	0.2
231.06535	1.4
249.07526	22.7
250.07805	0.2
267.08572	26.9
309.09714	0.2
471.29117	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20325	0.9
55.05498	1.3
57.03409	1.0
57.07058	1.0
57.12941	0.7
57.49582	0.8
59.09343	0.9
65.27740	0.9
67.05499	1.5
69.07011	1.0
81.03410	1.5
81.07011	3.4
82.43257	1.0
83.08590	1.1
93.07001	1.0
95.08601	1.7
123.11647	0.9
125.19736	0.9
133.10056	1.0
158.51671	0.9
166.55772	0.9
193.12184	1.3
287.07254	2.0
421.29810	1.1
569.32727	4.0
685.37439	100.0
686.38702	1.4
705.00269	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16827	0.7
51.75837	0.7
55.05512	0.9
56.01781	0.7
57.07072	1.0
63.69456	0.8
67.05503	1.6
68.19976	0.8
73.33245	1.0
79.55565	0.8
81.07040	3.6
92.08592	1.8
92.09212	5.2
93.15954	0.9
95.04910	0.8
95.08582	1.9
105.07028	1.3
112.18264	0.9
127.98755	0.9
208.93102	0.9
243.04691	21.5
245.06265	100.0
296.46463	0.9
320.85919	0.9
426.04282	1.0
452.03317	0.8
685.42780	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.6
53.03928	1.0
54.81547	0.5
55.01855	3.0
55.05501	0.8
57.03419	1.4
57.07051	0.9
57.49695	0.4
61.02900	0.6
63.17744	0.7
65.03912	1.2
66.47606	0.5
67.05473	3.4
69.03414	6.5
69.07037	2.9
69.71553	0.5
71.04965	1.4
71.78195	0.5
73.02910	1.0
77.03898	1.0
79.05461	5.1
81.02930	0.7
81.03391	10.9
81.07031	5.7
83.04937	1.3
85.02884	8.3
85.06533	0.7
85.61166	0.7
87.04436	0.9
89.03894	7.9
91.05453	25.1
92.09137	4.3
93.07014	5.9
94.07386	0.6
95.04947	5.3
95.08571	4.2
97.02856	3.4
97.06512	1.3
99.04427	2.5
102.04675	1.0
103.05438	3.5
105.03365	10.5
105.07010	11.7
106.07314	0.7
107.04923	2.8
107.08576	4.9
109.02834	4.0
109.06505	2.4
109.10118	4.4
111.04403	2.7
111.08070	0.7
115.05412	3.7
116.04959	9.8
117.02525	0.8
117.03355	21.5
117.07001	2.9
118.49964	0.6
119.04911	33.3
119.08573	5.4
121.02787	4.5
121.06492	4.2
121.10091	2.9
122.03603	2.6
123.04372	2.3
123.08018	0.7
123.11672	1.3
124.05154	2.8
125.05984	1.4
127.03855	2.8
130.04105	3.6
131.04868	2.9
131.08510	1.0
133.02820	54.3
133.06458	5.4
133.10100	4.9
134.03609	2.7
135.04370	4.4
135.07967	1.3
135.11682	0.9
137.05946	55.7
139.03844	0.6
143.04874	2.4
145.02821	61.8
145.06427	3.7
145.10068	2.7
146.03494	0.9
147.04385	35.3
147.11650	2.9
147.19911	0.7
149.05962	25.0
150.06731	11.6
151.03850	2.3
151.07498	3.8
152.08278	0.7
153.05461	0.8
157.03906	2.9
157.10103	1.1
158.03583	3.1
159.08055	0.8
159.11635	0.8
160.05154	2.7
161.02278	2.3
161.05954	13.3
161.13202	1.3
162.03072	0.8
162.06729	13.2
163.03854	3.4
163.07529	0.8
165.05431	6.9
166.04947	9.5
167.05255	1.0
167.06917	1.2
173.05913	10.9
173.13324	0.6
174.03111	0.7
175.03868	29.7
175.07471	1.3
175.14758	1.2
175.95013	0.7
176.04631	0.6
177.05426	86.6
177.06841	3.2
179.07076	4.1
180.07727	1.0
185.05963	1.0
186.03094	6.1
187.07562	0.9
187.14818	0.9
189.05396	2.5
189.06981	1.0
191.06981	2.2
191.08505	0.9
193.04918	2.9
197.05905	1.2
201.05421	100.0
201.16362	0.9
202.05872	1.0
202.07704	0.9
203.06976	1.4
204.05832	0.8
205.06451	5.8
206.07202	2.4
213.05353	4.9
217.06552	2.1
218.07120	1.0
219.08130	0.9
222.06668	2.5
231.06371	5.1
233.05943	8.7
234.06680	6.1
237.09245	4.6
237.11188	0.6
245.05817	2.2
247.07436	1.0
249.05371	3.5
249.09183	2.2
250.06189	4.3
251.06956	1.3
257.08011	4.0
261.05362	3.6
262.06079	5.3
263.06940	1.3
264.07700	2.7
265.08591	8.0
273.05289	1.5
275.71042	0.7
276.07700	0.9
277.05200	1.6
277.08496	7.3
279.06317	2.1
282.08911	0.7
290.05368	4.8
290.08411	0.9
292.07239	5.4
293.07986	7.3
294.08597	0.9
295.09421	0.9
305.07965	10.6
307.06149	1.2
307.09415	5.7
309.11047	1.0
311.09097	0.7
325.10635	33.5
336.10623	2.5
337.10666	15.0
349.10318	0.7
355.11682	52.1
356.12158	0.9
364.10022	4.4
433.12650	1.2
451.13458	1.0
469.14590	3.2
470.33276	0.7
487.15726	2.4
499.15683	2.8
517.16461	4.6
605.04022	0.7
667.35754	0.7
685.34711	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	685.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
53.83501	0.2
55.01873	0.3
55.05487	1.0
55.31737	0.2
55.32043	0.2
57.07043	0.2
60.04599	0.2
63.02363	0.3
65.03931	0.3
67.05493	1.3
69.03419	1.5
69.07059	1.3
70.06577	0.2
71.04982	0.5
73.02877	0.2
74.74284	0.2
75.61715	0.2
78.04694	0.2
79.05473	1.2
81.03392	4.8
81.07030	2.6
83.04964	0.9
83.08591	0.3
85.02892	2.6
85.06507	0.5
89.03891	7.3
91.05459	4.0
92.08550	0.2
92.09081	0.9
93.07027	1.7
95.04968	1.5
95.08569	2.2
95.43162	0.2
97.02872	0.4
97.06527	0.3
97.10139	0.5
99.04433	0.5
103.05450	0.5
105.02722	0.3
105.03358	2.4
105.07001	2.3
107.04926	0.4
107.08589	1.6
109.02873	1.9
109.06510	0.8
109.10126	1.7
111.04394	0.2
111.08061	0.2
115.05453	0.2
116.04975	0.8
117.03354	31.3
117.06967	0.3
119.04906	5.2
119.08543	2.1
121.06471	0.9
121.10115	1.5
123.04393	0.3
123.11684	0.8
124.05153	0.8
125.09615	0.4
127.03905	1.0
129.06960	0.3
131.04909	0.4
131.08556	0.7
133.02811	1.3
133.06494	0.4
133.10089	1.1
134.03583	1.8
135.04391	3.9
135.07967	0.5
135.11658	0.4
137.05959	3.5
137.09570	0.3
139.11157	0.2
143.08539	0.2
145.02823	87.8
145.10110	0.9
146.03140	0.4
147.04379	4.7
147.11650	0.8
149.05960	11.3
149.09517	0.4
150.06735	0.3
151.07559	1.5
152.08354	0.3
155.08452	0.2
158.05952	0.2
159.08025	0.3
159.11613	0.4
161.05946	1.6
161.09496	0.3
161.13181	0.2
162.03067	0.5
162.06699	1.3
163.03836	2.2
163.07373	0.2
163.11186	0.3
165.05429	0.3
165.09096	0.3
167.06935	0.4
173.05908	0.8
173.13153	0.3
175.03842	2.1
177.05426	100.0
178.05765	0.4
179.07014	3.9
180.07744	0.3
185.13156	0.3
186.05406	1.1
187.07584	0.3
187.14864	0.2
189.09032	0.3
201.05431	4.5
219.10222	0.2
222.14780	1.1
231.06483	0.3
249.11090	0.8
267.08627	0.3
290.05530	0.2
291.06378	0.2
305.07858	0.9
321.09644	2.4
323.09033	0.4
325.10611	3.7
337.10583	2.9
339.10605	1.0
341.10059	1.6
355.11694	5.7
362.88284	0.2
373.12656	5.6
499.15543	0.5
517.16309	0.2
535.11017	0.3
535.18054	3.4
547.17291	0.3
685.33002	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.3
53.03688	0.2
53.03938	3.7
55.01862	0.3
55.05495	0.3
57.03411	0.9
61.02912	0.3
67.05489	0.6
69.03414	5.5
69.07041	0.8
69.70285	0.2
71.04962	0.8
77.03902	0.6
77.46751	0.1
77.66568	0.1
79.05051	0.3
79.05474	5.4
81.03395	10.8
81.07043	1.4
83.04951	0.4
83.08586	0.2
85.02887	7.3
85.06507	0.3
91.05426	0.6
92.08971	0.7
93.07008	1.2
95.04944	6.2
95.08579	0.8
97.02866	4.8
99.04433	1.5
103.27589	0.2
105.03371	100.0
105.07008	1.0
106.03703	1.3
107.08547	1.1
109.02856	6.9
109.03605	0.2
109.06451	0.2
109.10124	0.8
114.40673	0.2
119.04942	0.2
119.08556	0.7
121.10103	1.1
123.04398	8.2
123.05290	0.3
123.11694	0.4
125.02367	0.2
127.03874	4.5
128.06201	0.1
129.06827	0.2
131.08536	0.2
133.06500	0.2
133.10115	0.6
135.08041	0.2
135.11655	0.3
137.02155	0.2
137.05997	0.3
137.09547	0.2
139.11116	0.2
145.04936	1.1
145.06485	0.2
145.10075	0.2
147.04416	0.9
149.09627	0.2
151.03888	0.2
165.05501	0.3
167.06995	0.6
173.13206	0.2
177.05447	0.2
177.09071	0.2
177.32164	0.2
181.04915	0.2
189.05605	0.2
207.06387	0.2
231.06453	3.2
249.04868	0.2
249.05479	0.2
249.07506	10.2
267.08569	11.8
291.08353	0.2
307.26276	0.2
309.09671	0.7
332.15466	0.2
351.10669	0.2
658.01923	0.2
685.34338	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43542	1.8
53.03929	4.3
53.78094	2.1
55.01863	3.8
55.05506	46.9
57.03422	9.9
57.07074	4.1
67.05180	3.7
67.05491	49.1
69.03411	20.4
69.07047	28.3
71.04972	14.8
79.05472	48.6
81.03415	19.9
81.07035	78.2
83.04964	34.7
83.08595	27.9
85.02888	15.6
85.06532	5.7
86.09692	2.4
88.41450	2.2
91.05453	41.0
91.46115	2.2
92.08946	4.3
93.07025	72.8
95.04950	74.1
95.08585	49.1
97.02863	5.4
97.06509	13.5
97.10124	3.8
99.04432	21.4
105.07014	60.7
107.04920	5.4
107.08577	68.9
109.02849	3.5
109.06504	54.5
109.10144	55.7
111.04429	3.2
111.08060	11.3
117.06940	16.8
118.05099	2.4
119.04922	3.1
119.08543	47.2
121.06493	3.0
121.10117	58.3
121.45871	2.5
123.04401	10.9
123.08051	12.3
123.11656	18.4
125.09624	10.4
127.03892	8.4
129.06982	12.7
131.08542	42.1
133.06406	2.7
133.10109	100.0
135.08052	13.9
135.11661	29.5
137.09570	4.4
139.10062	2.2
139.11124	5.6
143.08528	11.9
145.10094	35.4
147.04391	12.8
147.08044	2.7
147.11632	24.0
149.09639	4.0
149.13255	31.6
151.11218	24.3
153.09056	23.1
155.08482	4.5
157.10060	5.4
158.10895	5.1
159.11646	11.0
161.13179	4.4
163.11125	5.2
163.14801	5.0
165.12703	3.0
167.14297	27.5
169.10147	3.1
171.11667	2.9
173.13240	52.3
175.14767	3.2
185.13260	4.6
187.14868	5.1
191.14285	46.3
209.15338	96.5
227.16330	17.2
261.22089	2.8
281.19440	2.5
303.23215	2.9
369.24069	10.5
387.25323	17.7
405.26236	5.8
424.50046	2.4
439.13840	3.3
441.19052	9.0
467.17297	4.5
496.17609	2.9
543.36450	5.6
555.22223	5.1
583.21912	18.5
584.21796	3.5
643.23767	30.7
644.23871	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	684.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91550	1.3
53.03928	5.8
55.01854	2.2
55.05500	21.0
57.03418	2.1
57.07056	3.1
61.02905	1.2
67.05484	21.9
69.03408	15.0
69.07050	20.3
70.06567	1.5
71.04964	3.3
71.08586	1.4
77.03893	1.5
79.05471	17.9
80.31455	1.2
81.03392	12.9
81.07034	50.1
83.04950	3.3
83.08587	12.7
85.02887	33.0
85.06535	3.4
87.04420	1.6
91.05444	24.1
92.08887	1.6
93.07018	55.7
95.04919	11.2
95.08577	73.4
97.02863	11.3
97.06502	8.9
97.10124	6.9
99.04419	7.7
103.05457	1.7
105.03368	29.7
105.07007	78.0
107.04935	7.7
107.08566	77.8
108.08884	1.6
109.02866	7.2
109.06485	14.0
109.10126	36.0
111.08047	8.5
111.11713	1.4
115.05457	2.0
116.04942	1.7
117.06973	14.0
119.04932	2.1
119.08551	100.0
120.08002	1.6
121.06483	12.3
121.10107	56.9
123.04404	5.3
123.08040	9.0
123.11642	15.3
125.05951	2.0
125.09586	8.3
127.03889	7.5
129.06958	5.8
130.07791	1.6
131.08525	62.4
133.06467	2.0
133.10098	67.4
135.08043	10.6
135.11652	20.8
137.05936	5.5
137.09590	9.1
137.13251	2.0
142.07803	2.3
143.08536	19.3
144.09254	3.1
145.02803	5.3
145.04941	3.3
145.06418	2.0
145.10100	88.4
147.04333	10.2
147.08029	5.9
147.11659	36.7
149.05931	1.6
149.09595	15.4
149.13234	15.3
151.11139	6.7
153.09106	1.5
155.08530	1.7
156.09232	3.3
157.10088	27.2
158.10895	6.2
159.07977	3.0
159.11652	67.2
159.12949	3.2
161.09601	11.1
161.13216	39.0
163.03877	3.1
163.07462	2.7
163.11121	7.8
163.14775	24.0
165.09052	6.4
165.12659	2.4
167.07042	11.1
167.08250	1.5
167.10675	6.8
169.10065	5.8
170.10915	2.7
171.11606	17.6
172.12340	1.9
173.09552	2.1
173.13211	75.3
174.13625	1.7
175.11131	8.5
175.14761	40.8
177.05420	1.8
177.09067	2.3
177.12727	8.5
177.16350	16.7
179.10643	1.8
179.14188	1.4
180.08586	3.4
183.11623	7.1
185.13190	25.9
187.10963	1.9
187.14778	74.8
189.12752	5.9
189.16283	18.0
191.14265	83.9
191.17908	7.8
193.12215	2.2
193.15849	2.1
197.13185	5.5
199.14754	18.7
201.16351	86.8
203.14262	24.5
203.17886	18.1
205.15813	26.9
211.14778	2.7
213.16397	14.0
215.14224	2.8
215.17847	10.0
217.15869	7.2
217.19373	1.8
219.17436	13.5
221.15340	33.9
221.18742	1.8
223.16907	2.5
225.16359	1.8
227.17871	6.3
229.15874	4.8
229.19424	3.0
231.17419	2.7
233.15314	2.0
235.16808	2.9
239.16328	7.5
241.19493	11.7
247.16852	17.1
249.07428	2.1
251.17923	1.6
265.17752	2.4
267.08459	1.7
289.25101	2.7
291.20810	1.8
303.04883	3.0
307.26208	9.0
325.27109	1.8
377.32364	1.7
387.30051	5.2
393.31393	7.0
405.31369	19.8
411.32510	2.9
423.32471	67.0
433.30756	8.5
439.31860	6.0
441.33536	63.4
451.31973	22.8
459.34674	2.9
469.33054	31.8
487.34256	11.5
505.35150	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	684.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62590	2.0
53.03929	3.4
54.81637	2.8
55.05503	56.9
57.03174	2.4
57.03408	17.9
57.07061	27.5
61.02911	45.5
66.63000	2.3
67.05491	48.8
69.03400	3.6
69.06670	3.1
69.07050	83.6
71.08614	14.4
73.02903	19.0
74.72679	2.9
79.05468	30.7
81.03392	2.9
81.07033	66.8
83.04956	2.6
83.08597	53.8
85.02881	55.9
85.06535	3.4
85.10172	4.5
91.03931	37.2
93.07024	38.1
95.08578	80.6
97.02857	19.0
97.06493	15.1
97.10132	44.2
99.04418	3.4
105.07002	3.8
107.08555	33.7
109.10139	33.4
111.08074	13.0
111.11696	15.5
113.70861	2.7
119.08538	5.9
121.10121	60.8
123.11699	10.0
127.03902	5.7
135.11662	50.3
137.13249	12.3
139.11140	4.1
145.04922	5.5
149.13251	20.0
151.14815	4.7
153.12749	2.6
163.06000	9.4
163.14790	10.4
177.16386	5.7
178.69316	2.6
195.23625	2.4
233.22557	45.3
251.23628	87.5
269.24777	22.6
325.27298	100.0
343.28336	86.1
367.22556	3.0
437.92078	3.3
487.32419	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	684.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
54.58955	0.5
55.05508	3.5
67.05491	7.8
69.03406	8.8
69.07062	10.3
71.04977	1.7
73.48567	0.8
79.05476	9.6
81.03397	12.5
81.07035	14.9
83.08635	1.3
85.02892	10.5
85.06527	1.5
88.82899	0.7
90.25707	0.7
91.05433	6.8
92.08894	4.5
92.09410	0.7
93.07014	10.7
95.04942	6.4
95.08583	21.9
97.02860	10.0
99.04419	1.5
105.03372	100.0
105.07013	27.2
106.03699	0.9
107.08568	11.6
109.02866	10.3
109.06475	1.0
109.10136	40.3
110.10466	0.8
112.07588	0.8
117.07036	1.2
119.08559	32.2
120.60952	0.8
121.06441	0.7
121.10126	7.7
121.91181	0.7
122.63055	0.8
123.04394	9.3
123.08021	1.0
123.11716	6.3
127.03870	6.3
127.11169	13.3
131.08568	0.9
133.10112	12.2
135.11670	1.5
145.04935	1.1
145.10118	1.4
147.04373	4.1
147.11661	15.4
161.13226	5.7
175.14807	1.1
203.17926	16.4
231.06470	1.3
249.07526	24.1
252.60382	0.7
267.08563	28.9
271.24252	0.7
594.79425	0.9
620.31226	0.9
684.33801	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.3
53.03719	0.2
53.03941	3.3
55.01865	0.5
55.05507	2.2
55.68208	0.2
57.03416	1.3
57.07058	0.3
61.02904	0.4
67.05495	4.8
69.03413	8.1
69.07056	1.8
70.03751	0.3
71.04967	1.1
77.03922	0.3
79.05472	8.0
80.05798	0.2
81.03398	13.8
81.07037	10.0
82.03719	0.3
83.04959	0.8
83.08601	0.4
84.40430	0.2
85.02892	9.4
91.05451	4.5
92.08866	0.3
93.07019	8.3
93.07566	0.4
94.07343	0.3
95.04948	6.2
95.08584	9.8
96.05257	0.3
97.02866	9.7
97.06504	0.2
99.04439	2.3
105.03372	100.0
105.07008	12.5
106.03713	4.3
106.07336	0.3
107.08574	10.5
109.02853	8.6
109.03606	0.3
109.06503	0.9
109.10136	7.7
110.03209	0.2
111.04357	0.3
111.08105	0.3
117.06982	1.2
119.08554	9.5
120.08891	0.5
121.10114	4.5
123.04405	8.6
123.11674	1.5
124.04798	0.3
127.03892	6.7
129.07042	0.3
131.08553	1.6
133.10106	4.5
135.08098	0.2
135.11635	2.2
139.80080	0.2
143.08540	0.5
145.04973	1.0
145.10132	2.2
147.10599	0.4
147.11670	7.3
149.13255	0.3
155.08507	0.2
157.10020	0.3
159.11694	2.1
160.12004	0.5
161.13240	2.2
163.11208	0.3
163.14757	0.3
165.05449	0.4
169.10013	0.2
171.11586	0.3
173.13203	1.0
175.14803	1.2
177.05313	0.3
177.16364	0.3
183.11618	0.3
185.13202	0.2
187.14766	0.4
201.16342	1.3
202.16718	0.8
203.17924	7.3
213.16537	0.3
221.19046	0.5
231.06563	1.3
249.07510	17.4
250.07898	0.4
252.32527	0.2
267.08575	16.8
268.08954	0.9
269.09103	0.3
303.08102	0.2
307.74063	0.2
313.26144	0.2
329.21179	0.3
346.35794	0.3
497.17084	0.2
530.38068	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
52.50689	0.2
53.03937	3.8
55.05504	0.4
57.03421	1.0
57.07984	0.2
60.72357	0.2
61.02898	0.3
63.00169	0.2
67.05476	0.4
69.03410	5.1
69.07059	0.3
71.04980	1.3
73.02903	0.2
77.03915	0.4
79.05463	4.2
81.03396	13.7
81.07021	1.2
83.08612	0.2
85.02886	5.6
85.43699	0.2
91.05453	1.1
92.09211	1.0
93.07013	1.0
95.04945	5.8
95.08567	0.5
96.70276	0.3
97.02870	6.6
97.06499	0.2
99.04424	1.4
105.03368	100.0
105.07011	1.4
106.03713	1.2
107.08562	1.0
108.80778	0.2
109.02851	8.5
109.10136	0.5
114.24776	0.2
119.08542	0.4
121.10165	0.5
123.04386	7.2
123.08021	0.2
125.09621	0.2
127.03893	4.6
131.08522	0.3
133.10068	1.1
135.11617	0.2
137.53015	0.2
145.04926	1.1
145.10072	1.6
149.09575	0.3
154.09500	0.2
157.10023	0.3
158.05962	0.9
159.11650	0.3
201.16272	0.3
208.79300	0.2
231.06485	3.1
249.07506	13.5
250.07811	0.3
260.52600	0.2
267.05615	0.3
267.08548	10.3
293.65363	0.2
400.13718	0.5
515.14862	0.3
683.30212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30523	0.2
51.02348	0.3
52.82525	0.2
53.03939	3.9
54.05612	0.2
55.01864	0.9
55.05504	3.4
57.03420	1.5
57.07065	0.4
59.04981	0.2
61.02894	0.3
65.03918	0.3
67.05492	8.6
69.03413	6.7
69.07058	3.7
71.04965	1.0
73.02881	0.3
77.03909	0.4
78.69547	0.2
79.05475	10.7
81.02927	0.5
81.03402	13.7
81.07036	16.3
83.08597	1.2
85.02888	11.2
87.04431	0.3
89.25243	0.2
91.05454	8.0
91.78653	0.2
92.09161	1.3
93.07021	13.2
95.04940	8.2
95.08585	18.8
97.02251	0.4
97.02865	9.6
97.10153	0.9
97.82405	0.2
99.04432	2.1
103.05416	0.3
105.03373	100.0
105.07008	22.9
106.03712	1.3
107.08576	19.5
109.02863	7.7
109.03601	0.4
109.06513	1.2
109.10143	13.7
111.08015	0.3
117.07027	1.0
119.08559	15.5
121.06522	0.3
121.10119	6.9
123.04406	10.5
123.08026	0.5
123.11663	2.5
127.03886	5.7
131.08530	1.4
133.08589	0.3
133.10098	9.0
135.11687	4.2
139.11160	0.3
143.08644	0.4
145.02896	0.3
145.04942	1.2
145.10152	2.2
147.04378	0.4
147.11667	13.3
147.36923	0.3
151.11136	0.2
157.10126	0.9
159.11676	1.5
161.13185	4.0
163.14803	1.0
165.09120	0.3
169.10158	0.2
171.11641	0.3
175.14763	1.7
177.16292	0.5
185.13275	0.4
189.16333	0.3
201.16296	0.4
203.17921	16.2
204.18256	0.3
219.17537	0.3
221.19028	0.9
231.06668	0.4
249.07526	15.7
267.08578	15.6
268.08963	0.4
304.64343	0.3
311.20227	0.3
329.20880	0.3
361.02866	0.3
383.23825	0.3
436.87607	0.3
684.31476	0.5
713.95166	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76553	0.1
54.32427	0.1
54.82172	0.2
55.05520	0.3
56.49144	0.1
57.07072	0.2
63.02354	0.3
67.05190	0.1
67.05479	1.1
69.07055	0.9
79.05476	0.9
81.07037	1.8
83.08605	0.4
84.20924	0.1
89.03894	8.9
91.05475	1.2
92.08773	0.8
93.07015	2.0
95.04943	0.3
95.08588	4.1
97.06543	0.2
103.05460	0.6
105.06999	2.6
106.04149	0.4
107.08572	4.2
109.06508	0.3
109.10137	2.3
111.08080	0.6
113.44746	0.1
117.03359	32.3
117.07011	0.2
119.08559	4.8
121.06470	0.2
121.10130	2.5
123.08075	0.2
123.11687	0.3
124.05180	0.7
125.09625	0.4
131.08517	1.4
133.10110	2.9
134.03607	2.2
135.04404	2.4
135.08125	0.2
135.11691	1.4
143.08527	0.4
145.02827	85.8
145.10097	3.1
146.03214	0.3
147.11647	1.4
149.05959	13.1
149.09596	0.6
149.13283	1.0
153.08992	0.2
157.10103	0.9
158.05946	0.3
158.10979	0.2
159.11670	3.0
161.13213	1.2
162.03076	0.6
163.03873	1.0
163.11057	0.3
163.14786	0.9
171.11751	0.5
171.91225	0.2
173.13197	1.7
175.14755	1.7
177.05432	100.0
177.16374	1.2
178.05815	0.3
179.14362	0.2
186.05492	1.2
187.14754	2.9
189.16351	2.1
191.17908	0.3
195.06564	0.2
199.14772	1.0
201.16344	2.4
203.14267	0.2
203.17975	1.0
205.15851	0.8
211.14784	0.2
213.16356	0.8
215.17928	1.4
219.17439	0.6
221.15318	0.3
227.18036	0.3
229.19473	0.3
231.17314	0.2
233.18858	0.2
235.16934	0.2
247.16891	0.8
255.20903	0.2
261.18390	0.2
311.23529	0.3
389.31787	0.7
407.32977	2.9
425.34259	1.6
435.32297	0.7
453.33578	1.5
471.34634	4.4
641.38190	3.1
647.39337	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	682.431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49448	0.2
55.05500	0.4
63.02367	0.3
67.05478	0.4
69.07055	0.4
79.05474	0.4
81.07045	1.8
83.78046	0.3
89.03893	8.0
90.50458	0.2
91.05471	1.2
92.09077	0.5
93.07002	1.9
95.08573	3.1
98.40437	0.3
103.05458	0.3
105.07022	3.0
106.04122	0.4
107.08577	3.8
109.10149	1.7
117.03362	31.6
119.08562	3.6
119.42016	0.2
121.10093	2.2
123.07990	0.3
123.11700	0.4
124.05210	0.3
125.09559	0.5
131.08565	1.7
133.10103	2.9
134.03610	2.2
135.04381	2.3
135.11679	1.2
135.59280	0.3
145.02832	87.1
145.10109	3.0
147.11703	1.6
149.04745	0.4
149.05956	12.8
149.07085	0.5
149.13283	0.5
157.10075	0.6
159.11684	2.1
161.13234	1.4
163.03893	0.6
163.14691	0.4
171.11508	0.3
173.13222	1.3
175.14815	1.3
177.05435	100.0
177.16310	1.2
186.05411	0.6
187.14827	2.3
189.16373	3.1
191.17932	0.5
195.06546	0.3
199.14771	0.4
201.16362	3.7
203.17961	1.5
205.16005	0.5
213.16339	0.6
215.17926	1.6
217.15787	0.4
225.04362	0.3
389.32123	0.4
407.32870	2.5
425.33990	2.0
435.32214	1.5
453.33383	1.6
459.61938	0.3
471.28922	0.3
471.34607	4.8
588.23096	0.3
641.37616	0.6
647.30164	0.4
647.39349	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	682.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.3
63.02371	0.5
65.63533	0.3
67.05506	0.8
69.07056	1.4
79.05479	0.8
81.07040	3.1
83.08594	0.4
85.57658	0.4
89.03896	9.4
91.05474	2.6
92.64037	0.4
92.85475	0.3
93.07024	2.7
95.08581	4.0
103.05486	0.5
105.07031	3.0
106.04150	0.4
107.08560	4.7
109.06548	0.5
109.10161	1.7
115.29043	0.4
117.03362	33.7
119.08552	4.3
121.10121	2.7
123.11688	0.6
124.05194	0.4
125.09610	0.6
126.91276	0.4
131.08559	2.2
133.10135	4.3
134.03604	2.3
135.04396	3.5
135.11678	1.3
145.02834	94.0
145.10095	3.1
146.03241	0.5
147.04335	0.4
147.11688	2.3
149.05956	13.3
149.13214	0.5
157.10048	0.5
159.11682	2.5
161.13249	0.7
163.03877	0.8
171.11569	0.6
173.13220	1.5
175.14778	2.6
177.05437	100.0
177.16360	1.7
185.13205	0.8
185.27328	0.4
186.05482	1.4
187.14784	3.1
189.16284	1.3
193.15936	0.6
199.14789	0.9
200.64256	0.5
201.16283	3.0
203.17831	0.5
213.16290	0.7
215.17953	1.7
407.32828	2.9
435.32376	0.7
453.33337	1.7
456.02332	0.4
471.34619	5.3
647.39471	4.0
656.52936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
53.26443	0.1
53.30123	0.1
55.01870	0.2
55.05509	0.3
55.28658	0.1
55.85114	0.1
57.03424	0.3
57.34600	0.1
61.02920	0.2
67.05510	0.9
69.03423	2.1
69.07059	0.4
71.04983	0.2
78.04691	0.3
79.05478	0.9
79.24892	0.1
81.03403	5.0
81.07046	1.9
83.04972	0.4
83.08607	0.2
85.02893	2.4
89.03893	3.8
91.05462	1.5
92.09198	0.2
93.07037	0.9
95.04970	0.9
95.08593	1.2
97.02879	1.0
97.06532	0.3
97.10170	0.2
99.04440	0.7
103.05457	0.3
105.03389	1.1
105.07016	1.3
106.04140	0.2
107.04932	0.3
107.08585	1.1
109.02863	2.3
109.06493	0.3
109.10127	1.1
111.04420	0.2
117.03361	17.2
119.04887	0.4
119.08531	1.1
121.06490	0.7
121.10130	1.1
123.08065	0.2
123.11694	0.6
125.06012	0.2
127.03889	0.7
133.06488	0.3
133.10139	0.4
134.03607	1.2
135.04379	1.9
135.11673	0.6
136.66211	0.2
137.05960	0.3
137.09587	0.2
145.02831	65.1
145.10144	0.3
146.03120	0.3
147.04410	1.0
147.11720	0.7
149.05956	7.2
149.07088	0.3
149.09583	0.2
149.13226	0.2
153.09120	0.2
157.10139	0.2
159.11678	0.3
161.09657	0.2
163.03868	1.1
163.07567	0.3
165.09050	0.2
167.07013	0.2
173.13225	0.2
175.14841	0.2
177.05437	100.0
178.05739	0.6
184.07355	0.2
186.05417	0.6
189.09190	0.2
194.26759	0.2
195.06555	1.5
209.08005	0.6
219.10083	0.2
220.41103	0.2
235.53377	0.2
249.84261	0.2
305.24667	0.3
321.09610	3.4
339.10693	7.1
393.10559	0.2
681.18073	0.3
682.18121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95753	0.4
53.03935	1.1
55.01865	0.5
55.05505	2.0
57.03432	3.5
59.04979	0.5
61.02920	5.3
67.05489	6.8
69.03419	4.1
69.07049	2.2
71.04977	1.9
73.02901	3.7
79.05473	5.6
81.03397	4.0
81.07037	8.3
82.36872	0.4
82.97045	0.4
83.04961	1.0
83.08632	1.9
85.02886	6.1
91.03946	2.1
91.05458	3.9
92.09103	0.8
93.07019	6.3
95.04962	2.8
95.08604	3.0
96.50773	0.4
97.02876	5.9
97.06517	1.1
99.04447	0.5
101.02374	3.1
105.03367	7.6
105.07006	3.8
107.07947	0.5
107.08588	4.0
109.02895	0.8
109.10175	1.7
111.08060	0.4
117.07031	0.8
119.08584	2.8
121.10107	3.2
127.03960	2.0
129.07018	0.8
131.08585	2.1
133.10159	2.3
135.11731	0.8
147.04411	0.8
147.11745	1.9
149.13226	4.0
155.63380	0.4
157.10023	0.5
159.11696	2.1
169.75473	0.5
175.11179	1.7
193.12288	1.8
195.13806	0.7
243.08501	2.4
249.07567	0.6
251.12555	1.0
269.17694	0.5
415.10104	3.9
453.20886	12.2
469.20410	7.1
496.95026	0.6
644.82434	0.6
681.34473	100.0
682.34448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.05495	2.0
56.96584	1.4
57.03429	2.2
61.02921	2.9
63.03587	1.4
67.05495	7.0
69.03421	7.3
69.07057	1.8
71.04977	1.6
71.91308	1.2
73.02884	2.1
79.05040	1.2
79.05483	8.0
81.03404	10.8
81.07034	9.1
85.02899	8.8
91.05465	8.4
92.08661	1.9
92.09172	4.5
93.07016	5.6
95.04956	3.6
95.08604	6.0
97.02879	8.0
97.06525	1.9
105.03376	18.6
105.07037	7.3
106.03706	1.6
107.08585	7.4
109.10172	2.7
119.08579	7.4
121.06505	1.9
121.10139	2.0
123.04417	1.4
129.07048	1.6
131.08607	1.9
133.10133	1.8
145.02843	2.1
145.10118	2.7
147.04399	2.4
147.11687	3.0
157.10153	1.9
159.11714	1.7
177.05444	3.4
193.12247	2.2
243.08496	1.6
267.08841	2.1
325.77094	1.5
373.91763	1.8
415.10223	11.9
453.21011	8.7
469.20291	8.8
681.34357	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	681.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
54.18177	0.1
55.01865	0.2
55.05500	0.4
55.88818	0.1
57.03436	0.4
65.03922	1.0
66.93577	0.1
67.01846	1.3
67.05483	0.8
69.03409	2.5
69.07044	0.3
71.01323	0.1
71.04972	0.7
73.45577	0.2
79.05466	0.8
81.03399	14.7
81.07034	1.0
83.04965	0.3
83.08615	0.2
84.91954	0.2
85.02893	1.1
85.06510	0.2
91.05461	14.1
92.08998	0.2
93.07037	1.2
95.04952	0.7
95.08582	0.7
97.02872	5.3
97.06485	0.3
99.04442	1.8
105.03392	0.8
105.07018	0.7
107.04884	0.2
107.08598	0.6
109.02862	26.2
109.06508	0.3
109.10146	0.4
111.04419	0.3
119.04919	37.7
119.08542	0.4
121.10120	0.2
123.04424	0.3
124.23045	0.2
125.02393	0.4
127.03891	7.5
129.06996	0.2
131.08533	0.3
133.10129	0.2
135.11679	0.4
136.06166	0.3
139.03868	1.0
145.02882	0.2
145.10155	0.3
147.04388	100.0
148.04730	0.3
154.09279	0.2
163.03915	0.3
169.04939	3.0
177.05417	0.6
187.05978	0.2
193.04880	0.2
193.12131	0.2
221.17509	0.2
229.06975	1.0
230.47507	0.2
235.05870	0.2
246.52948	0.2
255.15652	0.3
264.51834	0.2
273.07452	0.9
292.69739	0.2
293.28601	0.2
341.24887	0.2
447.27231	0.4
448.27808	0.2
703.58496	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
53.47164	0.1
55.01871	0.2
55.05493	0.3
57.03419	0.3
61.02907	0.4
61.17710	0.1
65.03931	0.6
67.05488	0.7
69.03410	1.5
69.07042	0.3
71.04984	0.2
73.02885	0.3
75.27306	0.2
77.03922	0.2
79.05466	0.9
81.03400	2.5
81.07048	1.5
83.04962	0.2
85.02886	4.0
85.06542	0.3
87.04448	0.2
89.03880	0.4
89.06016	0.4
91.05457	19.5
92.08891	1.0
93.07027	1.1
95.04939	0.9
95.08574	0.7
97.02869	1.2
97.06520	0.2
99.04440	0.7
103.05452	0.9
103.61996	0.1
105.03354	1.2
105.07013	1.3
106.07290	0.2
107.08576	0.9
109.02867	0.8
109.06491	0.4
109.10136	1.0
115.39112	0.2
118.04109	0.3
119.04916	38.5
119.08547	0.9
120.05318	0.2
121.06477	0.2
121.10117	1.0
123.08001	0.2
125.09576	0.2
126.38008	0.1
127.03876	0.8
129.03331	0.4
131.04881	0.3
132.02080	1.3
133.02788	0.2
133.10078	0.8
134.77139	0.2
135.04411	0.4
136.05203	0.4
137.05972	0.2
137.09564	0.3
143.08556	0.2
143.10628	0.2
145.02815	0.9
145.04904	0.7
145.10120	0.7
147.04385	34.9
147.11642	0.4
149.02304	0.9
157.03944	3.5
157.10069	0.2
159.11687	0.3
161.05968	0.3
163.03821	0.7
164.04683	1.1
167.06996	0.2
168.70143	0.2
172.12001	0.2
173.13206	0.3
175.03864	59.8
175.14914	0.2
176.04385	0.2
177.05414	0.3
179.06973	2.9
180.08598	0.3
191.14131	0.2
192.04146	1.3
206.05704	0.3
207.06490	100.0
208.06825	0.9
225.07521	0.4
285.21957	0.2
318.90747	0.2
351.10550	1.4
369.11575	1.8
681.36505	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	58.5
62.17037	0.5
72.10574	0.5
77.03957	0.8
84.69734	0.5
91.05460	5.2
92.08786	0.7
105.06996	2.3
114.98948	0.5
127.73557	0.4
138.91556	0.5
147.11658	6.8
152.06178	0.6
153.06969	2.6
156.24788	0.5
158.13885	0.5
171.08072	0.6
211.57617	0.5
229.09984	0.6
233.03644	3.0
251.04636	15.3
275.68137	0.5
294.54819	0.5
307.10938	1.2
327.07739	100.0
328.08051	0.8
352.22437	0.6
383.13980	49.7
433.40463	0.5
439.20251	84.9
440.20618	0.7
495.26508	78.7
496.26892	0.9
519.42456	0.5
551.32776	26.3
607.39008	65.0
608.39789	1.1
663.45258	66.6
664.45398	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	2.4
53.03931	2.9
55.01864	2.8
55.05506	28.3
57.03442	16.5
57.07056	8.8
60.73964	2.1
67.05497	100.0
69.07049	29.0
69.38934	2.0
69.67109	2.3
70.26263	2.2
71.04969	3.0
72.94958	1.9
79.05476	55.1
81.07042	90.5
83.08609	12.2
91.05465	54.8
92.09119	15.4
93.07027	64.2
95.04935	10.2
95.08583	59.4
97.10139	5.4
102.06831	2.4
105.07018	26.9
107.04924	3.3
107.08582	40.0
109.06519	4.3
109.10146	32.5
112.89208	2.2
114.47039	2.4
117.07004	14.4
119.08561	28.2
121.10087	26.9
123.08064	2.5
123.11655	3.7
129.06944	3.1
131.08559	14.7
133.10080	17.3
135.11646	12.6
137.09517	2.3
143.08528	3.6
145.10141	13.3
147.11707	12.9
149.13229	4.8
157.10074	3.8
159.11681	5.0
163.11147	3.5
169.10258	2.8
173.11754	2.6
173.13225	5.0
181.33041	2.7
187.14738	4.9
189.12810	2.3
227.12839	3.3
261.22202	2.4
269.17523	10.6
275.19901	8.9
293.20923	3.0
309.20673	3.7
335.25748	56.7
349.23758	10.8
367.24564	4.5
495.25934	3.8
529.38531	17.7
569.41919	31.3
609.45709	19.0
627.45630	5.1
648.38116	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	680.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.1
53.03935	0.9
55.05503	16.0
57.03424	0.7
57.07072	9.2
58.60535	0.7
65.62535	0.6
67.05128	1.5
67.05490	25.4
67.05849	1.2
69.03418	1.3
69.07053	41.1
71.08623	2.7
77.64323	0.7
79.05469	11.7
81.03385	0.9
81.07037	47.2
81.39760	0.7
83.08605	19.7
85.02887	3.7
85.06524	1.3
91.05463	11.5
92.09043	4.1
93.07024	26.4
95.04946	1.0
95.08582	62.7
97.02861	0.8
97.06534	0.8
97.10153	5.5
101.19738	0.8
105.07011	32.6
107.08578	46.4
108.40115	0.8
109.02854	1.1
109.06481	1.2
109.10137	55.1
111.08099	1.7
111.11690	2.9
117.07001	5.8
119.08556	55.0
121.10130	32.4
121.10821	0.6
123.08015	1.2
123.11672	16.5
123.12524	1.0
125.09611	1.0
127.03912	2.9
129.07005	1.7
130.07790	1.2
131.08536	16.6
133.10103	35.2
135.11678	22.3
137.09608	1.8
137.13229	14.0
141.06943	1.0
142.07791	1.6
143.08545	11.8
144.09358	1.2
145.08965	1.4
145.10114	36.9
147.11667	29.1
149.09650	1.4
149.13217	9.7
151.14786	1.1
155.08546	5.2
156.09299	1.5
157.10109	20.3
158.10840	0.8
159.11667	31.0
161.13216	22.8
163.14784	5.3
165.16371	0.8
168.09314	1.1
169.10133	7.9
170.10928	1.2
171.11642	24.3
172.12363	0.8
173.13223	24.5
175.11116	2.6
175.14775	12.1
177.16394	3.7
179.14400	1.1
181.10162	1.0
182.10905	1.0
183.11661	10.3
184.12515	0.9
185.13206	20.2
186.13870	1.3
187.05922	1.4
187.14758	26.7
189.16341	33.0
191.17957	3.5
195.11679	3.0
196.12433	1.7
197.13240	9.9
198.14075	1.3
199.14781	15.7
201.16359	23.9
203.14224	1.1
203.17909	7.0
205.07141	4.8
205.15985	1.7
207.17349	10.0
209.13371	1.5
210.14055	1.5
211.14795	11.7
213.16312	13.8
215.14409	1.2
215.17931	10.2
217.15947	1.5
217.19420	5.4
219.17523	1.4
223.14835	1.8
224.15474	1.0
225.16283	9.7
227.17860	15.8
228.46649	0.7
229.15974	1.2
229.19540	3.6
237.16312	2.9
239.17883	11.0
240.10771	1.0
241.19466	6.9
243.21112	1.2
245.18954	9.7
245.22775	1.4
251.18059	0.9
252.18658	1.4
253.19400	6.0
255.21011	4.1
257.18951	1.6
257.22629	4.4
259.20480	1.1
263.20074	1.7
265.19495	1.4
267.21005	14.6
269.22598	3.0
271.20508	4.1
273.21994	1.0
279.21082	1.2
281.22595	4.8
283.24368	1.6
285.22070	11.2
293.22681	2.9
295.24100	3.4
297.25934	1.7
299.23605	1.3
303.23126	25.5
309.25812	1.6
311.23596	0.8
311.27203	1.0
313.25122	1.1
315.26746	1.7
321.25903	0.9
323.27271	8.4
327.26743	0.9
335.26990	1.4
339.26816	1.0
341.28363	7.3
349.28833	3.4
353.28384	1.0
363.91150	0.9
405.35110	28.4
423.36139	100.0
424.36606	2.8
441.37158	4.7
539.39081	3.6
619.59082	0.9
644.61896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02314	1.2
53.03938	31.5
55.05506	2.4
57.03433	37.2
57.07069	2.2
61.02909	11.2
62.57713	1.2
67.01864	5.2
67.05489	6.8
69.03414	11.3
69.07053	3.6
70.71500	1.4
71.04978	2.9
75.04479	1.3
79.05490	2.8
81.03398	40.4
81.07031	5.8
83.08592	1.9
85.02887	11.7
91.05468	5.6
92.09135	10.0
93.07027	7.0
95.08624	5.6
97.02861	29.2
97.10112	1.9
99.04436	9.1
103.03893	2.1
105.07001	2.3
107.08583	7.3
109.02860	60.1
109.10081	2.2
109.17049	1.3
117.05472	100.0
119.08553	5.3
127.03893	41.9
129.06973	1.5
133.10150	2.6
135.06587	1.6
145.02858	5.7
145.10124	2.0
159.06502	55.0
169.04860	2.2
177.05420	5.9
178.05821	1.5
187.05977	15.0
187.50336	1.3
202.22588	1.3
229.06891	3.2
247.08139	8.1
303.19653	1.7
327.07977	1.8
381.29910	9.2
399.30930	45.9
439.19943	2.1
663.45203	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.6
53.03926	2.9
55.01875	1.2
55.05504	18.0
57.03430	11.8
57.07061	3.7
61.02914	40.5
65.03925	1.3
67.05492	83.9
69.03424	5.8
69.07051	14.0
70.69400	0.7
71.04971	3.1
73.02895	15.1
75.04463	1.5
75.67944	0.7
79.05473	57.1
81.03407	3.7
81.07037	99.5
83.04966	2.9
83.08598	8.1
85.02888	41.9
85.06544	1.6
91.03939	37.6
91.04516	1.4
91.05460	28.1
91.05998	1.3
92.08981	0.8
93.07024	79.7
95.04947	4.9
95.08583	100.0
97.02872	20.5
97.06526	5.3
97.10145	3.7
99.04425	3.0
99.08068	1.2
105.07011	29.5
107.08576	60.1
109.02857	1.1
109.06501	3.3
109.10139	47.2
111.08074	4.2
113.09639	0.8
115.03928	1.3
117.06986	12.1
119.04937	1.3
119.08559	23.2
121.06487	0.7
121.10120	51.3
123.11678	17.8
125.09582	1.5
127.03880	7.3
129.06947	1.3
131.08551	29.0
131.09557	1.1
133.10110	21.4
135.08070	1.2
135.11668	40.3
137.09573	1.6
137.13246	4.9
139.11154	1.5
145.04938	13.5
145.10100	26.6
147.04431	1.2
147.08023	0.7
147.11664	19.6
149.13251	25.2
151.11169	1.7
157.10091	1.2
159.11656	23.6
161.13251	6.4
163.05965	13.3
163.14764	7.4
165.12767	1.7
173.13232	15.0
175.14803	1.5
177.12807	1.6
187.14792	5.9
191.14183	0.7
201.16351	1.7
219.21091	3.2
229.19464	36.1
247.20511	79.0
249.22258	1.3
265.21579	5.1
288.18906	0.8
321.24200	30.1
339.25223	56.1
403.18661	0.9
483.29367	5.9
534.74768	1.1
665.25226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74721	3.1
53.03925	8.1
53.54476	3.9
54.81708	3.0
55.05504	8.9
57.03432	8.8
61.02913	28.9
64.88282	3.4
67.05489	63.4
69.03408	8.6
69.07075	11.7
72.59140	3.7
73.02884	8.4
79.05473	52.5
81.03380	20.8
81.07041	65.1
83.04929	4.7
83.08588	5.8
85.02896	40.2
91.03924	19.6
91.05465	25.1
93.07019	60.5
95.04933	8.8
95.08595	68.0
97.02861	21.6
105.03368	100.0
105.07011	21.2
107.08564	42.2
109.02856	7.5
109.06495	4.3
109.10128	37.6
117.07037	12.7
119.08547	25.0
121.10104	34.5
122.34634	3.8
123.04382	4.3
123.11744	7.1
127.03883	15.3
131.08514	24.3
133.10103	19.4
135.11696	27.7
145.02753	5.1
145.04903	5.6
145.10097	21.8
147.04376	14.6
147.11627	8.5
149.13235	16.5
154.00455	3.8
159.11670	22.7
161.13190	5.6
163.05981	5.0
173.13255	7.7
206.91527	3.5
229.19505	28.3
247.20480	68.9
249.07468	15.5
267.08557	14.1
321.24130	14.9
339.25183	38.2
576.20966	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	680.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.01862	1.4
55.05507	5.4
57.03422	4.7
57.99120	0.5
61.02894	0.5
61.40384	0.5
67.05483	8.1
69.03400	8.6
69.07054	2.7
71.04985	0.9
79.05462	11.9
81.03398	21.2
81.07037	21.2
82.03742	0.8
82.07373	1.2
83.04973	3.4
83.08618	2.7
85.02885	12.6
85.06550	1.3
91.05463	8.1
92.05792	0.8
92.09071	3.1
93.07022	7.4
95.04942	10.5
95.08595	4.1
97.02874	11.6
97.06490	2.8
97.10149	1.4
97.65539	0.5
99.04426	3.3
105.03370	100.0
105.07011	51.0
106.03732	0.7
106.07336	2.4
107.08574	10.3
108.08909	0.9
109.02876	9.4
109.06516	1.5
109.10124	8.8
110.10514	1.4
111.08088	0.8
117.07025	1.5
119.04954	0.8
119.08567	14.1
121.06438	0.6
121.10114	3.7
123.04408	10.6
123.11673	1.4
127.03900	6.2
128.06198	20.2
129.06985	3.5
131.08565	2.9
133.10107	8.4
134.10451	3.8
135.07983	0.9
137.08133	0.6
137.09523	0.6
141.07011	0.8
142.07744	18.6
143.08542	69.5
145.04900	1.0
145.10124	4.5
147.04404	3.0
147.11652	1.4
149.09625	1.1
149.13228	0.7
151.11185	2.6
155.08568	1.0
156.09346	4.1
157.10098	67.9
159.11685	1.0
163.03845	1.0
163.11134	0.7
171.11650	8.1
175.11162	1.0
177.00682	0.7
193.12238	3.0
194.12563	0.9
199.14781	14.4
204.19794	0.7
204.22945	0.6
211.13277	2.6
212.13522	0.8
231.06517	0.8
243.23149	0.6
249.07497	20.6
253.14220	7.1
254.14697	5.2
255.14896	1.2
267.08554	22.8
267.15909	0.9
271.15356	0.7
272.15717	0.7
273.62903	0.7
285.16934	0.7
286.17117	1.2
288.75229	0.6
303.23013	0.7
310.55719	0.6
372.47379	0.6
401.94531	0.7
465.28088	1.1
482.28152	6.2
483.28464	2.9
546.54803	0.7
680.32947	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	679.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50317	2.4
52.11645	2.1
53.03928	16.1
55.05499	14.2
57.03428	41.1
57.07060	2.2
61.02900	5.0
67.01836	4.8
67.05502	18.0
69.03404	13.2
69.07052	17.9
73.02924	2.7
79.05468	4.9
81.03406	42.1
81.07047	25.3
83.04958	2.9
83.08595	12.4
85.02880	9.4
91.05441	3.2
93.07027	4.9
95.08597	19.4
97.02879	19.1
97.10164	10.7
99.04422	14.1
103.03892	3.8
107.08588	2.1
109.02853	50.9
109.10133	9.4
111.11620	2.1
117.05470	92.7
119.08563	4.2
121.10107	3.2
123.11628	2.9
127.03876	40.0
134.61319	2.5
147.11688	4.1
159.06500	100.0
169.04933	2.4
176.43518	2.3
187.06033	11.6
229.07063	3.7
247.08081	25.2
257.24728	3.4
311.25928	2.2
372.53583	2.5
397.29480	41.6
415.30438	5.0
535.81403	3.6
604.74548	3.0
618.50916	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	679.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
55.05502	14.9
57.07066	3.2
59.53022	1.6
67.05490	38.6
69.03397	4.8
69.07053	34.2
79.05474	23.6
81.03395	3.6
81.06548	1.9
81.07034	59.1
83.08591	10.0
91.05454	21.0
92.09055	8.8
93.07017	49.4
95.08582	72.4
105.07008	48.8
107.08576	63.3
109.06524	2.4
109.09391	2.5
109.10139	56.4
111.08055	3.1
117.06979	3.9
119.08557	68.9
121.10130	42.3
123.08041	3.9
123.11657	11.1
127.03946	2.3
128.06137	2.5
129.07005	2.0
130.07788	2.8
131.08534	25.9
133.10101	40.6
135.11690	21.8
137.09517	2.1
141.09041	4.5
142.07739	8.0
143.08478	17.3
144.09352	2.1
145.10106	45.2
147.11667	26.0
149.13263	8.8
155.08493	2.6
156.09390	7.4
157.10106	40.1
159.11670	44.6
161.13203	23.4
163.11139	1.9
163.14774	3.5
169.10094	13.4
170.10884	12.1
171.11655	38.8
172.12366	2.1
173.13225	19.4
175.14807	11.7
181.10091	3.3
183.11661	12.4
184.12418	11.6
185.13242	25.0
187.14777	36.5
189.16415	16.4
195.11595	8.2
197.13242	13.7
199.14792	92.6
200.15579	2.3
201.16353	78.5
203.17845	3.7
209.13254	3.7
211.14745	15.1
213.16325	16.7
215.17969	11.9
217.15851	8.6
223.14677	8.2
225.16357	12.6
227.17816	3.4
229.19527	3.2
231.17433	2.6
235.14679	2.2
237.16310	10.0
239.17834	7.7
241.19510	3.1
251.17932	4.6
253.19400	4.9
257.35236	2.0
265.19324	3.3
267.20941	2.9
279.21176	2.5
293.22479	4.3
295.24097	21.9
313.25253	4.5
321.25705	13.2
333.25726	2.4
339.26819	9.9
344.06772	2.2
347.27182	3.0
403.28491	3.8
403.33511	72.5
421.34570	100.0
439.35696	15.1
626.02173	2.2
679.44312	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	679.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
53.14569	0.5
54.81670	0.5
55.01855	0.5
55.05503	2.7
57.03426	3.6
61.02914	6.1
64.33350	0.6
67.05498	4.7
67.82201	0.5
69.03423	3.2
69.07033	0.8
71.04993	1.4
71.57616	0.6
73.02901	4.3
79.05466	5.0
81.03408	12.8
81.07031	3.4
83.04971	1.2
83.08607	3.5
85.02907	7.8
85.06506	0.6
86.09692	3.1
91.03951	3.6
91.05449	5.9
92.08965	4.2
93.07041	3.4
95.04959	4.6
95.08604	1.2
97.02867	6.8
97.06528	1.1
101.02351	2.6
105.06996	4.3
107.04987	0.8
107.08598	1.3
109.02898	0.6
109.06530	0.8
109.10160	1.0
111.08056	0.8
117.07005	1.0
119.08548	4.1
121.10152	1.4
124.99995	2.4
127.03902	0.9
129.07036	1.1
131.08571	2.5
131.17720	0.6
133.10103	1.1
135.11702	0.7
137.09579	0.9
145.04991	0.6
145.10129	1.0
147.11676	0.8
157.10175	1.0
163.99637	0.5
167.63954	0.6
175.11198	2.4
184.07312	11.0
185.13235	0.7
193.12143	4.1
234.22572	0.6
243.08481	1.1
251.12459	1.1
267.15891	2.5
450.88782	0.6
451.19308	9.9
453.20926	0.8
467.18735	0.6
469.20483	3.4
479.76218	0.6
480.67902	0.8
679.32904	100.0
680.33429	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81184	1.7
54.30909	1.8
54.71608	1.9
55.05507	18.2
57.03415	11.9
57.07053	9.5
61.02896	14.9
64.33617	2.8
66.01080	1.9
67.05140	4.2
67.05486	89.6
69.03392	2.3
69.07044	30.8
71.08599	4.8
73.02895	4.4
74.23872	1.8
79.05462	25.8
81.07035	100.0
83.04929	2.3
83.08601	14.3
85.02880	14.5
85.06528	3.1
91.03954	17.0
91.05447	14.6
92.82574	2.2
93.07012	31.9
95.08578	87.3
97.02855	8.8
97.06482	4.4
97.10121	13.0
99.08099	2.7
105.07014	19.9
107.08562	22.2
109.10128	46.6
111.08088	3.9
119.08562	16.4
121.10129	18.6
123.11671	13.4
127.03922	3.2
133.10094	14.4
135.11659	10.5
137.09618	2.5
137.13255	3.4
145.04907	2.4
147.11668	12.2
149.13229	9.9
151.14857	2.4
161.13309	10.7
163.05977	3.1
163.14793	9.2
165.16376	3.9
175.14758	8.2
177.05402	5.1
179.17841	2.8
189.16351	4.0
227.52116	2.5
245.22575	32.7
263.23624	52.8
304.65887	2.4
335.64917	2.2
337.27267	39.5
355.28326	2.6
483.53995	2.4
499.32315	3.5
628.61469	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	679.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
53.14569	0.5
54.81670	0.5
55.01855	0.5
55.05503	2.7
57.03426	3.6
61.02914	6.1
64.33350	0.6
67.05498	4.7
67.82201	0.5
69.03423	3.2
69.07033	0.8
71.04993	1.4
71.57616	0.6
73.02901	4.3
79.05466	5.0
81.03408	12.8
81.07031	3.4
83.04971	1.2
83.08607	3.5
85.02907	7.8
85.06506	0.6
86.09692	3.1
91.03951	3.6
91.05449	5.9
92.08965	4.2
93.07041	3.4
95.04959	4.6
95.08604	1.2
97.02867	6.8
97.06528	1.1
101.02351	2.6
105.06996	4.3
107.04987	0.8
107.08598	1.3
109.02898	0.6
109.06530	0.8
109.10160	1.0
111.08056	0.8
117.07005	1.0
119.08548	4.1
121.10152	1.4
124.99995	2.4
127.03902	0.9
129.07036	1.1
131.08571	2.5
131.17720	0.6
133.10103	1.1
135.11702	0.7
137.09579	0.9
145.04991	0.6
145.10129	1.0
147.11676	0.8
157.10175	1.0
163.99637	0.5
167.63954	0.6
175.11198	2.4
184.07312	11.0
185.13235	0.7
193.12143	4.1
234.22572	0.6
243.08481	1.1
251.12459	1.1
267.15891	2.5
450.88782	0.6
451.19308	9.9
453.20926	0.8
467.18735	0.6
469.20483	3.4
479.76218	0.6
480.67902	0.8
679.32904	100.0
680.33429	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1995
Annotation	alpha-Viniferin
Peak:m/z	Relative Intensity
53.03940	1.5
55.05506	2.7
56.54391	0.5
57.03426	0.8
59.36267	0.6
59.88901	0.6
60.08183	0.6
67.05499	4.3
69.03413	1.2
69.07056	1.5
71.04977	1.2
73.02898	0.8
74.10436	0.6
79.05479	4.5
81.03411	4.7
81.07022	5.2
82.43574	0.6
83.04956	0.9
83.08623	1.1
85.02899	3.7
86.09690	2.5
91.05453	6.2
92.09104	0.7
93.07026	4.9
95.04950	4.2
95.08596	3.4
97.02854	1.6
97.06553	1.2
99.04461	1.3
105.03371	13.4
105.07029	3.6
107.08591	5.1
109.06513	0.9
109.10173	1.5
111.08031	0.7
119.08570	3.5
121.06446	1.0
121.10116	1.3
123.04433	0.9
124.99966	0.9
127.03875	0.8
129.07034	0.9
131.08595	1.2
133.10156	3.7
135.08055	1.3
135.11687	0.9
137.09714	0.7
143.08527	0.7
145.10112	2.4
147.11667	0.9
157.10120	1.1
176.00458	0.6
177.05466	0.9
184.07375	4.2
185.13376	0.8
237.84781	0.7
241.12482	0.8
253.14384	0.8
255.45605	0.6
305.06393	1.0
307.08017	4.8
319.43277	0.8
333.07614	0.8
349.08835	0.9
363.10501	3.1
365.10382	0.9
377.54001	0.8
401.10492	0.7
405.11517	1.0
451.11963	14.5
481.28098	0.7
601.30359	0.8
679.19928	100.0
679.32574	6.8
680.20361	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
67.05492	1.1
69.03426	1.5
69.27157	0.7
75.79446	0.6
77.77696	0.6
78.14184	0.7
81.03403	2.7
81.07043	2.8
85.02905	1.3
91.05479	0.8
92.08702	1.6
92.09262	1.8
93.07069	2.6
95.08621	3.2
97.02898	1.4
99.04453	0.8
100.11260	1.1
102.38264	0.7
105.03403	0.8
105.07041	3.1
107.08604	0.8
109.02884	1.0
109.10222	0.7
119.04950	4.0
119.08546	1.1
121.10155	1.0
127.03847	0.9
133.10146	0.8
145.10172	0.9
147.04399	20.1
147.79498	0.7
148.04784	4.4
150.69615	0.7
159.11763	0.9
167.03201	1.1
184.07333	1.7
208.12213	0.9
209.04158	0.9
269.06339	1.2
311.07425	1.0
329.08200	5.9
331.07901	3.1
373.08881	5.4
391.09875	34.0
481.27051	0.8
674.91852	0.8
679.18378	100.0
680.18530	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	679.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45856	0.6
55.01863	0.9
55.05500	6.2
56.69253	0.7
57.03419	1.5
57.07064	1.0
60.08149	1.0
61.02905	0.7
67.05489	7.8
69.03417	4.3
69.07054	5.0
70.06581	0.8
71.04976	1.5
79.05479	4.0
81.03407	6.0
81.07041	11.1
83.04968	3.3
83.08633	1.1
84.29499	0.7
85.02878	3.9
85.06544	1.0
86.06036	0.7
86.09695	6.7
87.04450	0.9
87.07758	0.9
91.05466	7.9
92.09167	1.0
93.07014	11.3
95.04966	3.5
95.08595	8.3
97.02866	1.6
97.06519	3.5
97.10178	3.7
99.04428	1.8
105.03371	6.0
105.07026	6.9
107.08576	10.7
109.02886	4.8
109.06528	4.2
109.10140	7.5
111.04377	1.0
119.04897	8.0
119.08559	8.7
121.02860	1.7
121.06510	1.1
121.10114	5.8
123.04401	1.6
123.08073	1.7
123.11699	3.4
124.99976	4.8
125.09626	1.5
127.03907	5.0
131.08574	4.9
133.10095	6.6
135.08073	1.8
135.11656	1.8
137.05977	1.7
137.09605	1.4
139.03896	1.8
143.08582	1.0
145.04964	1.0
145.10094	5.7
147.04395	48.7
147.11693	4.4
148.04770	1.6
149.09618	1.1
151.11218	1.1
157.10071	3.2
159.08098	1.4
159.11690	5.0
161.09557	1.3
161.13318	1.8
163.03899	1.0
163.11099	0.9
165.09085	1.2
165.12776	1.0
169.02617	4.6
169.04913	1.5
173.13269	1.2
175.11107	1.4
177.05531	1.1
177.09128	1.0
179.03365	10.3
181.04973	0.9
184.07304	15.5
187.15012	0.9
189.12834	0.9
191.03073	1.3
199.14722	1.0
201.16493	1.2
209.04210	3.2
213.12917	1.0
251.05219	9.5
269.06369	4.0
301.21649	1.9
311.07349	3.3
313.20444	0.9
329.08395	6.6
355.07764	1.5
415.09961	7.7
427.28317	3.4
428.28787	1.2
445.29449	4.7
446.29834	3.4
475.12009	100.0
476.12482	1.0
507.41989	0.9
557.78308	1.0
679.18304	88.1
679.36530	3.7
680.18579	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05515	0.4
53.03941	0.5
55.05477	0.6
61.02925	0.6
67.05498	2.2
69.03410	2.4
69.07073	1.0
71.04969	0.6
79.05476	1.1
81.03404	2.2
81.07049	2.7
83.01084	1.1
83.08606	0.6
85.02901	2.7
85.06578	0.6
86.09715	0.7
91.05458	3.7
92.05828	0.7
92.09016	3.7
93.07025	3.6
95.04941	1.0
95.08591	2.4
96.31961	0.5
97.02869	3.6
97.06503	0.7
97.10132	0.6
99.04408	0.6
102.51160	0.5
105.03396	1.0
105.07024	3.5
107.08604	3.7
109.02914	2.4
109.06520	1.1
109.10152	0.9
111.08133	0.7
113.05988	0.6
119.04939	6.9
119.08567	2.3
121.10138	2.3
125.06030	0.6
127.03868	0.8
131.08589	1.1
133.10118	1.3
137.06001	0.6
143.08566	0.8
145.10158	0.7
147.04395	24.2
147.11772	0.5
148.04712	5.9
149.02237	0.6
149.04959	2.8
150.05188	0.6
151.07539	0.8
151.11107	0.5
157.10162	0.9
159.11752	0.8
161.09616	1.0
164.24281	0.6
167.03220	2.5
167.07059	0.7
169.02626	2.3
171.43445	0.5
184.07352	2.5
184.21806	0.4
185.04292	2.1
187.03641	1.2
209.04280	2.4
227.05310	2.3
245.06314	3.7
251.05228	0.9
269.06467	1.9
287.07364	2.0
311.07278	1.0
329.08521	6.4
331.07693	1.2
373.08926	7.9
391.09909	34.8
415.10083	0.9
426.08743	0.5
433.10959	8.1
475.12006	0.9
609.69592	0.6
679.18329	100.0
680.18835	2.1
709.78485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07277	0.4
55.05491	2.4
55.05767	0.5
57.03420	0.5
57.07048	0.8
58.06580	0.5
60.08146	9.4
65.98687	0.4
67.05486	6.0
68.08723	0.4
69.07030	2.0
71.04937	0.6
71.07355	3.6
71.78076	0.4
72.96189	0.4
77.48987	0.6
79.05457	3.3
81.07024	5.3
83.04974	0.5
83.08555	0.7
86.09684	49.8
91.05450	3.6
92.08917	1.8
93.07016	4.3
95.04942	0.7
95.08578	4.6
97.06501	1.6
98.98442	4.7
104.10709	2.9
105.07011	3.5
107.08553	2.7
109.10130	3.1
117.06988	1.2
119.08547	1.1
121.10131	0.6
124.99973	35.8
129.07010	0.5
131.08516	1.9
133.10080	0.7
141.29030	0.5
145.10124	0.9
147.11626	0.7
149.05638	0.6
184.07292	100.0
203.17908	1.1
213.08644	0.6
214.02036	0.6
365.22729	0.7
537.40686	0.5
678.36584	0.7
678.46887	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	678.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.6
53.03917	0.4
55.05261	0.5
55.05500	7.7
57.03418	0.6
57.07070	3.3
59.04970	0.6
65.63977	0.4
67.05491	12.2
69.03412	8.4
69.07052	26.6
71.04958	1.6
71.08595	0.7
72.54715	0.3
79.05470	4.6
81.03384	2.1
81.07030	18.9
83.04950	0.7
83.08602	5.1
85.02875	1.4
85.06527	0.9
88.07607	0.8
91.05461	4.7
93.07022	10.0
95.04921	1.5
95.08580	43.3
97.02860	0.7
97.06495	1.7
97.10133	1.8
99.04397	0.8
99.08076	0.5
105.06364	0.3
105.07001	12.7
107.08573	14.8
109.02871	0.8
109.06554	0.5
109.10133	29.3
111.08080	0.4
111.11742	0.6
113.09647	0.5
115.89336	0.4
117.07005	1.8
119.08547	11.6
121.10110	13.6
123.08034	9.0
123.11673	6.2
127.03859	1.6
128.06180	0.4
129.06999	1.7
131.08528	5.5
133.10089	15.9
135.08133	0.5
135.11664	8.0
137.09630	0.5
137.13246	1.8
141.06844	0.4
141.09077	19.3
142.07794	1.9
143.08548	5.5
144.09367	0.7
145.10092	10.9
147.11659	8.7
149.09702	0.6
149.13246	3.8
155.08513	2.9
156.09319	1.9
157.10098	11.1
158.10869	0.5
159.10349	0.7
159.11655	15.0
161.09628	0.6
161.13197	5.1
163.11171	0.6
163.14752	1.8
165.16350	0.6
167.08498	0.7
168.09276	0.7
169.10095	6.3
170.10863	2.4
171.08043	4.1
171.11649	8.8
172.12408	0.5
173.13211	8.8
175.14729	3.5
177.16360	1.8
179.08495	0.3
179.18045	0.4
180.09415	0.5
181.10097	2.4
182.10861	0.5
183.11649	7.4
184.12482	1.7
185.09610	1.3
185.13219	10.5
186.14023	0.7
187.06015	1.9
187.11192	0.8
187.14783	5.7
189.12735	1.4
189.16331	1.9
193.04953	0.6
193.10081	1.6
194.10950	0.7
195.11635	3.6
196.12454	1.5
197.13223	5.4
199.11165	0.7
199.14796	7.7
201.12650	1.6
201.16330	6.9
203.14253	2.7
203.17889	1.9
205.07059	2.4
205.15816	0.4
207.11646	2.0
208.12473	2.2
209.13211	4.8
210.14088	0.4
211.14809	5.2
212.15602	0.4
213.12833	0.5
213.16331	4.9
215.17924	2.0
217.15822	2.5
221.13245	0.8
222.13983	1.6
223.14754	4.6
224.15585	0.6
225.16330	3.4
227.17860	3.5
229.15820	0.5
229.19463	1.4
231.13655	0.4
231.17430	0.8
235.14763	0.7
237.16316	6.1
238.17018	0.4
239.17902	2.4
241.15759	0.5
241.19562	0.5
243.17366	0.7
243.21143	0.8
249.16399	1.5
250.29756	0.4
251.17854	3.9
253.19507	2.3
255.17409	3.9
255.21075	0.5
256.26395	1.6
257.19037	0.6
257.26514	0.9
261.18649	0.5
263.17871	0.6
265.19543	2.6
267.21036	1.3
269.19003	0.8
269.22577	0.7
271.20303	0.5
273.18402	10.8
275.20068	0.8
277.19455	0.7
279.20996	0.8
287.19998	5.3
289.21671	0.7
291.21149	0.7
292.21594	0.4
293.22534	0.7
295.20566	0.5
295.23926	0.4
297.22025	0.8
301.21606	1.9
315.23172	2.8
321.25632	5.3
335.27075	0.4
339.26709	5.7
339.30328	0.5
355.26086	0.5
357.27521	0.7
403.33463	8.4
421.34525	15.8
430.85941	0.4
439.35605	100.0
440.36029	2.0
494.64233	0.4
548.67383	0.4
571.67511	0.4
625.40631	0.5
643.42004	0.7
677.54004	0.6
678.54840	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.01870	6.2
55.05505	13.4
56.20309	0.7
56.97616	0.6
57.03428	14.3
57.07067	0.9
59.04989	1.0
61.02906	3.7
65.03915	1.3
67.05490	44.3
69.03410	6.9
69.07046	12.4
71.04980	5.9
73.02888	2.8
76.56056	0.6
79.05477	22.4
79.05951	0.8
81.03394	41.6
81.03875	1.5
81.07039	41.6
83.04967	14.3
83.08606	14.6
85.02884	18.8
85.06527	6.8
87.04443	0.9
91.03896	1.5
91.05459	43.7
92.08639	1.5
92.09258	3.6
93.07028	22.8
93.54602	0.6
95.04947	20.8
95.08578	9.6
97.02882	3.7
97.06491	5.5
97.10146	3.7
99.04417	3.2
99.08043	0.7
105.03371	5.5
105.07014	36.5
105.13934	0.6
107.04950	6.2
107.08575	32.6
109.06507	6.6
109.10140	53.9
111.04412	1.4
111.08061	6.7
113.05994	4.9
117.07003	1.7
119.08558	14.7
121.06520	0.9
121.10119	6.8
123.04340	0.8
123.08098	1.3
123.11682	10.3
125.09580	1.6
127.03922	1.0
127.07560	3.0
129.06981	6.4
131.08527	9.0
133.06459	1.2
133.10104	73.3
135.08058	0.7
135.11690	1.0
137.05989	0.8
137.09584	1.6
142.07730	1.0
143.08560	1.2
145.10091	1.4
147.04408	0.8
147.08020	2.7
147.11679	8.2
149.09587	5.0
151.11153	29.8
157.10091	8.8
161.09599	3.0
161.62778	0.7
163.03923	1.0
163.11150	1.3
165.12766	2.8
169.12213	4.2
175.11142	8.6
178.64238	0.7
179.10663	0.9
184.07312	3.1
193.12225	26.8
200.32008	0.7
201.75587	0.7
211.13246	29.0
215.12808	1.2
253.14290	100.0
254.14731	1.0
267.15912	6.5
271.15347	22.5
285.16873	20.7
285.19989	0.8
445.25711	8.4
463.26770	17.9
481.27850	61.8
483.64194	0.7
495.58353	0.8
625.14551	0.8
678.36719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.6
53.03923	2.1
55.01866	5.6
55.05275	0.6
55.05505	12.5
57.03176	0.6
57.03429	10.3
57.07056	0.6
59.04992	0.6
60.10589	0.4
61.02621	0.5
61.02912	4.4
61.16302	0.5
65.03911	1.0
67.05490	33.9
69.03412	6.0
69.07052	10.9
71.04980	6.5
73.02897	1.3
73.06555	0.5
79.05470	22.1
81.03397	35.4
81.07037	40.4
81.09981	0.5
82.07323	0.6
83.04530	0.7
83.04968	13.9
83.08598	13.6
85.02890	14.5
85.06522	5.1
86.09688	1.2
87.24294	0.5
91.03915	0.8
91.05459	37.5
92.08984	4.2
93.07021	18.8
95.04405	0.8
95.04945	16.4
95.08583	9.3
97.02859	3.7
97.06528	6.1
97.10125	3.2
99.04408	2.3
99.08065	1.1
105.03391	4.1
105.07012	34.0
107.04924	5.0
107.07861	1.0
107.08575	27.5
109.02882	0.6
109.06496	6.3
109.10136	48.3
109.96110	0.5
111.04408	1.0
111.08048	6.3
113.05964	3.1
115.05408	1.0
117.06979	2.3
119.04880	0.5
119.08543	9.9
121.06435	1.1
121.10113	5.1
123.08014	3.3
123.11678	8.5
125.09612	2.5
127.03863	0.7
127.07536	3.2
128.06102	0.6
129.06976	6.1
130.73433	0.6
131.08527	7.7
133.06485	1.1
133.10106	64.2
135.07999	0.9
135.11702	1.2
137.09615	1.3
142.07724	0.7
143.08505	0.9
145.10147	1.1
147.07970	1.1
147.10757	0.6
147.11681	9.3
149.09587	3.6
151.11157	29.5
155.03520	0.5
157.10098	7.9
159.11635	0.7
161.05956	0.7
161.09558	2.4
163.11201	1.1
165.12755	2.1
169.12207	4.3
175.11163	7.2
177.05418	0.6
179.10612	1.0
184.07181	1.6
191.92122	0.5
193.12193	23.8
200.29944	0.5
205.74367	0.6
211.13257	29.1
215.12788	0.8
216.39360	0.5
253.14287	100.0
254.14644	0.7
267.15778	5.8
271.15350	22.4
285.16922	19.9
422.93622	0.6
445.25769	6.7
463.26810	19.8
481.27856	57.6
482.28091	0.5
650.37152	0.7
677.35541	0.6
678.35699	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	677.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80457	1.6
53.03937	3.0
55.05503	19.2
57.03419	11.6
57.07074	2.7
61.02679	1.7
61.02919	29.4
64.53938	1.6
65.03931	1.7
67.05141	3.3
67.05494	82.2
69.03410	3.5
69.07068	19.6
71.04988	2.5
73.02898	16.0
75.04430	1.7
78.88620	2.0
79.05476	67.9
81.03415	7.2
81.07040	100.0
83.04942	2.1
83.08596	4.6
85.02897	34.4
85.06526	2.7
88.19041	1.8
91.03936	23.5
91.05471	30.6
92.09067	8.6
93.07027	88.6
95.04945	8.7
95.08591	76.3
97.02876	14.6
97.06486	2.8
103.03915	1.9
105.07013	26.5
107.08577	48.7
109.06508	3.4
109.10162	37.7
117.06979	12.5
119.08575	20.7
121.10126	42.1
123.08057	2.0
123.11703	14.6
127.03892	6.7
131.08551	26.1
133.09157	1.6
133.10126	21.1
135.11681	28.5
137.13184	2.7
145.04930	9.8
145.10127	27.0
147.11685	15.2
149.13234	21.5
154.68634	1.9
156.53632	2.0
159.11668	17.2
161.13232	10.7
163.06000	14.2
163.14775	11.9
173.13214	17.6
175.14781	3.8
177.16335	3.7
187.14813	4.4
201.16399	3.1
205.15897	2.0
243.21021	24.2
261.22079	73.9
335.25696	13.5
353.26855	35.9
447.27448	2.2
448.27655	2.2
677.35016	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	678.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82388	0.1
55.51368	0.1
56.04999	0.5
56.08694	0.1
57.35786	0.2
58.06597	0.3
58.83997	0.1
60.08150	8.7
67.05485	0.3
69.07040	0.2
70.32066	0.1
71.07358	4.1
79.05486	0.2
81.07038	0.3
83.88097	0.1
85.02898	0.3
85.94402	0.1
86.09688	43.3
89.58021	0.2
91.05450	0.4
92.09135	0.3
93.07037	0.6
95.04906	0.3
95.08572	0.2
96.67707	0.1
98.98441	3.5
104.10735	2.7
104.11417	0.2
105.03370	0.2
105.07013	0.3
107.08588	0.6
109.10174	0.6
119.08606	0.2
119.31339	0.2
121.10095	0.2
124.99978	32.0
133.10089	0.4
147.04355	1.7
148.04762	0.3
157.10069	0.2
158.69102	0.2
158.99217	0.2
184.07303	100.0
185.07576	0.3
301.21603	0.3
352.78732	0.2
377.54907	0.2
433.10974	1.3
468.23016	0.2
543.95245	0.2
571.29980	0.2
678.36017	15.4
679.18280	3.9
679.36719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.7
53.03943	2.5
55.01863	23.8
55.05503	45.4
55.56399	1.8
56.96568	3.5
57.03429	43.3
57.07089	3.2
61.02904	9.5
67.05489	84.2
67.05849	3.0
69.03389	8.7
69.07049	26.3
71.01318	5.6
71.04982	16.2
73.02892	8.9
79.05478	73.0
81.03399	34.9
81.07033	58.6
82.04153	4.2
82.07345	2.3
83.04963	35.3
83.08590	20.2
83.15649	2.1
85.02883	15.3
85.06536	4.2
89.06019	3.5
91.03927	3.8
91.05459	46.6
93.07021	81.3
93.07571	4.0
95.04942	31.4
95.08585	27.8
97.02866	13.5
97.06513	21.0
97.10149	27.1
97.23867	2.2
98.07329	2.9
98.97581	3.9
99.04372	2.6
100.24273	2.7
100.85278	2.5
100.86646	2.4
105.03368	4.1
105.07020	28.0
107.04946	14.1
107.08579	60.4
108.08817	2.4
109.06518	12.2
109.10139	23.9
111.08086	9.5
116.04705	16.8
116.98573	4.1
117.07020	15.5
119.08540	23.3
121.06466	5.0
121.10138	16.1
123.04501	3.1
123.08063	10.3
125.09600	11.0
127.03864	2.8
129.05479	30.7
129.06981	2.9
131.08530	11.8
133.10114	18.7
134.99663	5.2
135.08083	2.5
135.11676	68.4
137.09561	7.7
143.07013	5.9
143.08543	3.4
145.10114	20.6
147.11696	4.8
149.09612	3.0
153.12770	3.3
157.08543	10.8
157.10120	4.5
158.05725	3.3
163.11169	19.4
175.11214	3.3
181.12250	15.2
184.07317	12.7
189.11206	4.0
193.12236	4.2
199.13269	11.2
208.61040	2.5
209.11768	3.9
227.12726	9.8
255.15858	65.6
265.14294	3.1
274.08606	2.5
283.15298	10.9
301.16479	37.4
319.22879	3.4
409.25754	15.5
447.27209	4.1
463.26678	14.5
464.27307	4.6
475.45544	2.5
480.30441	3.4
481.27853	100.0
587.29218	3.6
588.28888	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.5
67.05489	5.6
69.07045	2.9
79.05467	2.7
81.03392	7.7
81.07042	3.1
83.08605	1.4
91.05466	3.1
92.08635	3.0
92.09251	7.1
93.07001	2.3
95.04958	2.6
95.08604	2.1
97.02894	1.3
100.38389	1.2
105.07009	1.9
106.27145	1.4
109.10153	3.2
110.11863	1.2
112.04923	1.3
118.34744	1.2
184.07365	1.4
184.74144	1.7
256.26392	1.7
347.09256	2.0
454.72171	1.7
466.15613	1.7
504.37363	2.8
505.37747	3.3
515.31897	34.1
677.37006	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	677.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.5
53.03930	1.3
55.01872	1.1
55.05502	15.6
57.03425	8.1
57.07066	3.8
57.61116	0.5
61.02911	21.7
62.63642	0.5
62.80688	0.6
63.81047	0.6
65.03935	3.1
67.05489	86.8
68.72878	0.6
68.86118	0.5
69.03407	2.7
69.07050	16.4
71.04970	3.0
73.02902	9.3
75.04472	1.1
79.05472	53.6
81.03408	2.7
81.07036	100.0
83.04976	1.1
83.08610	8.2
85.02890	22.2
85.06506	2.1
91.03925	17.6
91.04450	1.0
91.05460	25.5
92.08958	3.1
93.07020	70.3
95.04950	4.7
95.08581	78.9
97.02867	9.3
97.06509	4.6
97.10154	3.0
99.04440	0.7
99.08072	1.4
105.04512	0.8
105.07013	19.3
107.08575	43.3
109.06496	2.9
109.10142	38.2
111.08065	1.4
113.09632	1.0
115.03892	1.0
117.06989	10.5
119.08558	21.6
121.10126	35.0
123.08061	1.2
123.11673	14.0
127.03900	4.5
129.07033	0.7
131.08536	23.9
133.10097	15.8
133.11021	0.9
135.08018	0.7
135.11661	28.3
135.12674	1.2
136.40819	0.5
137.09555	0.7
137.13246	5.8
139.11113	0.8
143.08540	0.7
145.04941	6.3
145.10078	18.0
147.11667	10.5
149.13223	21.9
151.11108	1.4
151.14787	1.2
153.12749	0.8
159.11662	13.9
161.13210	9.6
163.05977	6.1
163.11104	0.7
163.14784	9.1
165.12755	0.9
173.13216	14.2
175.14824	3.1
177.16335	4.6
179.14262	1.4
187.14771	8.2
201.16367	3.0
205.15919	0.7
215.17851	0.8
219.17424	0.8
233.22646	1.4
243.21021	22.2
261.22067	63.4
263.23138	0.6
279.23203	2.8
335.25745	20.2
353.26794	29.3
474.77368	0.7
497.30829	4.0
624.38025	0.8
677.31195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.39
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65313	0.9
53.03926	4.1
54.81500	0.9
55.01860	4.5
55.05505	30.6
57.03172	1.9
57.03429	30.9
57.07067	2.6
58.08860	0.8
61.02913	9.4
65.03922	1.2
67.05492	70.8
68.05822	1.0
69.03410	7.4
69.07053	31.0
71.01336	1.6
71.04980	10.7
73.02898	1.3
76.41302	1.1
76.64569	1.0
79.04997	1.5
79.05470	54.3
81.03399	78.6
81.07037	94.7
83.04964	21.3
83.08603	34.2
83.09088	1.5
83.71511	0.9
85.02890	35.2
85.06529	6.4
91.03932	2.5
91.05458	50.1
92.09184	1.1
93.07021	74.8
95.04947	32.8
95.05512	1.6
95.08588	26.7
97.02864	8.0
97.06507	14.3
97.10146	4.1
99.04409	1.3
99.08048	2.0
105.03378	2.5
105.07014	33.7
106.09962	1.1
107.04952	8.2
107.08569	35.4
109.06514	6.7
109.10150	7.2
111.04419	2.2
111.08064	18.5
111.61009	1.0
113.06016	1.2
116.78902	1.1
117.07021	9.6
119.08557	25.4
121.06491	1.9
121.10118	27.1
121.10970	1.4
123.08047	5.0
123.11694	2.1
124.66879	1.1
125.09605	1.8
129.06978	11.8
130.02913	0.9
130.97615	1.1
131.08536	22.8
133.06485	5.2
133.10114	21.7
135.08000	2.1
135.11668	6.8
135.30658	1.2
137.09575	2.5
139.07613	1.0
142.07762	1.9
145.10109	2.5
147.08012	1.8
147.11662	18.2
149.09587	11.4
149.13235	25.2
157.10095	19.5
159.11639	11.7
163.11261	1.2
165.12773	2.6
175.11157	17.6
177.12691	7.7
193.12201	40.1
195.13799	9.9
195.16040	1.0
211.13248	43.3
267.15857	26.0
269.17410	51.4
277.02457	1.3
285.16937	36.7
435.27267	1.3
461.22318	2.4
461.28885	72.7
479.29947	100.0
480.29898	2.1
574.50055	1.4
701.47083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.3
56.05012	0.5
57.07058	0.3
60.07864	0.3
60.08150	7.4
67.05478	0.5
69.07029	0.4
71.07362	3.9
71.92886	0.3
79.05459	1.2
81.07029	1.1
84.38779	0.3
86.09689	49.4
91.05492	0.4
92.08601	0.4
92.09120	1.7
93.07040	0.4
95.08578	0.3
96.57795	0.3
97.10109	0.3
98.98436	3.7
104.10722	3.7
105.07000	0.5
107.08557	0.6
109.10189	0.3
124.99979	31.2
143.01076	0.5
184.07303	100.0
327.98502	0.3
338.24789	0.3
361.42017	0.3
401.27881	0.3
403.74301	0.3
431.75287	0.3
459.04114	0.3
605.87140	0.3
640.89014	0.3
676.45380	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	676.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
54.96017	1.2
55.01855	1.8
55.05502	14.7
56.10901	1.3
57.03427	14.6
57.07063	1.3
61.02928	2.2
63.29456	1.6
64.65746	1.2
67.05492	44.9
69.03407	2.7
69.07056	22.1
71.04977	6.2
73.02896	1.4
79.05471	30.4
81.03398	13.9
81.07037	84.2
82.03758	1.8
83.04971	7.6
83.08607	10.7
85.02900	6.4
85.06521	3.2
91.03938	1.4
91.05467	19.7
93.07028	35.5
95.04951	9.8
95.08589	24.0
96.13846	1.3
97.06512	10.7
97.10162	2.4
99.08081	2.6
105.07002	28.8
107.08576	27.7
109.06494	6.7
109.10158	2.7
111.08092	5.8
117.07004	5.6
119.08560	18.1
121.06429	1.6
121.10103	23.8
123.08045	2.7
123.11676	20.6
129.07030	2.2
131.08539	11.6
133.10126	9.7
135.08092	1.6
135.11722	2.3
144.68959	1.8
147.11668	38.8
149.13248	19.3
159.11696	7.1
163.11133	2.0
165.12764	15.4
180.38596	1.6
193.12177	1.9
194.12621	1.5
195.13812	2.4
236.66298	1.5
267.15808	42.8
267.20291	2.0
268.16180	2.6
269.17426	34.7
285.16910	22.7
317.93054	1.5
478.28659	6.4
479.29886	100.0
484.16302	3.5
488.50916	1.7
497.17719	3.1
498.18298	12.4
645.24884	2.7
676.26660	30.3
677.26184	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	676.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33376	0.1
53.03928	0.2
55.05502	0.7
56.05028	0.7
57.03429	0.2
57.07054	0.2
58.06596	0.3
60.07860	0.4
60.08152	8.5
64.33482	0.2
67.05505	1.5
69.03417	1.0
69.07065	0.5
71.04990	0.4
71.07357	4.0
79.05482	1.5
81.03399	1.7
81.07037	2.3
83.04960	0.8
83.08619	0.7
85.02897	0.9
85.06555	0.3
86.09692	48.2
91.05455	1.5
92.08957	1.0
93.07026	2.1
95.04980	0.9
95.08591	1.9
95.10136	0.2
97.02873	0.3
97.06456	0.2
97.10163	0.5
98.98450	4.0
104.10731	3.1
105.03384	2.8
105.07021	1.7
107.04931	0.3
107.08582	1.8
109.02881	0.2
109.06511	0.4
109.10143	1.0
111.04418	0.4
111.07996	0.2
119.08590	1.0
121.06435	0.2
121.10126	1.1
123.04420	0.2
123.11687	0.4
124.99984	33.6
125.09595	0.3
129.07033	0.3
131.04901	0.2
131.08554	0.4
133.10115	0.9
135.11700	0.3
136.67625	0.2
137.05956	0.2
137.09592	0.2
143.01053	0.4
145.10077	0.7
147.04370	0.4
147.11700	0.7
149.09572	0.3
151.11270	0.3
157.10141	0.2
159.11743	0.4
161.09615	0.2
163.11143	0.2
165.09111	0.3
167.07047	0.8
171.11731	0.2
173.13344	0.2
184.07310	100.0
185.07709	0.3
193.08444	0.2
218.60864	0.2
255.11266	0.4
357.14325	0.3
357.18893	0.3
461.28967	0.8
478.28748	0.4
493.27551	0.2
676.34467	12.1
677.34601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33376	0.1
53.03928	0.2
55.05502	0.7
56.05028	0.7
57.03429	0.2
57.07054	0.2
58.06596	0.3
60.07860	0.4
60.08152	8.5
64.33482	0.2
67.05505	1.5
69.03417	1.0
69.07065	0.5
71.04990	0.4
71.07357	4.0
79.05482	1.5
81.03399	1.7
81.07037	2.3
83.04960	0.8
83.08619	0.7
85.02897	0.9
85.06555	0.3
86.09692	48.2
91.05455	1.5
92.08957	1.0
93.07026	2.1
95.04980	0.9
95.08591	1.9
95.10136	0.2
97.02873	0.3
97.06456	0.2
97.10163	0.5
98.98450	4.0
104.10731	3.1
105.03384	2.8
105.07021	1.7
107.04931	0.3
107.08582	1.8
109.02881	0.2
109.06511	0.4
109.10143	1.0
111.04418	0.4
111.07996	0.2
119.08590	1.0
121.06435	0.2
121.10126	1.1
123.04420	0.2
123.11687	0.4
124.99984	33.6
125.09595	0.3
129.07033	0.3
131.04901	0.2
131.08554	0.4
133.10115	0.9
135.11700	0.3
136.67625	0.2
137.05956	0.2
137.09592	0.2
143.01053	0.4
145.10077	0.7
147.04370	0.4
147.11700	0.7
149.09572	0.3
151.11270	0.3
157.10141	0.2
159.11743	0.4
161.09615	0.2
163.11143	0.2
165.09111	0.3
167.07047	0.8
171.11731	0.2
173.13344	0.2
184.07310	100.0
185.07709	0.3
193.08444	0.2
218.60864	0.2
255.11266	0.4
357.14325	0.3
357.18893	0.3
461.28967	0.8
478.28748	0.4
493.27551	0.2
676.34467	12.1
677.34601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
54.37629	0.1
54.81345	0.2
55.05486	1.2
56.05016	0.5
56.13759	0.2
57.03416	0.4
60.07862	0.3
60.08150	8.2
64.63667	0.2
67.05493	1.6
69.03399	1.5
69.07047	0.4
71.04957	0.3
71.06985	0.3
71.07349	3.7
74.71890	0.2
75.11141	0.2
79.05476	2.0
81.03389	2.1
81.07023	2.8
83.04955	0.4
83.08588	0.8
85.02871	1.4
85.06554	0.4
86.09684	46.5
86.94169	0.2
91.05446	1.6
93.07034	1.8
95.04930	1.1
95.08570	2.0
97.02859	0.8
97.06496	0.4
97.10167	0.2
98.98437	3.6
99.04417	0.3
104.10703	3.3
105.03363	4.0
105.06994	1.4
106.03699	0.5
107.04905	0.2
107.08546	1.3
109.02858	0.8
109.06461	0.3
109.10149	1.0
111.04460	0.8
117.06984	0.3
119.08542	1.7
121.10100	1.2
123.04424	0.5
123.08114	0.2
123.11701	0.4
124.99973	32.4
125.09608	0.4
127.03909	0.5
129.07004	0.2
131.08505	0.8
133.10100	0.8
135.08035	0.3
137.05981	0.4
140.54253	0.2
143.00958	0.3
145.10078	0.5
147.04402	1.2
147.11642	1.0
149.09601	0.3
149.13264	0.2
151.07524	0.3
157.10132	0.5
159.11630	0.3
161.09560	0.3
163.07593	0.2
163.11127	0.3
165.09091	1.0
167.07034	1.8
184.07291	100.0
185.07709	0.3
187.83717	0.2
268.32159	0.2
285.10226	0.2
291.67273	0.2
339.17810	0.3
357.18979	0.4
361.16226	0.2
362.16595	0.3
461.28879	1.0
477.28571	0.4
478.28769	0.5
524.04852	0.2
573.38806	0.2
676.34381	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
53.23668	0.4
54.41506	0.4
55.01867	0.9
55.05504	5.6
56.82798	0.5
57.03429	6.5
58.28218	0.6
61.02913	10.8
67.05489	7.6
69.03400	3.4
69.07040	3.4
70.06557	0.6
70.56815	0.5
71.04963	2.4
73.02893	4.5
79.05473	8.7
81.03399	100.0
81.07030	11.0
83.04974	5.8
83.08600	22.3
85.02892	12.7
91.03939	9.1
91.05455	10.9
93.07029	7.7
95.04947	32.6
95.08591	2.8
97.02863	6.8
97.06518	0.6
97.10120	0.8
99.04420	0.9
105.03374	2.0
105.07014	10.5
105.07678	0.9
107.04944	8.3
107.08601	5.2
109.02859	1.1
109.06468	2.6
109.10142	8.5
110.07162	4.7
111.04407	2.0
111.08067	10.0
115.05409	0.8
119.04941	1.2
119.08558	12.3
121.06471	2.3
121.10134	6.0
123.04383	4.4
123.08028	2.1
123.11713	0.6
127.03911	2.3
129.06978	10.5
131.08534	9.0
133.06503	3.7
133.10100	5.2
135.11613	0.6
137.05956	0.7
137.09621	1.1
142.07751	2.0
145.04921	2.1
145.10092	2.2
147.04387	2.4
147.08022	4.1
147.11670	9.0
149.09605	6.8
151.11119	4.5
156.07652	1.1
157.10103	13.5
163.05975	3.3
163.11166	1.2
165.12694	2.1
169.12227	0.6
173.09621	0.8
175.11147	14.9
176.41362	0.6
189.12741	1.1
193.12209	64.1
194.12587	0.8
207.13753	0.6
211.13268	5.6
235.13222	6.2
245.11111	0.7
249.14871	1.2
259.13269	1.3
267.15866	31.8
273.14853	1.0
274.08563	0.6
285.16898	66.9
286.17197	0.7
301.14279	0.8
309.16931	14.0
327.17938	1.3
343.97641	0.6
351.17908	1.0
363.17868	4.9
375.17822	2.3
391.29330	0.6
393.18930	2.8
411.19827	0.9
429.21149	9.4
447.45679	0.5
518.43756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.3
53.03926	4.1
55.01849	1.7
55.05503	39.2
57.03415	3.7
57.07066	9.9
67.05489	11.4
69.07052	35.2
71.08598	6.8
73.66551	0.9
79.05462	12.1
81.03396	70.3
81.07040	10.9
82.07399	1.2
83.04962	2.0
83.08601	30.9
85.10130	1.5
86.09682	8.3
86.21594	1.0
91.05474	12.6
92.09179	7.5
93.07016	8.3
95.04932	18.1
95.08572	5.2
95.65921	1.0
97.02789	1.0
97.10143	13.5
98.98454	7.1
105.07025	10.1
107.04929	4.4
107.08556	1.8
109.06523	1.4
109.10149	1.5
111.08049	2.4
111.11685	2.2
115.05447	1.5
117.07007	1.5
119.08537	11.7
121.06438	1.4
121.10126	4.4
123.07990	1.1
124.99966	6.5
129.06981	9.5
131.08525	6.1
133.06519	1.2
133.10069	5.0
135.87198	1.0
141.30176	1.0
142.07715	1.1
147.11635	6.0
155.01051	1.3
157.10103	6.8
165.12697	1.4
167.69879	1.0
175.11105	5.9
184.07312	17.8
185.07652	1.8
192.73148	1.0
193.12193	11.3
197.95761	1.0
249.14859	2.3
311.25674	2.0
413.99286	1.1
488.18335	1.0
503.37192	100.0
504.37375	1.9
675.42633	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59829	0.3
55.05504	0.7
55.16629	0.3
56.77385	0.4
57.03428	1.0
57.94619	0.3
61.45901	0.3
67.05495	2.9
69.03432	0.4
69.07046	0.9
71.43449	0.4
79.05473	2.3
81.03398	2.3
81.07040	4.1
82.07385	0.4
83.04960	0.8
83.08600	0.6
85.02872	0.5
88.20020	0.4
91.05469	3.6
92.05846	0.4
92.08780	1.7
92.09316	0.4
93.07021	3.2
95.04945	1.5
95.08595	0.9
97.06521	0.7
102.04478	0.4
105.07067	1.4
107.08599	2.0
107.40920	0.4
109.10159	0.5
111.04423	0.5
111.08064	0.4
117.07021	0.5
119.08562	1.6
121.10124	0.6
127.75883	0.4
131.08589	0.5
135.11717	0.8
145.10153	0.5
147.07924	0.4
147.11667	0.6
152.18414	0.4
175.11322	0.4
241.81020	0.4
267.15979	2.1
360.72723	0.5
445.19174	0.5
453.15784	0.5
454.16589	0.6
467.17572	0.5
468.14191	0.7
469.14883	8.1
470.15311	1.3
471.16537	0.9
477.28369	3.9
478.28860	2.0
481.15204	2.6
482.15869	11.1
483.16580	9.8
484.17380	2.0
485.18484	0.6
495.16965	2.5
496.17346	8.2
497.18127	43.3
498.19022	3.7
510.18567	2.0
511.19687	4.7
512.20526	0.9
515.19147	3.3
528.16302	2.1
538.20392	0.5
541.17047	0.9
542.18042	2.5
555.18719	2.3
556.19476	3.3
557.20251	3.2
569.20276	0.7
571.22516	0.6
577.35352	0.5
616.21649	2.1
643.23877	8.1
644.24591	9.0
645.24298	0.7
657.25513	8.6
675.26514	100.0
676.26660	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	675.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	1.0
53.03934	2.3
55.01874	1.6
55.05504	32.9
57.03417	1.4
57.07066	9.8
63.47161	0.8
67.05497	9.2
69.03399	1.4
69.07050	31.8
71.04994	0.9
71.08601	6.1
73.53101	0.8
79.05470	12.0
81.03396	63.1
81.07038	11.6
82.92953	0.9
83.04939	1.9
83.08597	26.7
85.10165	1.1
90.16550	0.9
91.05459	13.5
92.09068	1.2
93.07007	6.7
95.04948	16.8
95.08582	2.3
97.10141	16.5
98.98436	1.3
105.07011	12.5
106.99789	1.0
107.04933	4.7
107.08561	4.2
107.22243	1.0
109.06488	2.0
109.10102	1.6
111.08054	1.8
111.11712	3.6
119.08577	7.5
119.92062	1.1
121.10110	5.7
129.06978	7.8
130.32889	1.0
130.69026	0.9
131.08537	6.3
133.06468	1.2
133.10072	4.6
142.07741	1.6
147.08044	2.3
147.11685	4.8
149.09595	1.8
149.34802	1.1
157.10065	5.1
167.21552	1.0
175.11113	2.3
193.12198	7.7
249.14771	2.0
258.73254	0.9
267.15765	1.2
411.27383	1.1
429.39420	1.1
503.37204	100.0
504.37863	3.6
508.44427	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.8
55.01857	3.0
55.05499	15.0
57.03172	1.0
57.03427	17.7
61.02907	6.2
63.58757	0.7
67.05489	22.9
67.53652	0.6
69.03407	4.9
69.07059	6.2
71.04958	3.8
73.02884	2.5
79.05471	27.0
81.03396	100.0
81.07034	26.3
83.04972	11.0
83.08597	25.3
85.02884	18.9
85.06521	1.5
91.03915	1.7
91.05457	34.0
92.08977	2.5
93.07019	17.8
93.19527	0.7
95.04942	28.9
95.08585	11.5
97.02885	7.3
97.06503	3.5
97.10135	5.1
99.04445	0.9
105.07009	23.9
107.04948	9.6
107.08590	8.9
109.06512	5.8
109.10139	3.7
111.04420	1.3
111.08073	8.8
113.05960	1.3
115.05412	1.2
117.06995	2.9
119.04924	0.9
119.08568	20.3
121.06493	4.7
121.10098	9.2
123.08050	4.9
125.09615	2.8
129.06978	16.4
131.08545	14.7
133.06483	4.4
133.10107	10.5
135.08018	1.2
137.09567	3.3
142.07776	3.6
145.06464	3.8
145.10112	4.4
147.08028	6.4
147.11659	13.9
149.09564	6.3
157.06473	0.8
157.10088	15.2
163.11171	0.8
165.12668	1.3
171.08009	0.9
171.11752	0.9
173.09497	1.0
175.11119	13.0
193.12198	31.8
195.11676	1.4
211.11304	1.4
211.13208	17.1
249.14723	1.2
255.13725	1.0
267.15845	72.2
273.14780	3.9
285.16904	18.2
309.16864	0.9
341.20941	0.9
349.21527	2.9
367.22623	9.5
385.23590	9.4
403.24606	1.1
433.25732	10.2
441.26370	3.3
459.27307	47.5
460.27600	0.9
477.28387	34.7
519.29297	1.6
585.30206	1.3
641.03064	0.9
673.33600	2.8
674.33789	6.3
675.26117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
54.81804	0.5
55.01862	3.9
55.05264	0.9
55.05505	15.2
57.03429	19.3
57.07050	0.5
58.83960	0.6
59.04989	0.9
60.17300	0.5
61.02920	7.5
65.03927	0.9
67.05141	0.9
67.05493	23.6
69.03416	4.4
69.07060	6.7
69.85312	0.5
71.04984	5.3
72.67168	0.5
73.02897	1.4
79.05474	22.1
81.03400	100.0
81.07038	29.7
81.07398	0.5
81.07529	0.6
83.04969	10.8
83.08604	22.8
85.02892	17.5
85.06515	1.0
89.73227	0.5
91.03957	2.4
91.05463	30.6
92.08858	2.4
92.64130	0.7
93.07015	20.6
95.04946	28.4
95.08585	12.2
97.02876	5.3
97.06506	4.8
97.10146	5.2
99.04440	0.9
99.08076	0.9
105.03366	1.0
105.07013	22.7
105.74609	0.6
107.04950	9.6
107.08584	12.8
109.06503	6.1
109.10161	4.7
111.04424	2.3
111.08069	8.1
113.05939	1.0
115.05438	1.0
117.07001	4.0
119.04912	1.1
119.08562	20.0
121.06475	4.9
121.10115	9.5
123.04432	1.1
123.08038	3.4
125.09596	2.9
129.06972	11.0
131.04854	0.7
131.07610	1.1
131.08534	13.5
133.06459	3.6
133.10107	10.8
135.07996	0.8
135.11693	1.1
137.09575	0.9
142.07710	4.8
145.05493	0.6
145.06451	4.7
145.10107	3.7
147.08020	5.2
147.11658	12.3
149.09578	6.2
149.13199	0.9
155.08572	0.9
157.10117	12.6
159.11606	1.0
163.11156	3.8
165.12732	2.5
169.09772	0.5
173.09637	0.9
175.11131	12.0
193.12207	28.6
195.11710	0.8
211.13235	12.2
212.91417	0.7
213.12762	0.9
231.13814	0.8
245.97902	0.7
249.14780	1.1
266.30225	0.6
267.15854	68.7
269.17352	3.6
273.14719	3.8
283.15375	3.5
285.16867	10.2
349.21689	0.7
367.22638	4.9
368.65738	0.7
385.23627	5.1
405.24286	0.6
415.24530	0.9
433.25781	7.3
441.26300	3.6
459.27332	41.1
477.28369	43.8
497.18439	0.8
501.27628	0.6
519.29504	1.1
673.33423	3.3
674.34265	10.0
675.25970	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.6
55.01871	8.4
55.05499	30.2
56.10574	1.9
57.03426	26.1
57.07064	2.5
59.04999	2.3
59.76709	1.8
61.02908	3.1
67.05492	51.1
69.03416	5.0
69.07059	16.7
71.04967	3.9
73.02922	2.2
79.05473	59.7
80.19875	1.8
81.03400	83.3
81.07040	60.6
83.04963	41.8
83.08603	23.7
85.02883	23.5
85.06522	3.0
91.05459	89.3
92.09013	9.1
93.07018	54.4
95.04943	42.5
95.08588	21.1
97.02899	10.7
97.06499	9.7
97.10153	4.8
99.04413	2.1
103.53247	2.1
105.03408	14.6
105.07010	59.4
107.04935	26.8
107.08591	17.2
109.02906	2.2
109.06513	12.1
109.10144	9.4
111.08053	10.6
117.06978	4.7
119.04900	2.9
119.08546	34.9
121.06472	8.4
121.10126	11.1
123.08084	8.2
123.11682	2.2
129.06976	26.8
131.08549	23.4
133.06506	2.9
133.10107	39.5
135.11668	3.0
137.09595	2.7
142.07748	8.9
145.02850	2.2
145.10095	13.9
147.04370	4.5
147.08003	4.9
147.11646	24.6
149.09616	13.0
157.10129	25.1
163.11110	4.9
165.12758	2.3
167.06935	2.9
175.11171	23.2
177.05399	2.2
193.12206	42.1
211.13234	22.9
267.15842	72.9
269.05206	2.2
285.16800	19.4
441.32828	2.8
456.34619	2.6
459.27325	100.0
477.28326	71.5
526.64081	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	674.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33941	0.3
52.18801	0.3
52.41149	0.3
53.00315	0.6
53.03941	3.1
53.09077	0.3
55.01870	2.2
55.05503	5.2
57.03431	6.6
57.07066	0.7
61.02916	9.6
65.03912	0.5
66.19465	0.3
67.05482	2.9
69.03417	19.2
69.07055	3.9
71.04968	2.6
73.02897	3.6
79.05474	11.3
81.03404	7.3
81.07043	5.2
83.01317	0.5
83.04966	5.1
85.02892	100.0
85.72434	0.3
86.03312	0.4
87.04436	2.6
91.03928	4.4
91.05460	16.2
91.57917	0.3
92.09052	1.9
93.07023	65.8
94.07810	0.5
95.04939	5.7
95.08591	10.1
97.02873	25.3
97.06513	3.6
99.04437	4.6
101.02367	0.6
103.03888	0.5
105.03436	0.5
105.04498	1.4
105.07018	6.5
107.04946	0.9
107.08579	76.8
109.02858	9.3
109.06477	3.5
109.10138	2.2
113.58607	0.3
114.16308	0.4
115.03926	0.9
119.06074	0.7
119.08575	2.5
121.10130	1.8
122.40006	0.4
124.03918	2.8
127.03896	22.8
131.08601	0.4
133.10110	1.4
135.11673	40.5
137.13165	0.4
145.04941	32.2
153.12746	8.7
159.22731	0.4
163.05992	16.7
165.12711	0.5
177.12628	0.4
271.08154	0.5
279.15717	0.6
286.09241	1.6
289.09085	2.0
297.16919	1.6
325.11234	17.6
338.47229	0.4
412.16483	0.5
441.27112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.0
57.03434	1.1
57.74399	0.8
57.90516	0.8
64.01676	0.9
67.05482	5.3
69.07043	1.3
70.97396	0.8
73.95741	0.8
79.05474	3.2
81.07019	4.2
83.08589	1.3
90.82587	0.9
91.05463	1.6
92.63342	0.9
93.07020	3.7
95.08594	1.6
97.06525	1.0
105.07001	2.2
107.08569	1.0
109.08537	1.0
109.10112	2.0
110.59729	0.8
119.08577	1.8
176.41852	1.0
178.62186	0.9
185.48431	0.9
329.59747	0.9
412.15256	3.7
414.17819	7.0
426.16684	3.8
427.17569	1.2
430.16098	3.6
432.18991	1.6
441.19086	18.6
442.19629	4.1
459.20087	2.1
466.16342	1.0
469.12070	1.8
469.18619	41.9
473.17984	10.3
484.13858	1.7
485.17853	1.3
509.17807	1.5
512.16388	1.3
513.17633	43.1
524.20490	1.0
600.21613	4.9
615.24402	100.0
616.24799	6.1
674.25598	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	674.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72675	0.2
53.00256	0.3
53.03937	3.5
54.91932	0.3
55.01848	2.0
55.05495	3.2
57.03423	2.4
57.07055	0.2
59.04984	0.3
61.02906	0.6
62.90314	0.3
67.05486	5.2
69.03414	7.9
69.07054	2.7
71.04967	1.4
77.03876	0.3
77.54133	0.3
79.05471	10.3
81.03394	17.5
81.07038	7.4
83.01325	0.3
83.04947	3.0
83.08601	2.8
85.02886	10.6
85.06510	0.4
86.09695	1.1
91.05455	5.3
92.08617	0.6
92.09183	1.6
93.07022	6.7
95.04944	9.0
95.08584	3.2
96.26656	0.2
97.02868	9.3
97.06505	1.5
97.10139	2.2
99.04405	2.3
101.20877	0.3
103.05432	1.5
105.03368	100.0
105.06996	4.4
107.04923	5.3
107.08563	3.6
109.02132	0.5
109.02845	6.5
109.06486	1.4
109.10120	2.3
109.45751	0.3
111.04447	1.4
111.08075	1.2
115.05444	0.5
117.06994	2.7
119.04916	0.7
119.08557	3.2
121.06495	3.7
121.10099	2.6
123.04399	11.5
123.08015	1.1
123.11687	1.3
124.95316	0.3
124.99957	0.6
125.05966	0.5
125.09657	1.2
127.03897	5.1
128.06204	1.2
129.06984	3.3
131.04904	1.8
131.08540	3.0
133.06473	1.3
133.10107	1.4
135.08035	1.7
135.11632	2.6
137.05933	1.9
137.09598	0.6
145.02843	0.5
145.04956	1.2
145.06467	1.4
145.10094	1.7
147.04395	2.0
147.07990	0.7
147.11682	1.3
149.05943	0.6
149.09615	1.2
149.13229	1.2
151.07509	4.0
153.05467	1.2
153.12767	0.4
155.08499	0.5
157.06491	2.8
157.10098	1.0
159.11670	0.7
161.05933	5.9
161.09583	2.0
161.13277	0.4
163.07513	2.4
163.11064	2.1
165.09068	2.8
165.12614	0.4
166.06215	0.5
167.07001	16.5
167.08383	0.7
171.08025	0.5
173.09639	0.4
174.06752	1.5
175.07529	2.5
175.11197	0.4
177.05510	0.5
177.09067	6.7
179.06984	0.5
179.08525	0.3
181.04999	0.6
181.06677	0.4
181.08562	8.8
181.10150	0.6
181.12199	0.5
182.07240	0.4
184.07265	2.4
187.07497	1.1
189.09041	7.6
189.12773	0.4
190.06175	0.3
191.06979	1.3
191.08629	0.5
191.10712	1.2
193.08569	3.0
193.12196	0.6
195.08138	1.2
195.10085	0.5
197.09666	1.3
207.10190	1.8
209.07886	0.4
211.07555	0.3
211.13235	0.4
219.08087	0.6
221.11736	0.6
223.07515	0.6
223.11177	0.4
225.09026	2.1
227.06914	0.3
227.12726	0.4
235.07458	0.5
236.08391	0.4
237.07382	0.9
239.07030	0.4
249.07458	7.9
251.07018	0.5
251.10721	1.3
253.06079	0.3
253.08368	2.1
255.06602	0.4
255.10306	0.4
256.07379	0.4
257.11725	1.9
261.11337	0.5
265.08438	0.4
267.08566	9.2
267.15869	2.3
269.17398	1.8
279.10117	1.2
282.08881	0.3
283.09698	2.1
283.12897	0.6
283.15665	1.0
285.11148	3.4
296.10321	0.5
299.12543	0.4
302.11414	0.6
309.11258	1.1
311.12741	1.1
315.12308	2.4
317.13629	1.7
329.13831	0.6
341.13757	1.4
343.15298	2.4
361.16373	35.6
371.14771	0.4
373.16272	3.3
383.14990	0.4
385.16339	0.7
451.17523	2.4
459.27432	3.1
469.18515	0.5
477.28366	11.5
493.33759	0.3
495.29373	1.9
556.38904	0.4
570.04944	0.4
609.22754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50915	0.1
53.03938	0.1
65.03924	0.3
67.01839	0.2
68.89825	0.1
69.03413	0.6
81.03400	1.8
85.02872	0.1
90.52502	0.1
91.05463	3.8
92.08801	0.2
92.09312	0.1
97.02874	8.9
99.04449	0.2
109.02142	0.2
109.02870	3.9
119.04922	16.0
120.05177	0.1
127.03885	1.8
139.03880	0.6
147.04395	100.0
148.04756	1.5
165.05440	0.2
169.04892	0.2
222.88931	0.1
273.07477	0.3
351.10684	7.9
352.11276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.1
51.02374	0.3
53.00296	0.1
53.03937	2.2
55.01860	0.5
55.02076	0.1
55.05497	0.3
57.03422	0.9
59.04965	0.1
61.02907	0.6
65.03907	0.1
67.05497	0.5
69.03413	6.7
69.07053	0.1
71.04962	0.8
73.02897	0.3
77.03907	0.5
79.05469	5.3
81.03397	15.7
81.07030	0.7
83.04977	0.3
83.08612	0.1
85.02885	7.9
86.09700	0.1
91.05458	4.1
92.09179	0.1
93.07043	0.5
95.04945	5.2
95.08585	0.4
95.38843	0.1
97.02863	8.9
97.06485	0.1
97.10122	0.1
99.04430	2.1
105.03368	100.0
106.03706	0.4
107.08572	0.3
109.02855	9.2
109.06480	0.1
109.10130	0.4
113.54321	0.1
117.03284	0.1
117.07006	0.1
118.23582	0.1
119.04887	0.1
119.08549	0.3
121.06507	0.1
121.10155	0.1
123.04398	10.1
125.09615	0.1
127.03888	6.2
131.08534	0.1
133.10104	0.2
135.11678	0.1
137.13321	0.1
145.02832	0.1
145.04927	1.5
145.10023	0.1
147.04359	0.1
147.11710	0.1
148.87077	0.1
149.05884	0.1
151.07567	0.1
151.10944	0.1
153.09183	0.1
157.06439	0.1
157.10114	0.1
163.11101	0.1
165.05417	0.3
165.09074	0.3
167.69603	0.1
171.11523	0.1
177.05487	0.3
184.07333	0.1
195.06459	0.1
204.39555	0.1
207.06532	0.1
211.16946	0.1
229.17899	0.1
231.06494	1.2
249.07515	20.3
250.07863	0.1
267.08560	17.5
268.08890	0.2
385.23508	0.1
459.27515	0.6
477.28372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15873	0.1
53.03937	1.1
55.01859	0.2
55.05492	0.1
57.03423	0.4
61.02905	0.2
62.63827	0.1
65.03925	0.5
67.01834	0.4
67.05478	0.2
68.99773	0.2
69.03417	1.9
69.07014	0.1
71.04958	0.4
79.05469	0.3
79.70852	0.1
81.03401	8.1
81.07044	0.6
85.02885	1.5
91.05461	5.7
92.08657	0.2
92.09287	0.4
93.07003	0.2
95.04954	0.2
95.08585	0.4
97.02874	1.4
97.06492	0.2
97.10133	0.1
99.04437	3.6
105.03383	1.7
105.06999	0.2
107.04922	0.1
107.08588	0.4
108.04464	0.9
109.02868	7.9
109.10128	0.2
119.04921	18.4
120.05170	0.1
121.10123	0.2
123.04404	0.2
126.05499	0.1
127.03889	5.3
128.06175	0.1
131.08545	0.2
135.11673	0.2
137.05957	1.0
141.05548	0.1
145.02856	0.4
145.04921	0.1
145.10120	0.1
146.03577	0.1
147.04388	100.0
148.04738	0.9
151.07510	0.4
157.06499	0.2
165.09097	0.2
167.07059	0.2
169.04929	19.0
170.05231	0.1
177.05470	0.6
184.07422	0.1
187.05978	0.6
187.07486	0.2
193.08546	0.1
211.06018	1.5
211.17000	0.2
249.07579	0.2
255.06439	1.3
267.08459	0.1
267.40985	0.1
273.07529	3.4
273.10309	0.1
290.54599	0.1
315.08575	9.1
316.08905	0.1
435.12766	4.3
641.82184	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	674.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
54.82091	0.1
65.03914	0.2
67.01818	0.2
68.41276	0.1
69.03407	0.6
72.70684	0.1
76.81843	0.1
78.41397	0.1
81.03409	2.0
84.31928	0.1
85.02904	0.2
91.05454	4.1
92.08582	0.2
92.09200	0.7
92.64737	0.1
97.02868	8.8
99.02785	0.1
99.04468	0.2
101.52749	0.1
105.03349	0.1
109.02140	0.2
109.02858	4.0
119.04916	16.2
127.03919	1.3
130.62759	0.1
139.03883	0.7
141.35910	0.1
147.04384	100.0
148.04703	0.6
165.05461	0.5
169.04973	0.2
247.77364	0.1
271.72519	0.1
283.80038	0.1
291.08447	0.1
305.73032	0.1
351.10687	5.5
377.07162	0.1
393.11966	0.2
435.46875	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	674.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13919	0.2
53.03920	0.6
55.01857	0.3
55.05496	0.3
57.03409	0.2
61.02903	0.3
65.03909	0.3
67.01828	0.4
67.05474	0.5
68.99744	0.3
69.03402	1.5
76.55863	0.2
77.30048	0.2
79.05459	0.5
81.02945	0.2
81.03397	5.1
81.07021	1.1
83.04943	0.8
83.08566	0.3
85.02901	1.5
85.91344	0.2
86.04047	0.2
91.05459	5.8
92.08750	0.2
93.07014	1.4
95.04946	0.5
95.08582	0.9
97.02871	2.7
97.06493	0.4
99.04428	4.0
105.03365	2.9
105.07018	0.4
107.08574	1.0
109.02134	0.5
109.02854	7.8
109.06468	0.3
109.10127	0.8
111.04433	0.3
114.37520	0.2
119.04918	18.4
119.08546	0.5
121.10148	0.5
123.04372	0.5
123.08067	0.3
125.09579	0.5
127.03876	4.3
133.10121	0.4
135.08069	0.3
135.11676	0.3
145.04893	0.4
147.04381	100.0
147.11726	0.3
148.04704	0.8
154.84206	0.2
157.06529	0.3
157.10066	0.2
165.09062	0.8
165.12666	0.3
167.07051	0.3
169.04922	18.9
177.05487	0.5
187.07471	0.5
207.33063	0.3
211.05971	1.3
255.06433	1.4
273.07516	3.7
315.04916	0.3
315.08533	8.2
435.12833	3.9
460.06827	0.2
541.14807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.34
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
55.05494	1.2
57.03425	1.5
61.10996	0.7
63.33798	0.8
67.05499	1.6
69.03409	1.3
73.53100	0.6
77.43318	0.8
78.04832	0.8
79.05469	0.9
79.40330	0.8
79.80900	0.7
81.03407	5.0
81.07034	4.6
84.07445	0.8
89.06020	0.9
91.05444	1.2
93.07040	1.3
95.08628	1.1
97.02878	3.4
105.07022	1.7
107.08595	0.8
119.08636	1.0
128.22577	0.9
147.04442	0.8
154.54210	0.8
177.66623	0.8
212.71208	0.9
245.06252	8.5
267.15778	1.0
311.21924	7.7
449.89673	1.0
515.28229	14.0
613.32159	5.2
673.33911	100.0
674.34436	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01848	0.2
55.05502	0.5
57.07040	0.1
59.25409	0.1
64.33692	0.1
65.03927	0.2
67.01852	2.5
67.05482	0.7
69.03415	1.1
69.07043	0.8
71.04972	0.9
79.05460	0.8
81.03402	4.8
81.07048	1.0
83.04968	0.3
83.08588	0.2
84.08607	0.1
85.02893	1.8
91.05464	4.7
92.08947	0.1
93.07023	1.0
95.04945	0.7
95.08576	0.8
97.02859	2.4
97.06519	0.5
97.10167	0.2
99.04438	2.1
103.05458	0.1
105.03371	6.4
105.07001	0.7
107.04939	0.2
107.08574	0.8
109.02865	12.3
109.06523	0.5
109.10136	0.9
111.08042	0.1
115.03976	0.2
119.04922	16.6
119.08576	0.2
121.10114	0.1
123.04407	0.8
123.08045	0.2
123.11670	0.2
125.05915	0.1
125.09605	0.2
127.03895	14.9
129.06941	0.1
131.04846	0.1
131.08527	0.3
133.06369	0.2
133.10106	0.5
135.11789	0.1
137.05968	1.2
137.09645	0.2
139.03865	0.6
141.06976	0.3
145.05037	0.2
145.06421	0.2
145.10114	0.3
147.04391	100.0
148.04744	0.7
149.05931	0.2
149.09630	0.1
151.07520	0.5
157.06482	0.2
159.08058	0.5
159.11639	0.1
161.06035	0.2
161.09555	0.2
165.05447	0.5
167.07043	0.3
169.04895	1.2
169.06250	0.2
170.07207	0.2
187.07491	0.7
187.11107	0.2
189.09106	0.2
191.07047	0.2
191.10713	0.1
197.05769	0.1
199.42171	0.1
203.10649	0.2
205.12093	0.1
219.10149	1.0
229.07120	0.8
233.11777	0.2
249.07510	0.7
249.11220	2.2
253.08679	0.2
255.06383	0.7
267.08722	0.6
273.07523	11.5
289.09100	0.5
299.09076	0.2
315.25217	0.3
351.10672	6.9
358.10663	0.1
361.12735	0.8
374.34872	0.1
391.13882	0.2
395.82166	0.1
439.26825	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.7
55.01862	0.7
55.05498	7.0
57.03427	7.2
57.07067	65.4
61.02916	27.4
66.45906	0.5
67.05491	17.8
67.78513	0.5
69.03400	3.7
69.07053	13.5
70.38634	0.6
71.04977	1.1
71.08615	47.6
73.02906	10.0
75.04452	3.3
79.05468	2.5
81.03404	1.5
81.07037	22.5
83.08604	20.9
85.02355	0.9
85.02886	28.3
85.10166	26.1
91.03399	0.8
91.03933	20.3
91.05457	1.1
92.08801	4.5
92.09406	1.3
93.07047	1.4
95.08588	40.9
97.02872	12.9
97.10143	10.7
99.04377	1.2
99.11714	1.3
105.44553	0.6
107.08572	0.9
109.02859	0.7
109.10138	19.3
111.11710	1.4
113.13243	0.7
115.03922	0.9
123.11691	7.9
125.13259	0.7
127.03858	5.6
131.08496	0.7
134.99620	0.8
137.13214	2.9
144.76849	0.8
145.04916	7.8
151.14781	0.9
163.05994	9.5
221.22577	1.3
239.23625	22.3
257.24600	5.6
271.32291	0.6
306.91031	0.8
313.27310	100.0
329.37430	0.7
331.28378	50.2
589.33624	2.8
653.77863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.0
53.08118	1.3
53.40096	1.2
55.05504	13.6
57.03419	9.9
57.96210	1.4
65.03911	1.8
67.05143	2.2
67.05492	41.0
69.07056	11.7
71.04959	1.4
71.55141	1.4
74.43501	1.2
79.05051	2.3
79.05471	41.7
80.62546	1.3
81.03400	7.6
81.06599	2.3
81.07039	48.8
83.04982	11.2
83.08599	8.6
91.04958	2.0
91.05469	32.5
92.08642	2.7
92.09232	3.6
93.07025	55.2
95.04943	13.2
95.08575	20.7
97.02888	1.6
97.06493	7.6
97.10150	3.0
105.07006	21.6
107.04910	2.3
107.08593	19.7
107.64912	1.6
109.06471	2.6
111.08041	2.4
117.06966	6.9
119.08543	15.5
119.97955	1.6
121.10104	7.6
128.82712	1.4
129.06963	6.5
131.08553	6.4
133.10072	8.5
135.11639	3.7
143.08537	3.5
145.10085	6.8
147.04398	2.4
147.11649	17.4
149.13249	15.0
159.11679	6.9
161.13225	2.8
171.11659	9.9
177.12695	1.7
189.12726	2.7
195.13721	1.9
207.13737	6.5
269.17419	24.4
281.17444	16.5
281.67712	1.5
287.05298	1.5
475.30453	100.0
672.28351	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.2
52.34534	0.1
53.03940	3.1
54.29213	0.2
55.05495	0.9
57.03429	1.1
57.07053	0.2
59.04983	0.3
61.02893	0.6
67.05488	0.7
69.03413	7.2
69.07043	0.9
70.06564	0.1
71.04969	0.8
73.02898	0.2
77.03883	0.4
79.05470	5.4
81.03396	10.4
81.07053	1.1
83.04971	0.2
83.08599	0.2
85.02887	11.7
87.04428	0.3
91.05459	0.6
92.09163	0.3
93.07017	1.1
95.04948	5.5
95.08558	1.2
97.02866	7.1
97.03493	0.3
97.06532	0.2
97.10138	0.8
99.04439	1.5
103.03917	0.2
105.03372	100.0
105.06995	0.8
106.03713	0.2
107.04885	0.2
107.08569	0.8
109.02857	7.5
109.06524	0.2
109.10147	0.9
119.08567	0.3
121.10134	0.7
123.04400	13.1
123.08025	0.2
123.11652	0.3
127.03892	6.6
131.08562	0.3
133.10115	0.7
135.11664	0.3
137.09605	0.2
139.03886	0.2
139.11133	0.3
145.04939	1.0
147.04404	0.3
147.11719	0.2
149.09543	0.1
163.03864	0.3
165.05479	0.6
165.09132	0.2
171.68289	0.2
175.14874	0.2
177.05437	0.2
181.04956	0.2
191.14474	0.2
213.07629	0.2
231.06476	3.0
231.08530	0.3
249.07521	11.2
250.07909	0.2
267.08575	25.5
295.22589	0.3
309.09735	0.3
371.13281	0.2
375.10803	0.2
389.14163	0.6
443.88120	0.2
515.15326	0.5
635.63556	0.2
637.97217	0.2
683.82568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02333	0.3
53.00307	0.3
53.03939	5.7
55.01861	1.6
55.05507	4.1
57.03425	3.7
57.07057	0.4
57.92573	0.4
60.96989	0.4
61.02922	0.7
67.05489	4.2
69.03065	0.6
69.03410	9.1
69.07050	4.2
70.06581	0.6
71.01362	0.4
71.04969	2.2
73.02878	0.6
79.05474	9.2
79.36191	0.4
81.03399	23.9
81.07027	6.8
83.04962	2.8
83.08605	3.0
85.02886	9.8
85.06543	0.8
87.37685	0.4
91.05446	5.4
92.08693	2.1
92.09325	1.1
93.07020	9.1
94.07309	0.4
95.04945	12.3
95.08587	5.1
97.02872	11.8
97.06502	3.2
99.00759	0.7
99.04421	3.7
103.05473	0.5
105.03371	100.0
105.07013	5.8
107.04937	4.8
107.08572	6.0
108.04477	1.5
109.02867	10.6
109.06478	2.1
109.10142	4.0
110.10449	0.4
111.04460	0.7
111.08067	2.2
115.05428	2.6
117.05479	0.4
117.07001	4.3
119.04885	0.9
119.08545	4.5
121.06472	1.7
121.10122	6.8
122.03645	0.9
123.04393	8.9
123.08044	0.9
123.11685	0.7
125.05968	1.5
125.09597	0.7
127.03901	7.1
127.07454	0.6
128.06245	0.8
129.05537	0.6
129.06973	2.5
131.04909	2.0
131.08545	3.1
133.06454	0.5
133.10104	3.7
135.08066	2.1
135.11699	1.7
136.33931	0.5
137.05956	19.9
137.09564	0.7
137.43661	0.4
139.07550	0.4
139.11194	0.5
140.16347	0.5
143.04922	2.2
143.07059	0.7
143.08546	0.5
143.42487	0.4
144.05652	0.7
145.02711	0.5
145.04953	2.0
145.06468	8.9
145.10091	2.6
147.04364	3.3
147.08044	1.7
147.11681	2.4
149.05968	0.6
149.09602	2.3
149.13283	0.7
151.07526	1.0
151.11159	0.7
155.06015	0.8
155.08542	0.7
157.06425	1.9
157.10124	1.7
159.08067	2.3
159.11696	0.8
160.05170	4.5
161.05984	1.8
161.09621	0.5
161.13281	0.7
163.11148	1.0
165.09090	2.7
167.06993	8.1
172.05162	0.7
173.05922	10.6
174.06812	0.5
175.07510	19.7
175.11159	0.7
175.14702	0.7
187.07497	8.8
189.09076	2.5
190.06247	4.7
191.14273	0.5
193.08522	0.6
193.12263	1.8
203.06979	0.6
205.08566	12.9
217.08546	8.4
219.10179	0.9
228.83981	0.5
233.09572	0.6
233.13747	0.8
235.09593	5.8
241.08568	0.7
247.09668	2.1
249.07475	16.3
261.09116	1.7
265.10641	5.0
267.08563	9.2
267.15884	1.9
278.09326	0.5
285.07458	0.9
299.14740	0.6
300.09854	1.8
321.11050	0.6
326.11197	0.7
353.13760	3.0
371.14902	4.5
425.24698	0.6
442.58862	0.5
509.27209	0.9
510.27847	0.7
647.92206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
53.53215	0.7
55.05506	1.9
67.05492	4.9
67.06007	0.9
68.61269	0.9
69.03419	1.2
70.21857	0.8
71.60602	0.9
72.99616	0.8
79.05476	2.3
81.03413	5.2
81.07039	6.7
83.04967	1.1
86.95631	1.0
91.05473	2.0
93.07040	3.6
95.08618	3.7
97.02866	1.7
107.08569	1.7
109.02928	1.2
109.10164	1.3
114.37603	1.1
123.10677	1.0
127.03893	1.1
145.10207	1.0
146.75613	0.9
208.17163	1.0
269.06439	1.6
287.07333	20.9
345.29935	0.9
513.26544	24.8
529.38898	3.8
530.38965	1.9
611.30011	6.9
671.32379	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	670.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34141	0.6
54.81387	0.8
55.05494	2.7
57.07043	0.6
61.14539	0.7
62.12495	0.7
67.05476	3.9
69.07029	3.0
79.05455	1.4
81.07037	8.1
83.04971	3.0
83.08580	1.5
85.52583	0.7
91.05459	14.5
92.09103	4.1
93.07042	7.4
95.04933	4.5
95.08577	12.9
97.06481	0.8
97.10245	0.7
105.07012	8.7
107.04947	1.5
107.08578	10.5
109.06479	0.9
109.10136	6.9
116.98670	0.9
119.04914	30.8
119.08571	12.5
121.06456	2.6
121.10136	8.3
123.04405	16.3
123.11679	3.2
125.09631	1.0
131.08516	3.3
133.10112	9.3
135.11667	4.5
137.13235	1.1
139.07533	0.8
143.08545	3.7
143.94934	0.7
145.10141	7.5
147.04388	100.0
147.11656	6.1
148.95517	0.7
149.13248	1.5
157.10107	1.2
159.11673	7.7
161.13202	4.1
163.14828	1.7
165.05432	3.7
171.11583	1.4
173.13225	5.1
175.14772	3.6
175.96996	0.7
177.16412	2.6
187.14787	5.4
189.16411	6.2
191.18001	2.8
199.14728	3.1
201.16353	7.9
203.17905	3.5
205.15799	1.1
213.16310	1.6
215.17920	5.2
217.15817	1.1
217.89413	0.8
219.17329	1.2
247.16866	1.4
261.18298	1.2
325.29184	0.8
389.32059	1.1
395.29449	1.0
407.32864	4.8
435.32422	1.5
437.33777	3.1
443.34839	0.9
453.33533	16.4
516.17297	0.8
635.38965	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45964	1.3
53.00309	1.6
53.92403	1.4
54.81743	1.6
55.01863	1.7
55.05502	11.8
55.58081	1.6
56.46038	1.5
57.03424	1.9
57.07072	2.3
59.93922	1.5
60.49713	1.4
65.03921	1.8
67.05476	14.2
69.03417	2.0
69.07051	10.7
77.92869	2.0
79.05464	16.6
81.07030	31.5
83.08608	6.2
91.05467	25.4
92.09184	2.8
93.07027	27.6
95.04947	26.3
95.08588	61.3
97.06499	8.1
99.08056	2.6
105.07006	34.7
107.04933	69.4
107.08569	54.9
109.06519	9.3
109.10149	27.5
111.08067	3.2
113.06008	3.1
115.98264	1.9
116.98592	2.0
117.06991	3.6
119.04920	32.1
119.08550	66.3
121.06450	9.6
121.10116	42.5
123.04398	94.1
123.08035	6.6
123.11682	8.8
125.09596	3.4
129.06981	2.0
131.08524	20.7
133.10107	41.2
135.08000	2.4
135.11652	14.7
137.09572	3.6
143.08580	8.5
144.09309	1.9
145.10112	40.7
147.04391	100.0
147.11670	24.9
149.09581	8.8
149.13245	10.1
151.11198	2.0
153.09074	2.1
157.10121	7.4
159.11652	27.3
161.09589	3.0
161.13216	17.8
163.11107	2.3
163.14813	11.8
165.05461	17.6
165.09094	2.9
169.10051	2.5
171.11633	8.8
173.13136	17.5
175.14763	17.3
177.09068	2.4
177.12794	2.5
177.16389	3.1
185.13268	8.1
187.14789	44.8
189.12788	2.5
189.16365	31.3
191.14276	3.3
191.17880	4.3
197.13254	3.8
199.14786	9.6
201.16347	27.4
203.14352	3.1
203.17906	12.6
205.15865	2.0
211.14862	3.1
213.16412	9.7
215.14278	2.7
215.17926	15.0
217.15814	3.6
218.20105	1.8
219.17365	2.9
219.47346	2.0
225.16318	2.1
227.17949	2.4
229.19443	3.0
233.18965	2.0
235.16856	7.0
241.19586	2.6
247.16823	10.4
261.18433	2.6
267.21060	2.8
338.38730	2.1
389.31827	2.2
405.31503	16.8
407.32870	10.8
411.28763	7.8
423.32510	22.0
425.33887	2.9
435.32364	3.9
451.31961	11.5
453.33383	7.9
455.35022	3.3
469.33337	12.8
469.38806	1.9
471.34430	13.4
496.72369	1.9
552.12677	1.8
586.92181	1.8
606.33417	3.1
617.38110	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	670.431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.8
57.03429	0.6
57.07050	0.7
65.03925	0.8
67.05494	3.0
69.07051	3.0
70.51804	0.4
76.56205	0.4
79.05483	2.7
81.07043	7.0
83.08591	2.2
85.02850	0.5
91.05463	15.1
92.09125	1.8
93.07017	7.0
95.04929	2.3
95.08585	13.3
95.67045	0.5
97.06535	0.7
97.10140	1.0
105.07014	8.7
107.04945	9.5
107.08577	13.0
109.06493	2.6
109.10135	7.9
111.04475	0.7
111.08094	0.9
113.05991	3.3
115.07544	0.7
119.04926	32.9
119.08562	15.2
121.10116	10.3
123.04425	1.8
123.08047	0.7
123.11684	4.0
125.09581	0.8
129.07001	0.8
131.08545	4.3
133.10104	11.5
135.08067	0.7
135.11684	5.4
137.09587	0.7
137.13205	0.9
139.07487	0.6
143.08583	1.0
145.10117	9.3
147.04391	100.0
147.11656	5.7
149.05980	0.6
149.09613	1.6
149.13243	4.5
157.10091	3.4
159.11703	7.0
161.13243	4.4
163.03883	0.5
163.11142	1.0
163.14793	4.5
165.05460	1.8
165.09096	2.0
169.10043	0.5
171.11688	2.1
173.13214	5.6
175.11205	0.6
175.14801	6.9
177.12906	0.6
177.16389	3.5
179.10611	0.4
183.11659	0.6
185.13234	1.8
187.14784	12.5
189.16353	11.1
191.14304	0.9
191.17903	1.9
199.14784	2.6
201.16336	10.2
203.17955	5.5
205.15868	1.0
211.14813	0.6
213.16321	3.5
215.14288	0.5
215.17877	4.8
217.15810	2.5
219.17352	0.7
221.15395	0.6
225.16234	0.7
227.17880	0.6
229.15828	0.5
229.19484	1.7
231.17390	1.7
233.15279	0.7
235.16901	2.3
241.19530	0.7
243.17400	0.5
247.16826	1.6
261.18338	1.0
275.19992	0.5
295.24005	0.5
309.25690	0.5
311.27225	0.4
357.27820	0.5
365.28284	0.7
389.31961	1.0
405.26721	0.4
405.31335	4.2
407.33035	2.9
411.28799	4.6
423.32520	9.0
425.34061	2.8
433.30740	0.5
435.32526	0.8
451.31952	3.8
453.33597	1.7
469.33102	8.3
471.34171	0.4
605.99854	0.4
606.33826	0.9
617.38104	10.2
635.39240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64005	0.9
55.05504	42.2
57.03425	15.1
57.07066	32.4
61.02912	35.6
63.74847	0.9
64.56685	0.9
67.05487	17.9
68.49257	1.2
69.03418	4.2
69.07053	70.6
71.08616	20.4
73.02895	15.2
75.04467	1.8
79.05477	16.3
81.03387	5.5
81.07030	32.1
83.04958	2.6
83.08599	63.4
85.02885	35.5
85.06506	1.4
85.10177	8.0
87.04482	1.1
91.03928	28.7
91.05444	4.3
93.07021	21.3
95.04955	2.1
95.08594	23.6
97.02867	17.9
97.06512	11.7
97.10143	55.8
99.04374	1.5
105.07009	2.3
107.08567	16.3
109.02859	1.4
109.10131	11.6
111.08062	6.5
111.11691	15.2
117.03307	1.2
119.08568	4.4
121.10107	29.4
123.11674	6.7
125.09602	5.8
125.13217	1.6
127.03902	8.7
129.07027	1.1
131.08508	1.4
133.10129	1.9
135.04413	1.3
135.11662	25.3
137.13226	4.7
139.11143	4.9
145.04926	8.6
145.10114	1.8
147.11682	1.6
149.13266	11.4
153.12675	1.8
163.03905	5.8
163.05977	9.2
163.14761	9.5
164.04225	1.4
167.14288	1.4
177.16298	1.6
181.15834	2.2
219.21025	25.7
237.22070	30.9
255.23100	28.3
267.15982	1.3
281.17365	1.6
306.27850	2.6
311.25732	100.0
329.26797	43.2
407.33237	1.3
423.23145	1.3
473.30826	11.1
626.60358	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76155	0.3
53.03925	0.4
53.33886	0.2
55.05502	2.1
57.03406	0.3
57.07042	0.4
65.03915	1.2
66.68417	0.2
67.05495	3.3
69.07047	3.2
71.00445	0.3
79.05472	2.7
81.07034	7.0
83.04971	0.4
83.08593	1.9
89.40416	0.3
91.05459	13.3
93.07023	8.2
95.04938	1.3
95.08581	16.2
97.06496	0.7
97.10101	0.7
97.30955	0.2
99.04398	0.3
99.05492	0.3
105.07006	9.1
107.04938	7.6
107.08572	13.4
107.09296	0.4
109.06499	2.8
109.10149	7.2
111.04449	0.4
111.08063	1.1
113.05984	1.9
113.06674	0.3
115.07513	0.5
117.06966	1.3
119.04919	31.0
119.08554	13.8
121.02817	0.3
121.06481	0.6
121.10117	11.7
123.04387	1.8
123.08031	1.5
123.11678	3.5
125.09579	0.5
128.06059	0.3
129.06912	0.7
130.07761	0.4
131.08534	5.4
133.10107	10.6
135.08049	0.6
135.11652	5.8
137.09612	0.6
137.13213	0.6
139.03889	1.1
139.07533	0.3
143.08533	2.3
145.10097	10.1
147.04385	100.0
147.11655	5.0
149.09592	2.6
149.13243	3.1
151.11185	0.4
153.09076	1.4
157.10060	3.1
159.11652	7.8
161.09645	0.7
161.13239	3.8
163.03819	0.5
163.07507	0.7
163.11160	0.5
163.14755	2.9
165.05403	2.3
165.09106	1.8
169.10117	0.6
171.11644	2.4
173.13231	5.7
175.11179	0.4
175.14801	4.2
177.09029	0.7
177.16351	2.7
183.11665	0.5
185.13219	1.5
187.14769	10.2
189.12730	0.5
189.16335	8.9
191.14293	0.4
191.17905	2.2
197.13251	0.5
199.14784	3.2
199.85701	0.3
201.12859	0.4
201.16351	6.9
203.14273	1.6
203.17915	3.3
205.15837	1.1
207.17256	0.3
211.14728	0.7
213.16370	2.0
215.14439	0.4
215.17915	5.4
217.15787	2.3
219.17409	0.5
221.15414	0.6
225.16374	0.6
227.17915	0.6
229.15868	0.7
229.19492	1.3
231.17435	0.7
233.15370	0.7
235.16843	2.1
239.17882	1.1
241.19528	0.7
243.20935	0.4
247.16818	3.3
249.18407	0.6
253.19504	0.4
255.21075	0.5
257.19257	0.3
261.18576	2.0
275.20016	0.3
283.24109	0.4
291.21100	0.4
295.24011	0.4
309.25638	1.1
311.27176	0.4
355.26245	0.5
357.27878	0.6
389.32370	0.5
405.31470	3.5
407.32968	3.1
411.28769	3.8
423.32480	9.2
425.34058	2.5
433.30908	1.2
435.32581	1.2
437.33960	1.5
451.32074	3.8
453.33765	2.3
455.34048	0.4
469.33084	7.5
471.34198	0.6
617.38245	9.8
635.39246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42648	0.9
51.28952	0.8
51.99972	1.0
53.03913	1.7
55.01854	2.4
55.05500	13.0
57.03435	8.8
57.07048	2.2
59.05000	1.0
61.02891	2.0
64.60391	1.1
64.76909	1.0
67.05489	30.4
69.03417	10.0
69.07054	14.6
71.04959	1.6
73.02854	1.3
79.05471	10.2
81.03398	21.0
81.07039	38.0
83.04961	1.2
83.08599	9.3
85.02898	20.6
85.06513	2.1
91.05454	15.4
92.09024	1.7
93.07018	29.8
95.04967	12.8
95.08592	54.1
97.02879	10.6
97.06498	5.3
97.10133	2.8
99.08057	1.4
105.03368	13.4
105.07011	40.8
107.04948	1.8
107.08579	53.3
109.02888	2.6
109.06476	7.4
109.10134	45.0
111.08057	5.6
117.06970	1.9
119.04878	1.2
119.08557	54.1
121.06474	4.7
121.10121	37.3
123.08053	4.9
123.11703	9.9
125.09590	5.9
127.03903	2.7
129.07019	1.8
131.08551	22.8
133.09181	2.4
133.10115	44.3
135.08057	2.9
135.11661	16.4
137.05922	1.8
137.09619	3.0
137.13190	2.2
143.08533	7.3
145.04933	1.9
145.10100	32.1
147.04407	4.8
147.08009	2.0
147.11662	34.9
149.09618	5.9
149.13257	23.1
149.19737	1.2
151.11179	2.0
153.09079	2.5
157.10117	12.5
159.11664	20.7
160.77237	1.3
161.09557	2.5
161.13235	27.6
163.11172	6.0
163.14796	31.0
165.09097	1.4
165.12767	1.2
167.07048	1.2
167.10626	2.8
169.10207	1.9
170.10890	2.2
171.11681	9.9
173.11722	4.7
173.13179	31.1
174.13510	1.3
175.11195	4.9
175.14798	26.9
177.12813	1.9
177.16379	19.3
180.08649	1.7
185.13235	7.4
187.14807	36.7
189.12697	2.9
189.16356	26.6
191.14287	42.0
191.17903	6.7
193.12201	5.7
193.15822	1.8
197.13222	1.7
199.14761	6.4
201.16385	16.4
203.14366	12.2
203.17923	100.0
204.18216	2.0
205.15813	14.0
205.19498	2.7
211.14795	1.7
213.16342	5.8
215.17911	6.2
217.15816	5.2
217.19498	2.3
221.15343	20.4
223.16910	5.2
227.17928	1.5
229.14206	11.8
231.21109	2.6
235.16801	1.6
239.17992	1.8
247.16905	2.4
249.18462	13.5
261.18353	2.0
267.15906	10.7
377.31750	1.4
389.31912	6.4
395.33127	2.5
407.33078	18.3
421.25900	14.8
423.32501	2.4
425.34085	75.9
426.34204	1.5
435.32373	8.1
443.35092	1.6
453.27780	1.5
453.33643	29.2
471.34537	14.3
587.28857	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
64.31376	0.6
67.05480	1.7
69.07055	1.6
79.05453	1.3
81.03423	1.1
81.07034	4.9
82.06564	0.6
91.05454	13.1
92.08711	1.9
92.09278	1.6
93.07001	4.6
95.08567	4.6
95.53690	0.6
97.02901	1.3
97.06523	1.0
98.74983	0.8
101.80351	0.7
105.07040	6.7
107.08575	3.4
109.10098	2.9
117.03397	1.1
119.04916	36.7
119.08556	5.4
121.10090	2.9
123.11659	0.9
131.08521	3.5
133.10094	3.6
135.04378	2.7
135.11629	0.9
137.09697	0.7
143.08481	0.8
145.02802	1.4
145.10123	4.9
147.04387	100.0
147.11681	3.3
149.13219	1.1
157.10132	1.2
159.11644	2.4
161.09560	1.1
161.13246	1.3
163.03859	12.2
169.10104	0.8
173.13264	1.7
175.14766	3.3
177.16270	1.2
187.14832	4.3
189.16299	3.6
191.17961	0.8
201.16281	2.6
203.17903	2.6
213.16025	0.9
215.17920	0.8
229.19344	0.8
236.16432	1.6
267.16016	1.0
304.26224	4.2
393.31161	0.7
405.31226	3.3
407.32883	0.8
423.32382	4.3
433.30453	1.1
441.33664	1.2
451.31824	3.9
469.33109	1.4
615.35938	1.1
633.37378	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	668.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.05491	0.8
61.68079	0.3
65.03912	0.6
67.05477	2.4
69.07034	1.6
79.05460	1.9
81.07034	3.8
85.09551	0.4
89.03888	0.9
91.05457	14.2
93.07014	3.6
95.04962	0.5
95.08579	5.3
97.10114	0.5
105.07007	4.5
107.04961	0.7
107.08561	4.8
109.10148	3.0
117.03370	1.6
119.04914	35.6
119.08556	7.2
121.10085	3.4
123.08035	0.6
123.11666	0.6
129.06967	0.4
131.08524	2.9
133.06380	0.4
133.10094	3.6
135.04404	4.9
135.08006	0.5
135.11673	2.0
143.08531	0.9
144.09320	0.4
145.02817	3.0
145.10117	4.2
147.04384	100.0
147.11650	2.4
149.09586	0.7
149.13185	0.6
155.08444	0.4
156.09338	0.4
157.10098	2.0
159.11635	3.3
161.13243	1.6
163.03860	15.7
163.14792	1.6
171.11670	1.6
173.13213	3.0
175.14757	2.3
177.16336	0.8
184.92754	0.5
185.13193	0.9
187.14751	3.5
189.12845	0.6
189.16362	3.3
191.17905	0.6
197.13228	0.7
197.72205	0.5
199.14757	2.3
201.16397	2.1
203.14233	0.7
203.17941	0.9
213.16235	0.6
215.14531	0.5
215.17879	1.8
217.15744	0.8
229.15686	0.6
231.99423	0.4
235.17027	0.4
236.16357	1.0
241.19574	0.5
247.16748	0.7
250.26796	0.5
257.32440	0.5
313.61389	0.4
387.30484	0.7
405.31299	2.0
407.33258	0.8
423.32364	2.6
425.33862	0.6
426.08029	0.4
433.30997	0.5
441.33237	0.8
451.32001	1.5
469.32971	1.6
488.75339	0.5
499.47455	0.5
569.36230	0.5
587.36658	0.5
593.46075	0.5
605.37830	0.5
613.94263	0.4
615.36798	1.6
633.37872	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39974	1.1
53.03939	2.1
55.01876	1.9
55.05502	15.6
57.03418	7.7
57.07057	2.2
59.05001	1.5
61.02908	1.6
67.05492	33.7
69.03422	8.6
69.07059	12.2
79.05479	13.4
79.47178	1.6
81.03397	18.5
81.07035	31.2
83.04964	6.4
83.08582	6.6
85.02892	20.5
91.05450	17.4
92.08765	6.4
92.63982	1.4
93.07030	25.9
95.04938	9.8
95.08580	60.3
97.02869	6.7
97.06511	5.8
97.10175	2.4
105.03380	9.1
105.07013	46.8
107.08577	55.4
109.02824	1.8
109.06507	2.0
109.10142	52.3
111.08022	2.1
117.06998	3.6
119.08557	60.7
121.10119	33.8
123.08027	2.9
123.11655	6.1
125.09591	2.9
127.03822	2.1
129.06985	2.6
131.08557	32.1
133.10114	43.5
135.08006	3.2
135.11673	14.7
137.05963	2.3
137.09583	3.9
140.11072	1.7
143.08566	7.5
145.04930	1.8
145.10106	31.1
147.07970	2.1
147.11665	32.5
149.13268	11.7
153.09088	2.1
157.10112	11.0
158.10875	2.0
159.11667	22.5
161.09605	3.0
161.13197	22.3
163.14806	22.6
169.10136	1.8
170.10832	1.9
171.11647	7.0
173.11807	5.2
173.13200	48.9
175.11195	3.6
175.14771	20.9
177.09186	1.6
177.12750	2.1
177.16357	13.9
179.10437	1.7
180.08652	2.1
185.13269	14.6
187.14772	30.9
189.16341	15.0
191.14268	100.0
191.17903	4.0
193.12202	3.7
193.15877	2.7
199.14818	9.7
201.16341	11.2
202.56656	2.0
203.14328	16.3
203.17924	52.7
205.15837	16.1
205.19507	3.9
213.16371	6.4
215.17877	1.9
217.15868	3.2
217.19397	2.6
221.15332	40.4
223.16869	1.9
225.16360	2.1
227.17953	1.8
229.14268	18.1
235.16779	2.1
249.18425	17.8
267.15839	15.8
293.22534	1.8
303.39337	1.9
311.23419	3.3
377.32071	2.0
389.32065	3.5
393.28000	1.8
395.32880	2.0
407.33090	14.0
421.26007	18.4
425.34036	45.9
435.32272	7.4
453.33621	32.4
471.34570	8.0
580.74207	1.7
620.06122	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89798	0.5
53.03929	2.1
55.01854	1.0
55.05505	5.8
57.03428	1.2
57.07074	0.7
57.78670	0.5
59.04982	1.2
61.02905	0.5
65.03925	0.6
67.05494	9.3
69.03415	5.7
69.07050	7.8
71.04971	3.6
75.38351	0.5
79.05468	11.7
81.03410	6.0
81.07038	19.5
83.04964	3.2
83.08604	5.8
85.02888	7.3
85.06534	5.3
87.04443	0.7
91.05457	8.5
92.08637	1.0
92.09223	2.0
93.07026	22.8
93.07625	1.0
95.04938	4.7
95.08584	22.7
97.02882	4.4
97.06514	1.3
97.10133	2.1
99.04443	0.7
105.03374	33.2
105.07010	25.2
107.04939	0.7
107.08572	30.6
109.02853	3.6
109.06503	8.2
109.10136	30.3
111.08034	4.2
111.11703	1.1
113.09649	0.9
117.06997	5.3
119.08562	33.3
121.06443	2.7
121.10122	37.0
123.04404	3.1
123.08063	5.4
123.11677	6.1
125.09589	1.0
127.03897	2.2
128.06160	0.6
129.06946	4.0
130.07823	0.7
131.08536	19.2
133.06404	1.2
133.10101	31.0
135.08020	3.5
135.11674	16.0
137.05949	2.5
137.09610	3.8
137.13223	2.3
139.07555	1.0
139.11136	2.2
142.07767	3.1
143.08531	15.6
144.09299	0.9
145.06499	0.9
145.10100	34.6
147.04378	1.4
147.08009	3.9
147.11676	22.6
149.09602	4.1
149.13213	5.7
151.07445	0.8
151.11217	2.7
153.09097	1.3
155.08522	4.9
156.09335	4.1
157.08824	1.0
157.10106	28.6
158.10811	0.7
159.08022	1.1
159.10342	0.9
159.11656	24.6
161.09541	4.6
161.13229	22.1
163.07501	2.5
163.11180	7.9
163.14780	5.8
165.09073	2.9
165.12703	3.9
167.08496	2.0
167.10617	1.4
169.10085	8.7
170.10812	5.0
171.10284	1.1
171.11662	21.7
172.12404	0.7
173.09621	2.3
173.13216	25.0
175.11148	3.0
175.14751	11.7
177.05473	0.7
177.09065	4.8
177.12697	5.2
177.16331	2.8
179.10646	2.2
179.14310	4.1
181.10092	4.8
181.12172	2.4
182.10887	0.9
183.11652	12.6
184.12251	0.7
185.09657	2.6
185.13217	37.1
187.11157	2.2
187.14792	28.6
189.09096	0.7
189.12744	6.7
189.16336	11.0
191.10732	2.2
191.14243	3.4
193.10201	0.6
193.12148	1.2
194.10918	1.0
195.11665	5.2
195.13766	2.9
197.09550	0.7
197.13235	10.0
199.11174	2.2
199.14783	19.6
201.12726	3.3
201.16389	6.8
201.26611	0.5
203.10735	0.9
203.14287	14.8
203.17819	0.6
205.12164	5.3
205.15851	5.7
207.11861	1.3
207.13776	4.5
209.13263	6.8
210.14075	0.7
211.11150	1.1
211.14789	6.7
213.12788	2.5
213.16310	6.8
215.14267	5.7
215.18027	1.2
217.12225	1.4
217.15843	8.1
219.11879	0.7
219.13806	3.6
219.17429	0.9
221.13199	2.8
221.15388	4.2
223.14815	9.6
225.12747	0.7
225.16319	5.6
227.14288	2.4
227.17944	5.4
229.12250	0.7
229.15852	3.9
231.13803	2.2
231.17352	6.8
233.13199	0.7
233.15282	2.7
233.18971	0.6
235.14778	3.2
237.16365	6.5
239.14241	0.7
239.17891	3.3
241.15857	1.1
243.13675	0.8
243.17365	2.3
245.15413	1.2
245.19113	0.9
247.14664	0.8
247.16861	2.4
249.07545	4.0
249.16345	1.1
251.17885	2.4
253.15776	1.1
255.17389	3.5
257.15305	0.7
257.19006	2.1
259.16855	2.5
261.18570	0.7
263.17917	2.7
265.15625	2.0
267.08621	5.5
269.19022	1.0
271.16840	3.0
271.20319	0.9
273.18552	0.9
277.17871	2.9
279.21124	0.9
281.18900	3.1
283.16910	6.8
283.20248	1.9
285.18430	0.9
289.19403	0.7
299.20020	4.7
301.18097	1.8
321.25644	2.3
331.24109	0.6
333.25543	2.1
335.23553	1.1
339.26721	3.0
343.18939	0.9
347.27487	0.7
349.25165	2.5
351.26636	2.8
357.25800	1.0
361.20035	3.3
363.26880	4.1
367.26352	6.4
369.27817	2.4
375.26785	10.6
381.27887	6.1
393.27789	36.8
399.28751	3.6
409.27396	4.4
411.28833	60.2
421.27200	1.3
427.28210	4.9
429.29910	13.6
435.28809	0.7
439.28192	5.6
441.29889	2.8
444.40579	0.7
453.29660	11.4
471.30960	100.0
472.31049	2.2
489.31979	16.3
668.32495	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	668.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99918	5.0
55.05507	26.9
61.05841	4.7
67.05489	27.7
69.03416	9.6
69.07036	23.0
79.05482	36.7
81.03427	8.7
81.07044	72.2
83.04974	13.8
85.02889	8.5
85.06557	9.9
91.05474	33.8
92.08880	12.4
93.07021	70.9
93.39114	6.6
95.04961	35.5
95.08567	70.5
97.02901	11.3
97.06519	7.5
105.03378	49.6
105.07014	85.7
105.20464	6.0
107.08583	80.2
109.06532	32.4
109.10161	45.4
113.09621	10.2
117.06995	10.0
119.08543	92.2
121.10106	84.4
123.08033	12.4
123.11674	14.3
129.07028	12.0
131.08568	52.1
133.10110	69.7
135.08052	26.9
135.11690	32.3
135.18205	5.9
137.09598	8.1
138.18349	7.3
143.08548	43.2
144.09436	7.6
145.10110	100.0
147.04443	28.7
147.11662	62.2
149.09625	11.8
149.13289	27.9
155.08513	11.2
157.10130	47.8
159.11678	59.4
161.09673	6.8
161.13275	47.9
161.14632	5.8
163.07556	7.1
163.11153	23.6
163.14833	11.6
170.10902	6.4
171.11700	28.0
173.13223	77.7
175.11089	11.5
175.14828	42.7
177.16344	7.1
183.11717	8.8
185.13234	63.5
187.14767	80.3
189.16359	14.1
197.13252	14.6
199.14865	32.5
201.16438	36.7
203.14317	10.2
205.12222	26.7
205.15846	26.1
209.13281	9.1
217.15904	9.5
219.13733	10.0
219.17361	8.3
223.14830	10.0
249.07399	7.6
363.26675	14.3
375.26794	11.6
381.27835	28.4
393.27664	49.3
399.29202	11.2
411.28958	73.1
429.30042	64.1
441.29840	54.0
443.34912	10.6
453.29941	9.9
457.29587	8.7
459.30948	27.9
471.30951	80.8
489.31955	45.8
668.32532	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	668.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.05507	4.1
57.03427	14.7
57.07050	0.5
58.17775	0.3
61.02909	2.9
67.05499	4.4
69.03413	5.2
69.07050	6.2
69.51818	0.4
69.77624	0.4
71.04964	1.5
73.02882	0.5
76.56131	0.4
76.82613	0.3
79.05462	2.7
81.03400	4.6
81.07037	5.9
83.01331	0.5
83.04956	0.6
83.08592	2.6
84.46199	0.4
85.02888	6.1
87.04460	0.4
87.79269	0.4
91.05453	2.2
93.07003	2.1
95.04940	0.5
95.08578	6.2
97.02864	9.9
97.06509	6.6
97.10151	2.4
99.04404	2.6
101.08105	0.4
105.03349	0.8
105.07005	2.6
107.08580	2.9
109.02846	2.6
109.06509	0.4
109.10120	2.9
111.08076	0.7
117.05465	11.2
119.08555	2.7
121.10098	1.8
123.11689	0.9
127.03864	2.7
131.08577	0.9
133.10083	2.7
135.11673	0.8
137.13202	0.5
143.67921	0.4
145.04910	2.8
145.10063	0.6
147.04353	0.7
147.11659	2.0
151.11119	0.5
151.14784	0.5
159.06491	100.0
161.13257	0.5
163.03867	0.8
189.59073	0.4
199.07564	0.5
205.07053	1.6
217.19386	0.9
235.20491	1.8
253.21532	2.7
259.09668	0.6
261.97321	0.5
271.22565	3.3
287.17352	0.6
337.14102	0.4
355.15430	2.1
369.26236	2.7
387.27277	0.8
447.29788	0.5
541.44006	0.5
630.06183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
54.96139	0.4
55.01860	0.6
55.05501	3.9
57.03430	16.1
57.07077	0.5
57.80615	0.4
59.28231	0.4
59.62622	0.4
61.02901	3.5
67.05489	4.4
68.00648	0.4
69.03414	10.4
69.07053	8.4
69.38077	0.5
70.99027	0.5
73.02899	0.7
79.05466	2.6
81.03400	10.2
81.07035	9.1
82.71884	0.4
83.04961	1.1
83.08588	3.5
85.02891	9.1
85.06509	0.5
91.05459	4.3
92.08964	2.9
93.07015	4.6
93.78500	0.5
95.04916	2.1
95.08591	9.3
97.02264	0.7
97.02871	14.2
97.06509	6.4
97.10133	3.8
99.04420	3.0
99.08073	0.6
105.03377	2.1
105.07011	4.3
107.08589	2.7
108.09350	0.5
109.02859	7.4
109.06437	0.5
109.10138	4.4
109.10757	0.4
110.25836	0.5
111.11699	0.9
117.05470	20.2
117.06857	0.5
118.64040	0.4
119.04882	2.8
119.08546	4.3
121.10128	3.7
123.04433	0.7
123.11676	2.7
127.03875	7.9
131.08501	0.8
133.10121	2.7
134.77019	0.4
135.11656	2.3
143.08598	0.6
145.10104	3.1
147.04398	11.0
147.11708	1.2
148.04700	1.1
153.63333	0.5
159.06499	100.0
159.11626	1.0
160.06755	0.6
161.13252	1.0
163.03839	0.5
171.11913	0.5
175.14803	0.8
185.13141	0.5
187.05972	2.8
215.17935	0.5
217.19524	2.2
235.20509	1.1
241.08527	0.6
253.21561	2.1
271.22620	3.0
327.16074	0.7
355.15320	2.2
369.26187	6.5
387.27466	4.6
447.29047	0.9
589.52960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41844	1.0
54.81904	1.0
55.05500	1.5
55.80216	1.0
56.19613	1.0
58.89334	0.9
64.63638	0.9
67.05486	4.7
67.42325	1.0
74.34189	1.0
75.18285	1.2
79.05465	2.3
81.07041	5.4
83.08566	1.4
91.05459	1.1
92.08703	1.3
92.09195	2.4
93.07022	2.7
95.08585	4.8
105.07037	1.8
109.10181	1.4
119.08511	1.2
135.11662	1.0
145.69589	1.1
189.29842	1.3
263.66925	1.2
333.20343	7.8
389.23013	4.0
488.99115	1.1
552.75031	1.4
667.45319	100.0
668.45276	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.2
53.00290	0.1
53.03939	2.9
53.72100	0.1
54.81908	0.1
55.01857	0.6
55.05489	0.1
57.03428	1.0
61.02905	0.4
67.05471	0.2
68.02622	0.1
69.03410	6.3
69.07050	0.1
71.04982	0.8
73.02894	0.2
74.13497	0.1
76.56502	0.1
77.03909	0.5
79.05468	4.8
81.03396	14.0
81.07026	0.2
83.01286	0.1
83.04959	0.2
83.08614	0.1
85.02884	7.8
85.06542	0.8
91.05423	0.1
92.08757	0.5
93.07008	0.4
95.04945	5.4
95.08574	0.2
97.02863	8.9
97.68011	0.1
99.04424	2.2
102.87119	0.1
104.16556	0.1
105.03367	100.0
106.03707	0.5
107.08560	0.4
108.04475	0.1
109.02858	8.7
109.10161	0.2
119.08539	0.4
119.69515	0.1
121.02839	6.5
123.04397	10.5
127.03886	6.9
133.10127	0.1
139.03873	3.2
145.04942	1.5
145.10095	0.1
205.08620	0.1
212.83403	0.1
221.00917	0.1
231.06471	1.3
242.04521	0.1
249.07513	21.6
250.07939	0.2
267.08563	21.1
268.08771	0.2
421.25586	0.2
514.56683	0.1
551.10394	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	667.3294
Annotation	Strychnogucine B
Peak:m/z	Relative Intensity
51.69321	0.3
53.03938	0.5
55.05502	2.8
57.03421	2.5
61.02921	5.0
61.12983	0.4
65.43472	0.3
67.05481	5.6
69.03421	2.9
69.07053	2.4
71.01353	0.6
71.04963	0.7
73.02898	2.6
79.05468	5.2
81.03387	4.2
81.07040	5.4
83.04974	1.9
83.08624	0.9
85.02887	6.8
85.06545	0.4
91.03941	2.7
91.05462	4.6
92.08772	2.7
93.07009	6.9
95.04935	3.1
95.08584	2.8
97.02876	4.0
97.06514	2.2
97.10145	0.7
99.04426	0.6
101.02364	1.6
105.03361	3.1
105.07010	3.5
107.04954	0.5
107.08569	5.8
109.02886	2.2
109.10165	2.5
111.08077	0.6
117.06989	0.6
119.08546	3.2
121.10155	2.1
123.04478	0.5
127.03921	1.8
129.07025	0.6
131.08563	1.6
133.10147	2.5
135.08023	0.7
135.11673	7.7
137.09659	0.4
143.08533	0.6
145.10141	2.7
146.10413	0.5
147.04468	1.5
147.11702	1.5
157.10126	1.6
159.11705	0.6
163.11263	0.9
163.14886	0.4
173.13129	0.6
175.11191	0.8
181.12201	1.6
187.14871	0.6
193.10394	0.4
193.12245	0.7
221.11423	0.5
243.08424	3.3
249.07587	0.4
251.12560	1.8
255.15984	0.6
267.08649	0.8
277.14130	0.6
339.65701	0.4
439.19336	14.1
469.20370	7.2
505.27536	0.6
592.38354	0.5
600.80511	0.5
667.32819	100.0
668.32977	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	667.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04170	3.5
56.84872	3.1
67.05465	5.9
80.10064	3.3
83.63380	3.5
83.85548	3.7
215.31406	4.1
219.12814	4.0
274.18042	5.4
299.15118	3.5
341.23502	3.8
391.19183	7.9
392.19772	7.1
405.20953	4.9
407.22089	16.5
415.32846	4.2
419.18149	5.1
434.20648	5.3
435.21329	15.9
451.21292	7.1
459.18286	4.6
467.26755	4.6
479.20697	46.4
493.22067	8.2
494.22644	5.9
505.18701	14.2
517.22186	81.4
549.24896	73.2
575.22174	5.1
586.75897	4.3
593.23627	16.2
607.25104	7.4
608.26038	20.7
635.24951	100.0
667.27118	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	667.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.0
60.04328	0.8
67.05514	1.4
73.20964	0.8
75.56701	0.8
79.05487	1.3
81.07027	2.1
92.08842	4.7
94.12022	1.0
95.08598	1.3
106.57986	0.9
117.40505	1.0
125.11884	0.9
128.26398	1.1
176.26843	1.2
189.41478	1.0
354.62006	1.1
375.15939	1.1
377.17633	1.5
407.22455	2.0
407.74850	1.2
414.93323	1.1
417.16953	1.6
418.17834	2.0
419.18204	6.8
420.19208	1.2
433.20163	22.9
434.20911	9.5
435.21927	1.8
447.22342	1.3
461.19464	1.8
491.20782	1.4
493.22363	4.7
505.22583	1.1
507.20401	1.0
520.21228	2.1
521.25433	4.9
547.23376	2.2
579.25659	2.0
589.24677	1.6
607.25372	21.2
608.25934	1.4
649.26361	4.8
667.27478	100.0
668.27313	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
55.05508	4.3
57.03437	0.4
61.02925	0.4
67.05492	3.8
67.98260	0.3
69.03423	2.4
69.06708	0.7
69.07055	10.2
69.07405	0.6
79.05493	2.3
81.03391	2.3
81.07038	5.4
83.04963	0.6
83.08605	2.5
84.21341	0.4
85.02917	3.2
85.06537	1.6
87.23212	0.4
91.05453	3.6
92.08764	1.7
93.07017	5.2
94.07334	0.5
95.04958	1.8
95.08586	8.1
97.02853	0.5
97.06522	0.7
105.03388	2.4
105.07009	10.7
107.08566	5.1
109.02940	0.5
109.06503	0.8
109.10156	8.0
111.08086	0.5
112.83511	0.4
117.07013	0.8
119.04935	0.7
119.08562	37.8
121.10119	4.1
123.04417	0.4
123.08070	0.6
123.11668	0.8
125.09635	0.7
127.03926	0.9
131.08578	2.5
133.01295	0.4
133.06575	0.4
133.10106	31.9
135.08051	0.7
135.11644	3.6
137.06041	0.4
137.09627	1.7
140.61731	0.4
145.10143	3.0
147.04416	2.4
147.11662	7.1
149.09666	0.4
149.13211	0.5
151.22609	0.4
157.10118	0.8
159.11684	0.5
160.12453	0.8
165.09126	0.6
167.07056	0.4
173.13258	0.9
175.14790	76.0
193.15865	6.8
203.06787	0.4
205.04781	1.5
215.94176	0.4
224.76237	0.4
315.13885	0.4
320.34720	0.4
407.50983	0.4
425.12064	4.8
439.13760	0.4
440.14444	9.5
610.44525	0.5
667.23480	100.0
668.23871	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	666.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42202	4.8
52.07496	5.1
53.03947	58.7
55.05482	26.7
56.84164	5.1
57.07054	6.8
57.67009	5.3
61.02890	6.0
61.10043	5.1
61.14985	4.5
66.22441	5.0
67.05484	41.2
69.03406	23.9
69.07052	47.9
71.04962	7.4
73.02863	10.9
73.51956	4.1
79.05459	24.3
81.03394	65.5
81.07021	53.1
83.04957	9.2
83.08598	34.1
84.90231	5.4
85.02885	22.9
91.05463	22.9
93.07021	30.4
95.04961	8.4
95.08582	70.8
97.02898	45.6
97.06440	7.1
97.10143	13.0
99.04443	10.7
105.03363	36.1
105.06999	36.9
106.31133	6.0
107.08562	31.6
109.02855	100.0
109.10158	39.8
115.03914	8.6
115.14723	6.0
119.08545	24.7
121.10129	25.9
123.11665	7.8
127.03897	82.7
133.04964	9.4
133.10100	30.1
135.11658	13.4
145.10179	10.5
147.04411	6.5
147.11681	12.4
155.86861	5.9
165.12694	6.0
177.05475	6.2
179.14331	6.8
187.05974	26.3
203.17889	8.3
217.19466	30.1
235.20486	23.4
247.08017	27.3
253.21587	24.0
271.22559	30.0
308.17300	6.3
385.25647	11.7
493.35886	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	666.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.5
57.07067	1.9
58.09351	1.2
64.33884	1.2
64.41029	1.1
67.05481	2.7
71.08591	2.1
73.82857	1.2
81.07018	7.2
83.08622	1.7
91.05475	14.6
93.07022	6.2
95.08586	9.9
105.06990	5.9
105.13918	1.3
107.08588	2.9
109.10116	2.5
119.04929	35.0
119.08563	8.9
121.10101	3.2
129.58905	1.3
131.08588	1.7
133.10115	2.2
145.10121	2.8
147.04390	100.0
147.11714	2.8
149.13205	1.9
159.11714	2.6
161.13202	2.3
177.16319	2.5
189.16335	2.8
203.17972	3.1
223.34367	1.4
229.08257	1.4
348.47232	1.6
407.32990	6.6
437.74399	1.4
525.41260	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	666.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.5
53.03939	23.2
55.01859	2.2
55.05503	1.1
57.03428	13.8
59.91727	0.5
61.02900	3.8
67.01850	4.0
67.05504	0.7
69.03408	10.2
69.07064	0.7
71.04956	3.6
75.13669	0.4
81.03397	35.1
83.07458	0.5
83.08594	0.7
85.02895	8.9
90.95774	0.6
91.05421	0.9
92.08861	3.1
93.07017	0.8
95.46264	0.6
97.02253	1.2
97.02867	23.5
99.04436	10.5
103.03925	0.5
105.06989	0.7
107.08565	0.7
109.02861	48.0
115.03878	0.7
117.05470	14.0
119.08549	1.0
127.03891	34.8
133.10081	0.8
145.04939	0.8
147.11592	0.6
155.77602	0.5
159.06497	100.0
169.04912	2.7
169.91371	0.6
183.29829	0.8
187.05960	12.8
201.03436	0.6
229.07085	2.9
231.83430	0.6
247.08112	8.0
298.90863	0.6
324.53275	0.6
325.23602	0.7
343.24734	0.9
450.59988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63638	0.3
53.03743	0.4
53.03936	5.1
55.01860	0.4
55.03545	0.4
55.05494	2.9
57.03430	0.8
67.05498	7.8
68.60115	0.4
69.03410	6.9
69.07047	2.7
71.04970	0.8
79.05475	11.8
80.21790	0.5
81.03392	14.5
81.07034	9.3
85.02885	7.6
87.19952	0.5
91.05460	8.6
92.08877	0.5
93.07020	9.5
95.04944	7.4
95.08578	9.9
95.90315	0.5
97.02872	8.3
99.04421	2.6
105.03370	100.0
105.07011	13.3
107.08566	8.3
109.02863	8.3
109.06512	0.6
109.10123	5.4
117.05476	0.5
117.06996	0.7
119.04939	2.2
119.08549	7.7
121.10078	3.3
123.04392	9.7
123.11687	0.6
127.03873	6.5
131.08551	1.0
133.10083	5.1
135.11679	1.8
143.08517	0.6
145.04948	1.9
145.10065	0.6
147.04382	4.6
147.11685	5.7
157.10052	0.5
159.11662	0.8
161.13214	1.7
203.18027	3.6
231.06461	0.8
248.98874	0.5
249.07515	18.8
267.08569	19.4
469.32767	0.7
652.18542	0.5
654.79449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.5
55.05503	0.4
56.59476	0.4
57.03419	2.9
60.04513	0.4
61.02911	5.0
65.19150	0.4
65.32494	0.4
69.03114	0.5
69.03419	6.7
69.05564	0.4
69.07043	3.9
70.06561	1.7
71.04975	0.9
73.02885	0.8
76.57073	0.4
81.03382	2.9
83.06094	0.5
85.02887	38.8
87.04471	0.5
87.07614	0.6
87.08088	7.9
89.03897	2.5
91.03928	3.1
92.08990	3.5
94.19376	0.4
95.04934	0.5
97.02872	10.4
99.04425	0.9
105.09120	0.7
107.04942	1.7
107.76750	0.5
109.02844	3.4
109.10147	0.6
110.07143	4.6
111.04414	0.6
111.60753	0.4
112.79859	0.4
115.07542	0.7
117.03370	3.7
117.85431	0.5
127.03878	10.2
127.94118	0.4
133.08580	3.3
135.04384	12.1
136.07599	0.6
145.02829	9.5
145.04924	16.6
157.07590	0.5
163.03870	100.0
163.05820	5.9
164.04190	0.9
188.07010	0.5
204.62723	0.5
295.13867	7.9
305.32278	0.5
312.16382	2.2
355.10153	9.0
403.12851	0.5
634.98505	0.5
663.48065	0.5
666.28717	0.9
666.78662	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
53.04147	0.6
54.81695	0.7
55.01858	1.1
55.05490	3.1
57.03422	0.7
62.37153	0.5
62.38319	0.6
66.38002	0.5
67.05492	5.5
69.03416	6.6
69.07043	1.4
71.04974	1.1
73.02888	1.0
79.05478	9.8
81.03398	13.4
81.07037	11.1
85.02905	6.4
91.05460	8.9
92.08762	2.4
93.07010	7.6
95.04945	6.4
95.08585	9.1
97.02875	9.3
97.06496	0.6
98.09078	0.5
99.04466	2.2
105.03374	100.0
105.07008	12.1
107.08579	8.3
109.02877	8.2
109.10148	7.2
119.04880	4.7
119.08574	8.5
121.02829	0.8
121.10104	3.1
123.04408	11.3
123.11714	1.1
123.59241	0.6
127.03896	4.8
131.08502	0.7
133.10130	5.0
135.11668	1.3
145.04974	1.2
145.10101	3.3
147.04382	10.4
147.11665	6.6
148.04730	1.2
157.10126	0.6
161.13194	1.1
171.11681	0.8
202.22321	0.6
203.18013	4.2
211.93852	0.6
223.91220	0.6
231.06415	1.0
245.80606	0.6
249.07539	17.3
267.08600	21.5
308.41818	0.7
328.01489	0.6
357.24622	0.7
382.58514	0.8
469.32877	0.9
603.68341	0.7
638.31781	0.7
665.34851	1.0
666.35852	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	36.5
57.03420	10.7
57.07071	8.3
67.05493	100.0
69.07056	34.8
69.50338	5.6
79.05486	44.5
81.07040	84.2
83.04961	8.0
83.08611	6.3
91.05473	44.4
93.07014	59.7
95.04948	7.4
95.08571	55.9
97.06525	8.2
99.72795	4.3
105.07011	24.9
107.04973	5.1
107.08602	26.7
109.10133	23.3
117.06995	9.6
119.08563	20.3
121.10094	9.4
131.08540	9.8
132.16475	4.7
133.10124	10.8
141.11195	5.2
145.10101	8.8
147.11700	6.6
149.13298	6.0
151.15022	4.1
188.09657	4.7
267.15814	5.6
269.17096	5.5
337.27335	40.3
349.23547	9.1
355.27563	5.4
359.36539	4.9
402.50330	7.0
531.40179	31.6
571.42847	5.7
611.46387	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	665.337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96362	0.4
53.03939	6.0
55.01863	0.9
55.05494	2.1
57.03182	0.6
57.03430	12.6
57.07058	0.5
60.26970	0.4
61.02913	3.8
63.18462	0.5
67.01844	1.9
67.05488	3.9
69.03421	4.5
69.07043	2.8
71.04974	1.9
79.05460	3.0
81.03400	14.8
81.07031	6.7
83.08591	2.6
85.02883	3.7
91.05473	3.6
92.08826	3.3
92.83964	0.5
93.07014	3.1
95.04990	0.7
95.08594	5.6
97.02876	7.8
97.06535	0.6
97.10148	0.9
99.04446	5.0
103.03941	0.8
105.03394	0.4
105.06982	2.6
107.08566	2.4
109.02863	17.8
109.10134	3.6
117.05460	10.4
119.08532	2.8
121.10083	2.2
123.11670	0.9
127.03892	16.4
133.10107	2.6
137.09578	0.5
147.04396	0.9
147.11649	1.8
151.44722	0.5
159.06497	100.0
160.06845	0.5
169.04897	1.9
169.10066	0.5
180.10526	0.5
187.05959	4.7
189.16328	2.1
203.81895	0.5
207.17384	1.0
225.18472	0.9
229.07011	2.5
243.19670	0.7
247.08086	9.9
341.23032	1.1
512.78876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49707	1.5
53.00299	1.4
55.05502	11.4
57.03426	22.5
57.06808	2.3
57.07066	38.4
59.04969	6.1
60.48058	1.3
61.02896	7.4
67.05490	100.0
69.03415	1.8
69.07041	10.6
71.08613	26.4
73.02853	2.0
78.00211	1.7
79.05468	2.8
81.07038	24.5
83.08601	18.2
85.02876	3.7
85.06523	1.6
85.10172	15.3
87.04450	1.8
91.03965	2.1
91.05443	3.8
93.07021	8.2
95.08575	24.5
97.02796	2.3
97.10119	2.7
98.27748	1.6
107.08527	2.4
109.10139	84.3
111.08073	2.8
119.08555	6.4
123.11667	2.9
131.84088	1.5
133.10129	2.0
137.09550	1.8
140.71550	1.6
147.26534	1.7
155.10628	2.4
173.11700	23.7
173.65001	1.9
205.20764	1.8
210.32417	1.4
229.14311	72.2
238.24326	1.9
313.27310	72.8
356.45520	1.6
429.01492	1.9
459.61783	1.8
467.37210	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.3
53.03932	5.8
55.01851	2.5
55.05508	17.6
56.75040	1.0
57.03415	2.6
57.07058	4.8
58.27498	1.0
61.02898	7.0
65.03930	1.4
67.05489	31.7
69.03418	18.9
69.07056	26.1
71.04984	8.8
72.22774	1.1
73.02901	1.5
75.35888	1.0
79.05470	33.7
81.03407	10.0
81.07038	95.1
83.04953	5.9
83.08592	6.1
85.02884	38.0
85.06528	5.6
91.03930	1.4
91.05465	33.6
92.08714	1.6
92.09194	2.6
93.07021	100.0
95.04932	9.4
95.08582	60.3
97.02884	14.9
97.06503	4.5
97.10098	1.7
99.04447	1.7
103.05498	1.7
105.03377	8.6
105.07011	91.5
107.04959	1.8
107.08574	96.6
109.02859	5.8
109.06509	2.7
109.10139	51.1
111.08073	2.7
113.05961	1.3
115.05456	1.2
117.07012	11.3
119.08559	72.5
121.06476	1.4
121.10120	60.9
123.04354	1.7
123.08054	4.9
123.11678	19.1
125.09565	2.5
127.03871	6.8
127.07519	6.8
128.06203	1.7
129.06984	5.4
130.07762	2.5
131.08554	29.4
133.10098	44.4
135.08072	1.2
135.11644	22.9
137.05925	5.7
137.09605	2.5
137.13208	1.7
139.11131	1.6
142.07755	7.2
143.08545	16.4
144.09323	1.9
145.04959	6.1
145.10106	61.7
146.10930	1.6
147.04388	2.8
147.11668	44.0
147.12866	1.6
149.13248	23.8
151.11177	5.6
155.06984	1.5
155.08441	1.6
156.09377	2.1
157.10114	25.2
158.10944	2.3
159.11658	48.8
161.05975	1.6
161.09642	2.1
161.13220	25.6
163.05997	1.3
163.11156	2.8
163.14796	6.6
167.07040	10.0
169.09981	1.3
170.10867	1.8
171.11641	16.4
173.13231	20.7
175.14784	20.9
177.05376	1.3
177.16438	1.3
181.04878	2.7
183.06393	1.2
183.11819	1.3
185.13206	11.9
187.14810	10.1
189.16360	5.0
191.07025	2.4
193.15887	2.0
197.13228	2.4
199.14799	13.7
201.16388	30.4
203.18054	1.5
207.15257	1.2
211.14809	1.3
211.63193	1.2
213.16351	18.2
215.17722	1.8
218.99748	1.3
219.17291	1.4
227.17908	7.3
229.19461	8.3
238.88409	1.2
241.19342	1.5
249.07635	1.3
249.21480	1.2
269.22595	46.5
287.23636	19.6
395.71069	1.2
578.97101	1.3
640.07861	1.5
664.34180	1.5
665.21735	2.3
666.01495	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.7
55.01854	2.1
55.05494	5.0
57.03423	1.4
57.07069	1.5
61.02917	1.2
67.05487	13.9
69.03413	42.8
69.07037	10.9
70.06561	2.3
71.04968	6.1
73.02896	4.9
75.95969	1.1
79.05470	8.5
79.70113	1.2
81.03407	13.1
81.07040	21.0
83.01324	4.3
83.04962	2.5
84.08120	1.1
85.02885	81.0
86.09695	2.6
87.04436	2.2
89.03892	2.9
91.05448	14.4
93.07016	8.9
94.97826	1.2
95.04945	4.6
95.08586	18.5
97.02863	29.2
97.06520	1.6
98.97565	4.9
99.04434	12.8
101.05984	1.4
103.05482	1.5
105.03360	5.8
105.06345	2.1
105.07005	27.4
106.06536	2.4
107.04936	8.7
107.08553	11.9
109.02840	9.4
109.06503	7.7
109.10138	53.5
111.04427	12.3
116.04956	93.0
116.98586	1.9
117.07023	1.9
119.04896	1.7
119.08549	37.5
121.06466	2.1
121.10105	20.8
123.04409	1.3
123.08048	6.8
123.11679	70.1
125.05965	43.1
127.03886	33.5
129.12692	1.2
130.07741	4.6
131.01895	1.1
131.08560	8.4
133.06473	6.7
133.10060	2.3
134.05981	1.7
135.08038	1.7
137.05942	2.0
137.09598	1.6
139.07523	8.4
143.08514	2.4
145.04932	11.8
145.10098	19.0
147.04366	9.7
147.08035	11.1
147.11652	41.0
149.09596	20.5
151.07513	24.7
156.09303	7.4
157.10101	1.4
159.08089	2.2
160.08832	1.5
161.09584	1.8
161.13159	2.1
163.03810	2.5
163.11162	1.7
165.12726	2.7
167.10690	1.3
169.08543	1.4
171.11641	9.1
173.13095	1.2
174.10320	4.7
189.12703	31.7
191.10521	1.2
197.04829	2.3
207.13768	40.6
225.14839	8.8
237.07404	1.4
251.09186	8.7
263.09528	4.9
277.10541	4.3
315.16077	2.0
325.04126	1.1
333.12820	1.6
333.16888	57.5
351.17944	100.0
354.46625	1.1
363.46561	1.3
369.18930	28.6
418.98944	1.3
456.83884	1.2
484.23117	14.6
502.24225	33.0
664.28967	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	664.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01112	0.6
53.03936	6.0
55.01848	3.4
55.05501	12.2
57.03417	1.6
57.07048	3.0
61.02904	1.7
62.74647	0.6
65.03917	3.7
67.05494	23.2
69.03415	11.1
69.07050	15.1
71.04958	3.6
73.02919	1.2
78.04707	0.8
79.05472	20.5
80.05016	0.7
81.03399	17.9
81.07037	58.1
83.04951	1.6
83.08598	3.3
84.08025	0.7
85.02422	1.2
85.02888	25.8
85.06533	6.1
87.04430	1.1
91.05458	27.2
92.09003	5.4
93.03342	1.0
93.07021	55.7
95.04946	30.9
95.08582	32.4
97.02864	12.2
97.06503	20.6
97.10131	3.6
99.04443	3.3
103.05458	6.5
103.06075	0.7
104.54958	0.6
105.03374	39.5
105.04450	1.4
105.07013	52.4
106.04173	1.6
107.04928	4.0
107.08574	49.9
108.02075	1.4
109.02874	7.9
109.06489	7.2
109.10136	23.7
111.04419	1.8
111.08059	4.8
115.03956	1.0
115.05447	1.6
117.07001	8.4
119.04913	8.5
119.05991	0.9
119.08554	38.5
121.06495	4.4
121.10124	37.1
123.04401	19.1
123.08014	4.3
123.11686	11.2
124.05171	3.6
125.06001	7.5
125.09592	3.9
127.03934	6.9
127.07527	87.2
129.06953	4.0
130.07745	1.7
131.04880	7.4
131.08545	19.7
133.02757	0.8
133.06473	1.6
133.10100	27.6
134.03600	1.1
135.08015	4.2
135.11674	13.2
137.05971	14.2
137.09552	2.6
139.07500	1.0
139.11145	1.3
140.04633	6.3
141.06914	1.5
142.07722	4.3
143.08542	10.8
144.09305	3.0
145.02844	1.7
145.04924	1.5
145.06439	0.9
145.10107	37.3
147.04369	12.4
147.10620	0.9
147.11664	23.8
148.05157	3.0
149.05978	7.2
149.09650	1.0
149.13263	9.7
151.03883	4.9
151.07533	6.0
151.11124	3.4
152.04634	1.6
155.07013	23.1
155.08363	1.5
156.09276	1.4
157.10092	16.6
158.10844	3.4
159.11668	31.7
160.63097	0.8
161.05942	4.0
161.09529	1.0
161.13234	12.3
163.03853	1.3
163.07484	6.6
163.11140	2.9
163.14777	1.5
165.05409	1.6
165.09123	0.8
165.12753	0.8
167.07001	100.0
169.06374	1.3
170.10818	1.0
171.11642	11.1
173.09439	0.9
173.13214	12.4
175.11143	1.3
175.14807	8.8
176.04654	0.7
177.05383	6.2
177.12755	1.5
177.16333	1.2
179.07027	5.3
179.14172	0.9
181.04938	8.3
181.08499	1.1
183.06497	33.8
183.11623	0.9
184.07083	0.8
185.13208	8.4
187.07451	1.1
187.10977	0.8
187.14828	5.5
189.12766	1.4
189.16312	1.8
191.06978	14.0
191.14241	1.1
193.08623	1.5
199.14793	8.0
201.16368	16.3
203.07024	1.5
203.17900	1.1
207.06561	1.2
209.07996	5.5
213.16356	12.3
223.07384	1.4
227.17896	3.9
229.08487	1.3
229.19478	4.4
249.07501	4.2
255.10182	1.6
256.10944	1.3
257.08020	3.0
267.08521	1.3
269.22577	26.4
284.10257	1.6
287.12683	3.9
287.23676	9.6
313.10641	1.7
315.12140	8.4
345.12958	1.1
383.14932	3.0
401.15900	1.6
413.30359	1.2
431.31427	3.9
449.32922	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01867	0.3
55.05496	0.2
57.03421	0.6
60.47509	0.2
65.03909	0.1
67.05491	0.6
69.03413	2.0
69.07042	0.2
70.06584	0.2
71.04961	0.5
73.02895	0.2
78.04695	1.3
79.05470	2.2
80.04962	0.1
81.03399	4.7
81.07030	1.3
83.04971	0.5
85.02898	2.6
85.06542	0.2
85.16339	0.1
91.01832	0.1
91.05462	0.8
91.12527	0.1
92.08728	0.6
92.09357	0.3
93.07034	1.0
95.04952	3.0
95.05521	0.2
95.08568	0.7
97.02872	2.6
98.06013	0.1
99.04433	0.7
103.05446	0.5
105.03376	27.2
105.04526	0.7
105.07009	1.6
106.04154	1.1
106.37359	0.1
107.04926	1.1
107.08591	0.8
108.04477	1.8
109.02862	2.3
109.06475	0.3
109.10122	0.5
110.07146	0.2
111.08062	0.2
118.04156	0.2
119.04932	0.7
119.08561	0.7
121.06493	1.4
121.10123	0.3
122.03692	0.1
123.04411	6.4
123.11709	0.2
124.05193	2.0
125.06007	0.1
125.09547	0.2
126.05517	0.2
127.03926	1.5
131.04935	1.2
131.08554	0.2
133.06483	0.7
133.10098	0.7
134.03654	0.2
135.04437	0.3
135.08014	0.3
135.11678	0.2
137.05952	1.0
137.09567	0.2
143.08572	0.2
145.04990	0.3
145.06534	0.2
145.10130	0.5
147.04378	1.0
147.11674	0.2
149.05922	0.3
151.03876	1.1
152.04688	1.3
153.05423	0.7
157.10115	0.2
159.04375	0.3
159.11671	0.3
161.05949	0.3
161.13152	0.2
163.07550	0.2
165.05464	0.3
165.07005	0.3
167.07008	100.0
168.04117	0.2
168.07436	0.2
171.11600	0.1
173.05945	0.5
176.04523	0.2
177.05441	0.5
180.07826	0.2
181.04961	0.3
181.06467	0.6
181.08548	0.9
182.07257	0.2
183.06516	0.2
185.13155	0.2
186.83257	0.1
187.07430	0.2
187.14682	0.9
191.06999	2.3
193.08580	1.2
195.08057	0.5
198.06697	0.2
199.14819	0.2
201.05356	0.2
209.05968	0.1
209.07994	0.2
211.07567	0.3
213.09109	0.5
221.05952	0.1
223.07404	0.2
225.09155	0.2
226.06148	0.3
227.06870	0.4
233.08138	0.2
237.07584	0.3
239.07047	0.2
241.08568	0.6
249.05110	0.2
249.07521	4.3
253.08563	0.3
255.06543	0.2
267.08459	2.3
269.08090	0.2
270.08835	0.3
273.11108	0.5
276.56357	0.1
285.11246	0.3
287.19772	0.2
295.09561	0.6
301.10641	1.4
302.11368	0.5
313.10672	2.7
314.11362	0.2
323.22131	0.7
330.10852	0.2
333.13263	4.1
345.13257	10.0
363.14294	1.5
383.14670	0.6
427.17307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
51.61448	0.4
53.03939	5.1
55.01857	0.8
55.05507	0.6
57.03438	0.7
59.52587	0.3
61.12841	0.4
63.07045	0.4
65.03927	2.2
67.05489	7.3
69.03407	4.0
69.07053	0.9
71.04974	1.8
77.03930	0.4
78.04691	1.0
79.05467	3.1
81.03396	14.8
81.07044	3.0
83.04970	0.5
85.02870	4.4
85.06493	0.5
87.43607	0.4
89.03896	0.5
89.05998	0.4
91.05442	5.4
92.08385	0.4
92.09158	0.5
93.07013	2.7
93.12868	0.5
95.04945	27.9
95.08587	1.1
97.02847	4.4
97.06512	21.4
99.04433	0.8
103.03954	1.7
103.05437	1.7
105.03374	43.9
105.04513	1.9
105.07006	2.5
106.04164	0.7
107.04943	1.0
107.08565	2.8
108.02079	1.0
109.02882	4.1
109.06503	1.7
109.10114	0.7
111.04424	1.9
117.03341	1.9
117.06961	0.7
119.04919	8.3
119.08540	1.9
121.02873	0.6
121.06505	0.7
121.10131	0.6
122.83189	0.4
123.04409	19.7
123.08082	0.6
123.11622	0.5
124.05183	2.5
125.05958	6.6
125.09658	0.5
127.03883	1.9
127.07525	100.0
129.06961	0.4
131.04887	4.1
133.02817	1.0
133.06462	0.9
133.10085	1.0
134.03583	0.6
135.04378	0.8
137.05949	7.9
137.09570	0.5
139.07567	0.4
140.04666	5.6
141.06949	0.6
145.02820	0.6
145.04942	0.5
145.10086	0.6
147.04378	9.6
147.11687	0.6
149.05945	6.2
151.03880	5.4
151.04970	0.7
151.07521	4.5
152.04674	2.4
155.06999	24.0
157.10057	0.7
159.11644	0.7
161.05942	2.2
163.07520	2.2
165.05452	2.6
167.06999	95.5
168.07770	0.5
169.06453	0.9
175.07468	0.9
175.14803	0.5
177.05428	3.2
179.06992	5.5
183.06491	32.2
187.07327	0.5
191.06990	2.0
195.08014	1.0
197.05956	1.7
203.07025	0.9
207.06377	0.5
212.08258	0.6
215.07005	0.7
223.07492	2.5
224.08208	0.5
225.05331	0.8
225.09085	0.6
229.08586	1.9
233.08133	1.0
236.71017	0.5
240.07614	1.3
241.08484	2.1
245.07980	0.7
249.07478	4.3
255.10071	6.1
256.10880	1.0
257.07983	3.7
267.08582	1.1
269.08066	0.7
272.10706	0.5
275.08917	0.7
283.09784	1.5
284.10486	3.9
286.11731	0.4
287.12747	5.2
313.10556	2.1
315.12238	9.0
345.12991	0.6
397.12708	2.0
423.13736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.4
57.07067	65.5
65.17942	0.7
69.04198	0.7
78.34184	0.7
84.85100	0.8
85.45069	0.8
87.04442	1.3
91.05478	7.1
92.09100	1.4
105.06995	1.9
119.08540	1.1
144.76395	0.9
147.11618	6.0
152.08453	0.9
153.07024	3.4
175.34204	0.7
233.03679	4.8
251.04628	18.3
269.81049	0.9
307.10788	1.1
327.07742	100.0
328.08215	1.3
383.13974	64.1
422.34665	0.9
439.20227	65.9
495.19510	1.6
495.26541	49.0
551.32764	44.1
607.39044	48.7
663.45477	14.9
669.63611	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.1
53.65969	0.5
55.01855	1.4
55.05494	3.6
57.03418	1.3
61.02893	0.9
63.27811	0.5
65.03913	1.1
67.05489	10.3
69.03411	11.1
69.07042	3.3
70.06580	0.6
71.04967	8.5
73.02903	1.1
78.04665	0.7
79.05473	7.7
81.03397	15.7
81.07040	11.2
83.04956	3.0
83.08579	0.7
85.02882	13.7
85.06510	2.7
89.06007	32.6
91.05450	6.7
92.08903	2.6
93.07006	7.2
95.04945	23.8
95.08583	7.5
97.02868	14.9
97.06503	18.9
97.10112	1.4
99.04423	3.2
103.03912	1.3
103.05441	2.8
105.03370	42.8
105.06999	9.7
106.04143	0.6
107.04923	1.6
107.08549	6.5
108.02055	1.1
109.02867	9.2
109.06497	2.7
109.10151	8.8
111.04395	3.2
111.08018	1.0
113.92818	0.6
115.05382	0.8
117.06999	1.5
119.04904	5.9
119.08554	7.1
119.86947	0.6
121.06446	2.5
121.10113	5.8
123.04392	21.8
123.08045	2.5
123.11665	3.9
124.05198	1.2
125.05995	6.3
125.09605	3.0
127.03893	9.2
127.07520	87.2
128.06232	0.6
131.04916	5.9
131.08522	3.9
133.06470	1.4
133.10114	4.4
135.06516	4.8
135.08025	1.3
135.11650	3.3
137.05939	7.9
137.09550	4.8
138.25383	0.7
139.07457	0.9
140.04716	5.1
141.06946	0.9
143.08487	1.0
144.09293	0.7
145.02794	1.4
145.04919	4.2
145.10085	6.1
147.04375	9.7
147.11668	2.7
149.05913	5.0
149.09541	0.9
149.13304	1.1
151.03903	6.9
151.07492	5.2
151.11066	0.8
152.04665	1.1
153.05249	1.0
155.07028	19.0
157.10091	3.2
159.11670	4.8
161.05945	2.4
161.09576	1.3
161.13171	2.7
162.06683	0.8
163.03935	1.0
163.07481	4.3
165.05417	3.5
165.06798	0.7
165.09047	1.2
167.06998	100.0
169.06372	1.2
171.11621	1.3
173.05905	0.8
173.13173	1.4
175.11221	1.1
175.14769	0.9
177.05461	5.6
177.12648	0.9
179.06981	5.5
181.04898	3.5
183.02928	0.6
183.06488	27.3
187.07487	0.9
187.14746	0.9
189.09018	1.3
189.12721	1.0
191.06969	5.9
193.08517	1.0
195.08012	1.1
197.05905	1.2
197.13222	0.8
199.14717	0.7
201.16304	2.2
203.06981	1.3
207.06436	3.0
213.16313	0.8
223.07530	0.9
229.08543	1.5
233.08084	0.7
233.10182	0.8
240.07698	1.3
241.08563	1.1
249.07494	4.9
255.10178	5.0
256.10892	1.4
257.08032	2.4
261.09622	2.5
267.08551	3.8
273.07532	0.8
279.10562	3.1
283.09616	2.6
284.10428	1.5
287.12689	4.7
297.11041	0.8
313.10611	2.7
315.12137	8.1
333.08121	0.6
376.38287	0.6
377.19495	0.8
395.29654	1.2
397.12680	1.3
413.30389	3.8
423.14240	3.2
431.31464	4.1
449.32285	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	662.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61185	1.4
53.03930	3.8
55.01861	8.3
55.05504	48.6
57.03424	21.1
57.07077	2.9
60.25689	1.4
65.03941	3.2
66.94199	1.6
67.05489	100.0
69.03426	2.8
69.07055	39.2
71.04978	3.2
76.56207	1.7
79.05473	82.4
81.03397	3.0
81.07035	99.6
83.04958	8.9
83.08600	22.8
85.06521	3.0
87.04447	9.1
91.05458	74.7
92.08961	2.2
93.07018	83.7
95.04955	14.6
95.08582	68.4
97.06503	11.1
97.10143	15.8
97.26316	1.7
99.08054	1.9
105.07010	59.4
107.04948	7.9
107.08582	54.6
109.06503	4.0
109.10132	25.8
111.08032	2.3
115.05454	1.9
117.06998	20.0
119.06109	1.8
119.08571	40.4
121.06538	2.0
121.10116	27.5
123.11700	3.2
125.09619	12.3
128.06223	1.7
129.06969	4.0
131.08560	25.9
133.06467	2.6
133.10101	29.3
135.11670	11.9
137.09660	4.2
141.06947	2.3
143.08531	3.9
145.10107	22.9
147.11679	15.6
149.09633	10.2
149.13213	4.2
155.08543	2.0
157.10095	3.0
159.11678	22.3
161.13237	11.1
163.11157	2.2
163.14801	2.5
171.11665	3.3
173.13235	4.1
177.12689	2.7
183.11575	2.0
185.13202	3.1
189.11160	2.2
201.16451	2.7
227.12793	12.4
229.14322	2.2
257.19006	3.3
261.22070	4.5
267.15753	3.5
275.19986	29.7
335.25720	51.0
349.23737	22.2
469.75754	2.0
489.35364	7.9
505.35403	3.2
529.38635	2.6
569.42255	3.2
609.44904	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55854	0.8
53.00296	2.2
53.03929	4.6
53.97501	0.9
55.01866	4.3
55.05501	35.6
55.56217	1.0
57.03421	21.6
57.07056	4.9
65.03920	4.7
67.05486	98.9
69.03398	2.0
69.07047	34.2
71.04961	5.8
71.08606	1.3
79.05468	82.0
81.03391	2.5
81.07032	100.0
83.04967	7.3
83.08586	11.1
83.09013	1.2
85.06507	3.8
87.04446	7.3
90.31493	1.0
91.05455	69.7
92.09213	4.0
93.07017	87.3
95.04942	15.7
95.08575	59.3
97.06503	13.1
97.10136	4.3
99.08060	1.4
103.05437	1.1
105.04531	1.6
105.07005	48.0
107.04936	5.5
107.08562	39.0
107.09278	1.5
109.06475	7.4
109.10131	20.7
111.08084	1.5
111.11694	1.2
115.05431	1.4
116.16550	1.1
117.06992	22.1
119.08559	35.8
121.06469	2.3
121.10099	22.5
123.08058	4.6
123.11666	6.5
125.09569	1.3
128.06227	2.3
129.06944	7.8
131.08531	29.1
131.09444	1.7
133.10106	21.3
134.97545	1.1
135.08035	2.0
135.11673	18.2
137.09593	1.8
143.08524	5.8
145.10081	16.2
147.11658	11.0
149.09618	6.1
149.13240	7.7
157.10107	5.1
159.11688	12.2
161.13179	4.2
163.11111	2.5
164.41710	1.1
169.10098	2.4
171.11626	2.4
173.13249	4.8
175.14812	1.7
177.12701	1.5
185.13177	2.5
195.13815	2.5
201.16364	1.7
217.15829	1.8
219.17366	1.7
229.14351	1.2
255.15897	2.2
257.18906	4.3
261.22177	4.7
269.17398	5.2
275.19992	17.3
309.20514	2.0
335.25696	61.2
336.18491	1.2
349.23535	11.9
367.24722	1.7
489.35379	1.7
515.37170	9.0
529.38745	46.7
543.39929	1.9
569.41840	17.1
609.44458	9.7
627.45758	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	662.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15546	1.5
55.05506	10.5
57.07071	22.3
67.05501	14.4
69.07047	4.1
71.08610	11.6
79.05476	14.4
81.07043	20.6
83.08608	4.0
85.10167	2.4
87.04465	6.2
91.05449	6.2
92.09111	14.0
93.07043	22.9
95.04933	2.4
95.08606	23.2
97.10162	3.4
105.07024	7.2
107.04935	3.4
107.08578	18.7
109.10112	3.6
117.07015	3.6
119.08579	8.7
121.10125	8.2
135.11673	29.7
140.26712	1.7
144.73868	1.7
145.10152	14.8
163.11140	31.9
181.12250	3.5
202.27246	1.6
227.12801	27.1
227.43512	1.7
243.79453	1.6
252.15944	1.9
283.15216	2.1
299.05627	2.2
315.12088	1.9
521.38269	100.0
522.39197	1.9
609.20880	1.8
662.40533	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	662.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92189	3.2
53.03932	3.2
55.01851	7.8
55.05504	53.6
57.03416	22.4
57.07066	9.0
58.85222	3.2
60.16069	3.1
60.79596	4.3
60.90718	3.6
62.40418	3.3
67.05490	88.4
69.07056	43.2
79.05474	85.1
81.07039	100.0
81.29053	3.8
83.04955	5.6
83.08622	29.7
87.04449	17.6
91.05450	56.8
92.09135	18.5
93.07021	81.3
95.04934	9.5
95.08589	59.7
97.06487	4.9
97.10142	40.4
99.08128	3.6
105.07005	44.7
107.04929	5.6
107.08571	78.8
109.10128	25.5
117.06987	16.3
119.08573	33.0
120.00668	3.6
121.10088	30.5
125.09628	29.7
131.08539	22.5
133.10098	20.6
135.03162	4.0
135.07983	4.8
135.11617	8.7
145.10101	20.6
147.11642	14.7
149.09586	6.2
149.13219	6.5
159.11665	7.0
183.42662	4.4
185.13164	5.2
189.11198	14.4
190.20160	5.0
203.89417	3.9
227.12723	31.1
239.51517	4.1
257.18909	6.8
261.22153	7.2
275.20026	24.2
316.57022	4.4
329.01160	4.4
335.25702	71.8
349.23611	33.3
505.34982	24.3
609.45038	62.4
669.51276	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	662.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30416	1.6
60.29909	1.8
60.85933	1.6
63.82520	1.9
67.05490	10.0
69.46953	1.7
79.05491	8.0
81.07053	3.7
87.04462	4.7
91.05469	2.4
92.08703	4.3
92.09245	6.0
93.07051	3.2
95.08599	1.7
145.10135	2.3
190.84175	2.3
417.20782	2.1
431.18039	2.2
432.18936	2.6
433.23734	4.6
444.19894	2.3
445.19522	6.2
446.16800	2.1
447.17822	2.7
459.21619	59.6
460.22369	11.6
461.23062	4.3
473.23645	2.9
475.21017	19.1
508.91385	2.3
519.23730	9.9
529.38574	2.8
531.23853	3.4
535.23785	4.0
545.25037	2.4
546.25806	3.9
547.27087	36.9
593.23785	4.0
605.28101	2.4
606.28253	100.0
607.28687	9.2
622.27838	56.9
662.29547	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	662.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.8
55.01866	4.7
55.05504	24.6
57.03428	31.5
57.07060	3.0
59.18059	0.6
61.02917	6.0
65.03918	1.2
67.05492	59.2
67.38203	0.5
69.03415	6.1
69.06715	1.0
69.07056	20.5
71.01331	5.1
71.04973	8.1
73.02890	1.1
74.79937	0.6
79.05474	57.7
81.03398	65.1
81.07036	40.2
81.07533	0.9
81.53320	0.6
83.04966	25.5
83.08601	24.6
85.02886	24.1
85.06534	4.9
86.09700	1.4
87.04472	0.5
88.09268	0.6
91.03924	1.3
91.05461	39.7
92.08872	3.8
93.07021	62.1
95.04945	27.6
95.08584	14.2
97.02869	6.9
97.06516	15.2
97.10145	16.5
99.04384	2.2
99.08075	2.9
105.03362	1.2
105.04511	0.9
105.07011	24.8
107.04939	7.5
107.08575	38.1
108.10564	0.6
109.02857	1.0
109.06493	6.1
109.10146	7.9
111.04429	2.4
111.08070	10.1
113.05963	2.2
115.05408	1.1
117.06982	5.3
119.04903	0.7
119.08552	22.2
121.06473	3.3
121.10124	14.8
123.08035	1.2
124.99930	0.9
125.09573	3.1
129.06970	10.7
130.07690	0.8
131.08549	8.8
133.06445	4.2
133.10092	13.5
135.08002	1.2
135.11668	54.6
137.09567	3.9
142.07741	2.7
143.08604	0.7
145.02853	1.0
145.10120	13.9
147.04405	2.4
147.08018	3.9
147.11658	13.8
149.09589	5.7
153.12766	0.9
155.08430	0.6
157.10110	13.3
161.09599	0.9
163.11142	8.6
165.12663	2.5
175.11151	14.9
177.05435	3.2
181.12206	10.5
184.07320	3.8
193.12213	35.2
199.13199	1.3
200.95084	0.6
211.13251	33.3
249.07420	0.6
249.14937	0.8
255.15848	83.5
267.15833	17.5
285.13840	1.1
285.16882	23.3
421.25748	3.0
447.27316	39.4
465.28375	100.0
528.04181	0.6
662.27924	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.8
53.00288	0.7
53.03926	3.9
55.01857	4.5
55.05493	4.0
57.03405	0.9
59.04996	1.4
65.03912	6.6
67.05502	7.0
67.75213	0.9
69.03404	6.6
69.07052	4.0
71.04983	1.0
75.04455	4.6
78.04673	3.2
79.05466	13.6
81.03399	4.4
81.07034	12.9
82.04172	1.6
83.04959	1.7
83.08631	1.0
84.63274	0.8
85.02878	10.9
85.06539	1.4
86.09676	1.2
89.03849	0.9
91.04891	0.8
91.05463	21.5
93.03371	14.1
93.07009	15.5
95.04946	13.3
95.08572	7.7
97.02840	1.7
97.06503	8.0
97.10149	1.5
103.05450	25.6
105.03378	9.5
105.04494	0.9
105.07008	17.0
106.04163	31.8
107.04932	14.8
107.08551	6.8
107.85282	0.7
108.02095	1.0
109.02863	1.8
109.06501	3.6
109.10138	6.7
110.03620	1.0
111.04410	3.2
112.07589	1.2
115.05430	7.6
117.03355	1.1
117.06986	6.2
118.04136	6.3
119.04931	4.9
119.08541	7.1
120.05657	1.0
121.06473	37.8
121.10132	6.1
122.03622	1.3
123.04402	9.6
123.08041	3.3
123.11671	3.5
124.05195	3.4
125.05963	12.9
125.09631	1.1
127.03845	1.3
129.07050	3.2
130.04088	1.2
131.04898	24.2
131.08530	5.2
132.05707	1.6
133.02786	1.2
133.06474	12.0
133.10098	4.3
134.03603	5.5
135.04376	3.4
135.08034	4.6
135.11665	1.6
136.22260	0.7
137.05936	10.1
137.09631	1.1
138.03119	1.3
139.07512	4.7
141.06955	1.1
142.02608	1.6
143.04951	1.2
143.08528	1.9
144.05734	1.3
145.02824	2.0
145.06483	7.4
145.10092	3.9
147.04388	4.8
147.08022	3.7
147.11655	3.3
148.05147	16.9
149.05952	60.8
149.09628	1.7
151.03865	6.3
151.07513	5.0
152.04730	1.7
153.05417	6.7
153.09058	13.9
155.06003	1.3
157.10120	1.9
159.04408	1.4
159.08025	3.5
159.11681	1.4
160.05186	1.5
161.05927	14.1
161.09526	1.0
161.13139	1.5
162.06616	1.3
163.03883	1.9
163.07498	30.6
165.05444	1.3
167.06996	73.8
169.09924	1.0
171.06480	6.8
173.05945	8.9
173.13187	1.1
175.07484	4.1
176.04620	3.2
177.05412	30.6
177.09003	1.2
179.07033	1.1
180.07698	1.0
181.04922	74.2
181.08513	23.8
182.05374	1.1
184.07430	1.5
185.13303	1.3
187.07504	3.7
189.12737	1.0
190.06213	1.4
191.06984	72.2
192.07684	1.1
193.08540	3.7
195.06433	3.4
201.05379	1.3
203.06976	3.3
205.08591	5.5
207.06425	1.5
207.10092	1.1
209.08049	100.0
210.08423	1.2
217.08640	1.7
219.10161	1.9
233.08037	5.1
235.07384	1.8
235.09625	4.3
251.06560	1.0
252.07716	1.6
263.09076	11.5
267.10132	3.4
267.20877	1.3
324.09857	1.1
325.10498	1.7
329.13690	1.1
355.11670	1.3
357.13226	4.6
385.12790	6.5
387.14334	1.1
399.14325	1.5
401.46185	0.9
417.15338	16.4
429.29855	3.1
447.30884	1.3
591.15063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.4
53.03923	1.4
54.89076	0.3
55.01858	5.2
57.03416	0.6
59.04998	0.3
65.03922	6.1
67.05494	3.6
69.03406	2.3
69.07040	0.6
71.04977	0.8
75.04457	5.3
77.03925	0.4
78.04684	3.6
79.05476	7.7
81.03392	2.9
81.07024	2.7
82.04173	1.6
83.04958	0.6
85.02886	8.5
87.04479	0.3
89.03889	2.2
89.06006	0.7
91.05457	21.9
92.09160	0.4
93.03379	15.0
93.07018	10.0
94.04159	0.4
95.04944	11.2
95.08572	1.4
95.52557	0.3
97.02892	1.3
97.06507	5.5
98.97638	0.3
102.04693	0.3
103.05444	27.4
105.03384	3.8
105.04488	2.1
105.07006	12.1
105.07721	0.3
106.04150	38.0
106.07352	0.4
107.04935	14.8
107.08588	1.7
108.02097	0.4
108.05717	0.4
109.02882	0.7
109.06456	2.9
109.10120	0.7
110.03654	2.3
111.04424	2.6
115.05430	7.8
117.03349	1.8
117.06979	6.7
118.04144	5.9
119.04910	4.6
119.08549	1.7
120.05690	1.7
121.06479	41.7
121.10131	1.6
122.03599	1.4
123.04408	7.0
123.08028	1.7
124.05192	4.2
125.05959	15.1
125.09634	0.4
128.06180	0.6
129.06996	1.4
130.04109	1.6
130.46548	0.4
131.04906	24.6
131.08521	1.5
132.05687	2.9
133.02829	4.7
133.06456	12.2
133.07382	0.6
133.10077	0.6
134.03616	6.6
135.04385	3.6
135.08014	3.6
136.05200	0.5
137.04967	0.7
137.05951	9.9
138.03130	0.8
138.06728	1.6
138.66020	0.3
139.03870	0.5
139.07544	4.0
142.02602	2.0
143.04884	1.5
143.05943	0.4
144.05716	2.4
145.02829	2.1
145.06454	8.1
146.03624	1.7
146.07269	0.8
147.04378	2.8
147.08017	3.7
147.11719	0.5
148.05164	17.4
149.05951	66.3
150.06618	0.6
151.03873	3.9
151.07509	4.1
152.04651	2.1
152.08290	0.7
153.05455	6.0
153.07906	0.7
153.09077	16.2
155.06015	1.3
157.06479	1.7
158.07140	0.4
159.04378	1.4
159.08011	2.5
160.05156	1.6
161.05939	16.1
162.03101	0.4
162.06755	2.3
163.03925	2.8
163.07498	26.5
165.05542	2.6
165.06778	0.5
165.09113	0.7
166.02605	0.6
166.06190	1.8
167.06995	73.0
171.04259	0.6
171.06490	5.4
172.05220	0.5
173.05919	7.2
174.06729	0.6
175.03889	0.6
175.07500	3.9
176.04613	2.5
177.05424	32.3
177.08858	1.0
178.06018	0.5
179.06998	2.1
180.07735	0.6
181.04921	67.4
181.08521	22.1
182.05429	0.4
183.06557	0.4
183.80411	0.4
185.05923	0.7
187.07446	3.4
189.05457	1.7
189.09035	4.9
190.06235	1.6
191.06989	69.3
192.05846	0.3
192.07719	2.3
193.04929	1.4
193.08575	3.2
195.06464	1.9
195.08020	0.5
197.05923	0.5
197.08034	0.5
201.05415	2.1
202.06189	0.4
203.07039	3.0
205.06612	0.6
205.08572	3.7
207.06476	1.4
207.08189	0.6
207.10075	1.6
209.08046	100.0
210.08389	0.6
211.07642	0.4
212.55478	0.3
217.08537	2.0
219.06306	0.4
219.08157	0.7
219.10130	2.5
221.05869	0.5
221.08008	0.5
225.07378	0.5
229.08440	0.6
231.06380	0.5
233.07976	3.8
234.06757	0.5
235.07382	2.2
235.09625	4.5
236.08176	0.8
237.08997	0.6
243.06256	0.4
245.07967	0.4
247.07434	0.5
249.05380	0.4
252.07776	0.5
257.07983	0.7
261.11224	0.4
263.06546	0.7
263.09088	11.0
264.07733	0.8
265.08508	0.7
267.10211	3.2
269.11401	0.3
279.06564	0.4
279.10117	0.5
281.08014	0.6
285.22177	0.5
291.06418	0.4
293.07895	0.4
295.09561	0.6
297.11166	1.5
299.09201	0.4
307.09570	0.6
308.10068	0.4
311.12543	0.5
323.09128	0.5
325.10538	1.9
327.12332	0.5
335.09128	0.5
339.12088	1.3
355.11649	0.5
357.13275	3.5
359.14877	0.5
367.11511	0.8
369.13419	0.5
385.12772	5.6
389.16153	0.5
399.14224	1.9
417.15369	10.7
506.18930	0.4
507.19516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
52.02829	0.2
53.03936	3.3
55.01869	1.7
57.03426	1.4
57.44769	0.2
58.89313	0.2
69.03416	6.6
70.14164	0.2
71.04977	0.4
73.02885	0.4
76.34181	0.2
77.03886	0.4
79.05473	6.2
81.03399	12.9
81.07043	0.3
81.67972	0.2
85.02888	9.5
89.03880	0.3
91.05466	8.1
92.05782	0.2
92.08697	0.5
92.09256	0.6
93.07015	1.2
94.04155	0.4
95.04947	8.0
97.02868	7.4
99.04434	2.0
103.03947	2.4
103.05443	8.1
103.06100	0.4
105.03374	100.0
105.07015	4.9
106.03677	0.6
107.04938	11.3
108.04446	0.2
109.02864	8.1
109.06506	1.3
111.04435	0.5
115.05431	2.3
117.03334	1.4
117.07017	1.2
119.04123	0.5
119.04924	7.5
119.08572	0.4
120.05685	0.3
121.06483	3.4
122.03609	1.7
123.04407	10.7
123.08061	0.3
127.03904	4.5
128.06197	0.9
129.07016	2.2
130.04143	0.4
131.04906	17.2
131.08487	0.8
132.05309	0.4
133.02834	1.4
133.06448	3.2
133.10106	0.4
135.04379	0.8
135.08028	3.7
137.05952	34.4
138.06310	0.3
141.06969	1.0
144.05684	0.4
145.02827	6.6
145.05052	0.4
145.06490	1.2
146.03575	0.4
146.07242	1.0
147.04396	5.4
147.08037	0.5
148.05168	1.1
149.05952	8.2
149.09634	0.5
150.06729	0.5
151.03873	0.9
151.07513	12.8
156.05519	0.2
157.06433	1.8
159.04384	0.3
159.08072	0.4
160.05183	0.4
161.05949	32.5
161.09578	7.8
162.06750	2.4
163.07513	19.3
165.05481	2.6
165.06926	0.5
165.09061	0.5
167.07092	0.4
167.08522	1.2
169.06479	1.5
171.04318	0.3
174.06715	1.6
175.07510	7.3
175.14772	0.4
177.05438	16.0
177.09081	1.5
179.07042	1.3
179.08511	0.5
181.06419	0.3
181.08588	2.5
187.07545	1.1
188.04634	0.4
189.05505	0.4
189.09067	17.8
191.06998	2.7
191.08527	0.5
191.47528	0.2
193.06506	0.4
193.10118	0.9
195.08057	2.9
195.09930	0.4
197.05923	2.3
199.07466	0.5
201.09085	1.2
203.06995	6.1
203.08701	0.4
205.08490	0.4
207.06491	1.0
207.10132	12.7
210.06810	0.9
211.07582	0.9
212.08308	0.3
213.08954	0.5
215.07004	1.3
217.08653	0.4
218.07225	0.3
219.10127	2.0
221.05959	1.2
221.09557	1.2
223.07549	1.1
224.08261	0.4
225.05486	0.5
225.09106	1.1
226.06314	0.3
227.07091	0.4
227.10651	3.2
229.08560	3.4
231.06451	1.2
231.10144	0.4
233.07951	2.4
235.07430	0.3
237.09140	0.9
238.06190	0.3
239.06905	0.4
241.08594	0.3
245.07964	0.3
249.07465	8.9
249.11290	0.4
253.08589	1.6
253.12091	1.9
255.10167	3.5
257.07999	6.5
265.08466	0.4
267.08505	10.6
269.08093	0.3
273.11194	1.9
275.09189	1.7
281.11685	0.3
285.11136	2.3
287.12753	4.1
291.12167	1.0
293.10092	0.3
297.11093	1.2
299.12714	1.1
311.12753	4.5
313.14291	3.9
317.10229	0.3
324.69678	0.2
325.14078	0.3
331.15335	11.7
339.10730	1.2
343.15259	1.5
379.11664	0.5
397.12689	2.4
413.16031	0.6
415.13766	1.0
421.16309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01570	0.3
51.02358	0.5
52.73578	0.2
53.00293	0.3
53.03939	2.8
55.01851	1.6
55.05502	0.3
57.03421	1.2
57.04846	0.2
61.02906	0.4
65.03941	0.3
67.05478	0.6
69.03411	7.8
69.07038	0.3
71.04970	0.5
73.02901	0.3
73.61787	0.2
77.03889	0.5
79.05048	0.4
79.05479	6.9
81.03398	14.0
81.07034	1.0
85.02892	10.1
91.05460	7.5
93.07036	1.4
94.04169	0.4
95.04944	8.9
95.08570	0.4
97.02874	7.5
97.10180	0.4
99.04433	1.4
103.03963	2.2
103.05445	8.1
105.03373	100.0
105.07000	5.4
105.07668	0.4
107.04942	12.5
107.08578	0.4
108.04500	0.5
109.02856	8.1
109.06506	1.5
109.10123	0.3
111.04391	0.5
115.05418	2.7
117.03388	0.4
117.06981	1.3
119.04919	7.5
119.08557	0.4
121.06496	3.1
122.03632	2.1
123.04398	10.7
123.08069	0.4
127.03899	4.8
128.06189	0.5
129.06993	3.2
130.04170	0.4
131.04906	17.9
131.08575	1.1
133.02811	1.4
133.06476	3.4
133.10020	0.4
135.08035	4.3
137.05952	31.8
141.06900	1.0
143.04926	0.5
143.08490	0.3
145.02797	1.3
145.04936	1.0
145.06499	1.0
145.07582	0.3
146.03566	0.4
146.07249	1.1
147.04369	5.0
147.08055	0.5
148.05159	1.6
149.05951	7.2
149.07079	0.4
149.09578	0.4
151.03876	1.5
151.07520	14.1
152.73973	0.2
153.49286	0.2
157.06509	1.9
159.04439	0.3
159.08022	0.4
160.05144	0.6
161.05943	35.5
161.09583	8.8
162.06779	2.5
163.07510	21.4
165.05450	1.8
165.06920	0.6
165.09068	1.0
167.08554	1.6
168.05812	0.3
169.06389	1.8
173.09633	0.3
174.06747	2.4
175.07509	6.7
176.04758	0.3
177.05482	2.1
177.06807	0.3
177.09021	1.7
179.06979	1.6
179.08403	0.3
181.04971	0.5
181.06488	0.3
181.07098	0.3
181.08562	3.3
181.10027	0.4
187.07523	1.2
188.04691	1.0
189.09070	18.6
191.07022	2.5
193.06502	0.6
193.08556	0.4
193.10168	1.1
194.07120	0.4
195.08083	3.2
195.09833	0.4
197.06052	2.1
199.07489	0.4
201.09119	1.4
203.06993	5.8
203.08673	0.4
205.06754	0.3
205.08528	0.6
207.06581	0.4
207.10123	13.3
207.12047	0.5
209.09628	0.4
210.06775	0.6
211.07567	1.0
213.09035	0.3
215.07002	1.2
217.08521	0.3
219.10098	2.7
221.05975	1.1
221.09560	1.1
223.07529	1.4
224.08311	1.1
225.05405	0.4
225.09096	1.2
227.10666	3.9
229.08511	2.8
231.06631	0.4
233.07849	2.3
237.09123	1.4
239.06909	0.4
240.07835	0.3
249.07471	9.7
249.11325	0.5
253.08589	1.6
253.12094	1.8
255.10059	3.3
257.08038	5.5
265.08594	0.6
267.08459	11.0
269.08115	1.1
269.11667	0.3
272.10413	0.3
273.11203	1.6
275.09183	1.5
275.12775	0.3
281.08713	0.4
281.11728	0.5
285.11218	2.4
287.12732	4.8
291.12115	1.1
297.11148	1.5
299.12872	0.5
311.12714	4.0
313.14233	5.1
325.14450	0.4
331.15341	12.5
343.15372	1.6
376.60281	0.3
379.11694	1.0
397.12756	2.2
415.13727	1.3
455.26004	0.3
591.21942	0.3
626.00531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13819	0.5
51.11068	0.5
51.84200	0.5
55.05501	0.9
55.87996	0.5
55.96486	0.5
57.03423	0.6
61.02912	0.6
67.05494	3.0
69.03422	0.7
71.04976	1.0
79.05479	2.8
81.07050	1.5
86.09718	0.8
90.81851	0.5
91.05464	1.2
92.08695	2.9
92.09310	2.6
93.07044	1.5
95.04996	0.8
95.08595	1.0
97.02856	0.8
97.06560	1.0
105.03400	3.4
105.07030	1.5
107.08576	0.6
109.02905	0.7
119.08594	0.9
121.10165	0.8
129.06985	0.6
135.11676	0.6
145.10194	0.9
157.10237	0.7
163.04012	0.7
184.07399	2.9
197.01247	1.2
204.06793	0.7
233.89680	0.8
334.83017	0.8
443.24243	4.4
444.18243	0.8
457.15201	2.6
463.26767	1.1
464.27029	1.0
472.17471	2.5
497.18100	0.9
498.19443	0.7
499.26431	4.7
556.19464	1.0
559.21875	2.8
619.23846	3.7
629.22662	3.0
633.32251	1.4
661.32043	100.0
662.32477	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01872	0.7
55.05503	2.5
57.03423	4.4
58.26920	0.4
58.31249	0.4
59.04987	0.7
59.48621	0.4
60.26440	0.4
61.02895	1.9
64.02902	0.5
67.05489	1.8
69.03411	19.2
69.07061	0.6
70.11062	0.4
70.69071	0.4
71.01349	0.5
71.04973	1.0
73.02882	0.7
75.04458	3.3
76.65334	0.4
79.05475	18.3
80.87222	0.5
81.03400	17.6
81.07032	4.6
81.20845	0.4
83.04967	2.1
83.90232	0.5
85.02412	0.9
85.02888	11.8
85.03362	0.7
86.09686	1.2
86.61330	0.5
87.04460	1.7
91.05460	15.8
92.63062	0.6
93.07019	100.0
95.04945	5.1
95.08603	3.0
97.02865	12.8
97.06526	0.9
99.04448	3.1
103.05450	0.7
104.10725	3.0
105.03376	2.4
105.04540	0.6
105.07018	10.8
105.07680	0.9
107.04913	0.8
107.08575	12.5
109.02854	6.9
109.06509	1.1
109.10121	1.2
111.04434	0.6
111.07419	0.4
111.08029	3.9
116.06190	0.7
117.07014	1.1
119.08555	27.0
119.09390	1.1
121.06512	3.5
121.10114	95.7
122.10471	0.9
123.04410	0.8
123.08047	2.9
123.11680	1.2
124.01894	0.6
125.05981	0.7
127.03876	5.5
129.05489	1.9
129.07016	1.1
131.08531	11.3
133.07520	0.8
133.10098	0.7
135.08073	0.5
137.02303	1.1
137.05977	0.7
139.11140	4.5
143.08595	0.6
145.04950	2.8
145.10114	0.8
147.04440	0.8
147.08014	1.0
147.11658	0.7
149.09602	31.6
157.10112	0.7
159.11742	0.8
163.03810	0.5
165.09048	1.1
167.03383	7.0
167.10623	15.7
177.05504	0.7
184.07283	0.7
189.05423	2.0
207.06445	1.9
215.11551	0.9
229.08530	2.9
241.13293	0.7
247.09535	1.8
257.11670	0.8
275.12631	1.8
275.87762	0.6
283.15326	1.8
284.11395	0.5
285.11081	0.6
293.13745	10.4
297.12164	0.8
303.12253	0.8
311.14804	22.3
315.13190	0.6
333.14420	0.6
341.11023	0.8
429.15408	1.1
447.16437	0.7
465.17422	0.8
661.22058	1.0
662.22504	4.4
662.37671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18276	1.4
52.39535	1.2
55.05497	2.2
57.03411	1.5
57.08436	1.2
67.05477	6.5
69.03415	1.7
69.07038	3.2
70.05353	1.2
79.05476	3.0
81.03360	4.3
81.07033	6.6
83.77576	1.6
85.02841	1.6
86.32132	1.3
87.04474	1.8
90.26434	1.3
91.05458	7.8
92.08878	7.0
93.07018	7.5
95.04947	2.0
95.08598	5.5
105.03355	12.6
105.07010	3.7
107.08595	1.9
109.10139	2.3
113.85036	1.3
114.12760	1.4
114.37525	1.8
117.07006	1.6
119.08591	2.6
121.10155	2.9
131.08600	1.8
133.06456	1.8
150.07765	1.4
157.10133	1.6
157.35974	1.6
165.09042	3.2
204.83145	1.8
241.13281	3.4
267.08801	1.9
269.12747	2.6
351.09628	1.9
643.26630	1.8
661.28082	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	661.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01849	1.2
55.05490	2.1
57.03427	0.5
57.52173	0.4
65.03925	6.4
67.05484	5.5
68.94463	0.4
69.03412	4.6
69.07040	1.0
71.04958	0.8
75.35654	0.4
79.05470	6.0
81.03391	4.9
81.07022	3.0
82.04170	1.9
83.04958	1.2
83.08592	2.1
85.02887	6.1
85.06540	0.8
91.05445	4.3
92.08860	0.7
93.03368	1.1
93.07002	4.5
94.29088	0.4
95.04951	5.1
95.08566	3.4
97.02839	2.6
97.06495	4.7
100.11239	4.4
103.05451	3.9
105.03364	12.1
105.04485	0.7
105.07001	6.4
106.03626	0.8
107.04926	8.6
107.08562	3.1
108.02048	1.0
109.02840	1.0
109.06489	2.4
109.10123	2.3
109.66641	0.4
110.03617	3.2
111.04416	4.3
112.20836	0.5
115.05438	4.5
117.06952	3.8
119.04899	2.4
119.08556	3.9
119.09312	0.5
121.06454	2.3
121.10100	1.2
122.03584	0.6
123.04414	2.5
123.08023	1.0
124.05145	0.8
124.15218	0.7
125.05920	3.7
125.09563	0.8
127.03852	1.0
129.06970	2.9
131.04898	9.0
131.08525	2.1
132.05255	0.8
133.02829	1.2
133.06438	3.9
133.10066	2.3
135.04393	1.2
135.07994	0.6
136.05138	0.6
137.05936	7.5
138.03059	2.5
138.06226	0.7
139.03838	1.2
142.02567	2.8
143.04907	0.8
144.05649	2.1
145.06517	4.8
145.10051	1.0
147.04382	2.7
147.08002	2.7
147.11626	1.1
149.05948	3.3
149.09535	0.7
149.13310	0.5
151.03868	4.5
151.07516	2.3
152.04222	1.2
153.05417	3.3
154.06291	0.7
155.04881	0.6
155.06004	0.8
157.06519	2.1
157.10062	0.6
159.04442	0.8
159.08012	2.2
160.05177	0.6
161.05940	9.2
162.06430	0.9
163.03836	1.9
163.07521	2.3
165.05418	1.2
166.02640	0.6
167.06979	15.3
171.06522	7.0
172.05112	2.8
173.05945	3.3
175.03955	1.0
175.07474	3.4
177.05432	3.5
179.07019	0.9
181.04909	100.0
182.15340	2.3
185.05930	0.6
187.07417	2.1
189.05441	1.9
189.08934	0.7
190.06133	0.8
191.06979	3.0
191.10606	0.7
193.08554	2.1
195.06468	1.2
200.04645	0.9
201.05383	1.2
203.06966	1.0
205.06776	0.7
205.08556	2.9
206.05756	0.8
207.06477	2.9
207.10094	0.6
209.08121	2.1
210.14825	2.3
211.07446	0.7
217.08557	1.2
218.05608	1.2
219.06357	1.0
221.07886	4.1
232.67906	0.6
233.05826	1.0
233.07980	10.1
234.06566	0.6
235.07391	0.6
235.09549	3.0
247.07535	0.7
249.07501	2.5
261.07568	2.1
263.06842	0.6
264.07608	0.6
267.08627	0.9
277.08487	0.7
279.08603	3.6
280.06952	0.6
293.07660	0.8
294.08798	0.7
295.09412	0.7
308.06842	0.6
309.07516	0.8
309.11105	0.7
312.09323	0.6
323.09018	1.0
324.09454	0.6
327.02045	0.6
337.10648	0.9
353.10031	1.2
355.11179	0.7
373.12515	1.0
383.11340	0.9
385.12717	2.2
401.12164	5.8
403.13803	2.2
415.13806	34.0
416.14697	4.4
433.14554	2.4
442.00986	0.6
445.29117	0.9
463.19171	0.5
595.21326	0.8
616.82098	0.6
643.23560	2.0
652.46320	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	40.0
55.52360	5.4
57.03424	42.8
57.07071	9.7
58.03989	5.1
64.94018	6.5
67.05497	100.0
69.07046	44.4
70.46172	5.8
71.04957	6.0
72.37530	6.4
72.71903	5.7
79.05476	82.1
81.07039	92.6
83.08609	28.4
91.05470	46.2
92.08719	38.7
92.09337	18.5
93.07027	80.5
95.08568	66.8
97.10147	15.2
105.07005	27.6
107.08574	30.5
109.06501	11.0
109.10152	10.0
119.08542	12.0
121.10111	8.6
129.06941	7.6
131.08546	12.9
133.10133	25.7
133.73589	6.3
143.82925	7.1
145.06410	6.8
147.11630	8.9
210.05766	6.8
218.42081	7.4
223.13191	9.1
272.03998	6.7
273.18356	8.0
291.19467	81.2
335.25809	59.5
365.23157	24.4
415.71527	6.9
625.44348	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68664	0.3
53.03925	0.8
54.50745	0.4
55.01852	1.1
55.05492	1.8
57.03438	0.6
57.07065	0.6
65.03926	5.9
67.05503	3.8
67.05827	0.4
69.03416	4.7
69.07037	1.1
71.04957	0.5
78.04684	0.7
79.05472	5.6
81.03387	4.2
81.07027	3.9
82.04180	2.1
82.18218	0.4
83.04964	0.4
83.08614	0.6
85.02885	6.1
85.06491	0.7
91.05470	4.6
93.03378	1.9
93.07024	3.2
95.04951	5.6
95.08596	3.3
97.02853	1.9
97.06511	2.5
100.11237	2.1
103.05423	4.2
105.03380	11.8
105.07032	6.3
106.07352	0.7
107.04939	10.8
107.08575	1.1
109.02867	1.0
109.06512	0.8
109.10123	0.9
110.03644	3.1
111.04451	4.9
111.08025	0.6
115.05466	3.5
117.07001	2.6
119.04884	2.8
119.08554	3.3
121.06448	2.4
121.10108	1.9
123.04425	3.6
124.05180	1.9
125.06002	3.3
127.03883	1.0
129.06999	2.1
131.04926	6.8
131.08539	1.8
133.02850	1.2
133.06454	4.7
133.10074	0.8
135.04387	0.6
135.08017	0.7
137.05917	5.9
137.09552	0.5
138.03091	2.2
138.06297	0.5
139.03860	1.1
142.02614	2.5
144.05670	1.1
145.06458	5.4
145.10138	0.8
147.04404	2.5
147.08020	0.8
147.11633	1.0
149.05948	2.7
151.03889	3.9
151.07599	1.6
152.04430	1.1
153.05476	3.7
156.05632	0.5
157.06461	0.9
159.08015	1.0
159.11589	0.9
160.05092	0.9
161.05942	7.0
163.03796	1.1
163.07524	3.3
165.05432	2.5
165.09081	0.5
167.05621	0.9
167.07005	17.0
171.06496	6.8
172.05176	3.1
173.05963	3.3
175.07483	4.5
176.04666	0.9
176.07867	0.5
177.05486	3.5
179.07034	0.7
181.04924	100.0
182.05127	0.6
182.15366	1.1
184.34883	0.5
187.07509	2.2
188.04680	0.6
189.05423	0.8
189.09119	0.9
191.06953	2.6
191.10677	0.6
192.07712	0.6
193.08554	2.3
195.06554	0.8
200.04575	0.9
201.05460	1.1
203.06932	0.8
205.08589	2.5
206.05713	0.7
207.06465	2.3
207.10088	1.0
209.08055	1.1
210.14961	0.7
217.08563	1.8
218.05667	0.9
219.06424	3.4
221.08022	3.7
233.08038	9.4
234.06743	0.7
235.07370	0.7
235.09592	2.5
239.06969	0.5
249.07523	2.4
261.07455	1.1
262.06488	0.6
263.06934	0.8
263.09293	0.7
264.07849	0.6
265.08447	0.6
277.08432	0.8
279.08603	2.8
293.08035	0.6
305.08112	0.6
309.07431	0.8
311.09064	0.7
323.09000	0.9
329.10172	0.7
353.10098	2.2
355.11771	0.6
357.13132	0.7
373.12756	0.8
383.11377	0.6
385.12766	2.8
401.12143	4.1
403.13516	1.0
409.27136	0.7
415.13818	27.4
416.14444	4.6
417.15479	0.8
433.14746	2.9
536.68500	0.5
595.21344	0.8
643.23273	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.2
52.37108	0.2
53.00299	0.2
53.03937	4.1
54.55744	0.2
55.05499	2.9
57.03425	1.7
61.02896	0.3
64.83077	0.2
67.05483	3.3
69.03414	6.9
69.07051	2.5
71.04960	1.5
73.02910	0.3
79.05469	6.5
81.03395	13.7
81.07033	10.2
83.04961	1.1
83.08613	2.2
83.09013	0.2
85.02885	9.1
85.06525	1.9
91.05450	2.4
92.09085	1.5
93.07029	3.5
95.04945	6.6
95.08579	11.3
97.02862	9.1
97.06501	2.9
97.10149	1.1
99.04433	2.4
99.08076	0.4
105.03368	100.0
105.07006	4.2
106.03695	1.5
107.08558	2.9
109.02854	8.6
109.06487	0.3
109.10114	1.7
110.29193	0.2
111.08098	0.9
117.06975	0.3
119.08546	6.3
121.10146	2.5
123.04395	9.4
123.08028	0.9
123.11658	0.9
127.03891	6.8
133.10083	4.5
135.08101	0.4
135.11650	3.2
135.55240	0.2
137.06009	0.3
137.09618	0.6
137.13222	2.5
145.04941	1.3
145.10054	0.5
147.04317	0.8
151.07581	0.3
159.11684	0.4
161.13217	13.6
161.14542	0.5
163.07506	0.4
165.09091	2.5
166.09328	0.2
179.14265	13.0
184.07332	1.2
191.10643	0.4
197.15260	2.8
215.16379	28.4
231.06523	1.6
249.07510	15.6
249.10123	0.3
254.93085	0.2
267.08572	20.4
436.27048	0.3
452.31180	0.3
510.68970	0.2
525.31128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01857	6.6
55.05265	1.0
55.05507	19.7
57.03430	23.9
57.07056	1.7
59.04985	0.9
61.02921	5.0
67.05142	1.4
67.05491	34.6
69.03405	3.2
69.07056	12.1
71.01341	3.6
71.04974	4.5
71.72762	0.7
71.78780	0.6
73.02887	1.8
74.72581	0.7
77.03867	0.7
79.05476	42.3
81.03394	13.4
81.06599	1.4
81.07042	30.5
81.07526	1.1
83.01331	7.5
83.04964	15.6
83.08605	12.0
85.02886	7.4
85.06519	1.4
86.09668	0.8
91.03938	1.4
91.05466	19.3
93.07023	54.2
94.79461	0.8
95.04948	9.0
95.08586	11.9
97.02861	4.9
97.06507	12.4
97.10142	9.6
99.04424	1.7
99.08056	1.2
105.03368	4.0
105.07012	11.4
107.04956	7.4
107.07858	1.6
107.08567	30.8
109.06498	6.6
109.10151	6.8
111.04427	1.4
111.08093	1.7
117.06979	7.9
119.08574	12.2
121.06487	3.5
121.10129	12.2
123.08067	6.7
123.11708	1.0
125.05966	1.1
125.09597	2.9
127.03918	1.1
129.07011	1.5
130.07729	1.4
131.08527	4.2
133.10129	4.7
135.08002	1.3
135.11670	44.3
136.12012	0.8
137.09608	1.8
143.08546	0.8
145.06416	0.9
145.10095	19.9
147.08026	1.1
147.11667	0.9
149.09630	1.1
151.11192	0.8
153.12694	1.7
155.08553	1.2
159.11601	1.1
163.11163	22.3
173.09589	1.5
181.12206	8.7
191.10719	1.3
191.14450	0.7
209.11653	3.9
255.15848	41.1
265.14240	1.3
283.15344	32.1
445.25900	3.4
463.26770	100.0
464.26910	1.6
514.16602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.8
55.05503	13.0
57.03418	7.4
57.07067	1.8
61.02901	4.9
67.05140	1.9
67.05487	41.6
69.03405	1.9
69.07045	16.7
71.04981	1.9
74.45631	1.0
79.05475	23.5
81.03411	2.4
81.07032	56.3
83.04958	3.0
83.08599	13.1
85.02869	7.0
85.06528	1.4
91.05453	21.9
92.08981	5.9
93.07017	42.8
95.04930	2.6
95.08583	18.7
97.02862	5.3
97.06514	7.7
99.08038	1.6
105.03384	1.9
105.07013	13.0
107.04943	1.4
107.08574	27.6
109.06488	4.7
109.10148	5.6
111.08067	5.5
117.07021	10.2
119.08541	6.9
121.06437	1.5
121.10120	14.2
123.11649	2.3
127.03893	1.3
129.06969	2.2
131.08540	11.4
133.10126	11.2
135.11696	6.0
143.08540	1.7
145.10098	5.9
147.11687	3.0
149.13228	16.4
157.10057	1.9
158.73413	1.3
159.11642	10.0
171.11656	2.1
177.12749	1.9
183.11678	1.5
184.07344	1.3
195.13742	6.6
269.17435	22.9
371.25620	1.4
411.47156	1.4
445.29214	10.5
463.30435	100.0
571.29974	1.4
607.34167	2.1
618.71606	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03937	3.9
55.01865	5.9
55.05500	1.7
57.03444	1.4
57.07052	0.4
65.03916	0.9
67.05487	3.6
69.03401	6.9
69.07050	2.9
70.06560	0.9
70.44029	0.4
71.04942	1.5
73.02885	0.4
77.03867	0.6
79.05044	0.6
79.05473	9.9
81.03396	14.4
81.07028	5.8
83.04353	0.4
83.04929	0.5
83.08611	0.8
84.81571	0.4
85.02879	7.6
85.06536	0.9
91.05457	36.4
92.08914	0.8
93.07006	4.8
94.04145	0.8
95.04942	10.7
95.08588	4.0
97.02866	8.9
97.06516	0.8
97.10120	0.7
99.04437	2.3
102.04672	0.6
103.05445	47.3
105.03370	87.7
105.04519	2.4
105.07004	23.4
107.04936	5.6
107.08574	2.6
108.05717	0.8
109.02854	8.3
109.06487	9.5
109.10136	2.5
111.04410	0.5
111.08096	0.7
111.11662	0.4
112.07616	0.6
115.05422	4.4
115.96084	0.4
117.06982	2.5
118.04143	0.8
119.04918	48.4
119.08554	2.8
119.38013	0.4
121.02837	5.7
121.06501	3.2
121.10094	2.3
122.03622	3.3
123.04408	5.3
123.08051	5.1
124.05235	0.6
125.05902	0.6
127.03888	4.6
128.06166	0.5
129.06952	1.7
130.04102	0.8
131.04900	100.0
132.05611	0.6
133.02824	15.6
133.06467	20.4
133.10106	1.6
135.04419	0.6
135.08028	2.1
135.11649	2.1
136.05061	0.4
137.05948	52.1
139.03816	1.5
141.06979	0.6
142.84518	0.4
143.04964	0.8
143.06033	1.6
144.05653	0.5
145.06453	2.8
146.03485	0.4
146.07251	0.5
147.04387	15.7
147.05438	0.5
147.07999	2.2
149.05980	3.9
149.09610	0.8
149.13197	0.6
150.06726	0.5
151.03893	0.7
151.07515	20.2
153.09076	0.5
156.91602	0.4
157.06445	0.7
159.08022	3.8
160.05190	0.7
161.05943	40.5
162.06726	5.4
163.07501	33.6
165.05426	6.6
167.06982	0.7
172.05151	1.6
173.05963	0.6
173.13258	0.4
175.07494	10.0
177.05472	1.8
177.09100	0.6
179.07018	10.7
179.08498	0.6
181.04950	2.1
187.07509	7.4
189.09036	0.5
190.06134	0.5
191.06966	0.8
191.08577	1.0
193.08566	3.3
194.77370	0.4
199.07532	0.6
203.06895	0.8
205.06822	0.5
205.08563	4.6
207.06406	0.8
209.07993	0.5
215.06989	0.6
217.08514	2.1
218.07207	0.6
219.08125	2.9
219.09926	0.5
229.08527	0.7
231.07986	1.7
235.09601	0.9
236.08244	0.5
247.07434	2.0
249.07480	13.7
251.10580	3.4
257.08014	2.8
259.07306	0.7
263.10641	0.6
267.08527	4.8
274.25778	0.5
275.09122	0.7
276.07864	0.6
279.10004	2.2
283.07834	0.5
291.10062	2.9
296.10077	0.5
301.27338	1.7
302.18756	0.5
308.06418	0.4
309.11194	5.5
311.12784	5.4
323.12558	1.8
329.13773	0.7
341.14008	3.3
359.14944	0.6
397.12503	1.0
541.36438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02986	0.3
53.03942	4.5
55.01859	0.9
55.05496	0.4
55.29433	0.4
57.03422	0.8
61.02910	0.5
65.03932	0.4
67.05476	1.6
69.03130	0.4
69.03422	7.0
69.07036	1.4
71.04965	0.9
74.09698	0.5
77.03905	0.6
79.05466	6.3
81.03402	16.3
81.07043	3.2
81.07501	0.4
83.04951	0.7
85.02476	0.5
85.02901	6.8
85.06524	0.9
90.36812	0.5
91.05444	2.1
92.08701	2.0
92.09326	1.5
93.01786	0.4
93.07008	1.9
94.04172	0.9
95.04956	8.7
95.08580	2.3
97.02881	8.6
97.06490	0.8
99.04430	2.3
103.05432	4.0
105.03375	100.0
105.07013	2.4
106.03719	1.7
107.04960	0.8
107.08576	2.1
108.04469	0.7
109.02857	8.1
109.06482	2.4
109.10140	0.7
111.04420	0.8
111.08076	0.4
115.03926	0.4
115.05439	0.9
117.07013	0.6
119.04937	0.8
119.08584	0.8
121.10111	2.6
122.03609	3.4
122.10554	0.5
123.04401	7.4
125.05981	1.6
125.09701	0.5
127.03869	4.2
128.06139	0.7
129.06976	8.3
131.04904	12.8
131.08492	0.6
133.10117	0.8
135.08038	0.5
135.11671	0.7
137.05960	69.2
138.06310	0.6
143.04907	0.8
143.08592	0.8
144.05669	0.9
145.04936	0.6
145.06441	0.6
145.10112	0.6
147.04419	2.7
149.05988	3.1
151.03932	0.7
151.07454	3.7
153.05463	0.8
157.06471	7.9
158.07188	0.9
159.08043	0.5
160.05212	2.5
161.05957	0.9
163.03987	0.6
163.07472	3.2
165.05482	1.0
167.07028	1.5
172.05112	3.1
174.06735	5.7
175.07497	14.6
177.05513	0.5
177.16342	0.5
179.07013	0.7
185.05916	0.6
187.07506	31.2
189.09061	14.5
191.08528	1.9
199.07513	2.1
201.09131	1.8
202.07832	0.5
203.08539	2.5
205.08508	2.1
211.07416	0.5
217.08556	10.1
219.08052	5.2
219.10208	1.8
220.08757	0.6
227.07085	0.5
231.08104	4.4
231.60657	0.5
233.09572	0.9
235.07616	0.7
235.09593	3.7
247.07462	3.0
248.08252	4.2
249.07457	11.6
251.10791	1.6
255.06276	0.6
259.07370	0.7
261.09042	2.1
263.10620	5.1
264.07886	0.7
265.08527	0.9
267.08560	7.5
270.08813	1.9
271.09653	1.0
276.07782	1.7
277.08557	1.7
279.10132	5.5
280.10559	0.5
283.09833	0.6
287.05411	0.5
291.10098	13.5
293.08151	0.8
296.10431	2.6
306.86230	0.4
308.10406	1.7
309.11090	0.6
311.12744	8.1
313.14352	0.7
323.12677	12.0
325.14301	1.8
329.13788	1.6
341.13779	23.2
419.15128	0.5
446.27576	0.5
459.27753	0.5
510.60422	0.5
589.13879	0.5
634.37518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.7
51.65270	0.4
53.03939	4.3
55.01865	1.2
55.05496	1.1
57.03410	0.9
57.53950	0.4
61.02892	0.7
67.05482	2.0
69.03416	7.6
69.07042	2.2
71.04978	1.0
73.02892	0.5
74.09696	0.4
79.05476	6.5
81.03402	16.8
81.07031	4.2
83.04975	0.8
85.02895	8.9
85.06553	0.9
91.05445	3.1
92.08630	0.6
92.09158	2.2
92.20390	0.5
93.07032	3.3
94.04193	0.5
95.04951	9.7
95.08600	3.5
97.02876	11.5
97.06533	0.7
99.04419	2.1
103.03963	0.5
103.05449	4.8
105.03375	100.0
105.07021	3.1
106.07568	0.5
107.04936	1.0
107.08580	2.2
109.02875	8.0
109.06513	2.0
109.10143	1.0
111.04413	0.8
115.05441	1.0
117.06990	1.0
119.04929	0.7
119.08558	2.2
121.06556	0.5
121.10149	2.4
122.03625	3.7
123.04420	9.3
125.05960	2.0
127.03877	4.9
128.06203	0.9
129.06976	8.9
131.04903	11.5
131.08536	0.9
133.10094	2.1
135.08116	0.7
135.11707	0.4
137.05959	70.4
140.45772	0.5
141.06932	0.5
143.04919	1.1
144.05664	1.1
145.04924	1.0
145.06480	1.8
145.10095	0.6
146.03679	0.5
147.04431	2.5
147.08105	0.7
149.05972	2.8
151.03925	0.9
151.07541	3.5
153.05475	1.1
157.06487	8.3
158.07208	1.2
159.04353	0.6
159.08067	0.9
159.11748	0.8
160.05174	3.1
161.05937	2.2
163.07497	4.1
165.05522	0.9
165.09180	1.1
167.07053	1.1
171.08018	0.6
172.05165	4.3
174.06738	5.6
175.07516	15.5
177.05417	1.0
177.09167	0.8
181.04871	0.9
184.07278	0.7
187.07516	33.3
189.09077	16.3
191.07007	0.7
191.08484	1.6
199.07495	1.0
201.09015	1.8
203.08588	4.5
205.08664	2.1
211.07361	0.8
217.08553	9.1
219.08064	4.2
219.10036	1.6
220.08879	0.9
227.07137	0.5
231.08110	3.7
233.09683	0.6
235.09503	3.9
247.07520	3.3
248.08304	4.5
249.07436	11.9
251.10699	3.1
259.07343	1.0
260.08243	0.8
261.09116	1.2
263.10635	4.6
264.07867	1.1
265.08679	0.9
267.08572	8.6
270.08841	2.0
271.09622	2.4
276.07718	2.2
277.08649	2.0
279.10126	7.1
283.09647	0.9
291.10080	11.2
296.10486	2.4
308.10406	1.0
309.11252	0.7
311.12695	9.1
313.14435	0.6
323.12738	11.5
325.14233	2.0
329.13837	2.1
341.13788	20.4
345.05460	0.6
359.14944	0.7
367.82037	0.5
524.99170	0.5
553.32867	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61124	1.3
58.93623	1.4
67.05482	3.0
79.05462	1.6
80.83006	1.8
81.07035	2.6
83.05015	1.6
91.05464	2.0
91.80570	1.3
92.08877	2.3
93.07024	2.4
95.08591	1.6
107.08578	2.1
109.10161	1.7
111.10624	1.5
111.70508	1.5
124.99992	1.8
184.07323	2.7
395.88480	1.6
659.22321	3.0
659.39075	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	659.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.3
53.03939	0.8
55.01863	0.5
55.05501	2.0
55.56433	0.2
57.03431	1.8
57.07067	3.6
61.02908	0.2
67.05491	6.6
69.03413	2.0
69.07051	2.8
71.04962	0.5
75.84631	0.2
79.05476	1.9
79.73051	0.2
81.03404	2.3
81.06596	0.4
81.07035	6.9
83.04961	1.2
83.08592	1.0
85.02876	1.7
85.06525	20.2
88.70485	0.2
91.05463	3.5
92.08986	1.0
93.07015	3.7
95.04932	1.3
95.08578	4.5
97.02871	1.2
97.06486	1.0
97.10131	0.8
99.04411	0.4
99.08067	0.3
103.05437	0.4
105.03383	3.7
105.07014	2.4
106.07301	0.3
107.04900	0.8
107.08579	3.2
108.08932	0.2
109.02856	1.2
109.06503	0.3
109.10138	7.1
111.04443	0.3
111.08055	0.5
115.05532	0.3
119.04903	2.9
119.08552	3.6
121.06468	0.9
121.10113	1.7
122.06023	0.2
122.07260	0.9
123.04397	0.8
123.08057	0.5
123.11665	1.9
124.07523	0.4
125.09603	1.6
127.03918	0.9
129.06950	0.5
131.04906	0.3
131.08623	0.3
132.08932	0.2
133.10120	1.0
135.07974	0.3
135.11626	1.4
136.07512	0.3
137.05946	2.5
137.09590	11.8
137.13226	1.0
139.11148	0.2
143.08565	0.4
145.02745	0.3
145.10123	0.9
147.04396	7.1
147.11656	1.0
149.06009	0.3
149.09589	1.5
149.13225	1.0
151.07538	1.1
153.05386	0.2
153.12715	0.2
157.10104	0.2
159.11646	0.5
161.05934	0.9
161.13242	0.4
163.03867	0.2
163.07544	0.2
163.14835	0.4
164.07829	0.2
165.09076	100.0
166.09531	0.2
167.06989	0.8
171.13751	0.4
172.03925	2.0
175.07443	0.3
177.05434	0.4
177.08987	1.4
177.12628	0.2
179.10649	1.0
181.04932	0.5
181.08533	0.4
184.07324	0.3
189.09077	0.4
189.12721	0.4
190.04904	0.4
191.10545	0.3
193.08563	0.5
193.12238	0.4
198.09120	1.0
203.10582	0.4
204.06494	1.9
205.12248	2.0
209.08090	0.3
212.10689	0.3
215.11731	1.1
243.11247	4.9
249.07401	0.4
253.08478	0.4
255.11198	0.2
279.26727	0.4
285.12292	2.7
287.05414	2.9
291.26657	1.7
297.27820	1.0
303.13379	2.0
304.13428	0.2
309.11188	0.5
309.27853	0.9
331.14941	0.3
332.15738	0.4
359.14966	0.4
359.29709	0.3
425.33948	1.0
443.35223	8.3
461.36118	1.2
479.37341	0.5
599.24268	0.3
607.62244	0.2
641.26044	0.4
659.25360	2.0
660.26886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22969	0.5
52.37556	0.6
57.07074	1.5
58.08596	0.6
67.05492	1.3
67.51202	0.6
69.94401	0.7
70.06582	3.9
79.05476	0.8
81.07059	1.4
88.07630	3.4
91.05471	1.1
92.08904	2.3
93.07003	1.0
95.04977	0.8
95.08596	1.6
102.09190	1.6
107.08602	0.8
109.10181	0.9
112.84756	0.7
119.77007	0.6
121.10135	0.6
128.06247	0.7
133.10194	0.7
145.10129	0.9
149.02319	8.5
150.02730	1.3
179.69795	0.7
193.04910	11.4
237.07704	1.2
256.26291	5.6
257.26685	2.9
257.32578	0.8
385.09265	2.8
386.09549	1.3
429.11911	3.5
430.12210	1.0
448.20572	0.8
500.76611	0.7
544.93903	0.7
658.35541	7.0
659.38989	100.0
660.40082	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61826	1.6
55.05507	2.9
67.05497	4.2
69.07043	2.1
81.03423	2.3
81.07035	3.6
89.06068	2.1
92.09135	10.8
93.07018	4.1
95.08585	4.8
105.07014	3.8
108.13930	2.1
108.96374	2.5
133.10080	3.2
147.92290	2.4
170.16757	2.5
241.57440	2.3
306.68848	2.2
372.14014	2.7
659.35986	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	659.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81367	0.6
55.05500	1.1
57.03390	0.7
63.01835	0.6
63.19008	0.6
67.05490	3.3
69.07055	1.2
72.59754	0.6
79.05492	1.7
81.03409	1.2
81.07040	1.7
86.93589	0.7
90.27833	0.7
91.05460	0.7
93.07008	1.7
95.04953	0.8
95.08610	0.7
105.03386	0.8
105.07021	1.0
107.08602	0.8
109.10138	0.8
119.08533	1.3
121.06483	0.8
121.10099	0.6
133.10152	0.8
196.47398	0.8
338.52472	0.7
413.28674	1.0
659.35919	100.0
660.36157	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2344
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
55.05496	1.2
65.34400	1.3
67.05509	2.0
81.07037	2.8
86.09695	1.4
87.69824	1.1
88.79527	1.3
92.09132	8.0
93.07027	2.1
96.84076	1.2
105.06974	1.1
109.10173	2.1
133.10112	1.6
134.92325	1.2
184.07300	3.1
208.25107	1.2
218.85097	1.2
399.14349	2.3
400.15274	5.8
401.15463	1.9
414.16702	2.6
421.13190	2.1
422.13605	5.3
423.14612	2.7
424.15234	1.5
428.17731	1.5
435.14230	2.0
436.15298	6.6
437.16003	14.7
438.16986	2.4
451.17661	2.8
452.18396	2.5
463.14377	1.3
464.14587	2.0
465.15463	2.4
467.17178	1.9
469.14627	2.3
478.16226	2.0
479.17075	2.7
480.17639	7.9
483.16446	2.7
484.17065	2.4
493.18872	11.6
495.16458	6.0
498.15222	4.9
507.16046	2.0
508.17093	5.4
509.18283	1.9
511.19507	2.0
512.16718	8.4
521.18146	12.7
522.15491	2.8
539.19257	1.7
553.20581	12.4
571.21765	2.3
581.20306	44.7
599.21191	22.3
613.22931	12.9
631.23865	2.5
641.22375	100.0
642.21912	1.7
659.23273	22.8
659.39178	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	658.526
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23436	4.5
54.92806	4.1
55.01860	7.2
55.05503	38.4
57.03424	29.3
57.07066	58.9
65.71354	4.3
67.05493	100.0
69.07050	31.2
71.08610	43.3
79.05478	37.7
81.07044	84.4
83.04952	4.7
83.08594	23.5
85.10162	23.6
89.06022	11.2
91.05447	31.6
93.07024	41.9
93.85907	4.5
95.04956	9.6
95.08568	51.8
97.06527	5.7
97.10157	24.7
105.07024	26.9
106.73054	5.6
107.04936	6.4
107.08580	31.1
109.06427	4.9
109.10138	57.4
117.07005	7.2
119.08561	30.1
121.10101	10.3
123.11714	7.1
125.09652	5.7
125.13338	5.1
128.16936	4.9
131.08514	6.9
133.10104	28.2
145.10126	7.9
147.08012	9.0
159.11617	9.7
161.42130	4.8
173.11694	7.8
229.14299	37.4
269.17343	10.8
275.20038	11.1
289.17874	6.3
313.27255	80.9
349.23761	7.7
353.14029	5.5
367.24396	8.5
467.37222	23.2
507.40482	46.7
587.46423	10.5
605.47351	8.2
659.24689	57.7
681.38879	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	658.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47977	1.7
53.03947	2.1
54.81712	1.8
55.01852	2.7
55.05500	14.3
56.62291	1.8
57.03425	12.1
59.56680	1.7
67.05492	47.5
69.07045	16.8
71.04993	2.1
79.05474	56.0
81.03419	9.9
81.07039	36.2
82.41487	2.1
83.04966	13.2
85.06478	2.6
91.05463	40.9
92.08672	2.3
92.09208	2.9
93.07025	62.4
95.04954	14.2
95.08584	12.2
97.06487	4.8
97.10164	7.7
97.72585	1.8
99.08094	2.6
105.07033	27.5
107.04972	3.6
107.08597	28.7
109.06503	4.1
109.10139	4.0
111.08142	2.3
117.06994	5.0
119.08560	19.0
121.06485	3.4
121.10154	3.8
129.07007	10.5
133.10130	7.9
135.11671	22.8
143.08542	4.9
145.10159	10.2
147.11638	17.9
161.09595	2.2
161.13281	2.7
163.11130	2.3
171.11632	15.2
181.12251	3.1
189.12833	3.7
193.08574	3.1
207.13730	4.6
255.15836	24.5
281.17517	14.1
461.28885	100.0
536.93115	2.3
586.22314	2.7
659.35925	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	658.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76553	2.0
53.03922	2.1
55.01859	3.4
55.05503	24.9
55.60615	1.8
56.61482	1.8
57.03409	9.5
61.02905	11.2
65.03934	1.7
67.05493	32.2
68.37382	2.3
69.03400	8.6
69.07050	18.4
71.04956	3.5
73.02878	2.6
77.13595	2.0
79.05474	37.1
81.03387	12.0
81.07037	41.8
83.04962	5.0
83.08604	17.3
85.02882	12.6
85.06516	2.8
86.09690	14.1
87.04406	2.1
90.01754	1.8
91.03886	3.2
91.05448	40.7
93.07020	32.7
95.04935	17.2
95.08587	28.2
97.02859	11.2
97.06522	10.3
97.10135	9.5
97.86189	2.1
99.04468	2.4
103.05456	2.8
105.03371	31.2
105.07001	38.4
107.04945	8.9
107.08572	19.9
109.06467	4.7
109.10130	15.6
111.08079	2.3
115.05383	2.7
117.03423	2.0
117.07001	26.3
118.85253	2.2
119.04910	4.4
119.08539	23.1
121.06502	3.8
121.10107	14.4
123.07992	3.0
123.11704	4.0
124.99994	3.7
125.09588	4.4
128.06183	3.6
129.06966	25.6
131.08534	34.4
133.06413	2.9
133.10132	17.1
135.04405	2.2
135.08043	3.2
135.11635	3.8
137.09595	3.1
139.07495	2.6
139.11151	2.4
141.06966	13.0
142.07750	2.5
143.08534	25.0
145.06505	10.1
145.10110	19.5
147.04387	2.9
147.08051	3.7
147.11658	10.6
149.09608	3.1
151.07512	3.4
155.08588	17.5
157.10078	19.4
159.08041	3.6
159.11662	9.0
161.09563	3.1
163.03879	10.9
165.09090	13.9
167.08478	8.9
169.10124	15.8
171.11687	11.9
173.13310	3.4
175.11235	3.3
179.08405	3.0
181.10146	5.0
183.11633	8.5
184.07335	24.5
185.13155	3.4
187.11115	3.3
195.11702	3.3
197.13264	8.2
207.11670	2.9
207.50301	2.1
209.13214	8.4
211.14729	3.4
213.12624	2.3
215.14342	2.4
221.13126	3.0
223.14856	2.6
231.14063	3.0
235.14729	4.2
239.14098	3.8
253.15657	2.2
264.29538	2.3
333.22012	3.4
351.23160	15.1
369.24197	15.9
387.25122	10.5
443.27771	100.0
461.28955	88.4
623.33698	5.0
657.40851	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	658.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
55.88311	0.9
56.96554	20.6
58.77876	1.1
67.05484	4.4
69.03394	1.7
69.07037	1.8
74.99692	1.2
76.11155	1.1
79.05466	2.2
79.18654	1.3
81.03389	1.7
81.07020	6.3
84.96011	7.4
91.05464	2.4
92.08916	1.2
92.57641	1.1
93.07022	4.5
93.54677	1.1
95.04934	1.6
95.08582	6.5
97.06478	2.1
97.10168	1.2
98.97564	31.2
105.03378	9.4
105.07008	5.8
107.08563	4.7
109.10136	1.8
111.08056	1.2
116.98598	36.9
117.07005	1.3
118.49625	1.3
121.10100	1.2
124.06791	1.0
124.99163	1.2
128.00037	1.0
129.60001	1.0
134.99631	28.7
143.00124	4.6
147.04367	1.3
151.07613	1.2
153.00677	6.6
161.01164	4.4
178.26718	1.2
199.02736	1.4
211.02734	2.8
249.07700	2.1
263.05991	1.3
267.08884	1.5
275.09363	2.4
279.08997	2.6
293.10513	7.0
309.13934	1.6
311.11624	5.6
327.14996	1.4
329.16379	1.6
391.21335	1.8
447.25674	9.0
465.26624	21.3
467.24426	1.5
483.27856	19.0
485.25888	1.5
491.24341	2.3
499.27069	1.4
501.28821	38.2
509.25607	7.9
525.28552	5.9
527.26514	23.3
533.27246	1.8
543.29572	7.7
545.27789	31.3
569.27740	17.8
587.28796	100.0
605.29773	18.6
610.30353	4.6
617.29529	11.5
635.31079	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	657.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02978	1.0
67.05491	1.8
79.05443	1.1
79.24742	0.9
81.07025	1.6
91.05480	1.4
93.07043	2.5
93.33164	1.2
95.08598	1.6
107.05937	1.0
107.08556	1.1
127.12478	1.0
148.21974	0.9
152.00499	1.2
161.13280	1.6
169.65590	1.1
191.96170	1.1
195.10696	1.1
220.27161	1.2
270.86270	1.1
287.07355	5.8
326.08426	1.0
521.14435	1.1
541.29303	4.4
617.30750	1.8
657.34387	100.0
658.34387	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	657.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.5
57.07054	2.4
67.05491	5.1
69.07056	2.5
81.07029	11.3
83.08574	3.0
84.91275	1.8
89.49680	2.1
91.05454	2.8
93.07038	3.6
95.08577	7.9
96.10359	2.0
107.08596	2.6
109.10144	3.7
121.10104	3.6
159.11700	2.1
220.28564	2.1
222.11668	2.2
223.12163	2.2
324.73343	2.5
338.15982	2.9
352.17798	3.7
363.16010	3.7
364.17151	3.2
377.17596	3.4
379.19031	2.9
391.19342	4.9
393.21082	3.2
400.62198	2.5
405.20956	4.6
408.19263	7.9
409.19971	10.9
421.20081	8.0
422.20908	3.1
423.21799	22.7
433.20026	3.2
435.21732	11.2
436.21863	8.6
437.22955	2.5
446.21259	3.2
449.23654	2.7
451.21042	9.1
454.19775	3.6
461.23227	11.3
463.20767	2.9
464.21829	4.6
465.22885	6.0
467.24179	3.4
468.25189	4.0
477.22729	4.3
478.23599	2.9
479.24417	3.8
493.21420	6.8
494.26263	3.5
495.23572	14.4
508.24738	19.6
509.25372	19.0
510.25726	10.0
511.26559	13.8
523.22937	8.5
537.25000	29.8
538.25073	4.4
553.27753	4.5
565.24341	3.1
566.24384	2.7
570.28162	3.0
581.27771	19.6
583.25562	4.7
597.26813	38.3
598.27533	4.3
613.30078	77.5
625.26477	100.0
657.28265	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	657.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	3.5
69.07061	3.0
72.67995	2.6
72.85871	2.4
77.94720	2.2
81.07040	5.3
91.05458	2.5
92.08618	3.6
92.09166	7.5
93.07009	3.0
95.08566	5.2
97.44798	2.1
107.08604	2.5
118.92286	2.0
121.80683	2.1
152.50905	2.5
170.09489	2.2
175.33984	3.1
180.32504	2.2
233.10776	2.2
257.11069	2.5
362.15329	3.2
365.17801	3.4
377.17816	4.2
378.17868	3.7
379.19138	9.0
381.20749	2.6
389.18051	2.9
393.20914	4.3
394.21765	3.1
405.20706	5.1
407.22681	3.5
408.19113	4.3
409.20184	5.6
419.18060	3.8
421.20126	12.4
422.20654	3.7
423.21683	26.7
435.21573	12.7
436.22519	2.6
437.23389	3.9
446.13596	2.6
446.20694	3.7
449.23529	4.0
451.20862	3.6
461.23190	4.9
463.21194	4.2
467.23999	5.5
468.25183	2.5
481.22195	3.0
493.22070	3.2
494.25873	3.3
495.23651	23.2
496.24359	4.0
508.24677	18.0
509.25192	15.4
510.25708	14.0
511.27118	17.3
521.25153	2.7
523.23108	10.6
537.24939	20.5
538.24963	5.5
553.27704	4.6
570.28076	3.7
581.27856	16.8
583.25140	4.0
597.27069	41.3
598.27191	4.3
613.30176	62.8
625.26367	100.0
657.28723	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	657.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74878	0.8
55.05502	0.9
55.26628	0.8
58.65387	1.0
59.81213	0.8
60.83423	0.8
67.05500	2.2
81.07040	1.7
85.69064	0.9
91.05495	1.3
92.08998	9.8
92.58562	0.9
93.07033	1.2
95.08603	1.6
95.84866	0.9
105.07024	1.1
120.72933	0.9
131.08582	1.3
147.69431	1.1
156.30861	1.0
191.03062	1.2
285.19321	1.1
427.17908	1.7
428.18408	1.5
438.13443	1.2
439.13724	3.3
441.15671	4.3
442.16223	1.1
451.14066	1.8
452.14746	1.6
454.16342	5.3
455.17206	6.3
465.16025	1.7
467.13702	5.1
467.69302	1.2
481.15070	4.5
482.15768	4.2
483.16483	5.6
483.22870	1.3
495.12396	1.4
510.15482	5.0
511.16263	6.6
513.17444	1.3
523.15979	10.8
527.15369	4.3
538.14648	1.2
541.17169	1.5
541.88684	1.0
542.14856	1.5
569.20056	4.3
597.19440	7.5
615.20911	5.7
625.19226	9.5
629.22302	4.4
657.21820	100.0
657.37500	8.0
658.22186	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01863	0.5
55.05489	2.2
57.03430	0.7
61.02913	0.4
63.53682	0.4
64.33888	0.4
66.57307	0.4
67.05488	3.4
69.03404	3.0
69.07049	2.3
71.04976	0.6
78.41369	0.3
79.01579	1.7
79.05466	3.2
81.03404	5.7
81.07030	4.2
82.03719	0.4
83.04964	1.6
83.08600	0.6
85.02886	2.4
85.06532	0.6
91.05473	3.1
92.08924	0.6
93.07018	3.8
95.01082	1.7
95.04953	4.5
95.08571	3.1
97.02872	2.5
97.10149	0.4
99.04436	0.5
105.03369	20.4
105.04469	0.6
105.07002	3.7
106.03707	0.9
107.04913	0.8
107.08578	2.8
109.02851	2.4
109.06535	0.8
109.10150	1.9
111.04492	0.5
111.08109	0.6
117.06950	0.4
119.04919	0.5
119.08564	3.0
121.06473	0.4
121.10144	1.6
123.04369	0.8
123.08111	0.4
127.03898	0.7
131.08539	1.6
133.10123	2.1
135.08028	0.6
135.11676	0.4
137.09573	0.5
141.05209	1.9
145.10085	0.7
147.04405	1.8
147.11722	1.9
149.09604	0.5
151.07562	0.4
157.10159	0.7
159.11700	0.6
163.03911	0.7
163.23041	0.4
165.09067	3.6
169.04652	1.6
175.11227	0.6
193.12250	0.6
200.04378	0.5
249.07664	0.6
261.07339	2.0
267.08560	0.6
267.15903	1.5
271.05551	0.4
287.05441	1.7
289.06760	5.2
305.06308	2.1
307.07773	4.2
349.09232	0.5
363.10529	2.6
391.09256	0.5
407.13068	0.6
417.11847	0.5
435.12515	2.8
451.11978	1.9
459.26550	0.5
467.11615	8.2
535.17737	32.3
536.17145	0.5
602.13763	0.4
624.89594	0.5
657.21338	100.0
658.22083	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	657.2027
Annotation	Prunose II
Peak:m/z	Relative Intensity
53.03945	0.1
55.01862	0.1
55.05507	0.5
57.03448	0.1
61.48498	0.1
65.03920	1.2
67.05487	0.6
68.79074	0.1
69.03428	0.8
69.07053	0.5
71.01341	0.1
71.04973	0.1
77.84473	0.1
79.05476	0.4
81.03405	1.0
81.07041	1.2
83.04974	0.2
83.08606	0.2
85.02890	0.5
90.58963	0.1
91.04875	0.2
91.05463	7.5
93.07027	0.8
95.04951	0.5
95.08583	0.8
97.02871	8.1
97.06527	0.2
99.04420	0.2
105.03365	1.2
105.07006	0.8
106.99969	0.1
107.04947	0.2
107.08589	1.0
109.02869	1.4
109.06512	0.2
109.10149	0.4
110.50851	0.1
111.04431	0.2
113.58170	0.1
115.05385	0.1
117.06979	0.1
119.04921	19.7
119.08561	0.8
121.06437	0.1
121.10118	0.5
123.04427	0.2
123.08018	0.1
123.11652	0.2
127.03886	1.0
131.04980	0.1
131.08554	0.1
133.06482	0.1
133.10101	0.4
135.04337	0.1
135.08035	0.5
135.11736	0.2
137.05942	0.1
137.09561	0.5
137.13223	0.1
139.03905	0.8
145.02856	0.1
145.10121	0.2
147.04388	100.0
148.04732	0.5
149.13242	0.2
151.07504	0.2
151.11140	0.1
159.07889	0.1
159.11641	0.2
161.05875	0.1
161.09587	0.1
163.31667	0.1
165.05460	0.4
165.09096	0.8
167.06981	0.4
167.10669	0.1
169.04993	0.1
187.05849	0.1
218.24469	0.1
267.08517	0.1
296.69000	0.1
351.10648	3.9
429.53152	0.1
480.78082	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	657.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.1
55.01862	0.1
55.05507	0.5
57.03448	0.1
61.48498	0.1
65.03920	1.2
67.05487	0.6
68.79074	0.1
69.03428	0.8
69.07053	0.5
71.01341	0.1
71.04973	0.1
77.84473	0.1
79.05476	0.4
81.03405	1.0
81.07041	1.2
83.04974	0.2
83.08606	0.2
85.02890	0.5
90.58963	0.1
91.04875	0.2
91.05463	7.5
93.07027	0.8
95.04951	0.5
95.08583	0.8
97.02871	8.1
97.06527	0.2
99.04420	0.2
105.03365	1.2
105.07006	0.8
106.99969	0.1
107.04947	0.2
107.08589	1.0
109.02869	1.4
109.06512	0.2
109.10149	0.4
110.50851	0.1
111.04431	0.2
113.58170	0.1
115.05385	0.1
117.06979	0.1
119.04921	19.7
119.08561	0.8
121.06437	0.1
121.10118	0.5
123.04427	0.2
123.08018	0.1
123.11652	0.2
127.03886	1.0
131.04980	0.1
131.08554	0.1
133.06482	0.1
133.10101	0.4
135.04337	0.1
135.08035	0.5
135.11736	0.2
137.05942	0.1
137.09561	0.5
137.13223	0.1
139.03905	0.8
145.02856	0.1
145.10121	0.2
147.04388	100.0
148.04732	0.5
149.13242	0.2
151.07504	0.2
151.11140	0.1
159.07889	0.1
159.11641	0.2
161.05875	0.1
161.09587	0.1
163.31667	0.1
165.05460	0.4
165.09096	0.8
167.06981	0.4
167.10669	0.1
169.04993	0.1
187.05849	0.1
218.24469	0.1
267.08517	0.1
296.69000	0.1
351.10648	3.9
429.53152	0.1
480.78082	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	657.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01857	0.2
55.05497	0.5
57.03426	0.5
59.06940	0.1
59.95144	0.1
60.11784	0.1
65.03920	0.7
67.01849	4.3
67.05509	0.8
67.83973	0.1
69.03409	1.6
69.07035	0.4
71.04971	0.8
71.22060	0.1
79.05481	1.0
80.05774	0.1
81.03394	5.0
81.07037	1.0
83.04978	0.2
83.08587	0.2
85.02877	1.5
85.06497	0.2
88.63824	0.1
91.05456	7.9
92.08742	0.2
92.09270	0.2
93.07010	0.9
95.04940	0.6
95.08567	0.5
97.02868	2.0
97.06522	0.1
97.10104	0.2
99.03924	0.1
99.04445	2.0
105.03364	2.6
105.06995	0.9
106.03696	0.2
107.04897	0.2
107.08554	0.5
109.02855	5.7
109.06490	0.2
109.10129	0.6
111.04399	0.2
111.08053	0.2
117.06985	0.1
119.04913	22.7
119.08551	0.9
120.08981	0.1
121.06470	0.2
121.10085	0.3
123.04400	0.4
123.08015	0.1
123.11669	0.1
125.02331	0.1
127.03883	11.5
128.04269	0.1
129.06982	0.1
131.08591	0.4
133.06503	0.1
133.10083	0.5
137.05920	0.2
137.09557	0.6
139.03914	0.1
145.06464	0.1
145.10052	0.2
147.04379	100.0
147.11659	0.4
148.04713	0.2
151.07567	0.1
151.11165	0.1
157.06491	0.1
157.10150	0.2
161.09575	0.1
163.03839	0.1
165.05357	0.1
165.09094	0.4
169.04929	2.0
175.11169	0.1
181.04982	0.2
187.06026	0.1
193.12189	0.5
211.13141	0.2
249.07504	0.3
255.06465	0.9
267.08517	0.4
273.07501	10.3
285.16998	0.1
393.11639	2.1
418.99423	0.1
477.27942	0.2
495.28992	0.2
639.32855	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
53.20967	0.5
55.01865	6.3
55.05504	39.5
56.05820	0.6
57.03434	4.8
59.04974	1.2
61.02903	3.6
65.03917	1.2
67.05138	1.2
67.05489	30.9
69.03413	5.9
69.07055	10.1
71.04995	1.1
73.02898	1.2
73.29237	0.5
79.05473	30.7
81.03400	4.4
81.07039	27.0
81.07520	1.0
83.04955	3.0
83.08602	20.2
85.02888	6.1
85.06564	2.3
88.55721	0.6
89.05992	0.7
91.03918	1.3
91.05463	29.6
91.13010	0.6
92.08887	4.4
92.46040	0.7
93.03315	0.7
93.07018	17.4
95.04935	5.8
95.08577	10.9
97.02861	2.6
97.06492	1.6
97.09513	1.3
97.10146	36.8
103.05453	17.4
105.03365	5.7
105.04482	0.9
105.07008	26.3
107.04931	3.0
107.08567	19.0
109.02937	0.7
109.06502	3.7
109.10139	6.5
111.08073	1.3
115.05424	8.7
116.06196	0.7
117.06997	41.9
119.04900	3.2
119.08563	15.2
121.06470	4.3
121.10154	5.9
123.08040	1.3
125.09609	32.2
128.06189	2.6
129.06981	20.3
131.04895	3.7
131.08545	28.6
133.06456	9.8
133.10083	5.7
135.08012	9.2
135.11690	1.1
141.06969	9.0
143.04878	0.8
143.08546	12.5
143.10628	0.7
145.06458	11.0
145.10123	11.6
147.04407	4.9
147.07994	4.6
147.11606	1.1
149.09590	4.2
153.07010	3.0
153.09073	3.4
154.07788	0.9
155.08534	12.8
156.09372	1.2
157.06439	4.6
157.10127	5.9
159.08015	6.7
159.11681	3.0
161.13326	0.8
165.06979	0.9
165.09062	1.1
167.07234	0.8
167.08501	5.1
169.06473	0.7
169.10089	9.7
171.08023	4.3
171.10226	1.3
171.11659	6.5
173.09575	2.4
173.13222	1.5
175.07404	1.0
175.11131	0.9
179.08545	1.4
181.10043	3.5
182.10886	1.1
183.08148	0.9
183.11684	2.9
185.09657	1.5
185.13248	3.4
187.11244	0.9
187.14806	9.8
189.11172	13.4
189.12657	1.6
193.10080	1.3
195.11664	4.7
197.09518	1.1
197.13242	10.7
199.11113	1.4
199.14969	1.0
201.12958	0.8
205.09982	0.9
207.11662	1.3
209.09561	1.2
209.13362	2.1
211.11295	0.9
211.14851	0.9
213.12753	3.5
215.14272	32.1
221.13191	1.1
223.11095	2.4
223.14647	0.7
227.12642	16.2
233.15390	1.5
235.14685	0.9
237.12697	1.2
239.14153	0.8
241.12260	1.6
241.15732	1.3
245.13496	0.8
257.15436	1.2
269.15314	1.3
271.16876	1.4
339.23087	3.3
349.21552	6.1
367.22580	13.5
385.23749	6.9
403.24719	1.6
441.26288	47.4
442.26743	0.8
459.27304	100.0
460.27441	1.0
477.28458	12.1
573.93597	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69240	0.6
50.95494	0.6
52.78206	0.5
53.00291	0.6
53.03925	5.3
55.01865	1.5
55.05502	12.9
55.09282	0.6
56.57890	0.6
57.03419	3.8
57.07053	3.6
59.01527	0.6
59.04988	0.9
61.02910	0.8
67.05495	20.1
69.03413	13.2
69.07058	17.4
71.04984	5.8
71.08616	1.1
73.02890	0.9
74.68387	0.8
77.22101	0.7
79.05473	11.4
81.03397	22.6
81.07041	27.7
83.04970	13.4
83.08604	9.4
85.02888	14.2
85.06518	5.0
86.09690	1.2
91.05459	6.6
92.09087	1.1
93.07017	13.8
95.04944	10.9
95.08586	38.1
97.02861	11.0
97.06525	6.1
97.10148	5.0
99.04426	3.5
99.08070	4.5
99.27788	0.8
105.03375	94.7
105.06359	1.2
105.07011	17.9
107.04935	0.8
107.08577	30.7
109.02842	7.5
109.06497	12.0
109.10142	97.3
110.10493	1.2
111.04361	0.9
111.08075	5.7
113.09631	2.8
117.06982	1.1
119.04959	1.7
119.08566	29.4
121.06543	1.3
121.10131	14.9
122.10486	0.8
123.04402	11.1
123.08041	14.3
123.11687	10.3
125.05965	1.1
125.09606	4.0
127.03911	7.8
129.06961	1.1
131.04959	0.9
131.08513	4.3
133.10109	32.9
135.08011	1.9
135.11670	77.0
137.05959	1.0
137.09583	20.5
137.13239	1.2
139.11154	1.7
142.07695	0.9
143.08536	1.5
143.33804	0.8
145.02846	1.8
145.04977	1.0
145.10083	4.9
147.04385	7.8
147.11671	5.1
149.13258	7.1
151.11142	8.3
151.14764	13.0
153.12718	1.2
157.10085	1.9
159.11617	1.2
161.09602	4.8
163.03941	1.4
163.07501	1.0
163.11157	3.5
165.09071	1.9
165.12697	1.1
165.16330	3.7
171.11732	0.8
173.13243	0.9
175.11177	1.3
175.14798	32.7
175.16331	1.3
177.01826	1.4
177.05455	2.9
179.06956	1.0
184.07413	0.9
185.13194	1.1
187.14833	0.9
189.09210	1.1
193.08545	1.3
193.12209	1.7
193.15857	34.9
194.09042	0.9
200.20142	0.7
207.96025	0.8
211.16902	100.0
249.07553	14.6
267.08551	17.0
351.14285	1.5
369.14572	0.9
447.20590	0.8
500.75491	0.9
655.38477	0.9
687.55438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.2
55.01845	1.8
55.05500	9.7
57.03427	2.8
57.07071	1.3
59.04998	1.2
61.02904	1.4
64.34019	1.2
67.05494	22.0
69.03111	1.4
69.03417	18.7
69.07054	13.6
71.04970	9.0
73.02937	1.6
79.05466	15.9
81.03394	24.6
81.07037	29.4
83.04955	13.0
83.08598	11.6
83.38407	1.2
85.02894	18.6
85.06524	4.6
91.05441	13.7
92.09100	2.8
92.63632	1.3
93.07025	20.8
95.04952	14.6
95.08587	35.6
97.02895	11.9
97.06511	2.6
97.10155	2.5
99.04421	4.9
99.08053	1.2
103.83922	1.1
105.03373	100.0
105.07013	24.3
106.07356	1.2
107.04930	6.7
107.08578	28.9
109.02869	11.2
109.03513	1.3
109.06495	11.5
109.10142	86.6
111.04450	1.4
111.08072	5.8
113.09616	1.8
117.06963	2.1
119.04932	1.7
119.08565	35.4
121.06481	2.8
121.10104	19.4
123.04394	10.6
123.08039	11.1
123.11694	9.7
123.69764	1.1
125.09624	4.1
127.03886	8.4
129.06937	2.2
131.08562	6.6
133.10121	36.8
135.08022	2.5
135.11674	69.3
135.39684	1.1
137.05954	1.6
137.09604	16.2
139.07591	1.8
139.11140	2.3
145.04909	1.5
145.10118	7.6
146.36078	1.2
147.04373	7.9
147.08026	2.1
147.11684	8.1
149.05902	1.5
149.09613	2.6
149.13252	7.2
151.07487	1.6
151.11139	11.3
151.14790	10.3
157.09979	3.4
159.07939	1.5
159.11607	2.7
163.03793	2.6
163.11194	2.6
165.09074	2.6
165.12807	1.6
165.16353	2.3
167.14180	1.2
173.09686	1.4
175.11176	5.0
175.14787	31.0
177.05367	2.1
178.66740	1.4
179.06946	2.0
184.07259	1.3
185.13237	1.3
187.14738	1.6
191.14291	1.5
193.12166	2.9
193.15845	32.8
211.13419	4.8
211.16898	82.3
249.07544	14.7
267.08612	19.1
298.51764	1.2
453.33588	1.7
524.28583	1.3
532.95453	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.3
54.10838	0.5
55.05507	8.1
55.77862	0.5
57.03173	0.8
57.03430	9.2
57.07069	75.8
61.02917	17.4
67.05494	17.2
69.07054	12.1
71.04970	0.7
71.08616	56.5
73.02889	4.1
75.04451	1.7
78.17771	0.7
79.05462	1.0
81.07041	25.2
83.08602	16.7
85.02419	1.0
85.02892	16.9
85.09651	1.0
85.10166	25.4
89.05979	1.1
91.03934	16.1
93.07018	1.1
95.08585	42.2
97.02870	7.4
97.10144	7.4
98.96077	0.6
99.04366	0.8
99.11694	1.4
103.07507	0.8
105.07015	0.9
107.08565	0.7
109.02848	0.9
109.10146	16.9
111.11696	1.5
115.03887	0.9
123.11696	7.4
127.03894	3.7
133.10077	1.1
137.13225	1.5
145.04962	3.9
158.60962	0.7
163.05989	5.8
239.23636	22.2
257.24600	5.1
313.27313	100.0
331.28354	22.0
475.32492	4.0
508.92487	0.9
528.13062	0.9
577.23999	1.0
655.26794	2.6
678.42206	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00269	0.4
53.03939	6.3
54.04268	0.7
55.01865	3.8
55.05506	8.8
55.41409	0.4
56.86755	0.4
57.03425	6.4
57.07055	0.7
58.83793	0.3
59.04987	1.0
61.02908	1.9
61.99375	0.4
62.11070	0.3
62.76955	0.4
62.85020	0.3
65.03928	0.9
67.05141	0.6
67.05492	16.8
68.05821	0.4
69.03065	0.7
69.03417	15.7
69.07050	4.9
69.97578	0.4
70.03329	0.4
70.03745	0.9
71.01314	0.4
71.04983	4.1
73.02901	3.4
75.15511	0.4
75.20405	0.4
75.90031	0.4
77.03908	0.6
79.05473	17.3
80.05814	2.3
80.33970	0.4
81.03399	36.5
81.07038	16.0
81.55313	0.4
82.03728	4.5
82.07349	0.5
83.01311	0.6
83.04958	7.3
83.08601	5.6
85.02888	16.3
85.06522	3.5
86.03214	1.9
87.03290	0.9
91.05457	11.0
91.36692	0.4
92.08734	1.0
92.09274	1.0
93.07024	11.6
94.07350	0.5
95.04395	0.8
95.04951	14.7
95.08577	7.5
96.05277	2.9
97.02869	15.3
97.06499	3.2
97.10137	3.6
98.03173	2.4
99.03281	0.7
99.04420	4.2
99.08089	0.7
101.02365	0.7
105.03372	100.0
105.04527	2.5
105.07006	9.7
106.03707	40.5
106.04759	0.6
107.03940	6.4
107.04893	5.6
107.08584	7.7
108.04203	0.5
108.08922	0.5
109.02856	11.6
109.06511	2.6
109.10131	10.6
110.03187	2.6
111.04419	3.5
111.08043	3.3
117.07014	2.7
119.04895	1.0
119.08564	7.7
121.02839	0.7
121.06483	2.8
121.10126	5.1
123.04399	13.0
123.08035	1.8
123.11652	1.7
124.04733	4.6
125.04990	0.7
125.05923	0.7
125.09612	3.2
127.03897	6.8
128.04211	0.8
129.04404	0.8
129.06985	3.1
131.04892	0.6
131.08519	4.2
133.06487	2.2
133.10114	3.5
134.05959	0.4
134.22728	0.4
135.04364	0.7
135.08025	1.7
135.11688	3.2
137.02275	0.4
137.05957	1.8
137.09615	1.8
137.13301	0.4
139.03859	0.5
141.06963	0.6
142.07777	0.9
143.08553	0.8
145.04930	1.7
145.06493	0.6
145.10097	3.4
146.05319	0.5
147.04375	2.0
147.08015	1.8
147.11662	4.7
149.06065	0.5
149.09601	2.1
149.13251	1.0
153.09132	0.4
153.12793	0.7
155.08516	0.5
157.10046	4.9
159.11600	0.7
159.66629	0.4
160.18224	0.4
161.06050	0.5
161.09647	0.9
163.07603	0.4
163.11172	2.0
165.05359	0.6
165.09105	3.0
167.10683	0.5
173.04413	2.0
173.09589	0.9
173.11714	2.4
173.13167	0.6
175.11165	3.0
189.09061	0.8
189.11153	1.0
189.12746	0.8
191.10674	0.8
193.12202	7.1
195.11710	0.5
209.11653	1.6
211.13261	5.4
225.12750	0.5
227.12700	1.8
229.14351	3.4
247.13229	0.8
249.07539	8.9
250.07832	8.2
251.08083	5.9
252.08304	2.4
261.14774	0.6
267.08609	9.8
267.15897	2.5
268.08929	9.9
269.09106	9.3
270.09470	2.1
283.15353	0.5
285.17020	1.7
353.15884	0.5
421.25839	2.8
433.25720	0.6
439.26758	3.8
475.26831	1.7
493.27762	3.6
563.58435	0.5
637.32013	2.2
655.33160	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	655.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
57.07058	0.6
64.22968	0.3
67.05496	1.2
69.07024	0.5
79.05479	0.6
81.07036	0.5
83.04964	0.4
83.08617	0.3
83.84245	0.3
92.08810	0.3
93.07006	0.4
95.08613	0.3
100.30167	0.3
104.63863	0.3
109.10133	0.5
110.56327	0.4
121.10130	0.4
142.60391	0.4
173.82826	0.3
196.11382	0.3
284.42316	0.4
334.20071	0.4
377.17526	0.5
391.19214	1.8
392.19995	0.6
393.20889	0.5
405.17010	2.0
405.21252	0.8
407.22266	5.1
408.22971	0.4
418.17468	0.6
419.18085	3.1
419.23413	0.6
420.19324	1.5
421.20056	1.5
433.20462	6.4
434.20956	5.6
435.21701	9.5
436.22388	0.7
447.17630	1.7
447.22360	1.6
448.18323	1.3
448.23495	0.5
449.19788	2.0
461.19681	2.5
461.25046	0.5
462.20126	6.9
463.21085	4.1
475.21298	2.1
476.22089	1.6
477.22830	2.0
478.24271	0.4
479.20834	0.7
489.22818	1.6
493.21860	0.5
495.23523	1.1
506.23083	0.4
507.24121	1.7
508.24500	2.1
509.25568	2.6
519.22668	0.4
521.25549	13.0
535.27179	0.4
548.24316	0.5
549.24847	19.2
550.25671	0.5
553.24841	0.6
558.57874	0.4
563.26471	3.9
564.27454	0.5
567.25330	0.5
577.23865	0.6
581.27802	4.0
595.29053	11.4
607.28351	0.4
609.26947	13.6
623.28168	2.3
624.28864	0.5
654.29852	0.8
655.31067	100.0
656.31128	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.03944	2.3
55.01867	4.9
55.05510	1.5
57.03434	0.4
66.04718	0.7
67.05494	1.7
69.03413	2.4
69.07060	1.5
72.08141	0.6
79.05470	13.2
81.03387	3.2
81.07031	2.7
83.04977	0.8
85.02892	1.8
85.06533	0.6
90.04684	0.8
91.05461	7.1
92.08833	1.5
93.07030	2.9
95.04956	4.1
95.08588	2.5
97.02870	1.7
97.10156	0.4
99.04452	0.8
102.04677	0.7
103.04745	0.9
103.05448	26.9
105.03374	12.5
105.07013	100.0
107.04937	2.0
107.08583	2.2
109.02866	1.6
109.06502	0.5
109.10155	0.8
111.08006	0.4
115.05432	21.7
117.06995	1.6
118.04149	13.8
119.04930	3.8
119.08561	2.0
120.05686	0.5
121.06492	0.8
121.10148	0.8
123.04402	0.8
123.11696	0.6
125.09587	0.5
127.03900	1.5
129.06958	0.5
130.04099	0.8
131.04901	19.4
131.08502	0.4
132.05672	2.0
133.02817	1.7
133.06467	84.2
133.10110	0.9
134.06821	0.6
135.07991	3.2
135.11725	0.6
137.05962	4.5
143.04897	2.2
143.06038	8.0
145.02809	1.3
145.06517	0.7
145.10121	0.9
146.03674	0.6
147.04393	5.8
147.11644	0.5
148.05173	10.1
149.05939	1.9
159.04277	0.5
161.05945	92.9
161.13182	0.5
163.03952	0.6
163.07495	17.1
165.09070	2.8
165.12865	0.6
167.07080	0.4
173.05977	0.8
173.13155	0.6
175.14841	0.4
176.04619	1.9
177.05411	2.2
179.07031	0.8
185.13019	0.4
189.09138	0.8
191.06995	56.8
193.08566	28.9
249.07304	0.4
363.47653	0.4
438.26920	0.5
448.75156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29789	0.8
53.39799	0.7
54.67485	0.7
55.05503	3.5
57.07068	1.8
67.05488	5.5
69.07047	7.0
72.02728	0.8
79.05486	4.7
81.07044	14.7
83.08601	1.9
88.83617	0.8
91.05470	8.8
93.07013	12.4
95.04944	15.7
95.08588	25.7
105.07009	7.7
107.04958	4.1
107.08582	20.1
109.10134	10.1
117.06994	1.0
119.04941	8.0
119.08551	13.2
121.02853	18.7
121.06483	4.1
121.10123	13.4
122.03190	5.1
123.04411	100.0
123.11661	3.6
129.06996	1.1
131.08548	6.8
133.10123	10.9
135.11681	13.2
137.13251	6.8
143.08569	1.6
145.10066	8.2
147.04388	34.8
147.11627	7.7
148.04774	1.2
149.13242	9.5
157.10133	1.1
159.11670	4.4
161.13245	4.2
163.14809	1.9
165.05446	32.6
171.11681	5.4
173.13237	4.2
175.14815	6.7
177.16331	8.5
181.04906	1.3
183.11700	1.1
185.13243	1.7
187.14781	7.7
189.16345	7.2
198.89920	0.9
199.14844	1.5
201.16345	5.7
203.17941	10.2
213.16385	5.3
215.14438	0.9
215.17960	4.2
241.19473	3.8
255.21272	1.3
255.74344	1.0
259.16879	1.5
313.21576	1.0
363.16147	1.0
391.33792	1.2
407.32971	4.8
409.34778	2.1
435.32559	1.1
437.34131	16.5
453.33511	1.5
466.03165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.7
57.07066	1.5
60.90125	0.8
61.76319	0.6
65.03934	0.8
67.05479	7.7
69.07050	10.2
79.05471	5.9
81.07032	17.5
83.08596	5.6
85.06524	0.8
85.52946	0.7
91.05448	14.7
92.09161	4.7
93.07014	18.0
95.04947	20.1
95.08576	29.9
95.23802	0.8
97.06499	0.9
104.78590	0.8
105.06995	15.3
107.04933	65.2
107.08572	28.1
109.06530	1.3
109.10131	26.8
111.08085	1.2
113.09663	0.9
117.06981	1.5
119.04907	24.2
119.05699	1.4
119.08559	31.0
121.06487	8.2
121.10106	28.0
121.10969	1.2
123.04397	100.0
123.07994	1.2
123.11675	8.0
124.94796	0.8
125.09602	3.1
129.07039	1.2
131.08514	9.3
133.10103	37.9
135.11671	15.8
137.13223	1.7
143.08545	4.5
144.09300	0.9
145.10098	23.4
147.04381	89.5
147.11652	19.7
149.09619	1.7
149.13243	10.8
151.11177	1.5
151.14777	0.9
153.09073	1.0
157.10130	3.7
158.10895	1.0
159.11673	15.2
161.13222	11.1
163.03877	0.9
163.11133	5.6
163.14761	13.4
163.75072	0.9
165.05431	18.3
165.12714	0.9
169.10109	0.9
171.11652	3.9
173.13228	11.7
174.71429	0.8
175.14763	20.2
177.12738	0.9
177.16333	15.0
183.11646	1.2
185.13196	2.9
187.14774	23.0
189.16345	24.1
191.17911	12.1
193.15817	3.1
197.13382	0.9
199.14807	5.7
201.16348	27.8
203.17903	19.9
205.15883	5.6
207.17375	1.3
211.14870	1.1
213.16360	17.7
215.14302	1.7
215.17897	16.7
217.15877	3.8
217.19382	0.8
219.17375	10.3
227.17920	3.1
229.19476	3.2
231.17473	1.1
233.18968	1.6
235.16846	1.4
239.17773	0.8
241.19330	3.1
243.21045	3.0
247.16850	3.1
249.18564	1.3
253.19536	0.8
255.21025	1.2
261.18393	3.5
265.19293	0.8
267.20978	1.2
269.22540	0.9
275.20029	1.1
283.24384	0.9
329.24548	0.8
341.24512	1.0
365.31912	1.2
389.31955	4.3
391.33472	1.5
407.32938	26.7
409.34610	17.3
427.35855	3.3
435.32465	16.0
437.33994	9.1
453.33478	10.1
455.35141	16.9
601.38574	3.9
619.39575	1.8
654.42999	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.8
57.07068	2.3
59.89869	1.0
67.05489	7.6
69.07057	10.2
69.90133	1.0
71.49107	0.9
79.05469	4.8
81.07037	15.7
83.04939	1.3
83.08602	6.7
91.05465	14.0
92.08979	2.8
93.07028	11.6
95.04949	15.8
95.08594	26.1
97.06506	1.5
97.10156	2.4
105.06998	14.0
107.04946	65.0
107.08575	29.0
109.10131	20.2
111.08121	1.4
111.39229	1.1
115.39854	1.4
117.07009	2.0
119.04926	21.5
119.08557	33.3
119.61367	1.5
121.06475	5.2
121.10128	22.8
122.95193	1.2
123.04408	100.0
123.11691	8.6
125.09559	1.8
131.08524	6.5
133.10121	30.7
135.11661	9.3
135.39560	1.1
137.13246	1.7
143.08528	5.2
145.10110	17.8
147.04391	80.6
147.11684	18.1
149.05914	1.7
149.09584	1.9
149.13211	9.7
157.10121	2.8
159.11664	18.4
161.13243	11.3
163.11203	2.1
163.14830	13.2
165.05411	16.5
171.11664	2.7
173.13248	10.8
175.14792	17.1
177.09160	1.4
177.16299	9.9
187.14821	19.7
189.16347	17.0
191.17912	5.8
195.45915	1.2
197.13091	1.6
199.14806	4.7
201.16327	19.8
203.17926	13.2
205.15848	7.1
213.16309	12.7
215.17900	15.1
217.15727	1.4
219.17337	11.0
229.15918	1.6
229.19460	1.7
233.18991	1.4
235.16884	2.7
247.16867	4.9
255.20998	1.9
261.18546	1.3
283.24213	1.4
389.31854	2.8
391.33551	1.7
403.97586	1.1
407.33008	25.7
409.34604	10.2
427.35574	4.5
429.02451	1.2
435.32437	14.7
437.33990	6.3
453.33633	8.9
455.35120	9.6
477.04282	1.3
619.39606	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.8
57.07066	2.7
59.78806	1.5
61.02916	1.9
67.05492	14.6
69.07063	9.6
69.57671	1.4
71.68758	1.4
79.05475	7.0
81.07053	26.4
83.08603	8.4
86.41663	1.9
89.15387	1.6
90.96243	1.8
91.05456	17.9
92.09063	9.2
93.07030	20.7
95.04927	18.6
95.08598	35.9
97.10164	3.9
105.07008	17.1
107.04944	46.9
107.08579	28.5
109.06539	1.9
109.10151	24.4
117.05490	4.1
119.04914	27.6
119.08559	30.0
121.06499	9.2
121.10133	28.3
122.10574	2.0
123.04407	100.0
123.11697	9.4
131.08585	3.7
133.10118	33.5
135.11682	19.4
137.13260	4.2
143.08582	3.3
145.10120	17.6
147.04402	75.9
147.11688	21.4
149.09593	4.1
149.13235	11.0
151.14830	2.9
155.78918	1.6
157.10129	2.2
159.11688	13.1
160.66821	2.0
161.13193	13.2
163.14821	14.7
165.05431	20.4
165.06631	2.0
171.11731	7.7
173.13211	12.3
175.14790	20.3
177.16405	11.5
183.11639	1.8
185.13319	3.8
187.14798	19.1
189.16345	17.5
191.17899	3.7
199.14697	6.4
201.16397	18.1
203.17912	13.7
205.15845	4.1
213.16351	12.9
215.17926	16.7
219.17490	7.3
251.49402	1.9
299.25861	4.1
389.32278	2.7
407.33124	22.1
409.34497	10.3
435.32608	13.4
437.34052	8.0
453.33707	10.1
455.35318	14.0
651.55078	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.2
54.37086	0.2
54.81813	0.2
55.05502	2.4
57.07057	1.3
60.20686	0.2
67.05494	2.7
69.06768	0.2
69.07050	3.2
70.81446	0.2
79.05486	2.1
81.06591	0.5
81.07034	9.2
83.08595	2.5
86.74861	0.3
91.05460	5.9
92.08653	0.3
92.09158	1.0
93.07021	7.9
95.04940	14.0
95.08582	13.0
97.10141	0.6
105.06999	6.4
105.68788	0.3
107.04932	3.1
107.08575	12.4
109.10138	7.4
111.08064	0.4
117.06971	0.6
119.04919	9.0
119.08557	14.0
121.06473	4.0
121.10123	10.8
122.78422	0.3
123.04401	100.0
123.11681	6.4
129.06978	0.6
131.08545	3.2
133.10100	9.2
135.11662	6.1
135.94272	0.3
137.13220	1.6
143.08516	2.8
145.10106	7.2
147.04385	34.6
147.11664	6.4
149.13234	3.5
153.09090	0.4
155.08536	0.4
157.10129	1.4
158.10843	0.3
159.11665	5.4
161.13220	4.2
163.07506	0.4
163.11089	0.3
163.14790	2.0
165.05434	29.2
169.10101	0.3
171.11661	1.7
171.94431	0.3
173.13219	3.5
175.14745	5.8
177.05478	0.3
177.09061	0.5
177.16328	5.0
183.11662	0.5
185.13200	1.2
185.78127	0.3
187.14792	4.8
189.16331	6.9
191.17950	2.3
197.13283	1.0
199.14760	2.0
201.16353	7.2
203.17929	7.4
205.15805	1.2
207.17422	0.6
211.14812	0.4
213.16330	3.9
215.17903	16.4
217.15820	0.3
217.19418	0.5
219.17433	1.3
225.16281	0.4
227.17900	0.4
229.12212	0.3
229.15823	0.4
229.19557	0.4
231.17209	0.3
233.18958	0.4
235.16849	0.6
241.19461	1.5
243.21080	1.1
247.16949	2.7
249.18460	0.5
253.19313	0.5
255.21036	1.4
261.18405	6.5
267.21112	0.6
269.22549	0.6
276.13748	0.3
295.24023	0.4
296.01404	0.3
299.20041	0.6
301.21597	0.4
389.31726	0.5
391.33521	2.1
394.28506	1.0
407.33096	4.7
409.34616	4.3
411.32364	3.2
425.33929	0.3
427.35831	1.3
435.32379	2.7
437.34048	15.7
437.40140	0.5
453.33371	1.5
455.35172	1.3
546.29370	0.3
619.39459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.05507	10.4
57.02449	1.3
57.03435	28.3
57.07062	6.0
61.02907	6.8
63.03551	1.2
67.05492	10.1
69.03418	21.0
69.07055	13.4
71.04962	1.6
71.08620	1.6
79.05483	1.7
81.03393	19.5
81.07046	18.0
83.04947	1.2
83.08606	12.6
84.68815	1.1
85.02892	18.2
85.30375	1.3
85.49902	1.1
91.05446	3.2
92.08681	1.4
92.09180	2.9
93.07011	7.7
94.23531	1.3
95.08581	21.7
97.02873	5.3
97.10156	6.0
99.04431	8.8
103.03910	2.3
105.07011	6.5
107.08575	6.8
109.02860	16.7
109.06531	2.6
109.10138	14.2
114.15038	1.3
117.05477	76.0
119.08559	8.7
121.10145	6.3
123.11703	5.2
127.03881	28.9
133.10159	4.5
135.11708	2.4
145.10115	2.3
147.11650	2.9
159.06500	100.0
161.13264	2.3
169.04944	2.3
176.95428	1.2
187.06009	3.1
189.16302	1.7
247.08087	7.8
308.98801	1.8
309.55762	1.4
397.29401	40.9
415.30542	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	654.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	22.5
55.01869	1.4
55.05503	10.8
57.03427	38.6
57.07055	3.6
61.02912	11.6
67.01841	3.3
67.05495	11.7
67.50115	0.8
69.03413	11.2
69.07053	14.3
71.04964	4.2
71.08597	1.1
71.99357	0.6
73.02892	0.7
79.05467	4.8
80.28587	0.6
81.02929	1.3
81.03399	35.6
81.07044	14.8
83.04971	1.2
83.08598	12.7
85.02880	12.0
85.06516	1.5
91.05448	3.9
93.07017	5.7
95.04966	1.5
95.08585	18.3
97.02866	19.1
97.06518	2.7
97.10146	7.9
99.04433	12.7
101.04602	0.7
103.03896	1.3
105.03366	0.9
105.07017	5.3
107.08585	7.5
109.02862	48.8
109.03615	1.7
109.06496	0.8
109.10144	11.0
111.11691	1.3
116.33169	0.6
117.05468	100.0
119.08583	5.2
121.10085	5.1
123.11646	5.1
125.13194	0.8
127.03888	37.0
131.08557	1.1
133.10101	3.9
135.11682	1.7
143.08469	0.8
145.04927	3.2
145.10071	1.1
147.04469	0.8
147.11679	3.1
149.13269	1.5
151.14830	1.1
159.06493	2.8
159.11743	1.3
161.13193	1.1
169.04950	3.9
172.16937	0.7
173.13156	0.9
175.14842	0.9
178.99673	0.7
187.05980	13.9
221.22633	0.9
229.06998	4.5
245.22583	1.0
247.08073	15.0
257.24744	3.6
281.24661	0.9
351.71033	0.7
355.28326	24.6
363.12711	2.6
373.29449	19.4
379.59589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	11.0
56.04480	2.0
57.03429	54.0
57.07059	3.1
61.02910	11.5
62.51918	2.3
64.98014	2.3
65.36629	2.3
67.05488	11.0
69.03417	11.4
69.07050	15.8
70.70404	2.0
71.04967	3.5
73.78357	2.2
75.04485	2.1
79.05485	3.4
81.03391	8.6
81.07053	26.8
83.08601	15.2
85.02901	10.2
89.75118	2.3
91.05447	4.2
92.09003	18.5
93.06994	8.6
95.08595	26.3
97.02879	31.6
97.10121	9.2
99.04408	3.9
105.07038	2.8
107.08556	5.2
109.02869	5.2
109.06516	2.6
109.10143	10.0
117.04667	5.0
117.05472	100.0
117.06303	3.5
119.08570	4.9
121.10159	5.5
123.11683	5.2
127.03913	4.9
128.23839	2.3
145.04990	2.8
145.10173	3.4
147.11630	3.1
159.06509	85.6
175.14758	2.9
189.18709	2.2
193.83183	2.3
212.88741	2.6
234.92181	2.4
355.28391	5.4
373.29581	9.8
397.29205	25.4
415.30511	14.0
610.79480	2.3
653.78021	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.3
53.00304	0.2
53.03708	0.3
53.03938	3.0
55.01858	0.7
55.05500	2.0
57.03423	1.5
57.07061	0.5
59.04979	0.2
61.02911	0.5
66.25351	0.2
67.05490	2.6
67.67030	0.2
69.03414	22.8
69.07053	2.3
71.04980	1.9
77.03904	0.3
79.05472	7.0
81.03397	15.3
81.07037	4.5
82.07378	0.2
83.01326	0.2
83.04961	1.7
83.08587	0.8
83.55420	0.2
85.02887	10.0
85.06535	1.8
86.09683	1.2
91.05466	2.3
92.08642	0.2
92.09170	0.4
93.07018	3.3
95.04397	0.3
95.04955	6.1
95.08582	4.7
97.02869	9.2
97.06509	2.0
97.10101	0.2
99.04426	2.7
99.08104	0.2
105.03371	100.0
105.07005	3.7
106.03708	0.9
107.04939	0.9
107.08575	9.0
109.02859	9.8
109.06503	3.4
109.10120	2.9
111.04388	0.3
111.08079	1.4
112.29173	0.2
117.06963	0.9
119.08567	3.0
121.06480	1.1
121.10119	6.8
122.07270	0.4
123.03516	0.4
123.04402	9.1
123.08022	2.0
123.11676	1.7
124.99965	0.4
125.09608	8.0
127.03889	6.3
129.06932	0.3
131.08540	3.8
133.10103	17.9
135.08025	6.3
135.11690	2.6
137.06007	0.3
137.09586	10.4
139.11148	0.2
143.08539	1.1
144.09323	0.3
145.04901	1.5
145.10095	2.4
147.04413	0.2
147.08040	0.3
147.11655	1.9
149.09601	2.9
149.13210	2.8
151.07532	0.3
151.11169	0.9
153.09074	2.3
157.10110	0.5
158.10884	1.2
159.11671	0.4
161.09596	0.5
161.13315	0.3
163.03880	0.4
163.11122	1.4
163.14813	1.8
165.05478	0.5
165.12643	1.3
165.69363	0.2
171.46152	0.2
173.13226	8.9
175.11131	0.2
176.11905	0.3
177.05426	0.3
184.07330	2.8
187.11153	0.2
189.09105	0.2
189.12738	0.3
191.14270	28.9
207.13834	0.4
209.15331	24.7
210.15730	0.3
231.06529	1.3
249.07510	19.1
250.08009	0.3
267.08575	21.6
268.08633	0.3
386.08298	0.2
604.32458	0.3
618.43671	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04427	0.2
51.02366	0.5
53.03936	4.2
55.01857	1.0
55.05490	0.6
57.03423	1.5
61.02895	0.3
63.02328	0.2
67.05499	0.5
69.03413	7.9
69.07045	0.6
71.04967	1.4
73.02879	0.3
77.03904	0.3
79.05473	5.4
81.03394	18.7
81.07021	1.1
83.04969	0.4
85.02885	6.0
89.03894	0.6
91.05460	0.6
92.09261	0.2
93.07014	1.2
95.01315	0.4
95.04941	7.2
95.08597	1.0
97.02866	11.2
97.06464	0.3
97.10145	1.0
99.04433	2.4
101.02357	0.3
105.03368	100.0
105.07007	1.3
106.03706	0.4
107.04926	1.3
107.08554	0.9
109.02857	8.9
109.10142	1.0
117.03358	1.4
119.08566	1.0
121.02934	0.2
121.06512	0.3
121.10104	0.3
123.04398	7.1
123.07988	0.3
123.11639	0.4
125.09588	0.4
127.03883	5.1
131.04865	0.3
131.08589	0.3
133.10106	0.5
135.04390	6.1
135.11684	0.4
137.05949	0.3
138.03062	0.5
138.40935	0.2
139.03860	2.0
139.11089	0.3
141.01749	0.5
145.02809	6.4
145.04951	1.1
145.10097	0.4
146.53836	0.2
147.04366	2.7
149.02321	1.7
149.05969	0.5
149.09680	0.3
151.26019	0.3
153.05438	50.7
159.04375	0.9
159.11653	0.4
161.05925	0.4
161.09653	0.3
163.03864	53.4
165.05414	0.3
173.05843	0.3
175.03883	1.2
177.01778	3.0
177.03903	0.9
177.05424	4.0
177.12616	0.2
181.04930	2.0
187.03857	1.5
189.05403	1.2
191.03413	0.3
195.02756	0.4
195.06482	17.6
201.05458	0.4
203.03348	22.0
205.04907	3.1
213.05383	0.4
215.03345	4.7
217.05011	0.5
221.04427	0.5
229.04881	1.2
231.02821	3.4
231.06384	0.5
233.04414	2.8
235.05913	0.3
245.04341	0.2
249.07512	12.9
257.04453	0.4
261.03888	2.3
267.08557	6.8
275.05383	1.3
279.04886	5.7
291.04926	4.5
303.04855	1.4
321.05923	4.1
339.07019	27.6
345.65268	0.2
353.08807	0.3
357.08133	1.1
364.23935	0.3
371.09616	4.7
393.32962	0.3
567.84021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3526
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.00289	3.0
53.03936	6.3
55.01855	4.0
55.05503	24.2
55.19150	2.2
57.03422	17.8
67.05183	3.2
67.05489	51.6
69.03397	14.6
69.07058	18.3
71.04972	4.8
73.02904	2.4
74.23191	2.2
79.05470	72.0
81.03391	100.0
81.07035	53.4
83.04960	25.6
83.08590	21.6
85.02867	13.0
91.04898	2.6
91.05457	69.4
93.07017	58.9
95.04930	36.9
95.08565	34.9
97.02860	12.7
97.06492	4.5
97.10142	10.5
105.03357	5.8
105.07006	50.4
107.04941	3.2
107.08585	24.3
109.02866	4.5
109.06490	10.4
109.10142	18.4
111.04392	4.7
111.08001	4.0
111.78677	2.3
115.05426	3.6
115.24834	2.6
116.69608	3.2
116.70403	2.6
117.07005	13.0
119.08571	38.7
119.43108	2.5
121.06399	3.3
121.10088	14.0
121.11729	2.5
123.08065	3.9
124.73512	2.5
125.09617	2.6
127.03876	5.1
129.07002	23.6
131.08545	14.4
133.10100	16.7
135.11630	4.1
141.07002	2.8
142.07750	2.9
143.08530	11.0
145.10077	11.3
147.11636	34.6
149.09633	6.1
157.10098	12.7
159.11607	2.9
161.09599	3.4
161.13217	11.8
171.11644	20.6
175.11197	4.9
189.12657	5.9
193.12215	26.5
195.77312	2.4
197.13167	3.4
205.15782	3.7
207.13788	12.2
211.13272	15.9
229.14308	3.4
267.15814	26.5
281.17331	30.1
406.49167	2.7
411.20285	2.5
429.20911	12.2
454.69156	3.0
473.28867	86.4
491.29590	11.8
635.34033	37.4
653.32672	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	653.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	14.5
55.01880	5.7
55.05509	33.3
57.03428	24.4
64.04527	3.7
64.33658	3.6
64.67003	3.7
67.05491	60.3
67.23079	3.2
69.03419	23.5
69.07039	14.9
71.04978	7.6
73.02906	4.4
79.05473	100.0
81.03400	97.7
81.07043	73.0
83.04974	34.6
83.08601	24.6
85.02909	26.0
85.06514	6.1
91.05458	78.1
92.09095	15.9
93.07015	77.7
95.04943	58.7
95.08585	43.7
97.02876	20.8
97.06525	14.5
97.10149	5.5
105.03373	4.9
105.07021	67.9
107.04949	19.3
107.08562	37.8
109.02831	5.3
109.06466	11.9
109.10154	15.4
110.86520	3.7
111.04424	4.3
111.08065	7.4
115.05460	4.1
117.07018	19.3
119.08552	46.3
121.06473	4.6
121.10144	14.5
123.08067	8.5
127.03867	3.9
128.06219	4.5
129.06996	39.0
131.08551	24.0
133.10124	19.6
135.11702	5.4
143.08554	7.0
145.10100	19.8
147.04454	6.3
147.11685	32.1
149.09599	4.7
155.08571	7.4
157.10118	18.5
159.11728	4.7
161.13213	15.7
163.04021	4.1
171.07906	4.9
171.11699	19.2
175.11151	15.6
186.80376	3.6
193.12207	33.2
207.13792	20.7
211.13293	24.2
267.15878	20.1
281.17441	38.9
285.16943	5.3
306.66721	4.3
473.28922	67.9
491.29962	17.3
546.65454	3.6
635.33722	21.0
664.51703	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	653.2964
Annotation	Haplophytine
Peak:m/z	Relative Intensity
61.44174	0.8
67.05502	1.0
77.17601	0.9
79.05491	1.3
81.07021	1.0
92.08666	0.9
92.09185	3.9
98.70610	1.0
105.56897	0.9
107.08601	1.5
108.49065	0.9
135.08104	1.0
149.71368	0.9
153.90703	1.3
183.94859	1.1
214.54117	1.1
354.77573	1.0
363.41809	1.0
386.18497	1.3
390.18439	1.3
391.18890	1.7
403.19238	3.3
404.19843	4.1
405.20630	13.1
417.20932	3.8
419.22382	11.0
420.23029	5.3
433.23837	6.1
434.24457	2.0
444.83759	1.0
447.21741	4.9
448.26099	1.4
449.19672	4.9
450.20581	3.4
463.21298	5.1
464.21851	4.6
475.20956	2.2
477.22894	5.7
478.23615	5.4
479.24283	47.5
487.21323	5.1
491.20081	1.6
492.25357	1.8
493.25970	1.6
501.22461	2.0
502.23999	1.3
505.26318	1.7
507.27509	26.2
519.23932	2.0
533.25360	5.1
536.23914	1.3
537.24927	13.2
539.26129	1.3
551.26398	40.9
561.24969	9.0
565.27954	17.4
566.28784	65.1
593.27704	7.7
621.26825	13.4
635.28650	1.4
653.29572	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	653.2966
Annotation	Haplophytine
Peak:m/z	Relative Intensity
54.56966	1.2
59.71405	1.1
59.98610	1.4
69.76208	1.5
76.92520	1.2
82.92027	1.4
90.83484	1.3
92.08822	1.9
104.17988	1.4
113.54483	1.3
118.77950	1.4
172.52917	1.7
370.31204	1.7
390.27612	1.9
391.19199	6.3
403.79196	1.5
405.20776	9.7
406.21509	8.6
407.22668	1.7
419.22690	1.5
420.23111	8.6
421.23795	17.9
433.19815	2.1
450.20313	3.0
465.22745	56.0
473.19519	2.3
479.24481	7.6
480.25226	2.3
491.20901	6.2
503.24387	52.5
507.27853	3.3
535.26978	41.4
551.26300	6.5
561.24884	3.6
579.25873	45.0
593.27704	6.0
594.28040	15.1
621.27197	18.0
653.29529	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	653.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23922	1.7
64.90226	1.7
67.05485	3.6
70.55785	1.5
81.07076	2.9
91.00778	2.1
91.05393	2.7
92.09094	13.4
194.08083	2.9
222.11217	2.2
225.13805	4.3
235.12311	2.0
237.13872	3.4
241.56371	2.2
249.10159	2.8
277.09686	2.1
334.89288	2.0
403.18964	3.2
428.16083	2.3
443.18716	2.4
444.19092	2.6
445.20166	3.5
447.21872	3.0
459.21603	4.1
472.18338	2.5
487.20926	12.5
501.22678	2.7
529.22656	2.9
533.24860	4.2
561.24872	95.7
589.24084	10.0
621.26996	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	653.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15916	3.0
80.98564	3.0
81.07061	4.1
83.84978	3.3
84.05474	3.0
92.08930	6.1
92.63731	4.3
107.08603	4.0
123.82729	3.4
146.93025	3.3
225.13840	6.4
253.13283	3.6
274.88474	3.5
364.96585	3.7
431.18396	5.9
445.19904	4.6
447.21420	4.2
459.21783	8.1
487.21228	8.4
561.24896	91.2
621.17761	5.1
621.26978	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	653.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28790	0.9
59.06113	2.8
59.66582	1.1
71.78108	1.3
76.44519	1.1
81.07039	2.0
81.63692	1.0
88.02013	1.1
91.05500	1.7
92.08995	12.6
93.07024	1.6
138.05560	1.4
142.94656	1.1
146.05936	1.3
166.60858	1.2
172.04074	1.3
208.09775	1.4
210.11420	2.0
211.12187	1.7
221.10806	2.7
222.11380	1.2
223.12241	5.0
225.13812	7.9
235.12300	2.1
237.13863	1.3
249.10072	1.5
249.13879	1.5
277.09784	2.5
337.11865	1.7
382.11652	1.6
396.13004	1.5
401.17618	1.5
426.18198	1.6
429.17108	5.3
431.18121	4.5
443.18695	2.4
445.20081	4.8
446.20871	4.8
447.21808	2.0
459.22012	8.3
471.18143	1.4
475.20734	2.6
487.21381	11.6
501.22400	5.6
515.21118	1.7
519.23627	2.2
529.21912	2.4
531.76764	1.2
533.25159	6.4
561.15997	2.8
561.24811	85.7
589.23981	5.8
593.29474	1.3
621.26959	100.0
622.27161	1.6
653.31409	5.4
653.40240	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	653.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24707	1.5
63.53076	1.6
64.19015	1.4
67.05488	1.3
92.08680	2.6
92.09194	3.3
105.05412	1.6
136.91658	1.8
163.28336	1.5
183.51636	1.4
209.10762	2.6
210.11534	2.2
211.12337	1.8
221.10815	2.5
223.12332	2.3
224.13074	2.0
225.13849	7.1
237.13786	3.1
248.52763	1.8
249.10219	2.0
249.13777	2.3
309.12311	1.6
337.12030	2.4
352.14401	3.4
402.18311	2.4
417.16324	2.1
429.17053	1.9
430.17657	3.0
431.17871	3.5
443.18539	2.6
445.20480	2.6
446.20496	3.1
447.21686	2.5
459.21933	3.2
463.77686	1.7
475.21182	1.9
487.21378	12.4
501.22620	2.8
515.20496	6.3
519.23767	2.8
529.21545	1.8
531.19983	2.3
533.25226	6.7
561.24811	100.0
562.25549	2.0
589.24164	9.6
605.74487	1.8
621.26953	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.26
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
60.94451	3.7
61.40776	3.7
61.75191	4.2
65.35229	3.8
67.76409	3.2
74.37088	3.6
81.07049	5.5
88.73863	3.8
92.08997	28.8
95.08597	4.1
95.39654	4.0
109.10119	4.3
112.82203	4.2
226.48105	4.5
284.35544	5.1
377.17459	15.8
378.18439	5.1
391.18976	16.8
392.20010	6.9
393.20428	5.4
405.20761	7.5
406.21539	4.6
407.22086	19.5
435.21823	9.6
459.17902	5.0
465.18961	8.4
479.20697	29.8
517.22296	40.6
518.22552	14.9
537.25427	4.7
549.25134	36.1
551.22931	5.7
565.24097	7.1
566.25476	34.0
575.22321	7.1
593.23688	22.3
594.24048	9.4
609.26892	9.6
635.24792	83.4
653.26050	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	653.1713
Annotation	Quercetin 3-(6'''-acetylglucosyl)(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.00282	0.6
53.03941	19.5
54.81981	0.6
55.01869	6.4
55.05508	9.7
57.03429	10.2
57.71532	0.6
61.02916	11.2
67.05503	1.1
69.03416	81.1
71.01334	1.5
71.04974	8.7
73.02904	11.3
75.87926	0.6
79.05487	0.7
81.03401	100.0
83.01324	0.9
83.04967	40.1
85.02891	100.0
87.04437	1.2
92.08889	1.4
93.07025	0.8
95.04939	2.5
95.08585	0.7
97.02869	41.9
99.03835	1.3
99.04434	22.7
101.06065	0.6
103.03911	7.1
105.03364	0.7
106.40582	0.6
107.04875	0.8
107.08592	0.7
109.02864	96.2
111.00713	0.6
111.04428	22.1
115.03900	2.6
119.08543	0.8
120.90700	0.7
121.02843	1.2
123.04391	1.1
127.03892	93.3
129.05457	1.2
133.04935	0.9
137.02345	5.1
137.38774	0.7
139.03848	0.9
145.04932	10.5
148.09877	0.6
149.02290	0.9
153.01794	4.5
163.03888	2.4
165.01797	3.0
169.04936	19.1
173.05862	0.9
183.02771	1.0
187.05977	42.6
201.05452	2.5
205.05106	1.0
205.07040	30.6
219.77229	0.6
229.04924	5.6
237.07530	1.2
247.05980	0.8
257.04300	3.6
283.76328	0.8
303.04926	78.8
314.06946	0.6
315.04941	1.1
331.78696	0.6
345.05975	7.3
431.09592	0.8
449.10449	0.9
584.94647	0.7
650.35748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.4
55.05500	23.0
56.95530	3.8
57.03432	9.8
57.07050	5.0
57.42794	3.2
59.05006	4.5
59.10900	3.6
61.02913	3.5
62.64634	3.9
64.33126	4.0
67.05495	40.2
67.69537	3.8
69.03384	3.8
69.07059	61.8
70.15544	3.7
71.77651	4.2
79.05470	32.9
81.07037	65.2
83.05001	6.9
83.08560	11.3
85.02870	6.2
91.05458	34.3
92.09103	7.9
93.07031	63.0
95.04956	19.9
95.08588	56.6
97.02896	4.9
99.20201	3.6
105.03373	7.6
105.07020	73.8
107.08581	87.3
108.86688	3.8
109.06502	7.9
109.10130	67.1
117.05525	5.4
117.06973	16.9
119.04967	6.5
119.08566	100.0
121.06491	9.2
121.10126	82.9
123.08021	4.5
123.11681	20.1
127.29716	4.0
130.07744	4.6
131.08549	43.5
133.10114	71.7
135.08052	9.0
135.11713	32.9
137.13248	4.6
142.07765	6.4
143.00754	4.2
143.08560	24.1
144.09357	4.6
145.10103	49.4
147.04420	22.6
147.11621	36.2
148.04715	4.6
149.09598	6.7
149.13240	17.3
151.11145	4.0
155.08560	8.4
157.10094	40.9
159.06528	24.1
159.07808	4.2
159.11650	45.9
161.13232	45.9
163.11253	4.7
163.14856	9.0
165.09128	3.8
168.09354	4.7
169.10121	6.2
171.11691	25.0
173.13164	32.3
175.14790	25.5
177.12686	4.4
181.10101	6.2
182.10956	4.6
183.11673	50.9
185.13240	21.8
187.14799	26.1
189.16418	20.3
193.15877	7.1
195.11679	8.8
197.13261	9.6
199.14839	8.2
201.12733	7.2
201.16388	6.9
203.14241	4.2
203.17946	7.2
205.15883	5.2
207.11696	5.5
208.12421	5.0
209.13226	7.0
211.14767	31.1
213.16302	7.0
215.18051	5.0
217.86971	4.1
219.13866	5.0
221.13083	5.1
223.14790	9.4
225.16345	9.8
227.17877	7.2
233.13321	6.1
235.14877	8.8
237.16408	7.0
243.17236	6.2
249.16365	9.2
262.17526	5.2
263.17886	5.0
272.27426	3.8
277.19528	5.8
289.19571	5.6
337.25317	8.1
355.26389	7.9
373.27585	6.5
401.31989	44.4
409.34714	8.2
419.32965	52.3
437.34088	29.6
455.35013	6.5
575.94495	4.2
611.03772	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	652.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08071	0.2
54.27464	0.2
55.05489	1.1
58.57428	0.3
65.03912	1.2
67.05473	1.4
69.07044	1.6
72.89758	0.2
73.30118	0.2
76.56120	0.2
79.05464	1.3
81.07038	3.9
82.32630	0.2
83.08582	0.4
91.05458	12.5
93.07026	3.1
95.04933	0.3
95.08577	5.3
97.06512	0.5
97.10147	0.3
105.07021	4.1
107.08567	5.1
109.06493	0.6
109.10143	3.5
117.06895	0.4
119.04917	32.5
119.08548	5.2
121.10123	3.9
123.11668	0.7
125.09613	0.5
131.08554	1.8
133.10106	5.5
135.11673	2.0
138.55783	0.3
143.08507	0.6
145.10089	4.5
147.04385	100.0
147.11659	3.4
148.04675	0.6
149.09612	0.4
149.13249	1.2
157.10051	0.6
159.11662	3.7
161.09560	0.3
161.13245	1.9
163.14795	1.0
165.05473	1.2
169.10123	0.4
171.11714	1.3
173.13243	2.6
175.11203	0.3
175.14796	2.9
177.16325	2.3
184.12315	0.4
185.13211	0.6
186.42659	0.3
187.14789	4.5
189.16333	4.2
191.17874	1.4
197.13136	0.3
199.14792	1.6
201.16354	4.9
203.14218	0.3
203.17917	1.4
205.15811	0.3
210.03607	0.3
213.16342	1.7
215.17938	2.7
217.15822	1.2
219.17424	0.6
229.19516	0.4
235.16768	0.5
241.19479	0.5
243.21143	0.3
261.18408	0.6
389.31714	0.4
407.32996	4.9
425.33905	2.2
435.32458	1.8
453.33438	2.5
471.34528	0.6
484.72528	0.3
611.39026	1.3
617.38300	13.6
652.40625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32270	0.8
52.65174	0.7
55.05502	1.7
69.03489	0.7
69.07038	1.4
79.12708	0.9
83.08637	1.4
84.13618	0.9
91.05495	1.1
92.08633	2.1
92.09253	5.9
93.07006	3.5
95.08570	3.9
99.87074	0.8
105.07032	1.5
107.08556	5.0
109.10104	1.6
119.08566	4.6
121.02844	100.0
121.10109	2.1
133.10117	3.9
135.11693	1.8
139.07527	1.0
145.10072	1.5
147.11598	0.8
159.11681	1.8
161.13239	1.3
175.14699	1.1
181.04926	20.3
189.16298	1.3
193.96744	0.9
202.14351	0.9
203.17923	1.3
215.17952	1.1
227.45331	1.0
407.10754	1.0
437.33963	7.0
497.72964	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35323	0.3
55.05494	0.8
58.35609	0.3
62.76793	0.3
65.03913	0.7
67.05485	1.5
69.07048	1.3
77.94585	0.3
79.05457	1.7
80.39651	0.3
81.07027	4.4
81.18077	0.4
83.04933	0.4
83.08624	0.6
91.05453	14.7
93.07019	3.5
95.04948	1.3
95.08577	5.9
97.06477	0.5
105.07025	3.7
107.08575	5.5
109.06472	0.6
109.10121	4.2
117.06958	0.6
119.04919	35.6
119.08540	5.3
121.02839	30.3
121.10104	3.1
123.08008	0.5
123.11679	1.4
125.09587	0.4
128.48335	0.3
131.08525	2.4
133.10103	5.2
133.13701	0.3
135.11650	1.8
143.08484	0.5
144.09323	0.3
145.10115	4.2
147.04385	100.0
147.11650	3.5
148.04729	1.6
149.13229	1.4
153.09090	0.4
157.10133	0.5
159.11591	3.2
161.13203	1.9
163.03833	1.2
163.14780	0.7
171.11638	0.7
173.13252	2.1
175.14763	4.0
177.16356	1.5
181.04912	5.6
185.13142	0.7
187.14815	4.0
189.16325	3.0
197.13213	0.4
199.14754	1.5
201.16365	4.2
203.17931	0.8
213.16389	0.8
215.17950	1.6
227.17892	0.4
389.32068	0.7
391.33896	0.4
407.33038	4.6
409.34473	0.4
425.34055	0.7
435.32312	2.1
437.34052	0.8
453.33469	2.4
471.34488	2.1
617.38031	3.5
651.40759	0.6
652.40540	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02178	0.1
53.00277	0.1
53.29771	0.1
53.30028	0.1
55.05500	0.5
64.33531	0.1
64.91335	0.1
65.03907	0.9
67.05486	0.7
69.07066	0.8
73.07318	0.1
79.05457	0.7
81.07031	2.2
83.08605	0.7
91.05459	13.0
92.09084	0.3
93.07017	2.2
95.04949	0.2
95.08584	4.1
97.06480	0.1
97.10114	0.1
105.07010	2.4
107.08572	3.2
107.40594	0.1
109.06477	0.2
109.10138	2.1
111.08047	0.3
117.06995	0.3
119.04915	34.3
119.08559	3.7
119.30612	0.1
120.05280	0.1
121.10107	2.7
123.08045	0.5
123.11658	0.6
125.09596	0.5
129.06911	0.2
131.08545	1.2
133.10117	3.3
135.08052	0.2
135.11664	1.4
137.09604	0.1
140.09523	0.1
143.08614	0.5
145.10104	3.6
147.04382	100.0
147.11665	1.8
148.04701	0.3
149.09491	0.2
149.13258	0.9
157.10078	0.6
159.11678	2.8
161.13200	1.6
163.14784	1.1
165.05409	0.2
169.10107	0.2
171.11662	0.5
173.13220	1.4
175.14784	1.9
177.12863	0.1
177.16356	1.8
183.11694	0.2
185.13199	0.5
187.14774	3.7
189.16353	3.5
189.55760	0.1
191.17923	0.9
193.15984	0.2
197.13329	0.2
199.14796	1.1
201.16344	3.8
203.14603	0.1
203.17940	1.7
205.15851	0.7
205.35213	0.1
213.16302	1.4
215.17928	1.7
217.15778	0.7
217.19623	0.1
219.17386	0.7
227.17940	0.2
229.19559	0.5
231.17433	0.3
233.18990	0.2
235.16840	0.2
239.17928	0.1
241.19435	0.5
247.16852	0.5
255.21021	0.1
261.18448	0.6
265.19403	0.1
329.24933	0.2
389.31866	1.3
407.32947	3.8
409.34592	0.3
425.34079	2.0
435.32498	1.9
453.33456	2.6
471.34613	2.8
617.38184	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	652.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
65.03932	0.9
67.05487	1.0
69.07057	0.7
71.51109	0.2
71.90675	0.2
79.05463	0.8
81.07044	1.9
83.08624	0.4
88.21576	0.2
91.05458	13.2
92.08655	0.3
92.09275	0.7
93.07021	2.5
95.04936	0.3
95.08585	5.2
97.06499	0.2
97.08392	0.2
97.10159	0.2
105.07003	3.0
107.08577	4.3
109.10113	2.5
111.08038	0.4
111.16405	0.2
117.07026	0.4
119.04916	37.9
119.08545	4.8
119.09380	0.2
121.06416	0.2
121.10104	2.8
123.08083	0.3
123.11710	0.4
125.09577	0.7
131.08554	1.7
133.10112	3.1
135.11647	1.5
143.08530	0.4
145.10110	3.0
147.04387	100.0
147.11644	2.2
148.04689	0.4
149.13213	1.0
157.10107	1.3
159.11646	3.0
161.13200	1.3
163.14771	1.1
165.05367	0.3
171.11618	0.4
173.13245	1.5
175.14819	2.1
177.09062	0.4
177.16309	1.3
185.13248	0.3
187.14783	2.7
189.16327	2.5
191.14236	0.3
191.17863	0.7
199.14734	1.1
201.16360	3.1
203.14259	0.7
203.17915	1.3
205.15887	0.8
213.16319	1.2
215.17931	1.6
217.15817	0.3
219.17357	0.7
221.15318	0.4
225.16165	0.3
235.16872	0.2
241.19473	0.2
244.89934	0.2
247.16806	1.0
261.18405	0.3
311.23502	0.3
389.31812	1.1
407.32986	5.0
425.34052	3.0
435.32394	1.6
453.33643	2.1
471.34561	3.0
486.50516	0.2
539.87299	0.2
617.38214	4.6
672.96466	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45980	0.4
55.05503	0.7
57.07029	0.5
60.41988	0.3
63.64721	0.5
63.82936	0.4
65.03935	0.5
67.05479	2.7
69.07036	0.8
79.05461	2.3
81.07031	5.3
83.08582	0.5
83.98540	0.4
86.65268	0.4
91.05449	11.5
93.07018	4.0
95.04939	0.6
95.08577	6.4
97.10119	0.7
102.51173	0.5
105.07000	6.5
107.04967	0.5
107.08581	6.4
109.10123	3.8
111.08042	0.5
112.76022	0.4
117.06976	0.8
119.04914	32.1
119.08540	6.2
121.02825	4.8
121.06438	0.6
121.10091	4.3
123.04391	0.7
123.08067	0.7
123.11641	0.8
131.08571	1.9
133.10110	6.4
135.11673	2.6
141.97401	0.4
145.10106	3.9
147.04387	100.0
147.11693	2.7
148.04738	1.1
157.10092	0.8
159.11700	4.9
161.13206	2.2
163.03810	1.0
171.11673	0.7
172.95195	0.7
173.13211	2.0
175.14775	4.3
177.16399	1.6
181.04962	0.9
187.14763	3.7
189.16348	2.0
193.15784	0.5
199.14737	0.6
201.16371	5.4
203.18126	0.8
213.16360	0.9
215.17932	2.0
304.85510	0.4
318.01266	0.5
319.31662	0.5
345.70850	0.5
389.31830	0.5
407.33035	5.1
425.33868	0.6
435.32321	1.8
453.33542	3.3
555.21027	0.5
611.24957	0.6
617.38141	10.4
652.41309	0.7
653.25867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03720	1.8
53.03941	34.6
54.81823	1.2
55.01846	1.4
55.05502	3.4
57.03139	1.4
57.03428	41.2
61.02901	9.6
67.01843	6.3
67.05474	3.3
69.03408	13.4
69.07035	6.2
71.04960	6.0
71.08619	1.6
71.92692	1.3
79.05431	1.5
81.03399	48.4
81.07046	2.7
83.08576	2.1
85.02901	15.3
92.08754	7.5
92.09386	2.8
93.07004	2.4
95.08556	5.2
97.02871	36.4
99.04433	13.6
103.03928	2.2
107.08566	2.5
109.02147	2.3
109.02869	69.3
109.10113	2.8
115.03962	1.8
117.05470	100.0
119.08555	2.0
121.10095	2.2
127.02961	2.1
127.03891	49.9
135.06471	5.3
159.06508	52.8
169.04922	3.4
187.05974	15.8
208.70607	1.5
219.56230	1.2
229.06900	3.0
247.08049	10.4
335.34003	1.4
353.26752	8.3
371.27832	54.9
394.95148	1.4
670.71570	1.4
681.82330	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.1
51.02364	0.2
53.03938	2.8
54.79845	0.1
55.01855	0.5
55.40398	0.1
57.03423	0.7
61.02908	0.5
63.09717	0.1
66.11296	0.1
67.05473	0.1
69.03410	5.9
71.01305	0.1
71.04971	0.9
73.02903	0.2
77.03918	0.5
79.04992	0.1
79.05469	5.2
81.03396	13.8
81.07021	0.1
83.01321	0.1
83.04951	0.2
85.02886	8.6
85.06532	0.6
87.04440	0.1
91.03865	0.1
91.05429	0.1
92.08826	0.2
95.04939	5.5
95.08579	0.1
97.02863	9.2
99.04428	1.9
101.02316	0.1
101.17353	0.1
105.03367	100.0
106.03714	0.4
107.08567	0.1
108.04468	0.3
109.02853	7.9
109.06546	0.1
111.04464	0.1
123.04395	11.3
127.03883	6.1
145.04926	1.9
160.36284	0.1
161.47147	0.1
163.05910	0.2
165.05428	0.3
181.04852	0.1
189.09036	1.2
207.06448	0.1
229.10582	0.1
231.06480	1.0
249.07510	19.9
267.08563	21.7
268.09042	0.1
274.55392	0.1
285.09576	0.1
382.01538	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.5
55.05502	4.0
57.07059	0.8
65.03917	0.7
67.05497	4.7
69.03420	0.8
69.07053	3.4
71.04998	0.6
71.28513	0.4
72.31578	0.4
79.05471	4.3
81.07040	10.2
83.04986	0.9
83.08593	2.1
85.06531	0.7
91.04884	0.6
91.05460	17.6
92.08990	3.3
93.07022	11.5
95.04929	1.9
95.08591	17.5
97.06511	1.1
103.05441	0.5
105.06361	0.8
105.07014	15.0
107.08577	18.3
109.06490	2.3
109.10151	8.7
111.08035	1.8
117.07006	2.5
119.04917	32.5
119.08556	27.9
121.06503	0.5
121.10115	12.0
123.08021	1.8
123.11679	3.1
125.09621	0.7
129.06982	2.1
130.07762	0.5
131.08539	10.2
133.10112	15.8
135.08006	2.1
135.11681	5.1
137.09633	0.8
142.07784	2.5
143.08540	5.1
144.09259	0.7
145.10103	19.3
147.04388	100.0
147.11667	9.7
148.04762	1.0
149.09601	0.9
149.13231	3.4
151.11145	0.5
153.09032	0.8
155.08476	0.8
156.09351	0.8
157.10107	6.7
158.10822	0.5
159.08141	0.6
159.11664	16.2
161.09499	0.7
161.13239	5.1
163.07465	0.7
163.11118	1.7
163.14795	3.3
165.05403	1.1
167.10704	0.5
169.10109	2.7
170.10893	0.7
171.11633	5.5
173.09651	0.6
173.13234	8.9
175.11168	1.1
175.14804	7.2
177.09082	2.3
177.12712	1.7
177.16356	3.7
181.10033	0.8
183.11641	2.4
185.13258	4.1
187.14771	12.6
189.12788	0.7
189.16342	9.9
190.16783	0.5
191.14221	0.8
191.17986	1.8
195.11617	0.7
197.13216	2.4
199.14757	5.3
201.16362	9.8
203.14223	0.8
203.17955	4.1
205.15767	0.8
207.13705	0.7
209.13243	1.0
211.14783	2.4
213.16431	2.9
213.93414	0.5
215.14384	0.6
215.17934	3.6
217.15839	2.2
221.13228	0.5
221.15340	2.2
225.16475	0.6
227.17886	0.8
228.29601	0.5
229.15849	1.9
229.19510	1.8
231.17340	1.1
233.15378	0.8
235.16895	3.2
237.16399	0.8
239.17920	0.9
241.19470	1.1
247.16866	4.3
253.19490	0.6
261.18585	0.8
299.20013	0.6
327.23309	0.7
351.26959	0.6
387.30490	2.0
395.29272	2.2
405.31528	5.8
421.30893	2.3
423.32547	9.8
433.31018	2.2
441.33469	2.4
451.32135	6.3
469.33066	3.5
651.36566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.6
63.83998	1.3
67.05501	5.2
69.07040	2.7
79.05487	2.4
81.07037	12.7
82.85773	1.5
83.08591	1.7
91.05464	17.9
92.58123	1.3
93.07029	14.4
95.04970	2.5
95.08594	13.2
105.07027	12.3
107.04956	1.6
107.08570	15.6
109.06496	1.8
109.10133	9.2
119.04922	38.3
119.08556	26.0
121.10127	13.2
123.08067	2.2
131.08539	10.8
133.10098	13.9
135.11687	2.3
143.08559	5.5
145.10107	17.4
147.04401	100.0
147.11673	6.6
157.10088	8.5
159.11653	14.7
161.13281	6.3
163.03856	8.3
169.10196	2.5
171.11668	6.6
173.13269	6.5
175.14842	3.5
177.09058	1.4
185.13203	1.6
187.14757	13.1
189.16354	9.4
199.14781	3.0
201.16315	8.2
213.16383	2.9
215.17889	5.4
227.17952	1.6
239.47345	1.5
261.18509	1.5
405.31253	2.7
407.32990	2.6
423.32501	2.3
439.31851	8.3
451.32031	3.1
469.32935	8.8
487.34320	1.7
509.31445	1.8
633.37207	2.7
651.35150	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.5
55.05502	4.0
57.07059	0.8
65.03917	0.7
67.05497	4.7
69.03420	0.8
69.07053	3.4
71.04998	0.6
71.28513	0.4
72.31578	0.4
79.05471	4.3
81.07040	10.2
83.04986	0.9
83.08593	2.1
85.06531	0.7
91.04884	0.6
91.05460	17.6
92.08990	3.3
93.07022	11.5
95.04929	1.9
95.08591	17.5
97.06511	1.1
103.05441	0.5
105.06361	0.8
105.07014	15.0
107.08577	18.3
109.06490	2.3
109.10151	8.7
111.08035	1.8
117.07006	2.5
119.04917	32.5
119.08556	27.9
121.06503	0.5
121.10115	12.0
123.08021	1.8
123.11679	3.1
125.09621	0.7
129.06982	2.1
130.07762	0.5
131.08539	10.2
133.10112	15.8
135.08006	2.1
135.11681	5.1
137.09633	0.8
142.07784	2.5
143.08540	5.1
144.09259	0.7
145.10103	19.3
147.04388	100.0
147.11667	9.7
148.04762	1.0
149.09601	0.9
149.13231	3.4
151.11145	0.5
153.09032	0.8
155.08476	0.8
156.09351	0.8
157.10107	6.7
158.10822	0.5
159.08141	0.6
159.11664	16.2
161.09499	0.7
161.13239	5.1
163.07465	0.7
163.11118	1.7
163.14795	3.3
165.05403	1.1
167.10704	0.5
169.10109	2.7
170.10893	0.7
171.11633	5.5
173.09651	0.6
173.13234	8.9
175.11168	1.1
175.14804	7.2
177.09082	2.3
177.12712	1.7
177.16356	3.7
181.10033	0.8
183.11641	2.4
185.13258	4.1
187.14771	12.6
189.12788	0.7
189.16342	9.9
190.16783	0.5
191.14221	0.8
191.17986	1.8
195.11617	0.7
197.13216	2.4
199.14757	5.3
201.16362	9.8
203.14223	0.8
203.17955	4.1
205.15767	0.8
207.13705	0.7
209.13243	1.0
211.14783	2.4
213.16431	2.9
213.93414	0.5
215.14384	0.6
215.17934	3.6
217.15839	2.2
221.13228	0.5
221.15340	2.2
225.16475	0.6
227.17886	0.8
228.29601	0.5
229.15849	1.9
229.19510	1.8
231.17340	1.1
233.15378	0.8
235.16895	3.2
237.16399	0.8
239.17920	0.9
241.19470	1.1
247.16866	4.3
253.19490	0.6
261.18585	0.8
299.20013	0.6
327.23309	0.7
351.26959	0.6
387.30490	2.0
395.29272	2.2
405.31528	5.8
421.30893	2.3
423.32547	9.8
433.31018	2.2
441.33469	2.4
451.32135	6.3
469.33066	3.5
651.36566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27382	0.5
53.54897	0.5
55.05506	2.8
56.98142	0.5
58.13071	0.5
65.03941	0.7
67.05500	1.3
69.07066	1.5
72.13252	0.7
73.40501	0.5
74.00495	0.5
79.05482	3.1
81.07041	4.7
83.04930	0.8
83.08580	0.8
91.05466	15.5
92.09203	0.7
93.07041	5.5
95.08588	9.8
105.07001	7.7
107.08581	8.1
109.10112	4.8
111.08120	0.8
117.06998	1.2
119.04925	38.2
119.08572	11.8
121.10142	5.7
123.08078	0.8
123.11677	0.8
128.06248	0.6
131.08516	4.8
133.10103	8.8
135.11705	3.2
139.37973	0.6
143.08545	2.7
145.10127	8.7
147.04391	100.0
147.11690	5.3
149.13292	0.8
156.09358	0.7
157.10143	4.2
159.11676	7.4
161.13217	3.5
163.14803	1.4
169.10172	0.9
171.11690	1.1
173.13217	3.1
175.14784	4.1
185.13225	1.1
187.14793	6.2
189.16386	3.6
191.18025	0.9
199.14824	1.1
201.16411	3.3
203.14209	0.7
203.17902	1.5
213.16364	0.8
215.17886	1.1
217.15829	0.8
221.15300	0.7
229.19508	0.8
235.16901	1.4
247.14526	0.6
247.16888	2.8
279.20981	0.6
309.22589	0.6
319.24643	0.7
379.39575	0.7
387.30817	0.9
395.29218	0.7
405.31451	2.5
421.31192	0.9
423.32312	2.8
433.31265	1.1
441.33652	0.9
451.31946	2.8
469.32709	1.1
640.32544	0.7
651.40491	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	651.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.2
55.01856	0.6
55.05500	2.2
57.03429	40.8
57.07041	0.5
61.02912	7.9
67.01851	1.5
67.05496	3.2
69.03130	0.4
69.03418	6.2
69.07056	4.2
70.86504	0.4
71.04966	2.1
73.02880	0.4
75.04463	0.4
79.05477	1.7
80.20330	0.3
81.03397	20.4
81.07047	4.7
83.08573	2.7
85.02890	5.7
85.06561	0.4
91.05439	1.9
91.70432	0.4
92.09187	2.4
93.07017	2.9
95.04929	0.4
95.08581	5.8
97.02270	0.5
97.02873	10.2
97.06473	0.4
97.10148	2.0
99.04430	6.8
103.03943	0.8
105.07022	1.5
107.08591	1.9
109.02861	29.6
109.06436	0.4
109.10176	2.7
117.05470	100.0
119.04927	0.6
119.08572	2.2
121.10133	1.7
123.11666	0.8
127.03890	18.8
127.35602	0.4
133.10135	2.2
135.11691	0.8
137.09552	0.4
137.13219	0.4
143.08519	0.5
145.04936	0.8
145.10107	0.9
147.04379	1.5
147.11700	0.6
157.09959	0.4
159.05206	0.9
159.06503	21.0
169.04926	3.4
174.08722	0.3
187.05952	7.2
217.19469	0.6
220.64215	0.4
229.05028	0.4
229.07095	2.5
247.08070	8.6
253.21785	0.6
327.25174	0.6
369.26273	8.4
387.27307	3.2
489.11816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45343	0.8
51.81019	0.9
51.99266	0.8
53.03936	19.1
55.01865	2.0
55.05503	11.1
55.23830	0.9
57.03426	35.8
57.07074	1.4
60.51213	1.0
61.02912	10.3
67.01859	3.8
67.05493	15.2
68.20481	0.8
68.72588	0.8
69.03403	10.9
69.07053	13.9
71.04968	4.0
72.07842	1.0
79.05471	2.5
81.03397	40.8
81.07040	19.6
83.08614	7.8
85.02902	9.6
85.06575	0.9
91.05480	7.2
92.08719	1.6
92.09210	1.2
92.64715	1.0
93.07033	6.7
95.04908	1.0
95.08579	20.5
97.02867	19.4
97.06519	1.4
97.10143	5.7
99.04443	12.1
103.03935	1.9
105.03400	1.5
105.06997	1.8
107.08585	6.5
109.02862	44.2
109.10145	9.7
111.11716	1.6
115.56629	1.0
117.05468	84.7
119.04910	4.5
119.08548	8.2
121.09307	1.0
121.10105	6.5
123.11684	4.1
127.03889	37.0
131.08572	1.3
133.10109	7.6
135.11694	2.5
137.09596	1.1
145.04858	1.2
145.10077	2.2
147.04387	11.2
147.11649	5.1
158.46529	1.1
159.06491	100.0
169.04924	1.9
175.14751	1.4
185.13303	1.1
187.05994	15.2
187.14937	1.9
189.16327	1.1
201.16312	1.2
217.19351	1.5
229.07018	4.6
229.21568	2.1
247.08110	20.5
271.22574	1.3
309.24261	1.4
369.26288	32.2
387.27444	11.4
512.01624	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2807
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
55.05491	0.5
56.70620	0.4
57.07079	0.7
67.05481	0.9
67.50618	0.5
67.77160	0.5
74.46352	0.5
79.05471	1.1
80.82025	0.6
81.03407	0.6
81.07051	1.4
82.61977	0.5
91.05476	0.9
92.09133	3.7
93.07066	0.9
95.08627	2.4
105.07013	1.0
107.08566	1.0
108.70148	0.5
119.08583	1.3
121.40691	0.6
123.74073	0.5
133.10129	3.1
135.11839	0.6
175.14793	0.7
357.27390	0.6
374.16364	0.7
377.17670	0.8
386.15680	1.0
386.34076	0.6
391.19235	1.0
392.20139	1.3
399.16217	1.0
400.16940	3.3
401.17484	4.6
405.20905	0.9
406.21191	0.7
407.22369	3.9
413.17740	3.0
414.18463	4.4
415.19244	11.5
416.19907	2.3
417.21027	0.9
419.22733	0.9
425.17123	0.8
427.19492	2.5
428.20520	4.0
429.21112	10.6
430.21600	3.5
431.18094	2.1
433.20349	0.8
434.21017	1.0
435.21716	2.2
439.19580	0.7
441.17004	1.2
442.17853	2.6
443.18237	3.3
443.22586	4.5
444.18814	5.7
445.20178	4.0
447.17975	1.1
456.19385	1.1
457.20547	7.1
458.21204	4.4
459.17639	1.1
461.19431	0.9
462.20148	0.6
471.22296	7.2
472.22968	5.5
473.19476	5.8
474.20551	3.0
475.17657	0.9
485.19745	2.9
486.20313	5.7
487.21268	2.7
488.22061	2.3
489.18491	1.0
489.23856	0.8
490.19513	4.0
499.21265	12.2
500.22079	2.7
501.19141	0.6
503.24353	3.7
516.21686	0.9
517.22278	7.8
521.25513	0.9
527.20813	2.5
528.21729	1.0
531.23938	13.0
543.23999	2.4
549.25061	6.5
559.23328	92.7
560.23517	1.0
587.22797	15.3
591.26019	3.6
592.26361	0.8
619.25433	100.0
620.25140	0.7
651.28015	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	651.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92812	0.3
55.01838	0.4
55.67014	0.4
61.02883	1.0
69.03363	0.9
69.07037	1.5
69.53427	0.3
76.15681	0.4
77.00874	0.5
78.10862	0.4
81.03322	0.6
84.08066	0.4
85.02433	0.5
85.02885	7.1
85.73427	0.4
97.02806	2.1
97.19125	0.4
98.97520	0.5
99.04372	0.4
101.00821	0.8
101.11303	0.4
104.61980	0.4
106.06485	1.9
110.67857	0.4
119.01886	6.1
127.03860	1.0
129.03098	5.1
131.01784	1.9
134.05936	0.8
135.04314	2.2
137.02863	0.6
143.01857	1.5
145.03433	0.5
145.04861	0.8
147.04332	1.6
155.01805	0.8
157.01363	0.6
157.02556	10.6
158.08051	1.6
160.02039	0.4
161.02817	2.8
163.03850	0.7
166.04869	2.4
173.02858	3.6
174.05124	2.1
175.02217	0.5
175.03607	13.5
183.04855	1.6
185.02736	0.6
185.04156	7.3
193.03259	0.5
203.05249	40.8
207.03281	0.4
207.05008	4.9
209.06447	1.7
211.06406	0.4
215.05441	0.4
219.04877	1.9
221.04803	2.4
221.06708	7.5
225.05931	2.3
233.06552	13.5
235.04442	3.3
237.05983	0.7
247.04349	1.7
251.07379	2.1
253.05556	4.3
261.05896	0.5
265.05472	0.4
271.06458	0.4
277.05280	2.0
291.06891	0.7
295.06332	1.6
309.07898	2.7
336.10452	39.6
337.08633	100.0
338.08734	0.7
355.08392	0.9
369.08347	0.5
397.09186	0.5
441.00403	0.5
453.17102	0.5
468.66727	0.4
489.12390	10.3
505.08008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56109	0.1
55.05485	0.2
56.05024	0.3
57.07049	0.2
58.06586	0.3
60.07861	0.3
60.08149	8.2
67.05482	1.2
71.07346	3.5
71.96751	0.1
81.07037	0.4
86.09684	41.6
87.16406	0.2
91.05431	0.2
92.09138	1.7
92.10323	0.1
93.07016	0.3
95.08574	0.4
98.98439	3.1
104.10725	3.1
109.10155	0.9
119.08586	0.3
124.99969	32.5
133.10060	0.3
143.01006	0.3
158.42352	0.2
175.14847	0.3
184.07294	100.0
185.07745	0.2
247.36563	0.2
275.19409	0.2
300.79129	0.2
393.69891	0.2
650.43762	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	650.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.0
55.05496	8.9
55.39951	1.4
57.07079	3.6
59.00029	1.8
67.05485	15.7
69.07049	20.6
71.05009	1.8
74.72925	1.7
79.05477	17.6
81.03407	2.1
81.06612	2.0
81.07035	19.1
83.08580	2.5
91.05467	24.2
92.08811	5.8
93.07030	25.7
95.04967	3.0
95.08586	36.0
99.08102	3.3
105.07018	70.8
107.08574	43.5
109.06498	2.3
109.10151	8.7
113.09660	2.8
117.06969	2.6
119.08559	84.9
119.17132	2.2
121.10168	8.5
123.11701	4.5
128.29295	2.2
131.08577	3.8
133.10101	91.3
135.11659	46.7
137.09592	4.0
145.10168	3.9
147.11688	12.3
157.10143	2.1
173.13219	2.7
175.14789	100.0
193.15962	4.2
194.99135	2.0
197.28581	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81516	0.7
55.05497	5.6
57.03454	0.7
57.07061	4.4
65.49483	0.8
66.97545	0.9
67.05489	5.3
69.07050	5.7
79.05463	4.5
81.03465	0.9
81.07044	11.1
83.08601	4.1
89.03894	7.2
91.05474	5.4
92.08747	0.9
92.09227	0.9
93.07027	13.1
95.04970	1.1
95.08591	18.9
105.07013	11.9
106.93255	0.8
107.08576	19.6
109.06523	1.2
109.10137	14.0
117.03356	26.5
117.06963	1.7
119.08556	19.7
121.06548	1.1
121.10133	17.8
123.08088	1.1
123.11697	6.0
131.08548	4.8
133.10120	18.4
135.04407	4.5
135.11665	9.2
137.13226	1.8
140.85730	1.1
143.08559	1.8
145.02834	69.4
145.10054	8.6
147.11665	12.0
149.05992	9.3
149.13280	6.2
157.10149	1.7
159.11684	8.4
161.09563	1.1
161.13284	5.3
163.03888	4.0
163.14822	8.0
173.13301	4.6
175.14798	4.5
177.05434	100.0
177.16377	5.1
178.05827	1.1
187.14752	7.3
189.16316	10.0
191.17920	4.4
195.06491	12.5
201.16328	8.2
203.17894	9.3
215.17958	6.4
216.85356	1.0
217.19479	1.3
223.16763	1.1
229.15889	0.9
241.19405	1.2
247.16830	1.3
300.57809	1.0
391.33038	1.2
409.34512	4.9
427.35703	1.2
437.33997	6.2
455.35117	4.4
472.11981	1.1
479.25601	1.0
628.06323	1.2
631.38971	1.5
649.36938	1.3
669.35168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50700	1.4
55.05498	2.5
67.05485	6.8
69.07041	3.4
78.67627	1.6
79.05450	6.1
81.07052	14.7
83.04992	2.7
91.05468	15.8
93.07030	14.1
95.08583	9.0
97.06522	1.8
105.07023	14.8
107.08577	12.5
109.06522	3.4
109.10146	3.8
117.06969	2.2
118.01111	1.9
119.04924	37.9
119.08579	17.4
121.10132	7.8
128.06250	1.9
129.07005	1.8
131.08540	13.7
133.10107	11.7
135.11725	3.8
143.08521	12.6
145.10110	17.7
147.04388	100.0
147.11665	8.1
155.08504	2.0
157.10126	9.6
159.11682	13.5
161.13205	4.1
165.05519	2.4
169.10097	3.8
171.11652	8.1
173.13246	8.2
175.14754	6.8
183.11568	2.4
185.13173	12.4
187.14787	8.7
197.13187	3.1
199.14822	10.2
201.16463	2.0
216.14735	1.9
221.13545	2.4
227.17792	2.1
315.82465	1.9
403.29837	2.9
421.30896	6.4
431.29294	3.0
449.30374	2.3
467.31714	2.8
556.05182	2.1
649.39813	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	649.3017
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
67.05510	2.0
71.07720	1.2
75.97745	1.2
78.03371	1.3
79.05502	1.6
81.07001	1.5
86.42036	1.2
92.08980	8.4
95.08613	1.6
115.86084	1.5
119.08530	1.5
131.08533	1.8
312.75226	1.5
403.67111	1.6
417.20404	2.3
431.18225	5.0
433.23953	2.1
443.18530	1.6
444.19083	1.8
445.20230	7.8
459.21732	7.8
460.22598	6.3
461.23273	2.3
473.19315	5.2
503.24136	6.5
547.27069	13.7
559.42249	1.6
561.24994	2.5
589.28070	28.6
649.30054	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	648.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	1.1
53.03934	0.9
55.01843	1.0
55.05502	7.7
57.03418	1.2
57.07058	5.0
59.04977	0.8
61.02935	0.6
63.51260	0.7
67.05488	12.2
69.03413	76.2
69.07047	9.8
71.04967	1.2
72.50784	0.5
75.04454	5.7
79.05465	11.8
81.03393	7.0
81.07034	16.3
83.04955	7.6
83.08591	3.2
85.02888	1.5
85.06517	5.3
91.05454	11.6
92.08885	1.4
93.07021	14.5
95.04942	3.1
95.08581	20.7
96.34763	0.7
97.02858	3.0
97.06514	7.7
97.10135	1.0
105.07009	13.4
107.04920	1.1
107.08572	28.9
109.02843	1.3
109.06494	9.3
109.10140	7.1
111.08041	6.3
117.06989	3.6
119.07891	0.7
119.08570	8.5
121.06465	4.7
121.10120	22.1
123.08042	5.8
123.11665	8.5
125.09605	34.8
129.06972	3.0
131.08551	15.9
133.10092	17.3
135.08020	19.6
135.11646	13.7
143.08516	3.7
144.09305	1.2
145.10091	10.6
147.08109	0.8
147.11668	5.4
149.09599	11.1
149.13235	8.4
151.11113	0.9
153.09058	11.0
157.10051	1.0
158.10895	9.3
159.11676	2.7
161.05983	0.7
161.13153	0.7
163.11143	4.7
163.14771	6.3
165.12743	6.9
171.11693	1.6
173.13214	37.2
174.13544	0.8
176.11922	3.4
185.13173	0.8
191.14265	100.0
209.15326	93.7
210.15559	1.0
256.17773	0.7
261.22067	1.0
303.23074	1.0
369.23984	1.4
387.25153	1.0
405.26212	1.6
648.45624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.2
53.03931	5.5
53.56645	0.8
55.01863	1.6
55.05505	9.6
57.03434	7.4
57.07061	1.4
57.76954	0.9
59.95893	0.8
61.02914	9.8
65.03886	0.8
67.05486	24.9
69.03410	18.6
69.07050	18.6
71.04973	1.8
73.02898	5.9
79.05476	21.8
81.03403	10.0
81.07037	63.8
83.04961	1.2
83.08606	6.2
85.02888	100.0
87.04440	2.5
91.03953	5.0
91.05465	18.4
92.09007	1.5
93.06412	1.4
93.07018	48.6
95.04941	4.2
95.08578	51.0
97.02866	22.9
97.06526	2.2
97.10175	4.2
99.04429	5.2
103.03944	1.1
105.03383	5.5
105.07012	44.5
107.04958	1.3
107.08575	55.7
109.02862	10.9
109.06503	2.4
109.10143	33.9
109.76305	1.1
111.08060	0.9
115.03893	1.4
117.07032	4.2
119.08559	45.0
121.10120	30.5
123.08072	1.5
123.11678	12.6
127.03883	19.8
129.06949	1.6
131.08533	11.8
133.06491	1.1
133.10121	22.6
135.08069	1.1
135.11665	13.8
143.08522	1.4
144.09363	1.1
145.04922	25.0
145.10112	17.8
147.04385	1.6
147.11681	23.1
149.13234	15.7
157.10100	1.8
159.11659	20.7
161.13234	16.0
163.05992	6.8
163.14757	9.0
165.12769	1.1
167.36526	0.9
167.56114	0.9
173.13228	8.7
175.14777	12.2
177.16360	3.9
187.14781	6.5
189.16362	6.0
201.16385	10.1
203.17851	3.6
203.28854	0.9
208.41882	1.1
215.17899	14.3
257.22375	1.1
271.24142	25.7
289.25137	4.0
460.64175	1.2
503.37384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55928	0.9
55.05489	1.1
57.07059	1.0
67.05489	1.1
79.05478	1.9
81.07038	5.9
82.88655	1.1
91.05488	2.0
92.08999	9.1
93.07032	2.0
95.04955	1.9
95.08588	2.1
100.73857	1.0
105.07018	4.9
105.58327	1.0
107.08611	2.5
119.08589	2.4
131.08614	1.2
133.10123	1.8
157.10069	1.6
163.11165	1.8
389.18005	1.4
392.37241	1.1
403.19040	2.4
417.20734	1.9
419.22150	4.9
431.18176	2.1
445.20062	24.2
446.21118	6.7
447.21811	2.7
459.21616	2.4
475.21426	1.6
493.68192	1.3
501.21506	6.8
502.22183	9.3
505.22549	1.9
514.22375	2.0
533.25409	15.1
560.24817	1.6
561.24731	2.2
588.25989	25.3
592.26691	1.9
648.28076	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	648.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
53.68213	0.1
55.01866	0.2
55.99266	0.1
57.03411	0.1
63.02342	0.1
67.01853	0.3
67.05490	0.2
69.03422	0.7
69.07040	0.1
71.04965	0.1
79.05473	0.4
80.08895	0.1
81.03401	1.5
81.07039	0.2
81.07493	0.1
85.02882	0.6
86.09692	0.1
89.03901	1.9
91.05453	0.5
92.08910	0.1
93.07027	0.2
95.04938	0.6
95.08572	0.1
97.02864	2.2
97.06511	0.2
99.04424	0.7
103.03902	0.1
103.05387	0.1
103.91921	0.1
105.03368	0.4
105.07052	0.1
106.02902	0.1
107.04941	1.0
107.08631	0.1
109.02871	2.6
109.10136	0.2
117.03354	3.5
117.04154	0.2
119.08630	0.1
121.10106	0.2
123.04443	0.2
124.03956	0.4
127.03900	2.7
127.07510	1.1
133.02826	0.1
135.04398	10.3
137.05960	0.4
145.02831	10.1
146.03120	0.1
147.04390	0.4
149.13219	0.1
155.07050	0.1
163.03877	100.0
164.04193	0.8
167.07021	1.1
168.07347	0.4
169.04950	0.5
177.05432	0.2
181.04977	0.1
183.06502	0.2
187.05949	0.3
201.09123	0.2
202.10622	0.2
223.07552	0.1
229.07024	0.4
245.29846	0.1
247.08084	0.1
255.10048	0.1
266.47745	0.1
325.09122	9.4
367.10220	0.8
401.12335	0.1
433.14737	0.1
589.77570	0.1
600.20770	0.2
627.59448	0.1
658.79834	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61693	0.1
53.00288	0.1
53.03933	0.2
54.82241	0.1
57.03425	0.1
63.02355	0.1
63.05485	0.1
64.34166	0.1
67.01850	1.0
69.03410	0.6
70.06563	0.1
71.04959	0.2
79.05458	0.5
81.03397	1.5
81.07015	0.1
85.02881	0.5
89.03893	2.2
89.04385	0.1
91.05453	0.1
92.08660	0.1
92.09164	0.1
93.07037	0.2
94.45344	0.1
95.04945	0.2
97.02871	2.7
99.04427	0.6
105.03358	0.2
105.07032	0.1
107.04941	1.0
107.08551	0.2
107.57735	0.1
109.02141	0.2
109.02858	4.2
117.03345	3.8
127.03890	3.6
131.08571	0.1
133.10046	0.1
135.04390	11.7
136.04758	0.1
145.02826	11.2
147.04378	0.3
163.03870	100.0
164.04173	0.8
169.04901	0.6
181.04929	0.5
231.15598	0.1
289.06760	0.6
325.09106	8.0
409.11108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70557	3.7
54.81830	3.8
54.83891	3.7
55.05497	32.6
57.03426	22.1
57.07071	6.0
67.05492	93.7
69.07063	34.8
79.05482	100.0
80.36194	4.0
81.07043	91.2
83.04962	4.4
83.08606	15.1
91.05459	90.0
92.09112	6.5
92.55247	4.3
93.07034	97.8
93.58218	4.7
95.04958	7.5
95.08607	53.3
97.10143	4.0
105.07014	100.0
107.08592	40.8
109.10151	10.2
111.08066	5.8
117.07010	23.3
119.08559	57.6
121.10145	34.0
121.97298	4.3
123.11699	5.3
129.07018	7.6
131.08556	40.0
133.10126	50.6
135.11681	21.3
143.08580	9.3
145.09131	4.8
145.10098	33.7
147.11691	38.0
149.13165	14.9
157.10089	5.5
159.11678	20.9
161.13260	23.5
171.11642	5.6
173.13306	7.4
175.14819	5.0
185.13403	5.1
225.55000	4.1
226.70821	4.5
241.19438	14.3
259.20529	36.9
261.22263	5.7
333.24246	31.0
335.25668	47.6
359.01059	3.9
611.46698	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89473	1.2
54.63088	1.8
55.05497	8.5
57.07069	30.2
59.18238	1.4
67.05499	17.4
68.93919	1.7
69.07040	9.6
71.08623	14.1
79.05473	11.2
81.03399	45.2
81.07032	16.4
83.04951	1.8
83.08614	15.7
83.29411	1.4
85.10161	6.8
91.05454	10.1
93.07035	6.7
95.04940	14.4
95.08580	13.9
97.02823	1.5
97.10123	2.3
105.06988	10.0
107.04968	3.5
107.08588	2.3
109.10128	8.2
111.08014	1.8
113.01400	1.4
119.08563	11.4
121.10137	7.1
129.06985	3.6
131.08545	3.9
133.10115	3.0
147.08098	2.2
147.11673	2.8
149.09589	2.2
159.11646	2.2
166.92670	1.5
193.12135	2.8
236.16405	7.6
373.29437	1.6
468.02359	1.8
505.38757	100.0
505.46262	3.2
508.18460	2.1
577.92078	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41414	0.3
53.03928	0.4
55.05484	1.5
56.05024	0.4
57.03412	0.6
57.07056	0.3
58.06578	0.6
59.35337	0.3
60.08152	14.5
61.02887	0.4
61.37953	0.3
67.05485	2.2
69.03425	2.6
69.07044	1.7
70.06570	0.6
71.05000	0.5
71.07352	5.0
73.02911	0.4
79.05466	2.0
81.03382	2.2
81.07029	2.8
83.04977	0.3
83.08607	0.5
85.02879	3.1
85.06534	0.4
86.09692	39.4
91.05467	2.2
92.08929	1.7
93.07035	2.4
95.01299	6.1
95.04936	1.8
95.08580	1.9
97.02912	2.5
97.06515	0.5
98.98448	4.1
99.04443	0.4
104.10728	100.0
105.03375	5.2
105.06995	1.8
107.04948	1.3
107.08575	2.0
109.02871	1.5
109.06490	0.8
109.10146	1.6
110.07196	0.5
111.08065	0.5
119.04924	1.2
119.08558	1.5
121.06446	0.6
121.10145	2.0
123.04436	1.4
123.08067	0.6
124.99986	22.7
125.09647	0.4
127.03876	0.8
131.04868	0.5
131.08705	0.3
133.10124	0.6
135.08049	0.7
137.05959	4.2
137.09683	0.5
145.02853	0.7
145.10170	0.8
147.04381	6.9
147.11702	1.5
151.03984	0.4
158.95828	0.3
159.11699	0.4
163.07536	0.4
165.05424	3.6
167.07043	1.5
177.05434	1.6
181.08492	0.4
184.07307	36.8
207.06491	0.4
249.07535	0.4
267.08746	0.4
269.17642	0.4
305.17538	2.0
327.12521	0.3
484.33948	9.9
595.31921	0.3
646.39209	31.6
647.39423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53465	0.2
52.59182	0.2
53.03957	0.2
53.55629	0.2
55.05495	0.8
56.05019	0.5
57.03417	0.5
58.06579	1.0
60.08151	15.6
61.02888	0.3
64.67190	0.2
67.05484	0.5
68.56430	0.2
69.03414	1.5
69.07039	0.8
70.06553	1.0
71.04985	0.2
71.06995	0.3
71.07358	5.7
73.02872	0.3
76.33751	0.2
79.05457	0.9
81.03390	1.1
81.07035	2.2
83.04971	0.5
83.08588	0.3
85.02889	1.8
85.06549	0.3
86.09688	39.3
91.05459	0.8
92.09225	0.2
93.07027	1.5
95.01308	1.0
95.04956	0.5
95.08569	1.6
97.02878	1.3
97.06465	0.3
98.98441	3.8
99.04419	0.4
104.10722	100.0
105.03376	2.4
105.07011	1.4
105.11081	0.4
107.04902	0.3
107.08598	1.4
109.02847	0.5
109.06483	0.3
109.10109	1.1
110.07138	0.3
119.04929	0.5
119.08571	0.4
121.10118	1.2
123.04372	0.3
123.11705	0.5
124.99976	25.2
127.03881	0.4
131.08537	0.4
133.06488	0.2
133.10106	0.4
135.04411	0.3
135.08064	0.3
135.11707	0.2
137.05931	0.8
143.00990	0.4
145.02856	0.4
145.04984	0.3
145.10042	0.2
147.04379	4.2
147.11632	0.4
151.07605	0.2
165.05447	0.5
167.06969	0.4
167.14342	0.2
177.05391	0.5
184.07301	35.5
224.08336	0.2
249.07735	0.3
342.53568	0.2
357.94940	0.2
466.32684	0.3
484.33923	12.1
628.39172	0.2
646.39130	33.6
647.39532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36002	0.3
52.93764	0.3
53.03936	2.2
55.01866	2.8
55.93512	0.4
57.03432	6.3
61.02919	10.3
69.03419	19.3
71.04968	2.0
73.02906	4.8
79.05479	8.8
81.03409	7.1
83.01350	0.6
83.06108	0.6
84.04494	0.5
84.08144	0.5
85.02895	100.0
87.04449	2.8
91.03936	6.6
92.09169	0.9
93.04446	0.5
95.04952	0.5
97.02876	28.2
98.97670	0.4
99.04443	5.8
106.06544	5.3
107.04947	12.9
107.06882	0.6
109.02860	7.7
110.07151	6.1
111.07529	0.8
114.36136	0.4
115.03893	0.9
127.03899	23.8
129.10208	0.4
134.06006	6.4
134.46654	0.4
135.04402	47.3
145.04945	36.3
152.07060	2.5
153.05496	1.4
153.07451	0.6
160.07268	0.4
163.03920	0.6
163.05988	15.5
166.04961	2.4
170.08090	1.0
180.08733	1.7
237.02795	0.8
251.09178	0.5
261.07538	0.9
279.08609	2.2
297.09790	0.5
315.10712	13.4
316.61240	0.4
331.13580	0.8
332.13446	4.5
336.10547	0.9
611.73553	0.4
645.22516	0.5
646.22992	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81871	1.2
57.07053	2.0
60.97507	1.2
65.42411	1.2
67.05482	2.0
71.08601	2.4
73.24785	1.2
74.76367	1.1
76.15560	1.3
80.49158	1.4
86.37991	1.2
92.08394	1.3
92.08965	6.0
125.20813	1.3
316.57581	1.4
333.20407	8.0
389.22964	1.8
444.58231	1.6
533.05029	1.5
592.49078	1.4
595.47076	1.4
645.46857	100.0
646.47327	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
57.03402	0.4
59.95248	0.4
67.05486	0.4
77.93713	0.3
81.03394	0.4
81.07030	0.7
89.53777	0.3
92.08836	0.3
95.08630	0.4
105.03394	1.2
108.20082	0.3
110.81072	0.4
117.05475	0.6
165.09085	1.3
229.68260	0.4
283.18808	0.6
287.07330	5.6
399.23389	0.6
469.23758	0.4
529.26123	4.2
606.36163	0.5
645.30829	100.0
646.30981	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77076	0.7
51.25510	0.6
54.38244	0.6
55.05497	3.1
57.03426	1.7
67.05496	4.7
69.03432	2.6
69.07037	0.7
79.05479	1.8
81.03410	2.0
81.07039	4.3
83.04967	0.8
83.08600	0.9
85.02880	1.0
91.05448	1.3
92.08951	1.4
93.07023	1.5
95.04963	1.0
95.08585	3.5
97.02909	2.0
97.06487	1.0
99.04439	0.9
104.42819	0.8
105.03370	4.4
105.07003	3.6
107.08610	1.6
109.06524	1.2
109.10162	3.8
119.08565	1.5
121.10156	1.0
123.04446	0.9
123.11695	1.0
127.37769	0.9
129.06950	0.9
133.10091	1.0
141.92941	0.8
147.15280	0.8
151.07581	1.6
157.10165	0.8
159.06593	1.2
165.09053	7.9
166.09488	3.5
181.10085	0.9
219.01695	1.2
227.05273	1.6
237.02872	3.8
245.06271	12.3
261.74060	1.0
266.70288	0.8
279.03928	3.1
283.18753	9.2
487.25073	23.5
559.81244	1.0
585.28296	6.4
645.30804	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	644.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34962	3.3
55.05500	22.1
57.03411	23.3
57.07080	3.9
67.05493	64.7
69.07045	16.1
69.63017	3.8
71.42790	4.1
79.05473	48.8
81.03410	3.7
81.07047	61.3
83.04959	7.4
83.08615	3.9
85.06527	5.3
89.06006	6.2
91.05460	45.5
92.08931	8.4
93.07026	52.6
95.04939	5.1
95.08562	42.5
97.71568	4.3
99.34726	3.7
105.07030	37.2
107.04912	8.0
107.08561	29.7
109.06502	5.1
109.10132	17.5
117.07005	22.8
119.08536	31.2
121.10125	19.0
129.06946	4.9
131.08528	25.4
133.08565	5.2
133.10081	15.1
135.08118	5.2
135.11653	8.2
145.10110	9.1
149.09543	6.3
159.11681	3.9
219.17419	93.2
228.71548	3.9
275.20010	9.7
335.25735	52.1
349.23703	15.5
469.05246	4.1
609.44885	100.0
669.09613	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	644.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.7
55.01857	15.5
55.05310	2.5
55.05505	42.0
57.03424	25.1
57.07069	3.1
61.17994	2.8
64.49609	2.9
67.05142	3.7
67.05492	67.0
69.03408	4.6
69.07054	31.0
71.04958	4.4
72.64922	2.5
74.54611	3.3
79.05479	58.4
81.03400	100.0
81.07035	68.9
83.04962	16.2
83.08622	27.9
83.09028	2.6
85.06515	6.1
91.05466	57.1
92.08714	6.9
93.07022	58.0
95.04946	33.0
95.08584	31.9
97.06516	7.8
97.10141	18.2
105.07016	56.1
107.04932	14.9
107.08584	40.4
109.06495	7.1
109.10155	22.7
111.04465	4.8
111.08080	5.5
117.06964	16.7
119.08549	35.4
121.06427	5.3
121.10114	20.3
123.08071	5.1
125.09640	27.0
129.06992	16.6
131.08583	24.2
133.10095	23.0
135.08005	5.9
135.11641	6.1
137.09645	3.4
143.08536	4.7
145.10083	16.2
147.07999	3.9
147.11690	13.7
149.09564	5.9
155.08551	4.5
157.10075	15.0
159.11642	12.2
161.13287	5.1
163.11137	4.5
171.11591	4.0
175.11134	6.9
189.11212	4.8
193.12236	15.6
203.05191	3.4
223.26089	3.5
227.12608	23.6
229.45338	4.1
232.77327	3.9
267.15793	40.7
269.17444	13.2
275.19977	17.3
291.19623	3.9
349.23605	11.8
447.27100	7.6
461.28439	26.1
538.52606	3.6
541.35016	39.1
559.35907	13.3
560.64191	3.9
644.20227	15.4
644.30353	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	644.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	26.9
57.22291	0.8
67.05498	1.4
69.07043	1.4
79.05467	1.6
81.03407	0.9
81.07018	3.9
84.96004	2.2
91.05453	1.5
92.64021	1.3
93.07000	1.7
95.08569	1.7
98.97560	32.6
105.03361	1.2
105.06994	3.8
107.08565	5.1
116.98593	37.7
119.08566	2.0
119.90300	0.9
121.10130	2.0
123.11671	0.9
128.98528	1.1
133.10100	1.6
134.99625	26.5
135.11670	1.1
144.71254	0.9
145.10114	1.4
146.99629	1.6
147.11693	1.3
153.00681	5.4
159.11650	1.4
175.02734	1.6
194.52728	1.0
227.05818	1.0
259.10138	1.2
279.12674	1.5
291.12515	1.6
309.13718	6.6
311.15283	1.6
323.15222	3.8
327.14618	15.9
329.16306	6.5
341.16376	5.0
377.19818	2.1
378.30096	1.1
379.21216	5.1
403.21375	1.5
413.23520	3.7
425.23322	7.3
431.25421	1.6
443.24426	11.2
449.26968	1.5
453.26566	1.3
455.24265	1.7
461.25677	6.3
465.26730	1.1
467.28131	1.4
469.25458	1.2
471.27274	1.1
473.25519	4.8
477.26474	4.3
485.28922	2.0
489.26154	1.3
495.27856	7.8
499.30701	1.9
511.30573	1.7
513.28564	6.2
525.28235	4.2
529.32043	1.3
543.29803	14.5
559.32275	2.0
561.30878	38.0
577.33624	4.3
579.31940	9.0
584.32117	1.7
603.31934	16.2
621.32959	100.0
622.32922	1.9
639.33661	9.5
644.34558	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	644.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	30.2
57.53536	0.9
67.05488	1.5
67.87266	0.9
69.00822	1.1
73.13087	0.9
77.54200	1.0
81.07034	2.1
84.96014	2.5
93.07030	4.2
95.08566	1.3
98.97570	28.4
105.07021	2.4
107.08565	4.5
116.97820	2.4
116.98601	41.2
116.99443	1.6
119.08544	2.1
121.10079	1.2
133.10147	1.5
134.99628	27.9
145.10150	1.5
153.00670	6.0
165.09053	1.2
175.14899	1.4
187.02740	1.3
225.07898	1.4
245.08453	1.9
277.07593	2.4
277.10956	1.5
279.12546	1.5
309.13611	4.8
311.15482	1.2
312.98050	1.2
327.14709	15.3
329.16367	6.7
341.16385	5.0
342.07889	1.1
377.19995	1.4
379.21222	7.6
425.23373	2.3
431.24277	1.8
443.24203	8.3
449.27652	1.6
455.24594	2.0
461.25662	7.0
465.26523	1.6
467.28290	1.4
469.26373	1.5
473.25677	4.9
477.26462	5.9
485.28940	1.8
495.28006	8.5
513.28723	13.6
525.28802	5.2
529.31915	3.9
531.29688	24.5
543.29858	14.6
559.33148	9.4
561.30817	41.8
577.33740	2.2
579.31738	6.2
603.31818	50.2
621.32947	100.0
622.32758	1.8
639.33508	5.6
644.35126	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	644.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01853	1.5
55.05502	8.0
57.03427	10.0
59.04979	0.3
61.02914	11.0
65.03931	0.3
67.05139	0.4
67.05488	10.8
69.03419	3.8
69.07047	3.8
71.04983	2.3
73.02892	3.7
75.29616	0.3
79.05474	13.0
81.03397	40.5
81.07039	14.7
83.04963	10.8
83.08114	0.5
83.08602	13.2
85.02886	28.0
85.06513	1.2
87.04433	0.4
91.03925	7.4
91.05456	16.7
91.56913	0.3
92.08730	0.5
92.09215	0.4
93.07021	9.0
95.04941	15.1
95.08577	5.8
97.02870	7.7
97.06522	2.3
97.10123	1.8
99.04427	0.6
99.08062	0.5
105.07008	13.3
107.04939	4.5
107.08588	5.5
109.02868	0.3
109.06513	2.8
109.10102	1.6
111.04403	1.7
111.08061	6.8
113.05947	1.5
115.03897	0.4
115.05415	0.7
117.07008	0.4
119.04931	0.3
119.08562	11.4
121.06472	1.4
121.10122	5.6
123.08053	2.6
123.11642	1.3
125.09580	0.7
127.03905	3.2
129.06975	7.2
131.08534	7.2
133.06459	2.2
133.10091	7.2
137.05959	1.3
137.09587	1.2
142.07729	1.5
145.04922	2.6
145.10083	0.6
147.08012	2.2
147.11667	10.8
149.09598	4.8
157.10097	9.4
163.05949	3.0
163.11116	0.7
165.12679	2.5
175.11151	10.6
177.05556	0.3
182.16249	0.3
193.12202	33.3
211.13249	20.6
211.56386	0.3
225.97813	0.3
229.14133	0.4
253.02567	0.3
256.49673	0.3
257.31729	0.3
267.15845	7.1
285.16901	100.0
429.21262	1.9
447.22226	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	644.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
53.12378	0.3
55.01860	1.3
55.05502	4.9
57.03173	0.5
57.03429	6.7
59.87107	0.3
60.27098	0.3
61.02905	3.3
67.05143	0.5
67.05494	13.7
69.03416	3.1
69.07055	9.2
71.04968	2.7
73.02889	0.6
79.05479	7.9
80.98849	0.3
81.03418	4.6
81.07039	45.9
82.70892	0.3
83.04970	4.6
83.08605	5.0
85.02886	6.2
85.06528	3.4
86.09659	0.3
87.04447	0.6
91.03938	2.0
91.04522	0.3
91.05454	12.2
92.08808	1.1
93.07013	6.3
95.04945	2.3
95.08582	13.1
97.02848	3.4
97.06509	5.8
98.02238	0.3
99.04437	1.3
99.08063	2.8
100.77488	0.4
101.05988	0.8
105.03377	12.3
105.07017	20.5
107.04913	0.4
107.08583	9.1
109.02864	1.7
109.06510	4.7
109.10133	1.6
111.08055	0.8
113.05952	1.3
119.08559	17.8
121.10119	14.4
123.04424	1.8
123.08051	3.7
123.11684	21.7
124.92800	0.3
127.03880	2.2
127.07520	2.7
129.06947	1.3
131.08519	0.5
133.10139	2.6
135.04369	0.3
135.11633	0.4
137.05936	0.7
137.09564	0.6
137.13220	2.2
140.04677	0.4
141.09113	0.5
145.02855	0.5
145.04919	0.4
145.10144	0.6
146.03165	0.6
147.04398	1.6
147.11668	53.6
148.11926	0.5
149.09555	0.6
157.10139	3.0
165.12717	26.1
167.07042	0.7
175.11124	3.5
177.05441	1.3
181.05095	0.4
181.08615	0.4
183.13802	2.7
193.12268	1.2
209.80756	0.3
211.13268	0.4
229.14342	3.7
249.07466	2.0
267.08572	1.5
267.15851	29.8
285.16907	100.0
286.17059	0.7
411.20047	0.5
447.22125	5.6
598.81787	0.4
619.59479	0.4
643.44611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
54.81667	0.7
55.01870	1.5
55.05500	0.8
57.03430	1.7
61.02902	0.6
64.33371	0.8
67.05489	1.3
69.03427	6.2
71.05000	0.9
71.87535	0.7
73.02905	1.3
79.05470	5.2
81.03410	2.8
81.07043	3.1
83.04958	1.1
85.02884	10.4
88.46638	0.7
91.05448	10.3
92.08718	1.8
92.09269	1.6
93.07018	7.7
95.04934	5.9
95.08580	3.0
97.02866	3.4
99.04457	1.4
103.05438	4.0
105.03396	4.0
105.07022	6.7
106.02910	2.8
107.04935	12.3
107.08588	3.2
109.02890	1.3
109.06499	0.9
111.04434	1.5
117.07003	4.5
119.04927	7.4
119.08560	3.3
121.06493	11.9
121.10095	0.8
123.04420	6.5
124.03925	5.7
124.05215	1.1
125.05984	1.2
127.03900	1.0
128.06226	0.9
129.06976	11.0
131.04944	5.6
131.08534	7.0
133.02841	2.7
133.06482	3.6
135.04433	1.5
135.08069	4.6
137.05965	9.9
138.03142	0.8
139.07581	0.7
140.04671	6.0
144.05695	0.8
145.06506	1.0
146.07338	1.1
147.04411	3.9
147.08038	3.7
147.11771	0.9
148.05188	1.4
148.20894	0.8
149.05994	4.0
151.03870	1.5
151.07495	13.0
151.74712	0.8
152.04678	1.1
153.05441	8.3
155.05925	0.8
155.07030	5.4
157.06448	10.4
158.07208	0.9
159.08067	1.1
161.05965	24.9
161.09570	9.3
162.06705	2.9
163.03944	1.0
163.07498	9.5
165.05449	0.8
165.06958	1.7
165.09138	4.1
166.06287	5.5
167.07001	48.4
174.06755	7.5
175.07516	9.1
177.05453	3.1
177.09082	6.6
179.07005	3.6
179.08496	1.0
181.04979	9.4
181.08553	41.8
181.10161	1.4
187.07602	1.0
189.09073	37.4
191.07010	1.6
191.08563	1.5
191.10687	1.3
193.06575	1.0
195.08072	4.7
195.10007	0.9
197.09641	3.4
205.10088	0.9
207.08244	1.7
207.10143	5.8
209.09651	0.9
210.06741	1.3
211.07532	1.5
219.08159	2.5
219.10217	3.9
221.05902	1.5
223.07507	3.3
223.11137	1.2
225.09055	8.5
227.07072	1.2
234.06699	0.9
235.07419	1.6
236.08263	1.6
237.09001	2.7
238.06316	0.8
239.06964	3.1
239.10611	1.0
240.07693	1.6
241.08554	1.8
247.07280	1.1
249.09314	1.0
251.06953	1.6
251.10643	3.4
253.08524	8.2
255.06516	1.4
255.10080	3.5
257.11627	8.3
264.07611	1.1
265.08542	1.8
267.10205	1.7
268.07968	1.0
268.10934	0.9
269.08105	3.9
269.11502	0.7
270.08701	2.8
271.09695	0.9
271.13272	0.8
279.10208	3.2
281.08197	0.9
282.09006	0.9
283.09604	9.3
283.13202	4.0
285.07916	1.1
285.11191	14.2
285.16858	1.4
295.09607	1.5
296.10153	0.8
297.11090	4.1
299.09494	0.9
299.12726	3.1
302.11377	4.8
311.12695	3.2
315.12094	8.8
316.12997	1.6
317.13779	9.0
327.12241	1.2
329.13763	3.1
331.15399	1.3
341.13940	1.0
343.11304	1.1
343.15399	9.3
346.14059	4.7
359.14786	5.4
360.15607	27.0
361.16370	52.0
403.17255	1.1
435.20050	100.0
436.20407	1.6
447.20355	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.3
53.03942	4.9
53.13694	0.3
55.01856	0.8
57.03434	0.6
58.40649	0.3
69.03418	7.9
71.04993	0.6
79.05481	4.6
81.03403	15.0
81.07059	0.4
85.02887	6.1
88.91924	0.4
91.05473	6.5
92.09162	0.5
95.04945	8.2
97.02872	8.9
99.04445	1.7
103.05429	0.9
105.03378	100.0
105.04530	2.6
105.06977	0.9
107.04948	2.2
108.04462	1.8
109.02863	6.8
109.06496	0.8
117.07001	0.7
119.04918	6.7
121.06485	2.1
122.03646	2.0
123.04398	8.7
127.03889	4.2
129.06209	0.5
129.06990	4.1
131.04887	2.3
131.08594	0.5
133.06485	0.5
135.08037	2.1
136.05167	0.8
137.05957	40.3
143.04909	0.4
145.05028	0.5
145.06483	0.9
147.04459	0.5
148.05261	0.6
149.05942	3.4
151.03917	1.5
151.07526	30.1
157.06459	4.7
161.05971	4.9
161.09615	1.5
163.07516	10.3
165.07001	1.6
165.09149	1.9
167.07080	1.5
167.08574	4.7
169.06462	0.5
173.06007	0.4
174.06718	3.1
175.07483	4.2
177.09081	12.4
178.07835	0.8
181.06485	0.7
181.10172	0.4
187.07622	0.5
189.09091	10.4
193.06494	2.1
193.10129	2.0
194.07275	0.6
195.08078	7.6
195.09952	1.2
197.05922	0.5
203.06906	0.5
203.08594	0.6
205.08427	0.4
207.08344	0.4
207.10185	2.0
209.07915	0.8
209.09677	0.8
210.06802	0.7
212.08316	1.5
219.10017	2.9
221.06001	3.0
221.09627	4.3
221.11703	1.4
223.07544	4.7
224.08263	0.6
225.05449	0.7
225.09073	2.8
227.07120	0.6
227.10652	12.0
227.12872	0.6
235.07607	0.5
237.07605	1.9
238.06163	0.8
238.09877	0.6
240.07733	1.6
241.08476	0.5
249.07387	12.0
252.07887	0.5
253.08548	4.4
253.12201	6.0
255.06215	0.4
255.10086	9.7
265.08554	0.6
267.08398	7.4
269.08163	2.0
272.10580	0.7
281.11691	1.6
284.10446	0.6
285.11185	5.7
287.12753	11.5
293.08218	0.4
297.11160	1.5
299.12762	1.9
311.12888	2.4
313.14349	7.4
331.15341	29.9
343.15381	5.3
353.13608	0.4
355.15344	1.4
397.16101	0.5
421.16388	3.2
439.17624	1.5
543.20154	0.5
561.20874	0.5
579.22070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15852	0.4
53.03939	4.1
53.94863	0.4
55.01867	0.9
56.11162	0.4
57.03421	0.9
61.68930	0.4
68.27843	0.5
69.03414	6.6
69.85376	0.5
77.03943	0.5
79.05480	3.9
81.03397	15.5
81.07062	0.6
85.02890	7.7
90.98270	0.4
91.05464	7.8
92.08974	1.2
93.07018	1.1
95.04955	8.2
97.02877	8.7
99.04445	0.6
103.05491	1.0
105.03376	100.0
105.07005	2.5
107.04929	2.0
108.04427	0.9
109.02866	8.1
109.06497	0.7
109.10124	0.5
111.51587	0.5
115.03851	0.5
119.04939	6.7
121.06479	1.2
122.03638	2.7
123.04412	7.9
123.08053	0.8
123.28787	0.5
127.03905	4.3
129.06996	3.8
131.04898	3.0
131.08519	0.6
133.06422	0.9
135.08066	1.1
136.05179	0.7
137.05959	37.4
143.08426	0.6
145.04970	0.8
145.06483	1.0
147.04482	0.6
149.05975	4.6
151.03876	1.2
151.07521	32.4
157.06456	4.9
161.05965	5.9
161.09610	0.6
163.07501	11.9
165.05605	0.7
165.06979	2.0
165.09131	2.1
167.07237	0.6
167.08513	3.8
174.06714	2.1
175.07561	3.8
177.05664	0.6
177.09084	11.8
178.07761	0.6
189.09079	8.6
193.06500	1.0
193.10146	2.7
194.07227	0.6
195.08028	9.7
203.08589	0.7
204.79402	0.5
207.10127	1.2
210.06689	1.1
210.10281	0.7
211.07501	0.9
212.08319	0.6
219.10069	0.6
221.06046	3.7
221.09642	4.6
221.11638	1.0
222.06808	0.7
223.07500	3.9
224.08286	2.2
225.09070	3.6
227.10635	13.8
234.06689	0.6
237.07384	1.0
238.06209	0.8
240.07854	1.0
241.12341	0.5
245.13489	0.6
249.07411	13.3
252.07835	0.7
253.08514	6.1
253.12204	5.6
255.10068	10.7
265.08655	0.8
267.08386	8.1
269.07980	1.1
270.08725	0.6
272.10330	0.9
281.11728	2.1
284.10370	0.9
285.11169	7.1
287.12704	14.6
287.15668	0.8
297.11252	2.0
299.12677	2.4
311.12549	1.0
313.14368	9.6
331.15338	36.5
343.15430	4.6
355.15701	0.8
421.16467	3.7
439.17496	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55394	0.1
53.03940	0.2
55.05494	1.0
56.30818	0.2
56.96544	0.8
57.07061	0.4
62.15073	0.2
67.05492	2.8
69.03422	0.2
69.07044	2.1
70.35235	0.2
79.05458	0.8
81.03410	0.2
81.07043	4.1
83.04918	0.2
83.08597	0.4
85.02894	0.7
85.06513	0.2
89.05984	0.2
91.05459	0.9
92.09086	0.2
93.07009	0.9
93.75289	0.2
95.04924	0.3
95.08588	3.4
97.02876	0.3
97.06542	0.3
97.10145	0.3
98.97548	1.0
99.04411	0.2
99.08100	0.2
105.03385	2.3
105.07026	0.9
107.08579	1.3
109.02894	0.3
109.06477	0.3
109.10144	4.7
116.98602	0.8
119.08575	2.6
121.10104	0.7
122.07259	1.2
123.04373	0.2
123.08051	0.2
123.11684	0.9
127.03892	0.3
128.98595	0.2
134.99641	0.2
135.07993	0.3
135.11636	0.2
137.05960	0.4
137.09599	10.0
137.13231	0.3
145.10075	0.3
147.04396	1.0
147.11705	0.2
149.09595	0.7
151.07547	0.2
151.14868	0.2
153.09084	0.7
153.95047	0.2
159.03322	0.2
163.07516	0.3
163.14795	0.2
165.09084	100.0
166.09438	1.1
170.99651	0.2
172.52304	0.2
177.00778	0.2
177.09044	0.3
179.10648	0.7
189.09099	0.2
190.09959	0.2
197.18956	0.2
205.12294	1.2
219.01654	0.7
235.14720	0.2
237.02814	1.7
255.16254	0.2
267.08740	0.3
271.43015	0.2
277.14810	0.7
279.03845	0.4
285.10037	0.7
293.28452	1.2
301.14630	0.3
328.39648	0.2
338.48965	0.2
366.29593	0.2
427.35413	0.4
445.36713	2.6
544.50470	0.2
578.30890	0.2
583.24316	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	643.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56267	2.3
53.03938	5.2
53.70156	2.6
53.74306	2.8
55.01847	3.1
55.05507	26.3
57.03429	8.1
57.07073	3.9
66.05080	3.4
67.05494	51.3
69.03426	6.4
69.07062	42.5
79.05481	50.5
81.03411	19.3
81.07034	63.5
83.04964	3.5
83.08605	14.6
85.02897	7.5
85.39331	3.2
91.05466	34.4
92.09115	17.7
93.07014	86.2
93.07561	4.3
95.04966	4.3
95.08582	69.5
97.02888	6.7
97.10162	3.8
97.32410	3.1
98.82064	3.1
105.07015	83.7
105.26045	3.7
107.08573	88.1
109.02882	12.2
109.06485	3.6
109.10141	65.2
111.08047	6.4
114.37083	3.3
117.06989	8.3
118.44357	3.0
119.08554	92.9
121.10116	100.0
123.11688	17.1
127.03918	5.1
129.06972	7.1
131.08539	33.7
133.10101	67.0
135.11685	49.6
137.13216	4.2
142.07774	6.2
143.08571	21.7
145.10092	64.0
147.11676	70.2
149.13243	16.3
153.20316	3.2
154.72946	3.4
155.08621	6.1
156.09319	23.3
157.10109	56.0
158.10901	7.9
159.11653	41.1
161.13231	37.2
169.10138	17.2
170.10884	16.9
171.11685	49.5
172.12537	4.1
173.13162	38.5
175.14812	8.0
181.10135	8.1
181.56046	3.1
183.11653	17.7
184.12465	14.7
185.13200	44.3
187.14807	62.3
189.12721	6.7
189.16214	5.3
193.10240	3.5
197.13252	12.9
199.14795	83.2
201.16331	39.2
203.14265	33.7
203.17923	22.6
205.15862	5.1
207.11671	6.5
209.13297	8.1
211.14806	16.4
213.16283	23.6
215.18106	5.0
217.15895	45.9
217.19406	3.5
222.14188	3.5
223.14777	7.5
225.16467	16.0
227.17822	4.6
229.19444	5.2
231.17435	7.8
237.16269	5.6
251.17953	7.9
253.19498	3.5
265.19522	6.6
267.20721	4.2
321.25690	55.1
339.26740	64.4
340.45959	3.4
403.33463	47.4
421.34546	87.3
441.19403	4.4
497.16724	4.0
545.37756	4.8
583.21820	14.6
643.22919	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	643.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95478	1.6
53.03937	1.6
55.01851	1.6
55.05499	3.9
56.96543	3.2
65.03919	1.8
67.05487	7.4
69.03413	3.7
69.07053	4.2
79.05472	11.7
81.03398	3.4
81.07042	12.6
83.04955	6.7
85.02861	2.0
91.05445	9.9
92.08742	4.4
92.09332	3.8
93.07024	12.2
94.06517	7.9
95.04928	3.7
95.07285	2.2
95.08566	8.9
96.08105	9.9
97.02866	2.5
98.97569	6.5
103.05447	2.0
105.03359	3.7
105.07021	9.3
107.08598	7.0
108.08124	13.3
109.06507	2.3
109.10198	5.8
110.09660	9.4
116.04959	2.7
117.06944	2.1
119.08581	3.4
120.04436	4.0
120.08092	11.1
121.10123	4.2
122.05996	4.4
123.04410	1.9
123.11642	2.3
124.07558	10.1
131.08543	2.3
133.10109	3.3
134.05959	3.0
135.11682	2.5
136.07568	14.8
137.09612	2.6
138.09094	13.1
144.04402	7.8
145.10068	3.7
146.05971	8.6
147.11636	3.1
148.07561	3.7
149.09486	2.2
152.07024	2.1
157.10002	2.2
162.05469	7.3
164.07054	2.4
165.09068	14.0
166.08607	11.0
167.06978	7.9
171.16637	1.8
172.03893	34.9
173.05881	2.2
177.00635	3.9
181.04875	2.3
190.04956	23.1
196.09831	2.3
197.10628	2.6
199.12331	2.5
204.06531	47.9
211.08597	3.3
219.01674	4.0
224.09503	2.4
225.10091	15.3
227.11784	18.3
237.02745	8.0
237.10190	2.8
238.10812	2.9
239.11574	5.9
241.13402	2.7
249.10048	3.3
253.09746	9.2
264.08884	7.5
267.11328	2.2
269.12845	18.4
271.10730	18.7
279.11099	3.7
283.10703	3.8
284.11404	3.9
285.12128	3.0
287.13876	12.9
297.12280	10.5
299.13855	3.1
315.13815	2.6
323.10135	10.0
325.11716	21.3
326.16537	2.7
328.10757	4.3
330.16159	2.5
331.16620	3.6
342.12314	11.5
342.16049	2.3
343.13031	4.0
344.13702	2.5
355.13818	2.1
356.13855	10.4
357.14310	12.5
358.15250	3.8
370.15378	8.2
382.11670	7.2
383.12756	2.2
384.13235	3.5
386.14761	2.7
398.14813	19.3
399.15652	35.5
404.15967	3.5
414.18094	3.4
416.15948	21.7
422.16611	2.4
430.17331	2.2
440.15738	8.3
446.17007	16.7
458.17038	34.3
489.18152	3.7
490.19296	10.2
565.23779	2.6
569.23291	7.0
583.24237	13.5
593.23804	9.1
611.24945	100.0
612.25079	2.7
642.46423	41.5
643.29346	8.0
643.46759	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	643.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81881	1.8
56.19593	1.0
66.34518	1.1
67.05505	1.5
70.75092	1.2
79.05486	1.4
81.03416	1.5
81.07056	1.7
83.21550	1.1
92.08880	1.8
108.94154	1.3
110.36919	1.1
133.66844	1.2
168.91656	1.1
173.83940	1.2
202.77449	1.4
411.14560	6.9
412.15100	4.9
424.15497	1.7
425.16104	15.5
426.16907	8.5
438.12686	2.7
439.13376	13.2
440.18347	5.6
441.19186	41.1
452.14078	2.8
453.15143	17.7
454.16241	1.5
466.76517	1.4
467.16980	24.8
468.17880	16.7
469.18652	14.7
481.14740	17.4
482.15735	6.0
495.16205	2.8
496.17188	20.8
497.17865	2.6
512.20532	1.5
555.22443	21.1
556.23065	2.0
583.21783	100.0
584.22296	5.7
615.24371	9.6
642.22943	2.3
643.23779	77.4
644.24524	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.2
57.03428	1.2
67.05479	1.5
76.56646	1.6
81.07024	1.4
90.11013	1.1
91.22198	1.2
92.08987	12.7
93.07031	2.8
100.28931	1.1
105.07040	1.7
109.10132	2.2
131.08562	1.4
315.48834	1.3
410.13864	2.0
411.14194	6.8
412.15097	5.2
424.10785	1.7
425.16132	15.0
426.16617	8.0
427.16751	2.2
438.12537	1.8
439.13962	7.7
440.18439	3.9
441.19131	25.8
452.14328	2.4
453.15173	9.4
454.16019	2.0
467.17166	24.9
468.17822	13.7
469.18823	16.8
481.14648	17.3
482.15216	2.6
495.16434	10.8
496.16953	33.9
520.18146	1.4
542.20575	1.6
555.22339	18.4
568.19348	1.4
583.21765	100.0
584.21747	5.8
611.21350	1.9
615.24365	6.5
620.34772	2.2
642.22534	7.0
643.13733	2.2
643.23596	48.1
643.39441	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	643.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.2
53.03926	1.1
55.01845	0.4
55.05484	1.1
57.03421	0.5
57.07056	0.4
65.03911	1.6
67.05492	2.5
69.03413	2.2
69.07050	0.8
71.04957	0.8
71.07192	0.2
75.36253	0.2
78.04706	1.5
79.05064	0.2
79.05476	3.2
81.03397	3.4
81.07040	3.1
82.04183	0.3
83.04949	1.2
83.08605	0.5
85.02889	2.9
85.06506	1.4
89.94392	0.2
91.05434	2.9
93.03366	0.3
93.07004	2.2
95.01303	1.2
95.04935	3.4
95.08585	2.4
97.02871	2.2
97.06510	1.0
99.04416	0.9
103.04857	0.2
103.05440	1.9
105.02686	0.4
105.03364	8.4
105.07005	3.4
106.03604	0.4
106.04218	0.5
106.07363	0.2
107.04927	2.2
107.08553	2.2
109.02866	1.5
109.06478	1.1
109.10133	2.0
110.03688	0.4
110.10374	0.2
111.04417	0.9
113.02358	1.8
115.05415	3.9
117.06995	7.8
119.04884	0.3
119.08551	2.3
121.06469	0.5
121.10111	1.3
122.03639	0.4
123.04397	7.0
123.08042	0.3
123.11629	0.8
124.05192	2.7
125.05952	1.0
125.09608	0.9
127.03854	1.8
127.05349	0.3
128.04242	0.3
129.06990	0.3
131.04890	1.3
131.08530	0.9
133.02855	0.2
133.06439	1.3
133.10109	1.1
134.03629	0.3
135.04373	0.3
135.08017	0.4
135.11610	0.4
137.05948	5.1
137.09561	1.0
138.03040	0.2
138.06322	0.4
138.73090	0.2
143.08426	0.2
144.05630	0.3
145.02869	0.3
145.06462	10.6
145.10098	0.8
147.04359	0.4
147.07986	1.1
147.11647	0.5
148.05086	0.8
149.05923	0.3
149.09607	0.3
151.03885	1.2
151.07507	1.8
151.11110	0.4
152.04666	1.7
153.05415	0.8
155.04842	0.3
155.05986	3.8
157.10081	0.4
159.08014	0.3
159.11688	0.5
160.05109	0.3
161.05988	1.5
161.09581	0.3
163.03882	0.3
163.07510	1.2
163.11078	0.3
165.05498	0.4
165.09064	2.2
166.09370	1.1
167.06992	100.0
168.07375	1.0
171.06540	1.7
171.07706	0.2
173.05937	16.5
174.06625	0.2
175.07486	1.6
175.11118	0.3
177.05446	0.7
177.09061	0.3
179.06946	0.3
179.10556	0.4
181.04907	22.7
182.05420	0.2
187.07486	1.0
189.09122	0.3
191.06973	3.3
191.08507	0.9
191.10565	0.3
192.08893	0.4
193.08485	0.3
201.05437	1.0
203.07123	0.3
205.08536	3.3
207.06502	0.4
208.07245	0.3
209.08044	0.3
219.08015	0.9
219.10109	0.5
220.08286	0.9
225.07451	0.8
227.07715	0.2
233.07959	3.1
235.09512	1.7
236.08278	0.3
237.08945	0.3
239.05501	1.1
247.09641	0.4
249.07484	0.5
251.10541	1.6
252.10962	0.9
267.08575	0.3
279.10007	0.9
280.10376	0.3
311.12723	1.3
312.13068	0.8
357.13431	0.2
387.14340	6.2
417.15329	34.4
418.15714	0.9
427.28079	0.4
445.29138	0.3
642.35742	0.3
643.34833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.1
55.01847	0.5
55.05502	0.2
57.03411	0.3
57.64177	0.2
65.03930	2.5
67.05470	1.3
69.03394	1.4
69.07026	0.4
69.50574	0.2
78.04688	3.0
79.05458	2.3
81.03397	0.9
81.07018	1.6
82.04178	0.5
83.04940	0.3
85.02878	1.9
89.03888	0.3
91.05460	3.3
92.08895	0.6
93.03363	0.5
93.06992	1.6
95.04943	3.0
95.08562	0.4
96.05730	0.3
97.02862	0.5
97.06480	1.4
103.05451	2.4
105.03386	1.7
105.04432	0.3
105.06992	0.5
105.50793	0.2
106.04155	1.7
107.04931	3.6
107.08534	0.4
109.06484	0.3
109.10087	0.9
110.03642	2.0
111.04389	1.1
115.05424	5.1
117.03345	0.3
117.06990	9.2
118.04109	0.3
119.04947	0.4
119.08527	1.0
120.05660	0.3
121.06489	2.6
121.10107	0.4
123.04398	8.3
123.11630	0.3
124.05183	2.9
125.05967	0.9
127.03835	0.3
127.05370	1.0
129.06966	0.3
130.04111	0.4
131.04903	2.3
131.08549	0.3
132.05559	0.3
133.02834	0.3
133.06445	0.3
134.03563	0.9
135.04378	1.0
136.05182	0.2
137.02347	0.3
137.05948	2.7
138.03062	0.5
140.04636	0.5
142.02576	0.6
143.04855	0.5
144.05696	0.4
145.02803	1.0
145.06453	16.6
147.04373	0.4
147.07997	0.3
147.11667	0.3
148.05161	0.9
149.05930	2.8
151.03867	1.4
151.07533	0.4
152.04677	2.3
153.05428	1.7
155.04865	0.4
155.05984	4.0
155.07031	0.3
156.05724	0.3
159.04288	0.6
161.05942	0.5
163.03851	0.4
163.07520	0.3
165.05409	0.5
167.06993	100.0
168.07375	0.5
171.06461	3.2
173.05934	21.6
175.07504	1.4
176.04646	0.4
177.05473	2.9
179.07129	0.2
181.04912	38.4
182.05299	0.2
187.03973	0.3
188.04645	0.3
189.09082	0.3
190.06161	0.4
191.06955	1.5
201.05373	0.6
203.06969	1.0
205.08533	4.9
207.06477	0.3
209.08025	1.7
219.06416	0.5
231.06497	0.6
233.08015	3.2
235.09605	3.1
250.06087	0.8
263.06787	0.3
265.08463	0.4
283.26208	0.3
285.16928	0.3
293.08124	0.4
297.11145	0.4
310.08401	0.4
325.10703	1.0
326.11331	0.3
357.13184	3.2
385.12711	12.1
386.13132	0.4
387.14383	2.1
417.15335	10.0
643.23712	30.5
644.24133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24091	0.2
53.03920	0.5
54.23817	0.2
55.01849	0.9
55.05498	0.2
65.03927	2.8
67.05489	1.8
69.03394	1.2
69.07037	0.5
74.12738	0.2
78.04694	3.3
79.05479	3.3
81.03385	1.1
81.07021	1.8
82.04147	1.4
82.59973	0.2
85.02880	2.2
85.06509	0.3
91.05457	3.5
92.09062	0.9
93.03352	1.2
93.06992	1.4
95.04956	2.8
95.08565	1.3
97.02856	0.5
97.06491	1.2
97.10152	0.2
99.04435	0.3
103.04851	0.2
103.05453	4.2
105.03382	3.8
105.07024	2.2
106.04185	1.9
107.04937	4.2
107.08582	0.4
109.02863	0.8
109.06488	0.4
109.10101	0.5
110.03660	1.9
111.04422	1.3
115.04679	0.3
115.05432	6.9
117.03365	0.4
117.06998	9.9
118.04137	0.3
119.04903	0.9
119.08539	0.9
121.06486	3.1
121.10133	0.4
122.03571	0.3
123.04408	8.8
123.11678	0.3
124.05205	3.7
125.05996	1.7
125.09619	0.2
127.05403	1.1
128.06204	0.3
130.04184	0.3
131.04919	3.1
133.06471	1.4
134.03616	1.1
135.04407	1.0
135.11728	0.3
137.05969	2.2
138.03111	1.4
140.04672	0.8
142.02579	1.0
143.04903	0.5
144.05659	0.5
144.10165	0.2
145.02824	0.4
145.06473	16.4
147.04382	0.4
147.08000	0.8
148.05162	0.9
149.05942	3.4
151.03902	1.6
151.07538	0.3
152.04669	2.6
153.05434	2.2
155.04935	0.5
155.06017	6.2
157.15628	0.3
159.04355	1.1
160.05124	0.4
161.05942	2.3
163.03894	0.5
163.07520	0.9
165.05461	0.5
167.07004	100.0
168.07310	0.9
171.06523	3.5
173.05960	20.4
175.07523	1.2
177.05458	3.4
178.06161	0.2
179.06953	0.4
181.04926	43.5
181.08409	1.0
182.05112	0.3
185.05881	0.2
188.04588	0.3
189.05452	0.3
190.06194	0.5
191.07002	3.4
193.08606	0.3
201.05475	0.5
203.07014	1.8
205.08575	5.3
207.10115	0.3
209.08012	1.9
217.08600	0.4
219.06393	0.5
219.10063	0.4
231.06401	0.4
233.05801	0.3
233.08023	3.8
234.06662	0.3
235.09586	3.2
239.40666	0.2
251.06891	0.3
265.08530	1.1
273.11597	0.2
282.08829	0.3
284.33514	0.3
293.08151	0.8
295.06183	0.2
297.11172	0.4
301.27118	0.3
310.08337	1.2
325.10635	1.3
326.11453	0.3
329.14139	0.3
353.10056	0.3
355.11694	0.3
357.13171	3.6
385.12753	17.7
386.13434	0.9
387.14474	2.6
399.14285	0.3
417.15338	7.3
466.46127	0.2
525.57837	0.3
643.23755	31.6
644.24298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14719	2.7
54.23638	4.1
55.01849	16.5
55.05503	38.8
57.03424	19.7
62.03391	3.7
66.62933	3.2
67.05492	57.7
69.03416	14.0
69.07052	49.5
79.05471	52.6
81.03394	100.0
81.07030	51.1
83.04953	16.4
83.08609	25.2
91.05460	47.7
93.07039	43.4
95.04951	33.2
95.08590	31.6
97.02861	15.3
97.06507	7.5
97.10147	16.2
105.07005	40.5
105.90609	3.1
107.04923	20.6
107.08568	31.2
109.06513	8.2
109.10143	15.0
111.04424	7.0
111.08035	8.7
117.07006	14.9
119.08548	41.5
121.06459	6.4
121.10115	20.8
125.09602	8.6
129.06950	14.5
130.24059	3.4
131.08559	22.8
133.06493	5.0
133.10095	13.9
135.11688	6.9
143.01863	4.6
145.10110	18.4
147.08018	8.2
147.11685	15.8
149.09636	8.2
149.13229	4.4
157.10094	16.7
161.02934	4.9
163.11195	5.9
175.11212	7.2
193.12198	13.7
223.13216	23.8
227.12708	6.7
234.57617	3.8
249.14923	5.2
267.15857	79.6
273.18329	5.1
291.19479	96.0
365.23260	46.9
444.11816	3.5
557.34631	95.9
642.36194	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	642.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.7
57.03424	2.3
61.02914	4.9
64.88638	0.9
67.05491	22.7
69.03390	1.1
69.07066	8.7
73.02905	1.4
79.05474	20.1
79.88697	1.1
81.07038	21.2
83.04960	1.6
83.08599	4.6
85.02897	5.5
91.05455	23.5
91.06363	1.1
93.07024	22.0
93.14301	1.0
95.04944	6.0
95.08578	15.0
97.06534	2.5
97.10147	1.1
99.04478	1.1
102.37899	1.0
105.07013	24.9
107.04958	1.8
107.08556	11.1
109.06531	2.0
109.10149	6.5
114.40331	1.0
117.06973	15.2
119.08573	19.2
120.57950	1.0
121.06447	2.4
121.10107	6.1
123.08056	2.0
123.11629	1.4
129.06967	10.0
131.08536	19.6
133.06451	2.4
133.10095	11.4
134.75362	1.2
135.11653	2.1
137.09659	1.6
141.06963	1.8
143.08531	12.9
145.06436	1.7
145.10104	13.8
147.08037	1.7
147.11694	4.1
149.09547	1.9
155.08562	6.1
157.10126	6.1
159.11693	7.3
161.13344	1.2
167.08519	1.5
169.10089	5.9
169.36102	1.1
171.11665	4.8
173.13220	2.4
181.10100	1.3
183.11679	2.6
185.13182	2.6
187.14862	1.4
195.11729	1.3
203.05243	4.8
206.08705	1.2
209.13258	1.9
211.14899	1.9
283.08554	1.1
289.68008	1.1
353.24734	5.5
371.25742	6.8
389.26837	4.4
432.78107	1.2
445.29401	100.0
446.29846	2.2
463.30484	23.2
641.40497	2.5
642.40680	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	642.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
54.39901	1.1
55.01857	1.9
55.05505	10.0
55.05721	1.0
55.83963	0.9
57.03434	2.1
61.02909	4.7
66.46828	0.9
67.05493	26.4
69.06718	1.1
69.07052	10.6
71.04983	1.4
72.40369	1.0
79.05476	17.0
81.03394	1.7
81.07040	23.9
81.55203	1.1
83.04955	1.6
83.08611	5.9
85.02896	4.5
91.05461	29.5
92.09116	5.1
93.07030	24.2
95.04944	5.0
95.08577	22.3
97.02859	1.5
97.06517	4.2
97.10121	1.5
105.07026	25.6
107.04925	1.6
107.08565	11.7
109.06516	2.3
109.10152	5.3
117.07000	13.0
119.08575	19.0
120.37963	1.3
121.06515	4.9
121.10127	7.4
123.08076	1.3
125.09648	1.3
129.06990	10.4
131.08546	24.3
133.10089	12.0
135.08066	1.3
135.11691	4.5
137.09599	1.7
143.08563	13.5
145.06522	1.6
145.10126	15.4
147.08006	2.4
147.11621	4.5
155.08571	5.9
157.10065	10.3
159.11642	8.8
161.13210	1.1
169.10117	5.2
171.11687	6.6
173.13214	4.3
181.10115	2.8
183.11725	2.1
185.13248	2.3
187.14786	1.5
195.11546	1.9
197.13165	3.9
201.16347	1.4
222.16508	1.2
247.16946	2.2
335.23355	2.0
343.26285	1.9
353.24622	5.8
371.25705	6.7
389.26871	6.6
423.32980	1.3
445.29416	100.0
463.30475	41.0
533.08862	1.4
544.36963	1.3
640.89594	1.2
642.29724	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79555	0.4
53.03938	4.2
53.99679	0.4
55.01856	1.0
55.05495	1.8
57.03423	1.6
61.02906	0.7
62.89767	0.3
65.03938	0.5
67.05504	2.9
69.03408	7.4
69.07056	2.8
71.04960	0.8
73.02888	0.6
76.56103	0.4
79.05468	7.1
81.03398	14.0
81.07034	7.4
83.04967	1.9
85.02484	0.4
85.02892	6.9
85.06525	0.6
91.05453	8.5
92.08972	1.7
93.07024	8.3
94.04168	1.6
95.04396	0.5
95.04944	9.1
95.08588	4.5
97.02862	9.6
97.06508	1.6
97.10159	0.6
99.04438	3.4
99.25247	0.4
103.05448	2.5
105.03370	75.4
105.07007	12.4
107.04926	2.2
107.08577	4.6
108.04500	0.6
109.02856	8.1
109.06506	4.0
109.10123	3.2
110.05946	0.4
111.08026	0.6
115.05424	3.4
115.67168	0.4
117.07013	4.2
119.04964	1.5
119.08571	6.0
121.06467	3.3
121.10107	7.3
121.18346	0.4
122.03638	6.1
122.10443	0.6
123.04417	5.8
123.08049	0.8
123.11693	0.8
125.05962	0.5
127.03894	6.3
127.07499	0.5
128.06224	1.6
129.06969	3.5
130.04149	0.6
131.04915	2.9
131.08546	2.3
132.05682	0.9
133.06456	6.3
133.10098	3.1
135.08017	1.7
135.11679	1.0
137.05949	100.0
139.11180	0.5
141.06926	0.5
143.04944	0.5
143.08543	0.7
144.05685	0.5
145.02827	2.5
145.05019	0.7
145.06459	3.7
145.10126	1.8
146.03592	0.5
147.04375	2.3
147.07990	3.2
147.11664	0.9
149.05977	5.5
149.09576	2.4
151.07506	1.7
155.04866	1.0
157.06458	0.7
157.10078	0.8
159.07979	3.9
159.11630	0.9
160.05186	1.8
161.05936	14.1
161.09589	0.6
162.06717	2.8
163.07498	2.6
163.11130	0.4
165.09073	4.4
166.09242	0.5
167.06958	1.7
173.05923	0.9
175.07501	24.9
177.05460	2.8
177.09062	0.6
179.06981	1.7
179.08443	0.7
181.04959	0.7
183.11621	0.5
184.05260	0.5
187.07494	7.5
187.11115	0.6
190.07758	2.6
191.08495	8.8
193.08516	3.1
199.07509	4.0
202.07813	0.5
203.08614	2.9
203.10364	0.4
205.06648	0.5
205.08566	1.6
207.08063	1.0
208.08925	0.7
218.07275	2.5
219.08018	12.8
219.10153	0.5
220.08789	3.3
221.06129	0.6
231.08064	3.2
232.08899	0.9
233.09477	0.5
236.08330	2.6
247.07533	5.2
248.08221	2.5
249.05156	0.5
249.07465	13.1
251.10632	16.6
253.08510	0.9
259.07507	2.2
260.08224	0.5
263.10608	0.8
264.07797	0.9
264.46344	0.5
267.08459	5.3
276.07849	1.8
277.08411	0.6
278.09326	0.6
279.10074	9.5
280.10721	0.9
281.07849	0.6
281.11563	0.5
291.10037	5.1
292.10852	0.5
296.10367	0.9
309.11176	0.9
311.12677	22.6
318.12930	0.5
323.12738	8.9
329.13852	1.0
341.13803	3.8
353.13367	0.5
376.30374	0.6
449.28726	0.6
624.32739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
53.04138	0.5
54.82133	0.4
55.01860	1.0
55.05493	2.7
57.03416	1.9
57.07060	0.8
60.32384	0.4
61.66569	0.4
67.05498	4.0
69.03123	0.5
69.03416	8.7
69.07050	3.4
69.34071	0.5
70.06553	0.5
71.04958	1.1
71.84000	0.5
76.56997	0.5
77.03882	0.6
79.05476	7.8
81.03399	14.7
81.07034	7.2
83.04946	1.8
83.08585	1.1
85.02886	7.1
85.06533	0.7
91.05455	9.7
92.08632	1.2
92.09229	2.1
93.07014	9.1
94.04169	0.9
94.07365	0.7
95.04948	10.1
95.08575	4.9
97.02867	7.7
97.06493	1.9
97.10122	1.0
99.04417	2.3
103.05438	2.8
104.29556	0.4
105.03371	76.6
105.04494	2.2
105.07007	11.8
105.07652	0.7
106.07345	0.6
107.04926	2.2
107.08587	5.6
108.04441	0.7
109.02870	7.6
109.06502	4.3
109.10161	3.8
111.04424	0.9
111.08036	0.6
113.32815	0.5
115.05421	3.1
117.06985	3.9
119.04929	1.9
119.08546	7.7
121.06503	3.8
121.10144	5.8
122.03624	5.7
123.04436	6.0
123.08065	2.0
123.11658	1.9
125.05986	0.6
125.09629	1.2
127.03887	6.2
128.06215	1.8
129.06975	3.0
131.04921	3.4
131.08574	3.7
132.05698	1.1
133.06477	5.3
133.10081	3.0
135.04391	0.6
135.08063	1.1
135.11632	1.2
137.05952	100.0
139.11182	0.9
139.68361	0.5
142.07713	0.5
143.08543	0.8
145.02827	2.5
145.04982	1.8
145.06490	3.6
145.10115	3.2
147.04411	2.1
147.08028	4.6
147.11670	0.9
149.05960	5.6
149.09592	2.3
149.13271	0.7
151.03885	2.0
151.07503	2.5
157.10086	1.2
159.08023	4.8
159.11655	0.9
160.05161	2.3
161.05949	13.0
161.09596	0.6
161.13374	0.5
162.06659	0.8
163.03908	2.1
163.07526	3.1
165.09068	3.1
167.07004	2.6
172.05193	0.8
173.05904	1.2
173.13240	1.0
175.07498	22.9
175.14784	0.7
177.05463	5.2
177.09016	1.0
179.08426	0.7
181.04916	1.9
185.09612	0.5
187.07503	7.4
189.09146	0.7
191.08504	8.1
193.08611	3.0
199.07523	4.2
202.07721	0.9
203.08540	1.9
203.14223	0.5
205.06599	0.7
208.08687	0.7
218.07231	2.7
219.07997	10.8
220.08823	2.4
231.08002	4.1
235.07539	0.8
236.08226	2.7
247.07391	4.6
248.08307	2.6
249.07474	13.3
251.10625	15.1
253.08635	1.1
259.07477	1.9
260.08279	0.8
261.09055	0.6
262.10324	0.6
263.10629	1.9
264.07870	0.7
267.08514	4.6
276.07870	0.7
277.08530	0.7
279.10107	10.8
280.10745	0.8
291.10004	3.8
292.10794	1.0
296.10281	0.8
308.10339	0.8
309.11066	1.0
311.12692	22.8
323.12708	6.6
329.13617	0.9
335.12592	0.7
341.13824	5.0
353.13464	0.7
401.13626	1.0
420.67960	0.6
425.51193	0.7
463.33215	0.6
477.16443	0.6
593.45300	0.6
641.34344	1.0
642.34967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.2
51.02358	0.2
53.03944	4.1
53.84663	0.2
55.01861	0.9
55.05492	0.8
57.03418	1.0
61.02921	0.2
67.05487	1.1
69.03417	6.6
69.07063	0.5
71.04984	1.3
73.02906	0.5
74.06778	0.2
77.03915	0.5
79.05478	5.7
81.03400	18.7
81.07043	2.5
82.07404	0.3
83.08578	0.3
85.02890	6.6
85.06538	0.3
91.05464	1.5
93.07034	1.6
94.04184	0.2
94.07349	0.2
95.04954	6.7
95.08582	1.9
96.08857	0.2
97.02874	11.6
97.03497	0.4
99.04440	2.4
103.05452	0.3
105.03377	100.0
105.07011	1.5
106.03712	0.8
107.04954	0.3
107.08587	2.1
108.04462	1.2
109.02135	0.4
109.02863	9.3
109.06501	1.2
109.10147	1.3
111.04413	0.8
111.08108	0.2
115.05414	1.4
116.07492	0.2
117.07006	0.7
119.04932	0.3
119.08546	1.2
121.06516	0.3
121.10146	1.7
122.03627	1.4
123.04403	7.6
123.07988	0.2
123.11704	0.3
125.05962	0.8
125.09614	0.2
126.05585	0.2
127.03894	6.3
129.06979	2.1
131.04918	1.4
131.08556	0.9
133.10100	1.1
135.08040	0.3
135.11618	0.3
137.05960	26.2
137.09576	1.0
143.04912	3.8
144.05647	0.4
145.04942	1.3
145.06477	1.1
145.10106	0.4
146.03665	0.2
147.04373	0.5
147.11667	0.3
149.06015	0.3
149.09560	0.7
151.03949	0.4
151.07494	0.8
153.05524	0.2
157.06491	1.5
158.05978	0.2
158.07251	0.3
159.11653	0.4
160.05153	5.5
161.05963	1.0
161.13309	0.4
163.07535	0.5
165.09096	7.0
166.09427	0.9
167.07060	1.0
172.05173	1.0
173.05928	0.2
173.13269	0.2
174.06731	1.0
175.07515	26.2
177.05444	0.2
177.09033	0.2
187.07503	10.6
189.09079	2.4
191.10635	0.3
200.15189	0.2
201.16199	0.3
203.08588	0.3
205.08575	3.1
205.12294	0.3
211.07637	0.4
214.16760	0.3
216.18193	0.2
217.08611	0.9
231.06277	0.2
231.08281	0.3
235.09584	3.5
239.07057	0.4
248.08302	0.4
249.07529	18.7
251.10638	0.2
255.06450	0.4
263.10721	0.8
267.08578	9.1
270.08838	0.4
271.09622	0.9
279.10129	0.8
283.09250	0.2
291.10138	1.6
311.12640	0.4
323.12860	1.7
341.13812	2.1
357.13260	0.2
410.34735	0.3
438.34695	0.3
439.34586	0.2
456.35452	1.0
457.35641	0.4
504.52060	0.2
525.99817	0.2
526.75989	0.3
540.93115	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65555	1.7
51.76989	1.6
53.63503	1.8
54.81741	2.2
55.05494	2.1
57.98053	1.9
62.23207	1.6
64.63775	1.6
67.05486	3.2
69.07069	1.8
77.48093	1.7
79.05489	2.1
81.07040	3.8
91.05463	2.1
93.07017	4.0
95.08633	4.3
101.93342	1.8
106.99680	1.9
107.08617	3.0
109.10181	3.4
120.18530	1.9
121.10142	2.3
128.33023	2.3
166.01852	1.9
187.03673	12.8
206.10698	1.8
233.95793	2.0
407.22134	3.2
434.24023	2.4
452.67410	2.3
549.25189	2.7
591.25964	7.1
609.26733	3.0
623.28461	24.8
641.30212	4.3
641.38123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2967
Annotation	Crooksiine
Peak:m/z	Relative Intensity
50.00981	0.4
67.05502	0.4
79.05470	0.7
81.07059	0.8
91.69036	0.5
93.07046	0.5
95.08603	0.5
105.07030	0.5
105.92444	0.4
108.34206	0.4
176.32341	0.5
176.46739	0.5
194.78239	0.4
244.41684	0.5
251.08359	0.5
322.15298	0.5
330.75833	0.4
375.15930	0.5
377.17493	0.7
378.18478	0.7
379.19348	0.8
391.19583	1.0
393.20868	2.2
403.19418	0.6
404.20563	0.6
405.16525	3.3
405.21655	0.6
406.17673	1.0
407.17770	0.8
407.22803	6.1
419.18442	3.9
420.19321	2.2
421.20291	4.7
423.21918	0.7
433.20206	6.2
434.21375	5.0
435.21854	7.9
436.22449	2.0
447.22235	1.4
449.19528	9.2
450.20605	0.6
451.21454	0.5
462.20459	0.7
463.21335	4.3
464.22070	1.8
467.24338	0.7
471.22623	0.5
479.20279	1.5
480.21872	0.9
481.22406	2.3
493.21729	3.2
494.22971	3.4
495.23602	3.3
507.23935	1.9
516.83917	0.5
521.25543	10.8
539.22650	0.8
549.24426	0.6
553.24829	0.6
563.26740	0.5
567.26428	0.6
581.27490	21.3
582.27301	0.7
613.30914	0.5
626.26721	0.5
641.29590	100.0
642.29803	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	641.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15100	0.6
54.82005	0.7
55.05498	1.1
57.07063	0.6
63.29092	0.7
67.05489	3.8
67.89388	0.7
69.07044	3.0
74.55441	0.6
79.05470	1.1
80.96147	0.6
81.07059	2.5
83.08543	0.9
91.05453	1.6
93.07027	3.0
95.04964	0.8
95.08603	3.0
105.07011	1.8
107.08593	1.5
109.10158	1.4
119.08607	3.6
121.10129	1.3
131.08508	1.0
133.10138	1.2
134.30092	0.7
142.38637	0.7
147.11638	1.5
171.11612	0.8
190.05099	0.8
219.16106	0.8
404.16254	1.2
406.21304	1.3
419.18481	3.1
433.20465	3.0
434.21097	3.1
435.21954	1.1
437.19757	0.9
447.17789	3.1
448.23096	1.2
451.21402	0.8
461.19543	11.2
462.20364	4.3
463.21121	1.0
465.18646	1.0
467.24182	1.4
475.20837	0.9
476.21933	1.6
477.22720	4.2
493.21616	1.1
494.22873	5.1
495.23953	1.8
521.21887	1.2
535.26953	1.5
548.24091	3.2
553.28162	1.2
563.26208	9.4
576.22772	0.9
581.27576	15.0
608.26135	1.6
623.28247	3.3
641.29517	100.0
642.30298	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2962
Annotation	Crooksiine
Peak:m/z	Relative Intensity
53.32093	1.6
55.05497	2.5
67.05479	2.5
75.03117	1.7
79.05476	2.9
81.03392	1.9
81.07042	4.8
83.04956	2.2
93.07018	3.3
95.08615	4.2
105.07045	2.4
107.08550	2.7
119.08515	3.5
133.10139	3.0
147.42059	1.8
153.95140	1.7
160.28055	2.0
210.11534	2.0
211.12256	2.0
224.13000	2.9
237.13826	2.7
239.11707	2.6
288.14655	2.4
290.16312	2.4
319.16599	2.0
322.57886	1.9
384.17004	7.5
392.19681	10.5
405.20642	2.6
407.21872	10.8
412.16177	2.6
417.20636	3.3
419.22379	3.3
420.22726	3.3
421.23410	8.4
422.24411	13.2
429.16891	2.4
434.24423	4.6
460.21866	2.3
463.21170	12.8
475.20877	3.1
477.22498	3.6
508.22687	2.2
545.24738	8.4
547.26874	11.1
549.24792	19.1
550.25262	4.0
563.26178	4.2
591.25867	34.7
605.28033	4.5
609.26837	18.1
623.28546	100.0
641.29016	19.1
641.38678	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	641.2965
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05491	0.5
67.05479	0.8
79.05445	1.0
81.07025	2.7
83.08613	0.7
86.09688	0.9
91.05494	0.8
92.08984	4.8
93.07014	1.0
107.08595	0.7
119.08586	0.9
121.10106	0.9
133.10187	0.7
172.82397	0.6
184.07356	0.6
340.14413	0.7
342.15714	0.8
377.17822	0.8
405.16736	0.9
419.18427	3.0
432.19699	1.0
433.19931	2.4
434.20969	1.4
435.22076	0.8
447.17267	1.4
447.22476	0.9
449.23621	1.0
461.19366	12.1
462.20471	4.6
463.21152	1.4
465.19003	3.3
467.24460	1.0
476.22470	0.7
477.22699	3.9
479.20770	0.8
493.22455	2.6
494.23090	3.9
495.24258	2.9
504.68872	0.8
507.24078	1.2
535.26880	1.0
548.23883	2.8
549.24615	0.9
563.26624	8.5
581.27582	16.9
608.26221	1.4
609.26697	1.2
623.28748	0.9
641.29596	100.0
642.30042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.1
51.10716	0.1
53.03938	1.3
54.81740	0.2
55.01860	0.3
55.05499	1.3
56.60152	0.1
57.03426	3.0
57.90829	0.1
61.02905	0.7
65.75497	0.1
67.05491	0.8
69.03413	7.4
69.07047	0.2
71.01297	0.2
71.04971	0.7
73.02892	1.0
75.04457	1.5
77.03892	0.2
79.05473	9.0
81.03399	5.5
81.07044	1.8
82.02930	0.2
83.01328	0.3
83.04971	1.1
85.02888	4.1
87.04445	0.3
91.03932	0.2
91.05463	8.0
92.08723	1.0
92.09374	0.6
92.64310	0.1
93.07023	56.7
94.07359	0.3
95.04939	2.9
95.08580	1.3
97.02873	3.1
97.06535	0.2
99.04424	1.4
101.02367	0.3
101.60500	0.1
103.03933	0.2
103.05433	0.8
105.03370	6.2
105.04510	0.8
105.07006	7.9
106.07794	0.2
107.08572	3.7
109.02861	2.5
109.06493	0.3
109.10152	0.3
111.04414	1.0
111.08037	1.3
115.03905	0.2
116.04975	0.3
116.06184	0.2
117.03361	0.6
117.06985	0.7
119.04884	0.2
119.08557	16.8
121.10121	100.0
122.10463	0.6
123.04420	0.2
123.08064	2.2
123.11662	0.2
125.05945	0.2
127.03914	2.0
129.05446	1.1
129.06946	0.3
131.08539	3.1
133.07605	0.9
133.10078	0.6
137.05937	0.6
139.11148	1.1
143.25082	0.2
145.02831	1.7
145.04962	0.9
145.10051	0.2
146.03171	0.6
147.11632	0.2
149.09595	10.6
165.09099	0.3
167.07072	0.2
167.09291	0.3
167.10643	5.9
177.05429	2.7
178.05774	1.0
190.07088	1.4
216.08604	2.7
236.14349	0.2
249.07477	0.7
267.08578	0.9
273.11142	0.3
275.12622	0.2
281.17358	0.9
282.17819	0.6
283.15338	0.8
293.13776	2.2
310.16425	5.7
311.14819	5.4
338.15942	5.8
345.13196	0.3
375.14215	0.8
416.20255	0.2
444.20078	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39693	0.1
56.65577	0.1
56.96544	0.1
57.03437	0.1
66.79202	0.1
69.03413	0.6
70.13982	0.1
79.05461	0.3
81.03397	0.5
84.08110	0.1
85.02883	1.1
86.09697	0.1
92.08890	0.1
94.06533	0.1
97.02849	0.3
99.04399	0.1
105.03375	1.8
106.03699	0.5
106.06538	2.8
107.04954	0.1
109.02840	0.3
109.05277	0.1
110.06026	0.1
110.07109	0.1
120.04446	0.3
122.06015	0.3
122.73050	0.1
122.74062	0.1
123.04395	0.4
123.85036	0.1
127.03864	0.3
134.05994	3.7
135.04405	0.1
138.05478	5.5
141.04185	0.1
145.04924	0.4
147.04343	0.1
147.15157	0.1
152.07059	1.0
162.61282	0.1
163.03938	0.1
166.04965	100.0
167.05286	0.4
167.66725	0.1
248.65146	0.1
249.07484	0.3
249.27921	0.1
250.07883	0.1
267.08624	0.2
268.09061	0.2
323.88516	0.1
327.10532	0.1
328.10229	1.0
378.14844	0.1
467.87878	0.1
558.91748	0.1
567.45807	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	640.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	4.0
53.03935	3.0
54.57377	1.6
54.81718	2.1
55.01866	2.7
55.05505	34.1
57.03428	29.6
57.07067	75.3
65.03925	1.6
65.91230	1.6
67.05148	2.8
67.05492	80.1
69.03410	1.7
69.07050	43.7
69.24545	1.5
71.04964	3.6
71.08614	51.5
76.93300	1.4
79.05473	65.7
81.03377	2.8
81.07040	100.0
82.07339	1.4
83.04967	11.4
83.08600	24.3
83.27540	1.6
85.06519	3.4
85.10172	27.1
85.72944	1.5
91.05457	62.3
92.09101	13.5
93.07024	61.9
95.04952	13.1
95.08002	2.8
95.08587	62.8
97.06493	10.6
97.10159	13.9
105.07016	47.4
107.04921	7.7
107.08582	31.5
109.06496	10.6
109.10151	26.5
111.08041	2.4
117.06995	24.6
119.08566	36.8
121.06499	3.0
121.10075	17.4
123.07998	1.9
123.11679	9.4
125.09644	2.1
126.06270	1.6
128.06171	2.1
129.06956	6.6
131.08536	21.9
133.10098	29.4
135.07997	2.3
135.11668	12.1
137.09601	2.2
143.08516	7.0
145.10117	13.5
147.11685	14.1
149.09543	6.0
149.13196	8.8
157.10107	3.7
159.11667	10.2
163.11043	2.4
169.10095	2.1
171.11726	2.5
173.13177	6.6
177.12669	2.5
185.13243	2.7
195.13757	1.7
203.14230	2.3
219.17380	2.9
223.52425	1.8
239.17801	2.5
251.16475	2.0
255.15834	9.9
257.18842	6.2
267.15848	1.7
269.17374	18.8
275.19958	25.0
293.21115	2.7
309.20523	3.7
313.23697	3.3
313.27316	81.0
349.23734	17.2
367.24600	3.2
410.79462	2.2
493.38928	12.9
507.40396	58.1
521.41968	2.9
547.43665	24.1
581.22693	2.1
587.46661	17.2
605.47748	2.9
641.24829	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	640.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	3.4
55.01859	4.6
55.05506	32.7
57.03430	21.4
57.07067	90.2
65.03912	3.2
67.05490	97.2
68.68871	1.8
69.03407	2.8
69.07051	43.9
69.39198	2.2
71.04972	4.4
71.08250	2.5
71.08611	54.0
73.50105	2.3
79.05470	57.9
81.03371	4.0
81.07035	85.8
83.04954	14.5
83.08607	29.6
85.06517	4.3
85.10165	29.6
89.06041	2.9
91.05461	53.8
92.08886	17.5
93.07018	63.2
94.21900	2.2
95.04926	13.9
95.08577	67.4
95.13881	1.9
97.06493	9.8
97.10138	11.8
105.07007	39.8
107.04913	7.8
107.08585	33.1
109.06504	5.4
109.10148	38.5
111.08046	8.3
113.09688	2.2
117.06992	18.8
119.08560	32.0
121.06468	2.6
121.10102	18.2
123.07984	2.5
123.11658	8.6
125.09631	2.5
129.06944	3.1
131.08525	22.5
133.10088	22.7
135.11636	13.4
137.09666	2.4
145.10110	14.4
147.11649	9.3
149.09631	5.1
149.13222	5.3
151.11255	2.5
155.08511	2.7
157.10159	2.8
159.11632	15.0
161.13326	2.6
163.11143	3.9
165.84393	2.1
169.10069	2.7
173.13187	4.4
229.14221	3.2
254.63242	2.6
255.15817	11.2
257.18958	4.5
263.14972	2.2
269.17355	10.3
275.19952	27.3
313.27338	79.4
334.43274	2.3
349.23688	17.0
467.37094	9.1
493.38715	17.5
507.40359	100.0
587.46417	20.3
605.47156	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	640.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92698	1.6
53.03934	2.5
55.01867	4.9
55.05504	43.6
57.03429	18.2
57.07068	35.6
59.28259	2.3
66.88042	2.0
67.05493	40.9
69.07056	17.2
70.27981	2.3
71.08614	17.8
75.35828	2.0
79.05467	44.9
81.07038	37.2
82.47475	2.2
83.04977	3.7
83.08604	32.7
85.10162	4.8
91.05459	19.8
92.09142	11.0
93.07034	32.2
93.90320	2.4
95.08576	26.9
97.10145	54.9
105.07005	23.8
105.31287	2.5
107.04975	3.0
107.08572	45.4
109.06483	4.7
109.10152	20.2
111.08078	3.6
117.07009	10.9
119.08560	14.4
121.10137	10.6
123.11735	3.6
125.09608	51.0
127.95467	2.2
129.06995	3.7
131.08551	11.0
133.10117	11.3
135.08061	4.9
135.11668	2.7
143.08598	2.8
145.10112	11.4
147.11700	10.0
153.49649	2.4
159.11665	4.9
175.32625	2.4
189.11145	29.9
201.16293	3.4
219.17326	5.0
227.12732	100.0
257.18900	4.2
275.19943	38.0
313.27283	51.5
325.95432	2.6
331.22714	2.9
349.23682	38.5
483.36560	10.8
587.46704	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83242	7.1
55.05502	43.5
57.03434	18.6
57.07061	62.0
63.91396	6.7
67.05486	71.4
67.07989	7.2
69.07055	54.2
71.08616	35.4
79.05470	55.0
81.07038	100.0
83.08614	18.5
85.10162	13.0
91.05442	60.2
92.08764	41.1
93.07014	58.2
95.04958	10.3
95.08586	59.8
97.10151	16.6
105.07011	60.5
107.08571	46.9
109.10155	35.8
117.06994	10.1
119.08569	48.6
121.10110	12.8
131.08546	37.1
133.10130	11.1
135.11655	8.3
145.10130	17.6
147.11700	12.1
185.13158	8.2
216.86694	8.8
227.12617	12.9
242.45302	7.4
247.49973	8.1
257.18930	10.1
269.32291	9.6
275.20062	53.6
313.27246	81.9
349.23764	36.4
407.61230	9.3
446.74945	9.0
587.46533	57.5
611.15369	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	640.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25034	6.5
53.00263	7.1
55.05505	67.5
57.03420	34.3
57.07071	75.2
65.90150	6.3
67.05495	97.0
67.23708	7.5
69.03442	6.8
69.07049	60.3
71.08610	43.0
79.05470	61.5
81.07030	100.0
83.08604	28.8
85.10141	12.0
91.05458	62.7
92.08820	28.6
92.70377	8.2
93.07008	72.8
95.04952	11.4
95.08595	70.3
97.06487	12.8
97.10120	30.9
105.07010	44.7
107.04931	7.8
107.08565	46.8
109.10123	29.6
117.06992	19.1
119.08530	42.0
121.10135	14.9
123.11657	10.7
125.09617	15.5
131.08559	18.6
133.10123	30.6
135.11641	11.6
143.08449	10.1
149.09552	9.0
149.13274	9.2
159.11684	10.9
189.11171	10.5
227.12718	47.6
257.35291	8.3
275.20020	37.2
313.27298	74.9
320.96362	8.5
346.52917	10.0
349.23627	15.9
467.36902	19.3
472.89835	8.7
547.42719	9.9
587.46381	33.1
604.99554	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	640.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	24.1
55.01858	1.9
55.05501	6.7
57.02479	0.6
57.03147	1.1
57.03427	32.0
57.07062	0.8
57.34269	0.6
61.02909	9.2
66.26211	0.8
67.01847	4.7
67.05493	10.4
69.03414	13.8
69.06728	0.8
69.07045	7.5
71.04966	5.0
75.04455	1.0
77.26416	0.6
79.05474	1.6
81.03397	51.6
81.03873	1.8
81.07043	10.6
83.08580	6.3
85.02890	10.4
91.05435	1.3
92.08917	5.0
93.06998	2.9
95.08070	1.1
95.08588	14.2
96.42203	1.0
97.02867	29.9
97.06422	0.7
97.10126	3.6
99.04442	17.2
99.19025	1.0
103.03939	2.7
105.07008	1.2
106.19685	0.7
107.08560	3.0
109.02863	62.8
109.06491	0.9
109.10144	12.0
117.05469	86.0
119.08559	3.8
121.10104	2.7
123.11712	1.3
127.03887	48.7
133.10132	5.5
135.59512	0.8
137.09561	1.1
145.04924	3.2
147.11630	1.4
159.06496	100.0
161.13148	1.0
165.16418	1.0
169.04942	5.7
182.55077	0.7
187.05986	17.5
189.16338	4.5
190.51715	0.9
201.18385	1.6
225.41930	0.7
229.07005	4.5
243.19479	3.2
247.08083	24.8
299.22321	1.0
341.23126	23.5
359.24210	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	640.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01870	0.5
55.05510	3.3
57.03429	13.8
57.07057	0.5
58.61726	0.2
61.02921	3.0
61.79638	0.2
66.94926	0.2
67.05500	3.5
69.03418	7.0
69.07059	3.2
69.54261	0.2
71.04968	2.2
79.05477	2.3
81.03402	6.1
81.06594	0.4
81.07038	6.1
83.04961	0.5
83.08607	2.5
85.02893	7.4
85.06532	0.6
87.04464	0.3
91.05460	2.4
92.09271	0.7
93.07016	3.3
95.04948	1.4
95.08592	6.0
97.02862	7.6
97.06521	1.0
97.10169	2.2
99.04436	2.8
105.03361	1.7
105.07010	2.4
107.08593	2.5
109.02859	3.6
109.06487	1.0
109.10149	4.1
111.07999	0.3
111.11697	0.3
115.39468	0.3
117.05478	10.4
117.06873	0.3
118.26507	0.3
119.08569	3.0
121.10104	2.0
123.04417	0.4
123.11676	1.5
127.03880	4.0
131.08562	0.6
133.10104	2.8
135.08000	0.5
135.11696	0.3
137.09579	0.5
145.04904	1.2
145.10075	0.6
147.11653	1.4
149.09563	0.3
151.11075	0.5
159.06502	100.0
161.13159	0.4
165.16374	0.5
187.05992	0.6
189.16310	2.8
205.07111	1.0
207.17476	1.0
225.12701	0.3
225.18513	1.6
243.19463	2.4
267.08618	0.3
267.15683	0.3
341.23145	1.9
359.24194	1.6
391.18271	0.3
419.26343	1.8
435.41806	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01852	0.8
55.05491	1.0
57.03423	1.0
61.02911	0.4
63.36006	0.2
65.06387	0.2
67.05499	1.3
68.55709	0.2
69.03413	7.8
69.07048	0.8
71.04978	1.5
72.86644	0.2
73.02898	0.4
77.03911	0.4
79.05473	6.3
81.03400	18.3
81.07030	1.8
82.07355	0.3
83.04966	0.8
83.08616	0.3
85.02888	8.2
87.04461	0.2
91.05457	1.2
93.07017	1.0
95.04945	6.6
95.08579	1.4
96.04558	0.2
97.02869	10.6
97.06509	0.3
97.10126	0.2
99.04440	2.3
103.05426	0.2
105.03372	100.0
105.06991	2.5
106.03729	0.3
107.04930	1.0
107.08570	1.3
108.04445	0.3
109.02863	9.6
109.03609	0.3
109.06496	0.4
109.10139	1.2
110.92957	0.2
111.08059	0.5
117.07041	0.7
119.04906	0.2
119.08541	1.1
121.06410	0.2
121.10111	0.8
122.87833	0.2
123.04395	8.9
123.08007	0.3
125.06017	0.2
125.09797	0.2
127.03886	6.4
129.06969	0.3
131.04822	0.2
131.08556	0.4
133.02835	0.8
133.06474	0.5
133.10065	0.4
134.93950	0.2
135.08023	0.8
135.11681	0.2
144.06525	0.4
145.04906	1.4
145.10086	0.8
147.04431	0.8
147.08066	0.3
147.11658	0.3
149.09599	0.2
151.07462	0.2
154.06180	2.2
155.08560	0.2
156.06541	0.3
157.10153	0.3
159.11700	0.3
161.05943	0.4
162.07538	0.2
163.07510	1.6
165.05396	0.2
165.09071	0.5
165.12798	0.3
173.13319	0.2
175.11281	0.2
181.04938	0.3
183.11635	0.2
189.09111	1.1
189.12762	0.2
193.08566	0.3
195.10167	2.4
207.06581	0.3
227.69177	0.2
231.06380	0.6
249.07512	19.3
250.07820	0.2
267.08569	16.8
268.08963	0.3
268.34198	0.2
326.83426	0.2
349.15543	0.2
623.07550	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01852	0.8
55.05491	1.0
57.03423	1.0
61.02911	0.4
63.36006	0.2
65.06387	0.2
67.05499	1.3
68.55709	0.2
69.03413	7.8
69.07048	0.8
71.04978	1.5
72.86644	0.2
73.02898	0.4
77.03911	0.4
79.05473	6.3
81.03400	18.3
81.07030	1.8
82.07355	0.3
83.04966	0.8
83.08616	0.3
85.02888	8.2
87.04461	0.2
91.05457	1.2
93.07017	1.0
95.04945	6.6
95.08579	1.4
96.04558	0.2
97.02869	10.6
97.06509	0.3
97.10126	0.2
99.04440	2.3
103.05426	0.2
105.03372	100.0
105.06991	2.5
106.03729	0.3
107.04930	1.0
107.08570	1.3
108.04445	0.3
109.02863	9.6
109.03609	0.3
109.06496	0.4
109.10139	1.2
110.92957	0.2
111.08059	0.5
117.07041	0.7
119.04906	0.2
119.08541	1.1
121.06410	0.2
121.10111	0.8
122.87833	0.2
123.04395	8.9
123.08007	0.3
125.06017	0.2
125.09797	0.2
127.03886	6.4
129.06969	0.3
131.04822	0.2
131.08556	0.4
133.02835	0.8
133.06474	0.5
133.10065	0.4
134.93950	0.2
135.08023	0.8
135.11681	0.2
144.06525	0.4
145.04906	1.4
145.10086	0.8
147.04431	0.8
147.08066	0.3
147.11658	0.3
149.09599	0.2
151.07462	0.2
154.06180	2.2
155.08560	0.2
156.06541	0.3
157.10153	0.3
159.11700	0.3
161.05943	0.4
162.07538	0.2
163.07510	1.6
165.05396	0.2
165.09071	0.5
165.12798	0.3
173.13319	0.2
175.11281	0.2
181.04938	0.3
183.11635	0.2
189.09111	1.1
189.12762	0.2
193.08566	0.3
195.10167	2.4
207.06581	0.3
227.69177	0.2
231.06380	0.6
249.07512	19.3
250.07820	0.2
267.08569	16.8
268.08963	0.3
268.34198	0.2
326.83426	0.2
349.15543	0.2
623.07550	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.05498	2.6
57.03417	2.6
57.07041	0.9
58.06584	5.9
61.02896	0.5
67.05486	2.3
69.07039	1.7
72.08138	13.4
73.06533	1.0
76.56567	0.5
81.03393	3.5
81.07057	1.9
83.04956	1.2
83.27685	0.5
84.08137	0.7
85.02870	0.6
86.09689	22.8
91.05452	0.5
92.09224	3.2
93.07009	0.7
95.08588	1.1
97.02844	0.7
97.06458	0.5
98.78577	0.4
100.11235	100.0
101.05988	1.9
101.11511	0.6
109.02857	3.1
117.05472	3.1
127.03033	0.5
127.03913	2.6
140.14330	4.3
144.85690	0.5
146.11699	1.1
154.12259	0.9
172.13326	2.7
187.06018	0.6
197.67337	0.5
200.16473	0.9
214.14253	0.7
228.15906	5.9
247.07907	0.5
285.21692	2.5
299.23187	5.4
327.22635	7.0
357.29843	1.2
358.30212	0.8
433.70447	0.6
440.31085	1.2
458.32339	3.4
611.43652	19.2
639.43109	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	639.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01570	0.5
53.03933	6.6
55.01860	7.9
55.05502	24.6
55.05757	1.1
57.03428	13.9
57.07052	0.6
57.83915	0.5
65.03920	1.0
67.05488	26.5
69.03404	14.5
69.07052	8.1
71.01329	0.9
71.04977	6.5
73.02900	1.1
79.05472	32.7
81.03395	100.0
81.07036	32.7
83.04962	21.5
83.05429	1.1
83.08601	20.8
85.02883	25.5
85.06547	1.3
87.04465	0.9
91.05456	34.4
92.08751	4.0
92.09371	1.4
93.03410	0.5
93.07021	20.9
93.07555	1.0
95.04942	31.0
95.08577	12.1
97.02866	11.4
97.06496	6.2
97.10139	10.2
99.04431	3.7
99.08091	1.2
99.27579	0.5
103.05477	0.8
105.03412	1.3
105.07016	26.4
107.04929	10.5
107.08567	11.7
109.02867	17.1
109.06519	6.0
109.10132	5.7
111.04412	11.7
111.08051	11.4
113.05978	2.1
115.05441	3.0
117.06989	5.3
119.04957	1.4
119.08556	22.2
121.06456	5.6
121.10107	9.8
123.04408	2.2
123.08044	3.0
123.11705	2.2
125.05954	1.0
125.09588	4.8
127.03892	6.6
129.06964	13.4
131.04939	2.7
131.08543	13.2
133.06461	5.6
133.10094	10.0
133.10860	0.5
135.04402	1.1
135.08028	2.5
135.11687	2.9
137.05934	0.7
137.09618	3.4
142.07808	3.2
143.08557	1.3
145.06497	3.5
145.10126	4.7
147.04434	1.2
147.08063	3.9
147.11649	15.6
147.12732	0.8
149.05984	1.0
149.09593	5.5
153.12747	3.7
155.08578	2.4
157.06509	1.2
157.10081	14.2
159.08012	1.1
159.11685	0.9
161.05974	1.3
161.13222	0.6
163.11130	4.1
165.09108	0.9
165.12746	3.9
169.10185	1.0
173.04491	1.3
173.09587	1.2
175.11134	12.6
181.12260	3.0
189.11232	1.3
189.12804	1.1
191.10701	2.7
193.12193	34.2
195.11693	0.7
199.11227	0.8
200.68367	0.7
211.13248	33.2
215.14189	0.7
227.12743	2.8
231.13814	0.9
233.15237	0.9
237.12750	0.9
249.14928	0.7
255.13835	1.1
259.13394	0.9
267.15881	16.5
267.18591	0.8
273.14819	2.8
277.14301	0.8
283.15482	2.6
285.10126	0.6
285.16916	9.7
301.14206	4.3
303.15939	0.6
309.17090	0.7
313.16861	0.6
319.15460	0.8
337.16516	1.3
349.21460	0.8
355.17490	2.5
367.22839	1.2
375.18106	0.8
385.23798	3.2
393.19171	2.8
411.20047	2.9
429.21173	2.5
459.27307	13.0
477.28372	16.5
495.29355	14.9
496.29660	0.7
561.30414	2.3
573.30542	0.9
585.30542	3.0
603.31476	3.8
621.32629	16.8
639.33710	28.2
639.44458	1.0
640.34015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.2
53.16787	0.6
55.01861	0.9
55.05499	11.1
57.03424	1.7
57.07056	3.4
58.28211	0.6
59.04980	1.5
61.02897	0.7
63.21663	0.6
67.05142	0.9
67.05486	19.2
69.03413	16.3
69.07049	15.6
71.04977	6.1
79.05469	10.4
81.03394	17.1
81.07031	25.2
83.04967	12.1
83.08604	7.1
85.02892	9.5
85.06514	4.7
90.08871	0.8
91.05453	6.4
92.09144	4.0
93.07018	15.5
95.04951	9.7
95.08578	37.0
97.02855	8.4
97.06490	3.7
97.10137	1.3
99.04411	1.3
99.08061	4.0
105.03368	76.5
105.06997	10.2
107.04945	1.0
107.08575	24.5
107.18822	0.8
109.02856	7.9
109.06499	11.7
109.10136	100.0
110.10422	0.7
111.04420	1.0
111.08062	5.9
113.09623	1.1
117.03317	0.9
117.06989	1.4
119.04924	1.5
119.08557	26.7
119.42744	0.6
121.06479	1.3
121.10114	17.4
123.04428	7.8
123.08043	13.8
123.11680	9.7
125.09612	1.6
127.03907	6.3
127.11191	1.0
129.06990	0.8
131.08516	3.6
133.10098	22.7
135.08025	1.1
135.11662	77.6
137.05968	1.6
137.09595	19.2
137.13174	1.0
139.11142	3.4
141.06996	0.9
143.08553	1.5
145.02766	0.8
145.10104	2.8
147.04376	1.7
147.11678	4.3
149.13219	7.3
151.11156	9.3
151.14815	13.3
152.61855	0.8
153.12709	3.6
157.10066	0.9
159.11565	1.0
161.13225	1.1
163.03889	1.6
165.09085	3.6
165.12761	0.9
165.16353	2.7
167.07045	0.7
175.11342	0.9
175.14777	35.8
188.76073	0.7
189.12582	1.0
193.15842	35.7
211.16893	89.8
249.07494	11.0
267.08551	11.1
296.22675	0.8
333.75165	0.8
383.76050	0.8
432.31424	1.0
443.07281	0.7
459.27234	3.5
621.32825	1.3
639.32727	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	639.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.2
53.16787	0.6
55.01861	0.9
55.05499	11.1
57.03424	1.7
57.07056	3.4
58.28211	0.6
59.04980	1.5
61.02897	0.7
63.21663	0.6
67.05142	0.9
67.05486	19.2
69.03413	16.3
69.07049	15.6
71.04977	6.1
79.05469	10.4
81.03394	17.1
81.07031	25.2
83.04967	12.1
83.08604	7.1
85.02892	9.5
85.06514	4.7
90.08871	0.8
91.05453	6.4
92.09144	4.0
93.07018	15.5
95.04951	9.7
95.08578	37.0
97.02855	8.4
97.06490	3.7
97.10137	1.3
99.04411	1.3
99.08061	4.0
105.03368	76.5
105.06997	10.2
107.04945	1.0
107.08575	24.5
107.18822	0.8
109.02856	7.9
109.06499	11.7
109.10136	100.0
110.10422	0.7
111.04420	1.0
111.08062	5.9
113.09623	1.1
117.03317	0.9
117.06989	1.4
119.04924	1.5
119.08557	26.7
119.42744	0.6
121.06479	1.3
121.10114	17.4
123.04428	7.8
123.08043	13.8
123.11680	9.7
125.09612	1.6
127.03907	6.3
127.11191	1.0
129.06990	0.8
131.08516	3.6
133.10098	22.7
135.08025	1.1
135.11662	77.6
137.05968	1.6
137.09595	19.2
137.13174	1.0
139.11142	3.4
141.06996	0.9
143.08553	1.5
145.02766	0.8
145.10104	2.8
147.04376	1.7
147.11678	4.3
149.13219	7.3
151.11156	9.3
151.14815	13.3
152.61855	0.8
153.12709	3.6
157.10066	0.9
159.11565	1.0
161.13225	1.1
163.03889	1.6
165.09085	3.6
165.12761	0.9
165.16353	2.7
167.07045	0.7
175.11342	0.9
175.14777	35.8
188.76073	0.7
189.12582	1.0
193.15842	35.7
211.16893	89.8
249.07494	11.0
267.08551	11.1
296.22675	0.8
333.75165	0.8
383.76050	0.8
432.31424	1.0
443.07281	0.7
459.27234	3.5
621.32825	1.3
639.32727	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	639.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.8
57.66479	1.9
67.05486	2.2
76.56506	1.9
81.07006	2.1
92.08691	11.2
92.09318	7.6
95.08614	2.0
202.59142	2.3
222.46030	2.0
389.55341	2.4
391.19080	2.7
405.20618	10.5
406.21576	4.2
419.22791	2.8
420.23172	8.1
433.19965	4.5
464.21521	2.7
465.22739	57.2
479.24271	4.6
480.24857	2.5
492.21027	3.3
503.24231	33.0
521.25519	21.5
537.24768	3.8
565.24377	65.7
580.26251	13.4
607.25226	10.3
639.17993	3.7
639.27985	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	639.2807
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.40866	0.9
59.72139	1.0
64.33995	1.2
67.05507	1.9
69.07052	1.2
72.80904	1.0
79.05514	1.3
81.07059	4.4
82.03508	1.0
82.07836	0.9
91.05486	3.9
92.08994	1.2
93.07043	2.2
95.08607	4.4
97.87453	1.0
104.08799	1.1
105.07034	4.3
107.08603	4.5
109.10152	1.9
119.08578	4.6
121.10134	2.6
133.10112	2.6
135.11736	2.2
147.11740	1.5
159.11711	1.3
161.13277	1.4
178.16780	1.2
189.16307	1.4
201.16512	2.3
203.17958	1.9
215.17964	2.1
407.22635	2.3
419.18414	2.6
421.20319	5.2
431.18808	1.6
433.19928	10.1
434.21277	7.5
435.21835	5.2
436.22812	1.2
437.34201	2.5
438.34363	1.4
447.21634	1.6
449.19733	5.0
464.22107	2.4
473.23471	1.7
476.21851	1.4
492.21463	5.1
493.22424	2.3
521.25702	8.0
579.25946	22.1
597.95837	1.2
607.25470	10.1
639.28131	100.0
639.40411	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	639.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73048	4.6
59.04963	6.2
64.33228	6.1
67.05482	8.2
67.28163	4.6
69.07036	6.7
79.05461	9.0
81.07037	7.0
89.98830	5.2
93.07016	10.3
107.08595	7.7
111.79588	4.8
146.00850	5.9
221.66620	5.5
250.41904	5.9
389.17889	5.1
390.18201	7.3
391.18945	8.4
405.20593	34.8
406.21567	8.9
419.22543	6.5
420.23276	10.9
421.23599	11.2
433.85074	6.0
447.21326	8.6
449.23196	20.5
452.21851	24.3
460.22742	5.4
462.20197	21.5
465.23029	6.1
475.20868	6.1
476.22360	5.8
477.22662	26.7
503.24573	11.8
521.24506	6.2
535.81305	6.6
536.24127	31.8
579.29431	16.1
622.27783	83.4
638.30219	7.2
638.42090	6.7
639.31543	100.0
639.41180	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	639.2807
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
50.28994	0.9
64.33609	1.1
92.09180	5.3
172.68228	1.0
309.40448	1.2
377.17737	1.7
378.18506	1.3
391.19034	7.6
392.19888	5.5
405.20575	13.4
406.21350	4.8
407.22125	15.3
417.21091	1.5
419.22183	8.1
420.23093	5.8
421.23755	22.9
421.29013	1.5
422.24512	6.1
429.21542	1.2
433.23782	6.8
435.17999	1.3
436.18652	1.6
445.20032	2.3
450.20395	3.9
451.21332	17.5
452.22073	3.9
461.23456	1.5
463.21399	2.4
465.22797	26.2
466.23788	1.4
478.23328	1.9
488.21918	2.0
492.20999	1.6
493.26263	1.4
503.24435	12.9
504.24588	1.5
507.27527	13.6
508.28091	4.5
520.03076	1.3
523.22949	2.2
535.26917	19.5
537.24927	13.5
551.26190	7.6
552.27185	21.5
561.24774	6.0
579.25751	9.1
580.26495	3.8
595.28937	5.8
621.26990	14.7
639.28009	100.0
640.28009	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2806
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
69.07036	0.3
83.79294	0.3
92.08994	3.8
107.08620	0.5
111.02725	0.4
130.28291	0.4
227.11690	0.4
237.10045	0.5
241.13286	0.5
257.32947	0.4
290.04453	0.6
305.70245	0.5
314.12845	0.6
328.14600	0.7
367.15878	0.4
393.16916	0.7
405.17166	0.6
406.17764	0.6
407.18643	2.4
416.82697	0.4
418.17740	0.5
419.14465	0.8
419.19217	1.5
420.19772	0.8
421.20410	6.9
422.20844	1.7
433.20840	1.4
434.17377	2.0
435.17953	2.6
435.22583	1.5
436.22754	2.9
437.23318	0.6
447.22293	1.5
448.18701	4.5
449.19519	10.1
450.20163	3.1
451.21167	0.5
459.17947	0.9
460.19299	0.6
461.19699	0.6
462.20657	0.7
463.21576	5.9
464.22122	7.9
465.22968	0.8
473.20483	0.6
474.20288	0.7
475.21384	2.3
476.18530	0.8
477.18796	7.2
478.03149	0.4
478.19931	2.0
479.20731	0.8
492.21188	2.3
493.22586	0.7
495.23792	0.5
504.21472	0.5
505.22586	0.7
507.23950	1.5
519.23932	0.6
521.21997	0.8
523.23444	2.0
533.21338	0.6
535.23706	3.4
536.24200	2.1
537.20923	0.8
550.25592	2.0
551.26746	3.3
561.25061	3.8
562.25226	0.6
563.22662	0.7
564.23627	4.5
565.24365	2.1
579.25928	8.6
581.23596	0.9
595.26007	2.8
596.26129	0.6
610.27960	0.6
621.26715	3.6
624.25366	4.8
638.26953	2.2
639.27991	100.0
640.28284	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.8
55.05507	43.9
57.03416	25.5
57.07063	50.9
61.95325	3.6
67.05495	42.2
69.03391	8.7
69.07056	46.5
71.08611	31.6
74.95364	4.1
79.05457	32.1
81.07033	41.9
82.21317	3.6
82.84538	3.8
83.04954	5.9
83.08588	23.6
84.47867	3.7
85.10165	16.5
91.05456	21.4
93.07001	22.8
95.04926	8.3
95.08588	31.8
97.02838	5.0
97.10142	7.7
105.07005	27.2
107.04925	9.7
107.08589	6.9
109.06469	7.6
109.10108	19.9
117.06978	8.0
119.08537	15.7
121.06429	5.6
126.31303	4.5
131.08553	5.0
133.10075	7.7
135.08041	8.0
135.11768	4.2
145.10074	6.6
147.07986	4.9
161.09581	4.5
163.11142	4.5
202.32077	4.1
223.13208	17.2
273.18365	8.5
291.19467	100.0
310.53555	4.4
313.27347	65.7
314.20581	3.9
365.23199	52.4
445.54016	4.0
603.46191	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09222	3.9
55.05500	11.2
67.05481	32.9
69.07037	22.5
70.99027	4.9
73.02897	8.5
73.73290	4.4
79.05467	22.3
81.07028	76.4
83.08599	6.2
86.04884	4.4
90.63489	4.4
91.05466	11.8
93.07012	29.9
95.04951	7.4
95.08577	100.0
105.06993	23.1
107.07944	4.2
107.08565	48.4
108.81737	4.7
109.10141	48.5
117.06979	5.5
119.08534	37.9
121.06548	6.2
121.10134	38.1
123.11640	42.3
131.08563	9.0
133.10051	11.3
135.11647	27.0
137.13242	46.2
139.11160	4.9
145.10106	18.7
147.04378	11.0
147.11653	9.3
149.13219	21.6
153.05324	4.9
157.20210	5.3
159.11658	8.9
163.14799	7.6
171.11603	12.2
173.13216	11.9
175.14787	8.6
177.16269	10.6
179.17931	11.9
189.16325	8.9
199.14761	10.0
201.16357	10.5
203.17813	5.6
213.16359	26.3
215.17868	84.3
238.28633	5.8
243.20963	7.6
269.22403	5.3
275.20041	26.7
388.24066	6.5
393.35141	37.0
453.37207	36.9
471.38214	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	638.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38781	1.4
55.05501	7.0
57.07059	8.4
67.05495	15.9
69.03390	1.4
69.07063	20.7
71.08604	2.4
73.02895	10.4
79.05474	8.6
81.07041	64.8
83.08614	13.3
91.05488	3.7
92.08614	7.0
92.09279	8.0
93.07028	20.4
95.04960	2.3
95.08590	99.7
97.10146	2.9
105.06983	9.1
107.08580	30.4
109.10143	55.6
109.10857	2.6
111.04435	1.6
111.11718	2.0
119.08562	24.1
121.10116	27.9
123.11689	42.5
129.06911	2.1
131.08537	9.1
133.10130	16.1
135.11676	18.9
137.13242	49.4
143.08554	3.4
145.10121	11.0
147.04384	6.5
147.11690	15.8
149.13266	16.8
157.10117	2.8
159.11659	18.5
161.13248	3.0
163.14717	5.5
167.10692	1.7
171.11649	18.0
173.13257	17.8
175.14774	15.1
177.16348	23.0
179.17953	13.6
183.11607	1.7
185.13318	3.1
187.14824	8.3
189.16408	14.0
191.17943	6.9
199.14780	8.4
201.16364	20.4
203.17934	8.3
205.19559	6.6
212.15622	6.3
213.16344	36.3
215.17929	100.0
217.19528	2.0
219.20976	2.3
243.21049	12.8
255.21069	8.5
257.22696	1.9
261.18369	3.3
269.22598	6.0
273.18372	6.1
275.20044	24.8
306.25623	1.7
323.27744	1.8
351.30243	2.2
393.35104	48.7
411.36093	3.0
453.37189	43.3
471.38367	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61606	1.9
55.05504	17.5
57.07063	12.8
58.88939	2.4
65.74290	2.2
67.05495	26.0
69.07058	48.6
79.05472	18.6
81.07036	52.7
81.75771	2.4
83.08604	23.0
83.12326	2.4
91.05460	16.3
92.09116	11.9
93.07023	34.1
94.17728	2.8
95.08589	86.3
97.10155	3.0
105.07011	50.7
107.07852	4.2
107.08570	61.3
109.06484	2.9
109.10137	68.3
109.10841	3.7
111.08046	2.5
117.33137	2.7
119.08562	70.4
120.93072	2.3
121.10128	43.7
123.11686	25.0
129.07034	2.7
131.08569	19.8
133.10098	43.0
135.11687	30.9
137.09549	2.7
137.13274	19.5
143.08530	17.1
144.09355	3.5
145.10095	40.6
147.11678	45.3
149.09575	3.0
149.13248	11.9
157.10126	24.2
159.11655	39.2
161.13229	28.1
163.14799	11.5
169.10069	11.1
171.11647	28.2
172.12450	3.1
173.13177	24.8
175.14816	11.4
177.16371	3.4
183.11653	12.6
185.13275	20.5
187.14815	36.2
189.16347	44.1
197.13245	13.5
199.14809	17.4
201.16328	30.0
202.84656	2.9
203.17987	9.9
207.17380	19.1
209.13068	3.2
211.14841	13.5
213.16348	14.0
215.17938	14.1
217.19548	10.2
223.14679	3.3
225.16357	5.3
227.17851	18.8
239.17757	4.7
241.19388	13.2
245.18933	13.8
253.19475	3.6
255.20959	2.9
257.22693	3.4
263.19986	3.1
267.21054	16.3
279.20853	3.5
285.22128	21.4
295.24277	3.8
297.25696	3.2
303.23187	43.9
315.26898	2.9
323.27347	12.6
341.28424	10.1
349.28967	3.4
405.35107	34.4
423.36108	100.0
441.37204	3.3
470.28955	3.2
499.58710	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	638.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	20.6
57.03413	2.0
57.07067	21.9
59.60926	1.6
67.05502	17.0
69.07051	24.8
69.24534	1.5
71.08618	13.6
79.05482	3.6
81.07035	21.5
83.08605	21.1
84.83733	2.0
85.10163	9.1
93.07014	9.4
95.04949	1.7
95.08594	21.5
97.06517	3.6
97.10152	9.7
105.03377	2.0
105.07010	3.3
107.08586	10.8
109.10162	9.1
111.08040	2.6
117.06940	2.1
121.10109	3.2
149.13264	9.3
167.14270	2.7
228.19600	2.0
241.17934	4.4
250.16847	1.9
282.27808	2.6
290.09656	1.9
313.27411	3.8
388.66235	1.9
452.43112	2.5
474.19855	2.1
497.41989	100.0
498.42294	2.2
560.23853	3.0
561.24579	3.9
638.26752	9.0
639.27911	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	638.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.3
53.03931	1.4
55.01859	3.4
55.05483	0.9
56.77597	0.6
57.03428	32.6
59.05000	6.1
60.04505	3.5
61.02904	4.2
61.15903	0.7
67.05479	1.1
69.03416	100.0
71.01350	1.0
71.04956	1.4
73.02892	3.7
75.04443	3.7
76.57472	0.7
79.05465	3.2
81.03402	9.0
81.07037	1.5
85.02891	82.7
87.04451	57.2
91.03902	1.3
91.05454	0.7
93.06998	1.1
95.04928	4.3
97.02869	88.9
99.04433	5.5
99.81497	0.7
100.15633	0.7
101.02335	1.0
103.03914	1.3
105.03379	22.5
105.07014	4.7
107.08590	0.7
109.02850	6.5
111.04430	1.6
115.03912	74.6
119.08501	1.0
121.10081	0.9
123.04387	3.1
124.05183	1.2
126.08753	0.9
127.03883	10.1
131.04918	1.3
133.04947	66.2
135.04382	3.5
137.05971	4.5
139.03885	0.9
145.02757	0.9
145.04955	14.4
147.04405	1.2
150.07582	1.1
160.18062	0.9
163.03868	7.8
163.06003	4.8
165.09082	4.0
167.06973	1.6
175.05948	1.1
179.13312	0.8
189.05453	1.4
189.09062	1.1
189.11386	0.8
201.09106	1.5
220.57158	0.7
229.06999	0.9
241.06870	1.7
247.05908	1.2
249.07539	1.8
259.07977	7.9
261.10883	0.8
267.08569	1.4
277.09125	4.2
289.07047	1.3
295.10101	7.4
307.07877	1.1
325.11319	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
53.73138	0.2
55.01855	0.3
55.05498	0.9
57.03425	0.5
59.04984	0.2
61.02906	0.3
67.05496	1.2
69.03413	4.6
69.07047	0.8
70.06583	0.2
71.04971	1.1
79.05476	3.7
81.03394	8.2
81.07030	2.0
82.07354	0.2
83.04967	0.9
85.02886	4.3
85.03365	0.3
85.06519	0.8
87.04471	0.2
89.03899	3.0
91.05463	0.5
92.09037	0.8
92.42622	0.2
93.07020	1.7
95.04948	3.6
95.08586	2.0
97.02867	4.4
97.06509	0.4
97.10131	0.5
99.04447	1.4
99.08061	0.3
104.05326	0.3
105.03371	39.5
105.07008	1.7
106.03701	0.3
107.04927	1.8
107.08584	2.1
109.02853	5.2
109.10149	1.1
111.04412	0.8
111.08060	0.3
117.03357	5.8
119.04897	0.8
119.08518	1.4
121.02782	0.2
121.10118	1.1
123.04399	3.0
123.08055	0.4
125.06017	0.3
125.09577	0.5
127.03889	3.2
129.05482	0.2
131.08528	0.8
133.10097	0.9
135.04384	16.1
135.11653	0.3
136.04688	0.2
137.05972	0.2
139.03809	0.2
145.02827	13.4
145.04919	0.4
145.10071	1.1
147.04416	1.1
147.11650	0.8
149.09624	0.3
153.05457	1.6
159.11639	1.0
161.09593	0.4
163.03868	100.0
164.04199	1.0
165.09001	0.3
171.11528	0.2
173.13220	0.4
177.05438	0.9
193.07028	1.1
195.06505	0.3
203.03345	0.3
203.18045	0.2
231.06412	0.3
249.05122	0.3
249.07530	5.9
249.09885	0.2
267.08542	4.4
279.04578	0.2
279.19595	0.3
287.05460	0.4
339.07089	0.3
355.10190	1.1
429.11426	0.5
461.63617	0.2
551.58350	0.2
598.84485	0.2
638.17169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
55.05279	1.2
55.05495	11.9
57.03428	5.0
57.07055	2.5
59.04981	1.3
59.32297	0.9
61.02885	1.3
67.05488	23.7
69.03417	2.7
69.07056	19.8
73.02911	14.9
79.05456	13.2
81.07034	68.6
83.04958	2.5
83.08617	11.1
85.02904	2.7
91.05434	13.4
92.08768	1.5
92.09254	1.4
93.07021	40.4
95.04951	4.6
95.08584	100.0
97.06520	2.0
97.10158	6.3
105.03397	1.7
105.07010	27.8
105.57471	1.1
107.08577	60.2
109.10145	41.3
111.08069	6.2
111.11707	1.4
117.07008	4.4
119.04941	1.2
119.08555	50.0
119.09389	1.9
121.10117	47.9
123.08058	1.2
123.11686	21.5
129.06960	2.4
131.08545	14.7
133.10103	35.5
133.11021	1.6
135.11662	30.3
137.13199	14.0
139.11148	11.4
143.08517	15.1
145.10115	21.1
147.04401	2.4
147.11671	25.7
149.13219	22.5
151.14824	1.1
157.10124	8.7
159.11682	20.5
161.13179	17.2
163.14775	13.2
165.09068	1.1
169.10188	4.2
171.11646	15.1
173.13226	26.2
175.14783	22.8
177.16344	36.6
178.52086	1.2
183.11705	2.0
185.13196	6.8
186.13988	1.3
187.14766	12.6
189.16359	21.7
191.17993	4.8
195.17404	27.4
197.13306	5.8
199.14767	16.4
201.16357	23.3
203.17938	14.2
207.17448	1.8
208.12158	1.3
210.20148	1.2
211.14812	7.4
213.16344	57.9
215.17903	73.9
217.19585	5.7
219.17418	1.9
225.16310	2.4
227.17924	6.4
229.15941	1.2
229.19505	3.9
231.17375	1.9
233.15359	2.2
233.19026	1.8
235.16978	1.6
239.17767	1.8
241.19362	8.3
243.21103	5.7
253.19574	1.4
255.21077	4.2
257.22476	1.4
259.16873	4.7
261.18478	6.5
267.20999	14.8
269.22607	5.0
273.18378	2.2
275.20004	12.6
281.22842	1.4
285.22296	1.3
321.25778	1.7
351.30203	5.0
379.33362	2.5
391.33429	25.3
409.34555	28.8
411.32440	2.3
427.35724	11.4
437.34052	14.4
439.35669	4.6
451.35706	16.8
455.35251	11.7
457.36819	8.6
469.36639	19.4
487.37683	25.5
567.21771	1.1
637.31372	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	637.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.1
53.03934	10.2
54.49021	0.8
55.01859	16.7
55.05503	32.2
57.03421	14.1
57.07046	1.3
59.04995	1.0
60.98598	0.9
61.02922	2.3
61.85167	0.8
63.51956	0.7
65.03913	2.2
67.05139	1.5
67.05490	35.9
69.03417	20.7
69.07047	12.2
71.01337	1.3
71.04978	11.3
73.02900	1.7
79.05471	41.5
81.03399	100.0
81.07034	36.7
83.01334	6.5
83.04966	29.2
83.08599	20.0
85.02882	20.3
85.06525	3.8
90.74065	0.9
91.04910	0.9
91.05457	30.8
92.08731	3.5
92.09327	2.2
93.07024	32.6
93.07568	1.7
95.04946	32.3
95.08581	17.5
97.02876	19.0
97.06515	9.5
97.10152	10.7
99.04433	6.3
103.05453	5.0
105.03371	6.2
105.07005	28.8
107.04940	15.5
107.08574	23.6
109.02850	23.6
109.06512	9.7
109.10130	8.1
111.04422	14.0
111.08042	9.7
114.75067	0.9
115.05392	1.4
116.21735	0.9
117.06995	10.2
119.04984	2.2
119.08549	21.9
121.06472	10.0
121.10123	12.4
123.04396	3.5
123.08028	7.0
123.11687	1.6
125.05960	1.6
125.09588	7.8
127.03882	7.7
129.05472	1.6
129.06975	8.5
131.04907	18.7
131.08514	11.4
132.05296	2.1
133.06447	4.5
133.10117	9.8
135.04475	1.1
135.08047	4.3
135.11661	11.5
137.05991	1.8
137.09570	2.2
141.06982	1.8
142.07779	2.0
143.08578	5.2
145.06494	1.9
145.10101	16.5
147.04427	4.2
147.08067	2.3
147.11667	10.2
149.05983	5.1
149.09634	6.0
152.09067	1.0
153.12704	10.1
155.08580	2.4
157.06419	1.6
157.10074	8.0
159.08023	1.5
159.11685	1.2
161.05989	4.4
161.09557	1.5
163.11134	20.2
165.09074	10.9
165.12692	1.9
171.11655	1.3
173.04478	1.5
173.05925	1.0
173.09608	4.7
175.11176	7.7
181.12190	8.3
183.11722	1.4
187.11137	1.1
189.09158	1.5
189.11166	4.1
191.10663	5.2
193.12195	20.9
205.12338	1.6
209.11696	3.9
211.11330	2.2
211.13219	23.5
223.13382	1.2
225.12816	1.2
227.12683	9.8
229.14542	1.4
231.13831	1.3
247.13396	1.3
255.13966	1.1
265.14267	1.4
267.15948	5.9
271.13177	1.0
273.14844	1.3
273.82797	1.2
283.15384	10.0
285.16895	3.7
289.14325	1.4
319.14893	1.3
353.15753	1.9
355.17416	1.8
383.22113	5.8
409.18552	1.0
411.20041	1.7
427.19403	2.1
457.25635	7.1
475.26767	23.7
493.27887	18.0
501.81012	1.0
559.29034	1.7
583.28784	1.7
601.29736	2.3
619.30896	12.1
637.31934	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25293	1.9
56.29242	2.2
64.94658	2.5
67.05493	4.1
71.07661	1.9
71.14815	2.3
81.07030	3.1
92.09155	19.4
93.39107	2.2
101.20365	2.4
109.10094	3.1
176.70613	2.5
222.09584	2.5
269.66086	2.7
383.01294	2.7
390.88901	2.6
433.20148	2.8
447.37460	2.8
475.21341	3.3
476.21683	15.1
562.25677	14.3
577.28326	3.8
617.96985	2.9
637.30096	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	637.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
159.64439	0.5
325.77182	0.5
374.16446	0.7
389.18698	1.0
391.19150	2.4
392.20413	1.0
400.16916	1.0
401.17581	1.2
403.19025	1.3
404.20755	1.9
405.20859	6.1
406.21573	5.3
407.21576	0.6
413.17697	2.3
414.18442	3.2
415.19104	6.6
417.20959	1.0
419.22461	2.9
420.23050	6.6
421.23740	12.4
427.19553	2.3
428.20078	2.6
429.20700	16.6
429.25934	1.0
430.21643	4.6
431.22775	1.0
433.19916	2.7
433.24518	2.2
434.24698	2.4
442.21396	2.5
443.22354	9.0
444.23697	5.2
445.20316	3.7
446.20657	0.7
447.17374	1.2
452.21896	1.0
456.19379	1.2
457.19702	2.6
457.24057	3.2
458.24768	8.0
459.21851	10.4
460.22391	5.9
461.19135	7.5
470.21170	1.2
471.21805	1.0
472.22763	6.1
473.18961	1.0
473.24124	2.2
475.20651	4.5
476.21811	7.8
479.24429	0.7
484.18341	0.7
485.23315	14.9
486.19611	1.5
486.24133	3.9
487.21271	1.2
488.21884	4.8
489.23206	1.1
491.24258	1.0
499.21240	0.9
500.22009	1.2
503.24292	20.4
503.31467	0.8
505.22211	0.8
513.22845	3.4
514.23450	1.1
517.25800	9.2
529.26221	2.5
535.26947	27.2
545.25378	86.2
546.25891	2.2
563.26294	7.1
573.24933	22.1
577.27570	2.1
578.28632	0.9
605.27490	61.3
636.41180	0.7
637.30121	100.0
638.30115	2.7
669.70044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40726	0.4
56.89187	0.4
69.07013	0.5
88.10569	0.5
92.08992	3.7
170.52251	0.5
403.19449	1.0
404.19962	0.7
415.19357	1.3
417.20840	3.0
419.22223	2.4
430.17896	3.3
431.17831	4.2
432.18408	0.9
432.23672	0.9
443.18814	2.9
444.19513	2.9
445.20023	13.9
446.20944	3.4
447.22247	1.9
458.20959	9.8
459.21695	6.9
460.22729	6.7
461.19461	4.6
471.21835	0.8
475.21198	3.0
476.21912	2.6
477.22910	2.6
484.55988	0.6
487.25116	0.7
490.24332	0.9
491.24445	0.7
504.25351	0.7
505.22372	2.0
517.22412	1.0
518.23138	6.1
531.24335	0.6
533.25403	4.0
535.22827	1.6
545.25385	2.0
546.26233	2.6
549.25146	0.7
573.25403	0.7
577.27826	2.2
592.27234	0.6
605.27435	19.4
606.28680	0.7
637.30090	100.0
638.30682	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2654
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
53.03925	1.2
55.05496	1.5
67.05508	1.4
79.05482	5.3
80.67548	1.0
81.07043	2.1
82.40292	1.0
92.08852	8.8
95.04964	4.8
95.08643	1.7
104.04976	6.4
105.07057	2.0
118.06561	1.4
119.08556	1.8
120.08097	1.9
134.06006	16.2
134.46796	1.0
139.49065	1.1
144.04425	1.5
172.03966	2.9
178.04944	19.7
204.06560	4.8
221.10742	1.4
223.08676	1.5
223.12294	1.5
225.10355	1.4
227.11835	1.6
235.08594	2.7
237.10204	5.4
249.10243	6.0
250.10754	1.7
251.08098	6.1
251.11928	2.1
253.13377	1.9
261.10284	1.5
265.09686	4.5
277.09717	6.6
279.11212	2.8
281.12784	1.7
290.99402	1.1
293.09631	1.3
293.12888	1.9
297.12656	1.4
305.09128	1.4
309.12253	1.8
311.14041	1.4
312.11374	1.9
314.12885	1.8
325.12051	1.8
326.12820	5.7
328.14282	1.8
337.11685	12.2
338.12811	1.7
339.13583	1.8
340.14474	5.8
342.16013	1.7
353.11633	2.0
354.12302	2.3
354.16116	1.7
356.13916	1.9
358.15485	2.6
366.12262	1.7
367.13412	1.6
368.13998	1.9
370.15616	1.7
382.15292	2.2
383.16354	1.5
384.17502	1.5
395.12448	1.9
410.14969	2.7
428.15710	1.3
442.17459	4.7
444.19165	2.7
447.18146	1.5
449.19705	2.0
456.15601	1.6
462.19934	1.9
470.17105	7.2
475.22241	1.7
478.91486	1.3
490.20416	1.8
503.20874	5.1
535.23486	21.0
545.21887	2.3
561.23981	1.7
563.22278	2.1
573.22180	1.7
577.24390	23.5
595.25201	6.0
605.23785	47.3
637.26392	100.0
637.42950	5.4
638.26605	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66698	1.4
55.05497	1.6
60.46957	1.5
62.99646	1.8
63.91791	1.3
67.05467	2.1
79.05456	1.8
87.45675	1.8
88.93398	1.7
88.96833	2.0
90.49801	1.8
92.08987	8.4
92.64619	2.3
99.03188	1.9
162.05396	2.2
182.08276	2.1
194.08347	2.6
195.09096	7.2
196.09808	2.9
197.10703	8.1
198.52734	1.7
207.09184	10.1
208.07657	2.2
208.09923	6.8
209.06982	2.3
209.10722	15.5
210.05885	2.0
210.11490	10.9
221.07031	2.4
221.10805	2.4
223.08656	15.3
223.12357	8.8
224.09422	26.8
224.12997	2.5
225.10191	11.0
225.13850	13.5
226.14519	2.1
235.08658	11.0
236.09212	3.1
237.10295	7.9
238.06892	2.1
238.10970	3.4
251.08035	7.7
251.11700	8.6
253.13293	30.0
255.11127	7.1
256.12067	7.6
263.08026	8.0
264.08997	9.7
265.09650	7.8
266.10486	3.0
267.07568	2.7
271.14316	3.2
279.11246	10.9
281.09149	7.0
281.12646	2.8
291.07599	8.1
293.09125	4.0
295.07187	3.2
297.12302	12.4
309.08582	3.0
310.09381	4.0
325.11829	9.5
351.09641	35.8
369.10757	49.0
432.09033	1.9
517.22296	4.1
573.21704	2.2
577.24384	34.4
605.23828	100.0
606.24060	3.2
637.26611	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	637.2653
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
50.45029	1.5
69.07054	3.0
71.92700	1.9
79.05488	2.1
81.07049	8.2
83.08587	2.2
89.05991	1.6
91.05450	2.3
93.07026	3.6
95.08623	7.8
107.08591	2.9
109.10159	2.5
115.79801	1.7
119.08588	3.7
173.77028	1.9
173.98083	1.9
189.16483	2.4
343.78503	2.0
403.19278	3.1
408.90753	2.4
417.16754	2.7
419.22284	3.4
445.19971	4.8
446.20670	4.6
447.22076	2.7
463.20984	2.8
490.20013	10.3
491.20868	13.2
503.20947	3.8
533.25806	3.3
577.24231	30.7
637.26465	100.0
637.43335	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2651
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
53.16740	0.3
73.11250	0.4
78.17390	0.3
92.08920	2.1
106.52659	0.5
129.85645	0.4
136.05807	0.4
149.70499	0.4
157.94217	0.4
195.09184	0.5
200.55878	0.4
221.10675	0.4
263.11417	0.5
267.04263	0.5
273.93152	0.4
277.11954	0.4
342.23630	0.4
363.16147	0.7
374.16293	0.8
377.17279	0.8
378.18066	0.7
386.15213	0.6
387.15927	0.9
388.17831	0.6
390.18823	0.7
391.19025	1.9
392.19757	2.3
393.20630	2.9
399.16101	3.4
400.17038	4.3
401.17639	5.1
402.18314	0.9
404.19998	0.5
405.21030	1.5
407.22446	3.7
413.17654	2.5
414.18552	5.8
415.19150	11.3
416.19943	1.0
417.20868	1.8
418.18579	0.5
419.22403	0.6
421.20020	3.9
425.17462	1.1
426.17963	0.5
427.19125	2.5
428.20584	4.2
429.21140	11.0
430.21387	2.4
431.17960	0.7
432.19495	0.5
434.21124	0.6
435.21805	2.5
436.22586	0.8
439.19586	1.5
441.16956	2.0
442.17731	2.0
443.18143	4.9
443.22473	5.0
444.18384	4.7
444.24185	0.8
445.20148	1.0
447.17334	0.7
455.18359	0.7
456.19528	0.9
457.20474	6.0
458.21021	4.5
461.19281	0.5
469.16226	0.8
471.22049	8.4
472.23148	6.2
473.19067	4.8
474.20239	2.2
475.21759	0.6
484.18536	0.7
485.19528	4.0
486.20621	7.4
487.21436	4.0
488.22000	0.9
489.23096	1.0
490.19351	3.5
491.20172	0.7
499.21225	11.2
500.22842	3.2
502.19873	0.7
503.24863	5.2
513.18811	0.8
514.20087	0.6
516.21234	0.9
517.22119	5.9
518.23041	1.0
527.20618	3.8
528.21167	0.6
531.23907	14.8
543.23401	2.2
545.21722	0.8
549.25104	0.9
559.23279	92.7
560.23834	5.2
578.24652	1.7
587.22760	14.1
588.22546	0.7
619.25378	100.0
620.25342	4.4
637.26434	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	637.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71368	0.4
55.05499	0.8
57.07061	0.8
57.50877	0.5
67.05499	0.7
69.07047	0.6
81.07047	1.0
83.08598	0.6
90.28745	0.5
92.08580	1.3
92.09214	4.7
93.07046	0.9
94.84986	0.5
95.08609	0.5
109.10081	0.6
121.10120	0.6
132.56956	0.6
144.26802	0.6
174.13669	0.6
209.10793	0.7
221.10739	0.7
263.11731	0.6
284.12686	0.5
366.27213	0.6
374.16537	0.9
376.17255	0.7
377.17596	3.0
378.18488	1.3
387.16193	0.9
391.19150	4.9
392.19992	2.7
393.20746	4.5
399.16129	1.3
400.16779	1.2
401.17816	4.8
402.18527	0.7
403.19150	0.7
405.16522	0.9
405.21085	1.9
406.21692	0.8
407.22226	8.9
413.17737	2.6
414.18655	4.1
415.19305	7.5
416.20148	1.2
417.16568	0.8
417.21329	0.8
419.18246	0.8
421.20007	4.4
427.19495	0.7
428.19867	3.1
429.21140	7.1
430.21478	2.5
431.18655	3.0
432.19766	0.8
433.15747	0.8
433.20749	0.8
434.21075	1.1
435.21573	6.3
436.22559	2.2
441.17026	1.1
442.17413	1.0
443.17816	1.1
443.22531	3.1
444.19373	3.3
444.24329	0.8
445.20236	3.0
446.20810	0.8
447.18082	3.0
448.18732	2.2
456.19724	1.1
457.20099	3.7
458.20901	3.7
459.18222	2.5
461.19711	3.1
462.20718	2.7
463.21378	3.6
471.22232	6.3
472.23328	4.4
473.19171	4.1
474.20587	3.1
475.17084	0.7
475.21820	0.9
477.19147	0.8
484.18732	0.9
485.20316	4.7
486.20526	4.4
488.22467	0.9
489.18942	3.4
489.23840	2.1
490.19266	4.6
491.20776	2.4
499.21313	7.8
500.21841	2.6
501.22113	0.7
503.24167	1.2
513.18915	5.4
516.21881	2.3
517.22339	15.9
518.22687	3.4
521.25378	1.0
521.37958	1.0
527.20624	3.0
528.21375	0.6
529.21863	0.9
531.24115	10.2
545.22412	0.8
549.24829	10.3
550.25305	1.2
559.23303	53.7
560.23352	0.8
577.24237	3.3
578.24890	2.3
587.22778	11.5
591.26019	3.4
605.23724	5.5
619.17426	0.7
619.25378	46.8
637.26453	100.0
638.26746	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	637.1763
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
51.02391	0.5
53.03939	15.3
54.81701	0.3
55.01870	5.5
55.05257	0.5
55.05504	7.6
57.03431	9.3
59.04992	0.6
61.02593	0.5
61.02913	11.8
67.01842	0.5
68.99767	0.5
69.03416	78.7
71.01339	2.3
71.04977	9.1
73.02903	10.1
79.05459	0.4
81.03401	100.0
81.07022	0.6
83.01323	1.5
83.04967	43.0
85.02890	95.9
87.04461	1.9
91.05501	0.5
92.08957	1.8
95.04945	1.5
97.02870	39.2
97.91418	0.3
99.00790	0.4
99.04436	23.7
101.02367	1.6
101.06007	0.6
103.03920	8.0
103.05396	0.4
105.03420	0.4
107.04954	1.5
109.02863	94.2
111.00806	0.6
111.04428	21.1
115.03911	2.6
121.02857	4.6
121.06467	0.4
125.02314	0.5
127.03894	96.9
129.05458	1.7
133.02861	0.4
133.04921	2.4
135.04449	0.8
137.02370	0.6
139.03918	1.4
141.29707	0.4
145.02975	0.4
145.04936	14.3
147.04355	0.5
151.03960	0.4
153.01819	5.4
153.05437	0.4
157.06482	0.4
163.07613	0.4
165.01845	2.4
167.07007	1.2
169.04938	19.4
175.04059	0.4
177.05417	1.3
177.81662	0.4
180.21631	0.4
183.02884	0.6
187.05988	50.5
194.88177	0.4
205.07054	36.2
213.05469	2.1
231.06380	0.8
237.07544	0.8
241.04869	0.5
255.08658	0.5
258.05212	1.8
283.06052	0.5
287.05450	92.6
297.09479	0.4
299.05408	1.5
315.10638	0.8
322.65872	0.4
329.06503	4.3
397.09085	1.5
415.10092	0.8
637.16785	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27316	0.4
53.03938	3.8
55.01860	2.5
55.05505	18.2
57.03426	5.2
57.07055	1.1
59.04997	0.8
59.94882	0.5
61.02906	3.8
67.05495	5.9
69.03418	20.5
69.07055	3.3
71.04660	0.7
71.04984	12.1
73.02905	1.1
79.05479	3.3
81.03400	20.7
81.07029	6.7
83.04967	100.0
85.02890	34.9
85.06528	22.9
85.07011	1.1
86.03246	0.6
86.06855	1.4
87.04494	1.1
87.25040	0.5
88.83192	0.6
91.05471	3.7
93.07034	6.5
95.04954	4.9
95.08598	6.4
97.02871	41.1
97.06499	2.0
97.10147	3.3
99.04434	6.8
99.08060	16.2
101.02395	0.7
103.05493	0.6
105.03374	4.4
105.07010	5.3
106.07380	0.6
106.38725	0.5
107.04914	2.0
107.08582	5.1
109.02859	11.2
109.06504	3.3
109.10156	4.6
111.04428	56.9
111.08009	0.9
113.09650	1.0
117.07033	0.7
119.04906	2.4
119.08544	6.1
121.02844	3.2
121.06504	1.3
121.10116	5.2
123.04443	0.8
123.08070	1.2
123.11698	1.2
125.09616	2.8
126.70558	0.6
127.03886	12.9
129.05470	6.8
131.08586	0.7
133.10146	3.8
134.10497	0.6
135.08052	0.7
135.11667	1.2
137.02301	0.8
137.09547	1.1
139.11197	1.0
142.36423	0.6
143.08582	0.7
145.04935	10.5
145.10117	3.7
147.04385	17.3
147.11682	3.6
148.04791	0.9
149.04951	0.9
149.09566	0.9
150.05400	0.7
153.01802	3.9
157.10136	3.2
159.11725	1.1
163.07561	0.9
165.01830	1.2
165.12714	0.7
167.07007	3.2
171.11745	1.2
175.14839	0.8
177.05534	0.8
177.12688	0.7
179.14333	0.9
180.89899	0.5
183.02808	0.8
185.13206	1.3
186.13680	0.6
187.05977	9.7
191.03178	0.6
199.14833	0.9
201.16411	2.2
203.14389	0.9
205.07086	1.0
207.06430	0.6
209.04169	2.2
237.07603	2.3
241.04887	0.7
241.19505	0.9
259.20517	9.8
260.20938	3.7
269.06439	1.2
277.21625	5.2
278.22000	2.0
287.05399	92.8
287.42490	0.6
288.05783	0.8
295.22537	0.6
370.54495	0.6
373.08932	3.5
391.09732	2.7
433.10980	33.9
439.26944	3.7
440.27319	1.3
637.17273	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93660	0.3
53.03925	2.6
55.01853	1.8
55.05268	0.4
55.05507	8.9
57.03429	7.4
59.04986	0.6
60.43601	0.3
61.02685	0.3
61.02916	4.8
61.76913	0.3
69.03417	25.7
69.07078	0.4
71.01317	1.6
71.04977	22.8
73.02890	2.2
75.04456	1.9
79.05460	0.5
81.03401	13.5
81.07022	0.8
83.01306	2.1
83.04966	49.9
85.02890	69.3
87.04449	2.0
91.05455	0.6
92.08948	0.4
93.07002	0.6
95.04929	0.7
95.08607	0.6
97.02871	33.3
99.04437	10.1
101.02364	0.4
101.05979	0.4
103.03970	0.5
103.15219	0.4
105.03364	0.8
105.07019	0.5
107.08580	0.8
109.02863	28.7
111.00811	0.6
111.04421	18.2
115.03889	0.5
119.04911	0.4
119.08558	0.9
121.02853	4.0
127.03897	29.5
129.05469	8.0
133.02757	0.5
135.04431	0.6
137.02324	1.5
139.03854	1.4
145.04936	7.8
145.06192	0.5
145.06448	0.5
145.10069	0.5
147.04373	1.8
147.06494	0.7
153.00754	0.4
153.01759	3.3
157.06462	0.4
163.03925	0.9
165.01817	1.6
169.04930	3.2
169.06270	0.4
171.06517	0.5
177.05373	0.5
183.02800	0.9
187.05974	12.8
189.07536	0.6
205.07048	22.1
213.05421	0.7
231.06467	0.6
237.07434	0.6
241.05005	0.5
258.05185	1.5
269.45480	0.4
287.05444	100.0
288.05716	0.5
329.06494	1.6
523.34058	0.4
637.17242	3.5
668.71204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.7
55.05503	4.8
57.03426	1.3
57.07055	2.0
59.04977	0.7
67.05139	0.5
67.05489	11.7
67.49298	0.3
69.03412	6.9
69.07053	22.8
71.04949	0.7
71.08595	0.7
79.05101	0.3
79.05476	4.5
81.07037	16.6
83.04968	3.0
83.08607	4.0
85.02872	0.5
85.06525	0.7
91.05460	8.0
91.47200	0.4
92.05777	0.6
92.08767	0.5
92.09243	0.5
93.07025	8.1
94.07317	0.4
95.04938	1.3
95.08582	37.4
96.08919	0.7
97.06512	2.7
97.10150	1.3
99.04438	0.6
99.08068	0.6
102.12100	0.3
105.07008	12.9
106.07381	0.3
107.04927	1.3
107.08576	14.0
108.08927	0.7
109.06512	1.3
109.10139	26.3
110.10468	0.3
111.08080	0.7
113.09641	0.7
117.06991	1.4
119.04919	8.9
119.08562	11.9
120.05236	1.5
120.08913	0.6
121.06486	0.5
121.10118	12.1
123.04420	1.7
123.08033	9.3
123.11671	3.8
125.09587	0.6
128.06218	0.4
129.06970	0.6
130.07777	0.5
131.08539	5.7
133.10101	16.3
134.10468	0.3
135.08015	0.5
135.11665	4.5
136.12035	0.4
137.09595	0.6
137.13235	2.1
141.09084	15.7
142.07770	0.7
143.08553	4.9
144.09344	0.5
145.10118	8.3
146.10582	0.4
147.04387	27.5
147.08047	0.4
147.11662	6.7
148.04712	6.2
148.12030	0.6
149.09610	0.7
149.13217	3.7
151.11227	0.3
151.14867	0.4
155.08572	1.7
156.09276	1.2
157.10097	8.6
158.10732	0.3
159.11659	13.8
160.12064	1.1
161.09578	0.6
161.13252	4.9
162.13515	0.4
163.14810	1.3
165.05484	1.1
165.06917	0.4
165.16391	0.5
167.08517	1.3
167.10672	0.4
168.09262	0.3
169.10088	4.9
170.10847	1.2
171.07986	3.8
171.11629	7.3
171.12955	0.4
172.12378	0.3
173.09695	0.5
173.13222	7.3
175.11302	0.3
175.14783	3.8
177.16327	1.8
181.10106	1.9
182.10869	0.5
183.11626	4.9
185.09583	1.2
185.13206	7.7
187.14745	5.2
189.16380	2.6
190.16736	0.5
191.17941	0.4
193.10095	0.6
194.10808	0.4
195.11649	4.1
196.12436	0.7
197.13239	4.3
198.09676	0.5
199.11197	0.6
199.14783	3.6
201.12720	0.7
201.16338	4.9
203.14337	1.2
203.17979	0.7
204.10284	0.4
205.15858	0.4
207.11656	1.9
208.12434	1.4
209.13158	3.0
210.14006	0.7
211.14763	4.1
213.12752	0.4
213.16309	3.7
215.17892	2.7
217.15874	0.6
217.19521	0.4
221.13211	0.7
222.13994	1.5
223.14728	3.1
225.16371	2.8
227.17882	3.1
229.15846	0.6
229.19443	0.6
235.14714	0.7
237.16269	4.6
238.16840	0.3
239.17961	3.1
241.19449	0.4
243.17473	0.5
245.15294	0.4
247.17029	0.4
249.16356	0.4
251.17868	2.7
253.19397	1.6
255.17438	3.3
257.18961	0.7
261.18463	1.4
265.19470	0.7
267.20984	0.6
269.18909	0.6
269.22607	0.5
271.20291	0.3
273.18402	9.1
275.20078	1.4
277.19379	0.6
279.20941	0.7
283.24142	0.4
287.20016	4.4
289.21582	1.5
291.20987	0.4
293.22681	0.5
297.22055	0.4
299.27390	0.5
301.21582	1.3
311.74588	0.4
315.23132	2.4
321.25674	0.6
327.23053	0.4
329.24936	0.4
333.25546	0.3
337.24850	0.4
339.26862	0.4
355.26184	0.6
381.97324	0.4
403.33456	3.4
407.32947	0.4
408.33505	1.2
421.34680	4.7
424.32886	0.4
436.72922	0.3
439.35623	100.0
440.36151	1.7
448.50095	0.4
453.33517	0.8
454.34103	1.8
527.86853	0.3
602.45593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97492	0.7
53.00298	0.7
53.03934	3.3
55.01859	5.3
55.05502	22.4
57.03173	1.4
57.03427	21.1
57.07056	2.1
59.04987	10.2
61.02913	8.7
67.05490	99.0
69.03413	9.2
69.07063	9.7
71.04985	6.4
73.02892	4.7
79.05472	20.3
81.03394	54.1
81.07031	36.8
83.04958	14.6
83.08599	25.0
85.02885	38.6
85.06516	5.8
86.54023	0.8
89.88017	0.8
91.03927	1.9
91.05461	26.8
92.08896	4.8
93.07018	23.5
95.04944	21.7
95.08578	16.6
97.02892	8.0
97.06498	2.0
97.10130	3.9
97.99479	0.8
99.04443	1.9
99.08083	1.5
105.03367	27.1
105.07018	21.2
106.03754	1.0
107.04929	4.1
107.08580	15.8
109.02861	4.9
109.06492	3.9
109.10136	87.7
110.10474	0.9
111.04428	2.0
111.08053	9.4
111.79777	0.8
113.05974	1.8
115.05432	1.3
117.06969	1.2
119.04950	1.1
119.08556	24.5
121.06437	1.4
121.10092	11.3
123.04416	1.8
123.07986	1.1
123.11694	4.4
125.09633	1.1
126.13627	0.8
127.03877	3.5
129.06987	8.4
131.08542	9.8
133.06474	3.5
133.10098	12.8
135.11670	4.3
137.09579	4.7
142.07852	1.5
143.08473	1.3
145.04982	1.7
145.10112	4.3
147.04359	3.5
147.08061	1.1
147.11650	15.9
149.09592	3.9
149.13235	1.6
155.10620	2.1
157.10109	9.2
159.11670	1.2
161.09639	1.2
161.13185	1.0
163.11142	1.1
163.99632	0.8
165.09065	1.6
165.12700	1.8
173.11684	20.2
173.13066	1.3
175.11137	11.1
175.14766	1.0
179.88132	0.9
191.16182	0.8
193.12206	28.7
211.13216	29.7
211.15021	1.6
229.14291	46.3
249.07549	3.5
267.08704	5.0
267.15887	11.6
277.21463	1.9
285.16858	21.0
304.09167	1.0
315.12509	0.9
350.80029	0.9
380.38870	0.8
421.25766	16.4
439.26807	100.0
440.26987	1.9
614.44617	0.9
625.33984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58399	1.2
54.81616	1.3
55.05499	10.9
55.05716	1.2
55.30636	1.2
57.07049	3.3
61.45055	1.3
67.05483	15.5
69.07053	12.3
78.99249	1.4
79.05473	14.9
81.03368	1.5
81.07034	33.4
83.04948	1.9
83.08598	7.4
83.61594	1.2
91.05460	31.1
92.09209	7.1
93.07016	34.5
95.04945	16.9
95.08584	60.6
97.06492	6.3
98.11105	1.4
100.50385	1.6
105.04493	1.4
105.07008	36.4
105.07667	2.8
107.04939	83.5
107.08574	48.6
109.06470	9.0
109.10148	24.4
110.52303	1.2
111.08028	6.8
113.05966	2.0
116.41092	1.5
117.06985	5.5
119.04925	34.7
119.08559	72.8
121.06487	11.0
121.10106	39.6
123.03529	2.2
123.04402	52.4
123.08029	5.0
123.11675	11.3
125.09582	7.5
129.06956	2.6
131.08546	24.9
133.10106	45.9
135.08003	3.2
135.11659	17.2
137.09630	3.1
137.13252	2.2
139.07481	1.6
143.08531	8.0
145.10100	41.3
147.04384	100.0
147.08043	1.6
147.11674	21.7
149.09589	11.2
149.13272	10.6
151.11192	2.3
155.08449	2.0
157.10101	12.5
159.11652	32.6
161.09612	5.4
161.13229	20.8
163.11172	3.0
163.14766	9.0
165.05415	8.0
165.09061	2.7
165.12653	1.9
169.10017	2.7
171.11650	11.0
173.13211	17.6
175.11147	3.1
175.14807	16.6
177.09088	5.6
177.12531	2.4
177.16342	6.3
179.10390	1.3
183.11659	3.0
185.13194	7.8
187.14780	41.1
189.16362	22.4
191.14209	2.3
191.17879	8.0
197.13243	2.6
199.14769	7.4
201.16348	23.2
203.17880	10.1
209.13350	1.7
213.16339	8.3
215.14267	2.0
215.17906	16.4
217.15901	2.8
219.17403	2.2
220.94395	1.7
221.15286	1.5
227.17958	2.7
229.19424	3.2
235.16907	2.5
239.18016	2.3
247.17001	9.5
251.17726	1.3
255.20959	2.0
261.18503	2.9
309.25537	1.8
315.61575	1.4
321.59006	1.7
327.23260	1.6
389.31845	1.9
395.29324	2.1
405.31284	6.4
407.33148	12.5
423.32687	13.4
433.31091	2.2
435.32431	2.8
451.31641	2.0
453.33621	3.3
469.32803	2.5
471.34491	5.3
532.44794	1.8
558.05133	1.7
617.38281	34.3
635.37152	14.4
662.20398	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91138	0.3
53.03917	0.5
55.05499	4.8
57.07040	0.4
62.09629	0.4
63.83428	0.4
65.03912	1.1
67.05479	6.2
69.03409	2.0
69.07063	5.7
72.97205	0.4
75.96597	0.4
77.24370	0.4
79.05473	5.3
81.07038	15.6
83.04953	0.6
83.08621	4.2
85.06526	0.6
85.79186	0.4
91.05463	21.1
92.09000	4.5
93.07027	15.3
93.07619	0.5
95.04935	2.0
95.08588	22.2
97.06513	5.7
97.10138	0.9
99.08063	1.1
101.14747	0.4
105.07014	16.5
107.08578	25.6
109.06494	2.5
109.10146	14.6
111.08039	2.5
113.09631	0.5
117.06995	3.0
119.04923	39.1
119.08561	36.5
121.06516	0.9
121.10120	19.4
123.08051	1.9
123.11671	4.6
125.09610	7.1
129.06953	0.9
131.08543	10.3
133.10104	19.4
135.08002	0.7
135.11664	7.8
137.09578	2.2
137.13239	0.7
139.11168	0.5
142.07777	0.7
143.08536	4.9
144.09325	0.6
145.10109	26.9
147.04393	100.0
147.11665	9.9
149.09587	4.6
149.13220	4.8
151.11165	0.6
153.09102	1.0
155.08612	0.6
156.09334	0.6
157.10132	6.4
158.10907	1.7
159.08057	0.8
159.11667	18.3
160.12389	0.4
161.09634	0.6
161.13237	13.1
163.07599	0.8
163.11111	1.9
163.14832	3.5
165.16403	0.5
169.10100	1.1
170.10866	0.5
171.11655	4.6
173.13228	8.6
175.14777	7.7
177.09058	3.1
177.12782	0.8
177.16379	3.8
183.11681	2.1
185.13232	2.0
186.13928	0.8
187.14780	28.1
189.16345	9.9
191.14301	0.9
191.17967	2.6
193.15778	0.5
196.12387	0.5
197.13199	1.9
199.14761	4.4
201.16354	17.5
203.14204	0.6
203.17886	4.9
205.15829	0.7
207.17340	0.8
211.14902	0.9
213.16309	4.9
215.17923	10.1
217.15810	1.1
217.19427	0.5
219.17413	4.3
227.17920	2.9
229.15842	1.0
229.19513	1.0
233.15355	0.9
233.18970	2.5
235.16824	0.9
239.18164	0.7
241.19472	2.3
247.16850	5.2
253.19398	0.7
261.18494	1.8
267.20975	0.8
275.20120	0.7
281.22729	0.9
311.23730	1.6
319.24265	0.7
349.28839	1.1
389.32007	5.0
395.29346	3.3
407.33063	14.1
409.34692	0.8
425.34271	1.9
435.32562	5.9
453.33490	7.0
471.34647	7.5
617.38104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13307	0.3
53.03919	0.4
55.01865	0.4
55.05503	5.9
57.07054	2.0
65.03920	0.9
67.05494	6.4
69.03408	2.0
69.07060	6.2
70.93925	0.4
71.04964	0.4
79.05467	6.1
81.07037	14.4
83.04988	0.6
83.08612	3.8
85.06486	0.4
88.34360	0.4
88.54319	0.4
91.05463	22.0
92.08997	4.1
92.64397	0.5
93.07025	15.9
95.04951	2.6
95.08585	25.9
97.06511	5.6
97.10161	0.9
99.08060	0.9
105.06286	0.4
105.07010	17.0
107.08578	26.8
109.06487	2.9
109.10146	13.8
111.08051	2.5
112.90794	0.4
117.06985	2.5
119.04920	41.0
119.08562	37.6
121.06483	0.6
121.10120	21.2
123.04414	0.6
123.08056	1.7
123.11681	3.9
125.09602	5.0
129.06985	1.8
130.07747	0.5
131.08548	12.8
133.10106	22.2
135.08018	0.8
135.11679	7.5
137.09607	3.3
137.13216	0.5
142.07729	0.5
143.08536	4.8
144.09311	0.9
145.10103	24.5
147.04390	100.0
147.11667	10.2
149.09604	5.0
149.13205	5.1
153.09096	0.8
155.08606	0.6
157.10115	4.1
158.10829	0.9
159.11668	20.1
161.09503	0.7
161.13220	13.7
163.07533	1.0
163.11171	0.7
163.14806	2.4
169.10104	1.8
171.11623	3.9
173.13229	9.8
175.14804	7.5
177.09053	2.7
177.12732	0.6
177.16318	3.9
183.11615	0.9
185.13234	3.2
187.14787	30.5
189.16345	10.4
189.17914	0.6
191.10712	0.5
191.14342	0.7
191.17915	2.8
197.13176	1.7
199.14810	4.5
200.15556	0.5
201.16367	16.6
203.14137	0.5
203.17937	4.7
204.83018	0.4
205.15833	1.7
207.17587	0.5
209.72371	0.4
211.14781	0.9
213.16391	4.8
215.14485	0.5
215.17928	10.8
217.15909	0.9
217.19551	0.7
219.17310	4.4
223.14819	0.5
225.16394	1.0
227.17941	1.7
229.15932	0.6
229.19534	1.5
231.17418	0.5
233.19005	2.3
235.16933	0.9
241.19467	1.7
243.21027	0.5
247.16924	4.6
253.19615	0.6
255.20990	0.5
261.18381	2.3
267.21036	0.5
269.22449	0.6
281.22736	0.5
293.22662	0.7
295.24231	0.6
311.23605	0.8
329.24725	0.5
333.25772	0.6
341.24576	0.5
349.28677	1.0
389.32013	4.6
395.29178	4.3
407.33014	14.1
425.34137	1.0
435.32492	6.4
453.33603	6.5
471.34622	7.4
575.22925	0.5
617.38281	2.2
633.30103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.394
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
51.12590	0.4
54.40407	0.4
55.05510	3.8
55.05718	0.4
57.07079	0.7
65.03915	1.1
67.05481	4.6
68.16604	0.5
69.03413	0.6
69.07056	5.0
79.05449	3.8
81.07040	11.0
83.04967	5.1
83.08585	2.7
91.04880	0.7
91.05456	20.1
92.08938	0.7
93.07023	8.0
95.04942	2.3
95.08002	0.9
95.08582	21.7
97.10130	0.9
105.06353	0.9
105.07006	14.7
107.08571	15.3
109.06466	0.9
109.10141	9.4
117.06999	2.7
119.04916	36.6
119.08562	19.7
121.06520	0.9
121.10112	13.1
123.08063	0.5
123.11700	1.9
125.09592	2.1
129.06975	0.8
131.08545	6.7
133.10115	12.9
135.11667	5.2
137.09618	0.6
137.13248	0.6
143.08546	3.4
144.09344	0.6
145.10110	12.3
147.04385	100.0
147.11659	8.5
149.09592	0.9
149.13205	5.5
151.11256	0.6
153.09099	0.6
157.10085	3.3
158.95834	0.5
159.07913	0.6
159.11665	10.8
160.12300	0.5
161.09607	1.0
161.13225	7.5
163.11104	1.1
163.14743	5.9
165.05470	1.9
171.11655	3.4
173.13199	6.9
175.11174	0.7
175.14793	8.3
177.12810	1.6
177.14856	0.9
177.16315	12.8
181.48674	0.5
183.11597	0.8
185.13228	1.1
187.14777	10.2
189.16330	8.0
191.14247	0.5
191.17847	2.6
199.14754	2.7
201.16335	10.1
203.14304	4.3
203.17897	11.2
205.15848	8.3
211.14827	0.5
213.16374	3.0
215.17857	3.7
217.15868	2.9
219.17374	0.9
221.15366	1.9
229.15793	0.7
229.19370	0.8
231.17471	0.6
235.16832	0.9
241.19557	1.0
247.16917	0.7
249.18378	0.8
261.18542	0.8
283.23840	0.5
379.33707	0.6
389.31842	1.1
407.32965	9.1
425.34149	6.1
435.32437	3.0
453.33566	9.7
471.34576	1.8
547.38495	0.5
635.39227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75101	0.3
53.03919	0.3
55.05503	3.5
57.07047	0.4
58.62980	0.3
65.03912	0.4
65.56352	0.3
67.05479	4.5
69.07056	3.3
76.93896	0.3
79.05474	3.4
81.06596	0.5
81.07038	8.4
83.04970	7.4
83.08607	2.0
91.05465	16.0
91.83138	0.3
92.09002	3.8
93.07018	8.1
95.04940	1.8
95.08580	14.7
97.06493	0.4
97.10153	0.8
105.06357	0.6
105.07014	9.5
107.08578	15.8
109.06470	0.8
109.10139	6.8
109.88441	0.3
111.08061	0.8
117.07005	1.6
118.78887	0.4
119.04926	33.5
119.08558	14.3
121.10128	8.2
122.01641	0.4
123.08061	0.8
123.11674	2.6
125.09604	2.0
131.08536	5.5
133.10112	10.2
135.11642	4.2
143.08563	2.2
144.09317	0.4
145.10098	10.1
147.04395	100.0
147.11674	5.0
148.04834	0.5
149.09622	0.6
149.13210	2.6
155.08490	0.6
157.10088	3.1
159.08034	0.4
159.11670	10.0
161.13188	5.7
163.11125	0.4
163.14803	1.5
165.05464	3.6
169.10124	0.7
171.11693	1.9
173.13202	4.8
175.14809	3.5
177.09108	0.7
177.12639	0.3
177.16376	0.9
185.13107	0.7
187.14813	6.6
189.16370	6.0
191.17961	2.9
197.13121	0.5
199.14813	2.2
201.16359	8.7
203.17955	3.3
205.15863	1.4
211.14957	0.5
213.16319	1.8
215.17902	6.5
217.15810	0.7
217.19405	0.5
219.17451	1.4
221.15129	0.5
227.17986	0.4
229.19450	0.7
233.15462	0.4
233.18987	0.6
235.16924	1.7
243.21141	0.5
247.16928	2.7
253.19585	0.5
261.18457	2.6
285.96011	0.4
311.23447	0.5
325.29056	0.5
349.28705	0.7
357.28003	0.5
389.32095	0.8
395.29520	1.3
407.32974	5.7
425.33963	1.5
435.32306	2.3
443.34546	0.5
450.79559	0.3
453.33624	11.5
608.47638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	2.6
59.53167	0.4
65.03924	0.7
66.07691	0.4
67.05479	2.3
67.13217	0.4
69.03389	0.4
69.07043	2.5
72.45884	0.4
75.26172	0.4
79.05455	2.6
81.07039	7.2
83.04957	7.5
83.08593	0.9
91.05454	19.7
92.08935	0.5
93.07011	6.7
95.04926	1.8
95.08583	12.2
97.06518	0.7
105.06365	0.7
105.07008	10.5
107.08563	11.1
107.09210	0.8
109.06484	0.7
109.10139	6.7
111.04428	0.6
111.08032	0.5
113.57285	0.5
114.03729	0.4
117.06972	0.8
119.04915	42.6
119.08549	10.5
121.10112	7.6
123.04388	0.8
123.08041	1.1
123.11689	1.7
125.09608	1.1
131.08556	3.6
133.10101	8.0
135.11626	4.1
137.09578	0.5
139.03865	3.1
143.08563	0.6
145.02838	1.0
145.10104	6.6
147.04382	100.0
147.10664	0.6
147.11662	5.3
148.04659	0.7
149.09518	0.5
149.13245	2.7
157.10078	2.7
159.11688	7.0
161.13205	5.0
163.03882	2.2
163.14784	1.0
165.05432	0.8
171.11662	0.8
173.13216	3.5
175.14789	3.2
177.05405	0.7
177.16335	1.0
181.04979	0.8
185.13203	0.7
187.14789	4.4
189.16324	5.0
191.17937	2.2
199.14819	1.8
201.16331	6.2
203.14223	0.7
203.17960	2.6
207.17490	0.5
209.59615	0.5
213.16431	1.9
215.17978	4.3
219.17332	0.9
225.16391	0.7
229.15947	0.5
229.19508	0.6
247.16820	1.9
261.18457	2.1
261.88669	0.5
293.22650	0.5
325.28922	0.8
346.09769	0.5
371.29437	0.5
389.32346	0.8
395.29224	0.9
407.32861	3.5
425.33957	1.1
435.32559	1.0
437.34534	0.7
453.33524	10.5
566.33606	0.6
635.36707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3936
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
52.19843	0.5
55.05502	6.5
59.61301	0.6
60.09343	0.5
64.21369	0.6
65.03942	0.7
65.62277	0.6
65.99311	0.7
67.05496	8.0
69.03423	1.4
69.07061	7.9
79.05470	7.3
81.07038	17.5
83.08595	3.0
89.38395	0.7
91.05463	18.2
92.09052	1.5
93.07020	19.1
93.10207	0.6
95.04947	0.8
95.08585	31.3
95.09191	1.2
97.06515	5.3
105.07011	21.0
107.04939	3.1
107.08578	27.0
109.06506	3.7
109.10141	17.7
111.04376	1.0
111.08060	3.0
117.06998	2.8
119.04917	35.9
119.08556	48.5
121.10130	20.4
123.04430	0.8
123.08044	3.0
123.11666	5.3
125.09612	7.7
129.06993	1.4
131.08551	11.9
133.10103	25.0
135.07973	0.9
135.11668	9.9
137.09590	2.4
137.13197	1.0
139.03935	1.1
139.21104	0.6
143.08533	4.2
144.09314	1.0
145.10097	24.4
147.04387	100.0
147.11656	12.8
148.04730	0.7
149.09618	4.1
149.13234	5.9
157.10104	6.7
158.10890	1.5
159.11659	21.1
161.13232	14.7
163.03893	0.8
163.07541	1.0
163.11148	1.2
163.14799	3.6
165.05421	2.9
169.10147	1.0
171.11653	5.3
172.12418	1.4
173.13232	11.8
175.14772	10.1
177.09108	2.8
177.16408	5.1
183.11667	1.3
185.13203	3.1
186.14049	0.8
187.14784	31.9
189.16359	10.8
191.14320	0.8
191.17932	3.5
193.15715	0.7
197.13277	1.6
199.14818	4.1
201.16357	15.3
203.17989	5.9
208.47882	0.7
211.14645	1.0
213.16380	6.3
215.17912	11.5
217.15865	1.0
219.17444	4.3
225.16284	1.4
227.17899	2.5
229.19496	1.4
231.17374	0.8
233.18999	2.8
235.16866	1.1
241.19559	1.5
243.21121	0.9
247.16817	7.0
253.19409	0.9
255.20966	1.0
261.18384	2.6
280.93396	0.7
281.22253	0.9
306.20059	0.7
311.23828	0.8
349.28827	1.0
389.31699	4.0
395.29355	3.9
407.32965	17.6
409.34296	0.8
425.33777	2.6
435.32330	7.0
453.33438	8.3
471.34485	3.8
487.01489	0.8
617.37982	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	635.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07763	0.4
52.58575	0.4
54.82137	0.5
55.05495	3.0
55.91529	0.4
58.59825	0.4
65.03924	1.0
67.05493	4.2
67.41844	0.5
69.03416	0.9
69.07061	3.7
79.05464	3.3
81.07030	9.2
83.04971	7.9
83.08602	2.2
91.05462	15.4
93.07021	8.5
95.04942	3.5
95.08580	15.6
97.06498	0.8
97.10126	0.6
101.06018	0.6
105.07001	11.1
107.04927	5.9
107.08578	16.0
109.06476	1.2
109.10143	8.0
119.04920	35.4
119.08560	16.6
121.06480	0.8
121.10120	10.4
123.04393	4.2
123.08069	2.2
123.11684	3.1
125.09602	2.3
129.07033	0.9
131.08534	6.0
133.10097	11.4
135.11636	5.6
137.09552	0.9
141.09074	0.8
143.08533	2.5
144.09343	0.6
145.10103	11.3
147.04387	100.0
147.11678	7.7
148.04712	0.6
149.13254	2.4
157.10126	2.7
159.11656	8.3
161.13240	5.6
163.11086	0.7
163.14761	2.6
165.05460	3.3
169.10068	0.9
171.11670	3.5
173.13182	5.0
175.14754	4.6
177.16364	2.4
185.13261	1.2
187.14799	7.5
189.16342	7.2
191.17940	1.2
197.13286	0.7
199.14783	2.8
201.16342	7.8
202.02417	0.5
203.17953	3.9
205.15886	0.8
209.13231	0.7
211.14763	0.6
213.16379	3.2
215.17906	5.9
217.15857	0.8
219.17334	0.7
223.14737	0.7
225.16403	0.6
229.19543	1.9
235.17010	0.6
237.16237	0.8
247.16862	2.3
259.88708	0.7
261.18475	1.9
283.23724	0.7
389.31839	1.1
407.32959	6.0
423.32382	0.9
425.33878	1.1
435.32343	1.0
439.35556	4.1
451.95627	0.7
453.33548	11.8
475.66882	0.6
617.38116	1.2
635.36517	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	635.2857
Annotation	Orthosiphol K
Peak:m/z	Relative Intensity
51.72244	2.3
53.77253	2.5
64.33518	2.9
81.07076	3.3
84.48115	2.7
92.09164	15.3
104.56696	3.1
159.26114	2.9
357.64658	3.2
377.66782	2.9
417.20438	4.1
418.21518	4.7
431.18268	5.2
445.20212	4.5
461.23306	4.4
575.26636	26.3
635.28528	100.0
635.38922	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	635.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.2
67.05531	2.2
79.05510	2.2
80.94271	2.1
92.09055	2.3
95.08616	3.6
296.63409	2.2
360.64868	2.3
389.17496	3.2
419.22293	3.9
430.17944	3.7
431.18811	10.8
433.24103	8.8
444.19327	3.1
445.20007	18.7
447.21802	3.5
459.21799	12.5
460.22177	17.2
461.23386	13.3
519.23901	3.3
531.24084	3.1
547.26996	26.8
591.26221	3.1
606.28644	14.5
607.29065	26.1
635.28613	100.0
635.38715	4.2
636.28271	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	634.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52663	0.3
53.00275	0.3
53.03920	0.7
53.81649	0.4
54.74174	0.3
55.01857	1.9
55.77058	0.4
57.03422	0.5
65.03604	0.4
65.03928	10.7
67.05482	2.0
67.81790	0.4
68.70426	0.3
69.03424	0.7
71.04999	0.4
71.36169	0.3
75.04444	2.1
78.04684	0.5
79.05473	2.6
81.03386	0.7
81.07026	0.6
82.04175	2.2
83.04963	0.4
85.02879	2.8
88.27051	0.4
88.33949	0.4
89.06017	0.6
91.05459	5.9
92.08609	0.7
92.09167	2.0
93.03377	10.9
93.03965	0.5
93.07031	3.2
95.01302	2.2
95.04933	4.3
97.02851	0.8
97.06484	1.9
97.50356	0.4
103.05432	3.0
105.03364	1.9
105.07014	1.8
106.04164	8.8
107.04955	6.2
108.02052	1.0
109.06494	0.9
110.03644	11.3
111.04426	14.6
117.03362	0.7
117.06981	0.5
119.04912	2.1
119.08531	0.7
121.02840	8.6
121.06476	13.8
123.04427	0.8
124.05177	0.4
125.05969	19.4
129.06935	0.7
131.04897	1.6
134.03590	1.5
135.04385	2.2
135.08006	0.6
137.05963	3.6
138.03113	1.9
139.07491	0.8
144.05742	0.5
145.02782	0.5
145.06493	1.6
147.04361	3.0
148.05077	2.1
149.02368	4.4
149.05956	19.5
150.06685	0.4
151.03899	1.6
151.07520	3.2
153.05443	26.7
153.09067	4.8
157.06413	0.5
159.08031	1.9
161.05965	3.1
161.09598	2.0
161.36368	0.4
162.06804	0.8
163.03851	2.5
163.07520	1.9
165.05573	0.5
165.06941	1.7
165.09039	0.6
166.06180	0.5
167.07039	7.1
167.08421	1.4
173.05992	0.5
175.07487	1.9
175.98100	0.4
177.05418	9.4
178.07779	0.9
179.07014	0.7
179.08511	0.9
181.04947	2.3
181.06348	1.1
181.08557	7.1
182.07227	1.7
183.07890	0.6
184.05112	0.8
187.07489	0.7
188.08275	0.7
189.09001	1.0
191.07086	1.1
191.08551	0.9
193.06395	1.3
193.08542	0.6
193.10164	0.7
194.07251	0.8
194.45204	0.4
195.06479	0.7
195.08031	4.7
197.05952	1.9
197.09615	2.6
199.07312	0.4
203.08571	0.6
205.06483	0.4
206.07222	0.9
207.07941	1.8
208.08702	0.6
209.06212	1.4
209.08034	35.7
210.06711	4.5
210.08455	0.6
211.07506	2.4
211.11180	0.8
212.08228	2.5
213.09093	1.7
219.08069	0.6
220.08702	0.7
221.05919	2.4
221.09570	3.0
222.06682	2.0
222.10396	0.7
223.07494	5.4
223.11104	1.8
224.08298	2.2
225.05452	0.6
225.09016	3.9
227.06935	3.5
227.10645	1.7
234.06680	2.5
235.07503	2.2
235.11253	0.7
236.08293	1.7
237.05458	0.9
237.09084	4.6
238.06262	4.0
238.09798	5.3
239.07011	5.0
239.10657	2.1
240.07732	11.1
241.08481	2.4
242.09235	0.5
249.05507	1.5
249.08893	2.7
249.11189	1.4
251.06941	4.2
251.10536	0.6
252.07796	4.0
253.08528	23.0
253.12158	9.1
254.09258	4.5
255.06418	3.9
255.10124	7.2
257.08063	3.1
257.11838	0.5
263.07016	0.7
265.08542	3.7
266.05847	0.8
266.09308	5.2
267.06476	1.9
267.10074	4.7
268.07382	4.3
268.10004	0.4
269.07977	3.9
270.08792	3.5
270.12460	0.9
271.13095	0.6
272.10318	0.9
277.08487	0.9
279.06458	0.6
279.09995	0.7
281.08038	6.4
281.11658	8.5
282.08875	2.6
283.06473	0.9
283.09586	13.1
283.12665	1.0
284.10428	4.3
285.11151	4.7
285.14807	3.4
294.08823	1.6
295.09561	5.0
296.10345	1.8
297.07828	0.5
297.11053	2.4
298.08759	0.8
298.11856	6.5
299.12683	8.8
300.09781	0.7
301.10678	0.6
303.15750	1.9
309.11133	9.4
310.11810	4.2
311.12753	0.6
312.09760	0.5
313.10629	15.8
313.14279	6.7
316.13068	0.5
325.10822	0.6
326.11234	0.9
327.12201	32.4
328.13028	3.4
331.15414	5.2
339.12177	0.5
341.13766	4.3
343.15176	0.9
345.16812	0.7
357.13196	0.5
359.14804	100.0
360.15265	1.9
361.16165	1.6
371.14795	5.3
389.15582	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
54.77125	0.1
55.01869	0.1
55.05500	0.6
55.50875	0.1
56.39789	0.1
57.03448	0.1
61.33984	0.1
64.33441	0.1
65.03934	0.6
67.05488	0.5
67.94962	0.1
69.03419	0.9
69.07052	0.6
71.04974	0.2
73.02928	0.1
75.71121	0.1
79.05470	0.6
81.03397	1.8
81.07031	1.5
83.04973	0.3
83.08603	0.5
85.02893	0.7
85.06532	0.2
91.05457	7.8
92.09077	0.1
93.07002	0.8
95.04946	1.2
95.08581	0.6
97.02863	0.7
97.06519	0.2
99.04434	0.2
99.08028	0.1
105.03371	8.1
105.07008	1.1
107.08574	1.0
109.02866	0.5
109.06497	0.5
109.10122	0.8
114.83064	0.1
118.51041	0.1
119.04916	24.4
119.08552	1.1
120.05268	0.1
121.10096	0.7
121.24672	0.1
123.04417	0.3
123.11695	0.7
123.98060	0.1
125.09615	0.2
127.03887	0.5
130.06610	0.1
131.08551	0.3
132.08051	0.5
133.10097	0.8
135.08037	0.1
135.11690	0.1
137.09634	0.2
141.06956	0.1
145.10065	0.4
146.05971	0.2
147.04384	100.0
147.11626	1.2
148.04732	0.7
151.11169	0.5
153.09023	0.2
157.10133	0.1
159.07916	0.2
159.09137	2.1
163.03940	0.2
165.09114	0.1
165.12685	0.5
167.14275	0.4
169.06413	0.1
171.11566	0.1
185.05904	0.1
187.07535	0.2
188.07039	0.5
209.15326	1.7
229.14267	0.2
231.06393	0.8
249.07603	0.8
267.08649	0.6
324.57181	0.1
337.16342	0.2
351.13318	11.0
355.17340	0.1
393.14432	0.1
395.11264	0.1
413.11966	1.0
531.92780	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	633.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81587	0.4
55.01866	0.8
55.05499	6.2
57.30015	0.4
60.14041	0.5
63.94278	0.5
65.03915	2.2
67.05486	6.4
69.03415	1.1
69.07053	5.1
70.65336	0.5
71.04967	0.7
79.05476	6.0
81.07034	18.0
83.04955	0.6
83.08586	3.7
85.06537	0.9
91.05463	21.7
92.09175	2.9
93.07020	11.3
94.22057	0.5
95.04926	2.9
95.08583	15.3
97.06496	5.2
99.08066	1.2
105.06363	1.0
105.07006	16.5
107.08569	20.3
109.06504	5.6
109.10141	11.2
111.08058	2.0
117.06977	3.3
119.04916	37.9
119.07704	1.2
119.08551	26.0
121.06413	1.0
121.10119	11.9
123.08057	1.1
123.11647	3.0
125.09574	4.2
127.07517	3.4
128.06218	0.9
129.06961	4.0
131.08543	12.4
133.10098	12.4
135.08006	0.6
135.11647	6.1
137.09616	0.8
142.07750	2.3
143.08516	8.5
144.09341	0.7
145.08971	0.7
145.10097	17.2
147.04385	100.0
147.11664	6.1
149.09575	3.0
149.13219	2.3
155.08504	2.5
156.09276	0.9
157.10107	11.3
158.10896	0.9
159.11653	14.6
161.09616	0.7
161.13222	8.4
163.11189	1.1
163.14754	1.3
169.10095	3.6
170.10838	2.7
171.11667	7.1
172.12514	0.7
173.13191	7.2
175.14763	7.3
177.16283	2.2
179.08495	0.8
181.10120	1.1
182.10825	0.8
183.11653	5.8
185.13197	17.5
187.14769	10.4
189.16335	3.3
195.11621	2.9
197.13203	3.5
199.10988	0.6
199.14809	10.2
201.16301	6.7
205.15852	0.8
207.11842	0.7
209.13278	1.2
209.15376	0.5
211.14738	2.9
213.12622	1.3
213.16333	8.0
215.14357	0.7
215.17903	2.1
217.15840	0.9
219.17337	2.1
223.14783	1.3
225.16316	1.1
227.17905	1.0
231.17473	1.2
233.15202	1.1
235.14676	0.8
237.16322	0.6
239.17882	0.7
241.19347	0.7
251.17863	0.7
253.19550	0.9
265.19376	0.7
277.19479	0.7
337.25311	0.6
387.30185	1.3
393.27661	2.8
405.31525	9.4
415.30072	1.0
419.80341	0.6
423.32477	2.1
433.30960	8.4
441.34583	0.6
451.31854	5.5
469.32980	14.0
548.61279	0.7
615.37250	2.0
633.32410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3786
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
53.03925	0.7
55.01860	0.5
55.05509	4.9
57.03407	0.6
57.07052	0.5
61.28992	0.5
64.33628	0.4
65.03917	2.0
65.56520	0.5
67.05174	0.7
67.05489	6.7
69.03413	2.4
69.07066	3.9
70.15301	0.5
71.04972	0.6
74.55440	0.5
79.05475	5.8
81.07040	15.8
83.04948	2.3
83.08601	3.0
85.06483	0.7
91.05463	21.2
92.08649	0.5
92.09184	0.8
93.07025	12.1
95.04928	0.8
95.08586	14.7
97.06519	6.5
97.10170	0.9
99.08080	0.6
105.07011	15.9
105.07661	0.9
107.04962	0.6
107.08583	16.5
109.06503	4.6
109.10136	11.3
111.08057	2.4
115.05466	0.7
117.07008	2.8
119.04920	36.9
119.08555	24.2
121.06420	0.5
121.10117	13.3
123.08067	2.0
123.11649	3.5
125.09605	4.8
127.07535	2.1
128.06090	0.6
129.06972	2.9
131.08540	11.7
133.10100	14.0
135.08006	0.7
135.11678	6.3
137.09561	1.0
142.07761	2.1
143.08519	7.5
144.09322	0.7
145.10110	15.3
147.04390	100.0
147.11650	7.1
148.04761	0.6
148.21176	0.5
149.09583	3.5
149.13254	2.7
151.07513	0.7
151.11200	1.1
155.08549	2.1
156.09328	3.1
157.10091	9.4
158.10876	1.1
159.11667	12.4
159.69469	0.5
161.09552	1.1
161.13213	7.5
163.07549	0.6
163.11163	0.7
163.14772	1.1
165.05461	0.8
169.10065	4.0
170.10880	2.5
171.11674	7.1
173.13202	8.4
175.14780	5.9
177.16301	1.2
180.09320	0.8
181.10101	0.8
183.11670	3.9
185.11612	0.7
185.13240	18.0
187.14778	12.3
189.16351	3.1
193.10110	0.9
195.11627	2.7
197.13225	4.5
199.14783	9.2
201.16385	7.2
203.14401	0.7
203.17801	0.7
209.13211	2.4
211.14775	2.9
213.12817	0.8
213.16368	6.2
215.17953	0.6
217.15897	1.1
219.17363	2.3
221.15331	0.9
222.13951	0.5
223.14871	0.7
225.16286	2.1
227.14427	0.9
227.17928	1.0
231.17207	1.0
233.15437	0.9
233.18889	0.6
237.16295	0.9
239.17909	1.0
241.19420	1.0
245.15314	1.1
251.17920	0.9
259.17001	0.7
267.21149	0.7
277.19473	1.0
311.23642	0.6
353.24628	0.6
387.29968	1.8
393.27600	2.6
405.31458	10.6
407.33127	0.6
415.29861	0.6
423.32651	1.9
433.30972	6.8
446.62103	0.6
451.31992	7.5
469.33063	15.1
615.36884	2.4
633.35089	0.8
633.38452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06946	8.6
55.05499	19.3
57.07063	11.1
59.04984	13.5
61.03712	9.9
65.28065	12.0
67.05495	40.8
68.34832	9.7
74.17081	9.1
79.05473	17.9
79.68672	10.3
80.65906	9.5
81.07043	50.9
83.08592	54.7
85.06516	11.5
91.05470	51.9
92.08892	12.1
93.07014	77.5
95.04932	15.7
95.08615	42.2
103.05438	10.8
105.07001	100.0
106.46427	10.1
107.08588	62.1
107.33632	10.4
109.06477	22.9
117.06985	17.6
119.08585	85.0
121.10147	45.0
123.08006	22.1
125.09547	11.5
129.06976	20.8
131.08527	62.2
133.10077	15.3
135.08060	17.6
137.09590	13.2
142.07759	15.0
143.08540	53.6
143.10683	26.0
145.10098	89.4
147.08044	24.5
147.11742	12.5
151.07544	13.9
156.09311	13.2
157.10112	61.6
159.11665	20.1
160.08810	48.4
161.09566	15.1
163.11136	16.0
165.09088	20.7
169.10100	25.6
171.08092	12.3
171.11639	43.5
173.09589	12.7
175.11140	17.9
181.10060	17.6
183.11743	13.7
185.11748	15.2
185.13234	12.2
189.12709	17.6
195.11586	14.5
203.14371	19.5
207.11789	13.3
221.15408	46.8
234.16049	12.9
261.16876	11.8
263.95676	11.6
287.20087	60.9
352.23859	55.8
538.22675	47.6
552.37946	63.5
632.25104	24.4
632.43451	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	632.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18622	0.6
53.03943	3.9
55.01861	3.9
55.05502	3.2
57.03432	2.2
59.91937	0.5
65.03918	4.9
67.05189	0.6
67.05489	5.1
68.99801	0.6
69.03401	4.7
69.07053	4.6
71.04975	1.5
75.04456	1.1
78.04696	1.5
79.05463	10.2
81.03386	9.6
81.07037	6.8
82.04174	1.2
82.17857	0.7
83.04965	1.1
83.08613	0.9
85.02888	10.5
85.06516	0.8
87.04399	0.7
91.05456	15.1
92.09165	1.4
93.03358	4.7
93.07013	8.5
95.04941	10.6
95.08584	4.8
97.02872	3.3
97.06524	5.0
99.04421	0.8
103.05442	24.4
103.06091	1.3
105.03365	24.0
105.04485	0.8
105.07001	13.9
106.04159	8.4
106.07345	0.7
107.04913	9.0
107.08577	4.8
108.02108	0.8
109.02858	4.4
109.06514	5.0
109.10135	3.5
110.03650	1.5
110.18220	0.6
111.04436	3.0
111.08050	1.1
115.05428	7.1
117.07010	7.1
118.04110	6.3
119.04906	11.9
119.08557	5.1
121.06478	14.2
121.10123	4.8
122.03647	2.6
123.04404	8.3
123.08064	0.9
123.11699	3.0
124.05182	2.6
125.05949	7.3
125.09619	0.8
127.03886	2.7
128.06282	0.7
129.06992	1.5
130.04131	1.4
131.04897	34.1
131.05872	1.2
131.08527	3.2
132.05728	1.4
133.02826	2.9
133.06465	14.2
133.07388	0.9
133.10110	1.4
134.03690	1.9
135.04430	1.0
135.08047	3.6
135.11678	1.0
136.52762	0.6
137.02304	0.9
137.05945	32.5
138.03125	0.8
139.03902	1.0
139.07524	2.2
141.05481	0.6
142.02649	0.7
143.04915	2.8
143.08534	1.0
144.05701	3.1
145.06467	10.5
145.10110	1.3
146.03619	0.9
146.07269	0.8
147.04378	15.4
147.08047	3.7
147.11694	1.1
148.05161	15.3
149.05952	17.7
149.09575	1.4
151.03867	23.6
151.04950	1.7
151.07535	3.0
151.11124	1.0
152.04672	1.2
153.05420	4.3
153.09093	4.1
155.07076	1.0
157.06447	1.2
157.10117	1.1
159.04362	1.2
159.08012	2.7
159.11632	1.2
160.05203	2.3
161.05956	15.9
161.09558	0.9
162.06717	0.9
162.65598	0.6
163.03903	1.0
163.07495	31.3
163.11185	0.9
165.05453	2.2
165.09097	1.2
167.06995	76.0
171.04369	1.5
171.06477	5.2
173.05908	7.0
175.07510	6.1
175.11212	1.0
176.04712	3.6
177.05417	11.7
177.09081	1.0
179.07047	5.3
179.08437	0.8
181.04915	80.4
181.08369	6.8
184.05258	0.7
187.07529	4.1
189.05447	1.4
190.06270	0.9
191.06985	100.0
192.07585	1.5
193.05013	1.2
193.08594	3.7
194.07268	0.7
195.06512	3.1
201.05367	1.0
203.07030	3.8
205.06631	1.3
205.08620	5.4
207.06526	2.6
207.08315	0.8
207.10194	3.1
209.08032	27.9
209.09866	1.1
217.08554	2.8
218.07187	1.0
219.08157	1.1
219.10210	2.9
220.07327	0.7
229.08516	0.7
231.06332	0.9
233.07948	4.9
235.07524	2.5
235.09656	5.0
237.08998	1.2
245.08121	1.3
249.07588	2.8
263.09088	17.6
265.08426	1.1
267.08368	0.7
267.10428	2.6
269.08179	0.7
269.11655	0.7
279.09970	0.7
295.09622	1.2
297.11139	2.4
299.12698	0.7
307.09500	1.3
325.10648	4.1
329.13760	1.3
337.10742	0.8
339.12381	0.9
355.11658	2.6
357.13190	6.5
359.14795	1.3
367.11368	0.9
369.13345	1.2
385.12753	11.3
387.14059	5.3
397.30936	1.0
399.14386	3.4
416.32285	1.0
417.15350	12.9
434.33536	0.8
547.19189	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.01860	0.5
55.05493	1.0
55.05739	0.2
57.03424	0.3
58.43389	0.2
61.02915	0.2
65.03915	0.4
66.78745	0.2
67.01844	0.3
67.05497	1.7
69.03409	2.4
69.07064	1.8
71.04961	0.5
73.02921	0.2
76.56432	0.2
79.05476	1.8
81.03395	6.7
81.07037	3.1
83.04961	1.5
83.08581	0.3
84.08120	0.2
85.02882	2.3
85.06518	0.5
87.04410	0.2
89.81766	0.2
91.05459	6.3
92.08944	1.3
93.07018	3.3
94.07355	0.3
95.04948	1.9
95.08576	2.3
97.02851	1.3
97.06522	1.5
99.04433	4.5
99.08050	0.3
105.03365	9.2
105.06998	2.3
106.03716	0.4
107.04911	0.8
107.08562	2.9
108.08918	0.2
109.02148	0.3
109.02859	7.9
109.06474	1.0
109.10143	2.0
111.04424	1.1
111.08059	0.4
113.06025	0.3
119.04918	18.2
119.07810	0.2
119.08499	1.6
121.06471	0.9
121.10117	1.9
122.10429	0.2
123.04398	0.9
123.08045	0.5
123.11666	1.0
125.09596	0.9
127.03876	5.5
131.04836	0.2
131.08528	1.2
133.02739	0.2
133.06528	0.3
133.10141	1.5
135.04463	0.3
135.08014	0.8
135.11658	0.9
137.05919	1.0
137.09593	0.4
139.03935	0.3
143.08548	0.4
145.06451	0.2
145.10115	1.3
147.04384	100.0
147.11661	1.1
148.04697	0.5
149.05907	0.4
149.09575	1.1
151.07494	0.2
151.11166	1.2
153.05475	0.3
153.09067	0.3
157.10046	0.3
159.08002	0.3
159.11632	0.4
161.05873	0.3
161.09558	0.4
161.13162	0.3
163.03857	0.9
163.11133	1.5
167.07030	1.9
167.08321	0.3
167.10583	0.4
169.04922	20.0
169.08571	1.0
169.12199	0.4
171.07985	0.3
171.11472	0.3
173.09572	0.3
173.13263	0.2
177.05440	0.9
181.04945	0.3
187.07500	0.3
187.13336	0.2
189.09117	0.4
191.10669	0.4
197.92960	0.2
209.15239	0.3
211.05977	1.1
227.12767	0.5
249.07555	1.1
249.10965	0.3
255.06476	1.0
267.08633	1.7
273.07541	3.6
315.08560	10.6
353.15985	0.3
435.12662	4.5
475.83987	0.2
524.03571	0.3
632.27130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.1
53.03929	0.6
55.01849	0.4
61.02903	0.1
61.96554	0.1
65.03915	1.0
67.01845	0.6
67.05486	0.2
67.59335	0.1
69.03415	1.3
69.07047	0.4
69.47393	0.1
71.04958	0.4
73.02895	0.2
79.05457	0.6
80.08954	0.1
81.03397	2.6
81.07022	0.5
82.04179	0.2
83.04957	0.2
83.99344	0.1
85.02886	1.8
85.06499	0.1
90.84063	0.1
91.02225	0.1
91.05461	5.1
92.08821	0.5
92.09358	0.2
93.03374	0.1
93.07021	0.6
95.04940	0.7
95.08582	0.4
97.02869	6.8
97.06523	0.4
99.04424	1.0
103.05450	0.2
105.03369	1.1
105.07008	0.6
107.04951	0.7
107.08568	0.5
109.02866	2.7
109.06511	0.1
109.10124	0.4
110.03625	0.4
111.04453	0.2
113.97292	0.1
115.05450	0.2
117.07019	0.4
119.04917	18.2
119.08524	0.2
120.05254	0.1
121.06466	0.2
121.10107	0.2
123.04389	0.2
123.11683	0.1
125.05992	0.2
125.09640	0.2
127.02955	0.2
127.03889	4.8
129.06979	0.1
131.04930	0.2
133.06433	0.2
135.04410	0.1
135.08072	0.1
137.05911	0.6
139.03925	0.8
139.04839	0.1
142.02628	0.2
144.05734	0.1
145.06470	0.4
147.04385	100.0
148.04749	0.9
149.05978	0.2
149.09474	0.1
151.07521	0.2
153.05437	0.4
155.07030	0.2
157.06416	0.2
159.08052	0.2
161.05887	0.4
165.05431	0.2
167.07004	1.3
168.07368	0.2
169.04897	1.4
171.06552	0.7
172.05247	0.2
173.05969	0.3
174.06569	0.1
175.07489	0.1
179.06848	0.2
181.04926	9.6
182.05269	2.5
187.06012	0.4
191.06995	0.2
200.04634	0.2
201.05409	0.1
207.06546	0.2
209.08073	0.2
218.05710	0.1
219.06369	0.1
221.08006	0.2
227.09003	0.4
233.08009	0.9
235.09634	0.1
237.05429	0.1
246.12167	0.1
249.07657	0.1
255.06458	0.2
264.07648	0.1
267.08511	0.1
273.07501	2.8
279.08774	0.1
315.08707	0.4
351.10544	0.6
389.00479	0.1
393.11703	3.4
401.12015	0.5
402.12628	0.2
415.13696	1.7
416.14182	1.4
431.20636	0.1
433.14600	0.2
456.93015	0.1
522.52972	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	631.3297
Annotation	DIHYDROGAMBOGIC ACID
Peak:m/z	Relative Intensity
55.05492	1.2
58.94519	0.8
65.39805	0.8
67.05492	1.2
79.05483	1.1
81.07031	4.1
83.08609	0.8
91.05466	1.1
93.07028	1.7
95.08630	1.8
97.38733	1.0
105.03403	1.6
105.07030	1.9
109.06564	1.0
109.10126	1.5
119.08591	1.4
157.10007	1.2
173.13248	1.0
176.76923	0.9
233.60820	0.8
245.06302	0.9
427.26801	1.2
515.28644	1.4
545.72217	1.0
631.32831	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	630.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
55.01853	1.7
55.05500	4.9
55.40959	0.3
57.03427	3.9
61.02909	1.6
67.05499	11.1
69.03413	20.1
69.07048	1.6
71.04978	2.7
73.02910	0.5
78.16535	0.4
79.05468	7.1
81.03397	21.4
81.07039	8.2
83.04520	0.7
83.04966	10.5
83.08547	0.4
85.02887	13.1
85.06536	0.6
91.05456	2.9
93.03373	0.7
93.07034	4.8
95.04954	9.7
95.08585	6.3
97.02872	7.4
97.06501	1.6
99.04443	4.1
99.08084	0.6
102.83314	0.5
103.05466	0.5
105.03374	100.0
105.07009	2.7
106.03686	0.6
107.08569	3.7
109.02856	9.6
109.06490	2.7
109.10141	31.9
111.04424	14.9
111.05160	0.9
111.08052	0.4
117.07018	0.8
119.04931	0.8
119.08587	3.7
121.06441	0.5
121.10124	2.0
123.04387	9.7
123.08091	0.7
125.05971	2.4
125.09619	0.7
127.03879	5.0
129.05453	10.3
129.75980	0.4
131.08481	0.4
133.10106	0.9
137.05978	2.4
137.09595	59.5
139.07451	0.4
143.08521	0.6
145.04939	0.6
145.10071	0.5
147.04436	2.3
147.06433	0.5
147.08005	0.7
147.11710	0.6
149.09621	0.9
151.11375	0.6
155.10625	4.9
159.11676	0.5
163.03886	0.5
165.09076	27.4
167.14279	0.5
177.05380	0.5
183.10164	2.8
201.11205	3.9
231.06570	0.7
249.07530	10.0
267.08588	10.7
275.20044	0.4
311.14838	7.0
311.22122	0.6
329.15887	56.0
330.15927	0.4
330.25146	0.5
347.17004	2.0
407.80484	0.5
490.19632	0.5
595.22864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.4
60.04245	0.8
67.05488	1.7
69.07075	1.0
73.87958	1.0
74.94824	0.9
79.05482	1.6
81.03419	1.2
81.07029	1.0
91.05472	1.4
93.07066	1.6
95.08621	2.3
105.07036	1.2
107.08568	1.3
107.17278	0.9
109.10175	1.2
111.49167	0.9
119.08555	1.6
131.33310	1.1
133.10117	1.2
160.92296	1.0
220.87654	1.1
252.37532	1.0
273.59607	1.1
287.07404	3.9
367.79428	1.0
490.07770	1.1
496.09918	1.2
513.26746	4.1
514.77289	1.0
587.30157	1.1
588.30768	2.0
629.31256	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	629.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.4
60.04245	0.8
67.05488	1.7
69.07075	1.0
73.87958	1.0
74.94824	0.9
79.05482	1.6
81.03419	1.2
81.07029	1.0
91.05472	1.4
93.07066	1.6
95.08621	2.3
105.07036	1.2
107.08568	1.3
107.17278	0.9
109.10175	1.2
111.49167	0.9
119.08555	1.6
131.33310	1.1
133.10117	1.2
160.92296	1.0
220.87654	1.1
252.37532	1.0
273.59607	1.1
287.07404	3.9
367.79428	1.0
490.07770	1.1
496.09918	1.2
513.26746	4.1
514.77289	1.0
587.30157	1.1
588.30768	2.0
629.31256	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	629.2242
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
57.16506	0.4
57.68877	0.4
64.33717	0.5
67.05511	0.6
69.07063	0.6
74.53004	0.5
81.07055	1.2
83.04926	0.5
91.05458	0.9
92.09259	1.1
105.07053	0.5
129.16750	0.5
143.74150	0.5
145.10004	0.8
179.01266	0.5
243.11214	0.6
294.08749	0.5
329.00363	0.5
397.12924	3.0
398.13654	2.3
399.14462	0.9
409.12820	0.8
410.13596	4.2
411.14450	8.8
412.15311	5.1
413.15808	4.1
423.14771	0.8
424.15323	2.8
425.16183	18.5
426.16824	10.7
427.17551	3.0
428.18433	3.0
438.12900	2.7
439.13470	22.8
440.13443	0.5
440.18753	7.6
441.19220	40.4
442.19669	0.8
452.14639	2.7
453.15375	20.9
454.15857	5.5
455.21429	0.9
456.17526	0.9
457.19070	0.5
465.15057	0.7
467.17181	29.5
468.17776	18.8
469.18677	12.0
470.18982	0.8
471.16324	1.2
481.14627	14.7
482.15607	3.0
484.20828	2.9
485.18048	0.8
495.16052	2.1
496.17136	12.4
497.17859	3.0
498.18542	0.7
500.20758	4.2
512.21167	3.7
513.21686	5.7
523.19434	0.8
528.19434	1.0
541.20746	31.8
542.21179	2.1
568.26685	0.8
569.20203	100.0
570.20221	3.2
573.23462	1.0
597.19696	23.2
600.21442	0.7
601.22736	7.2
615.20551	1.1
628.29645	0.7
629.22137	63.3
630.22351	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.2
55.05500	32.4
57.07065	4.6
57.26901	2.0
66.56755	2.3
67.05143	4.0
67.05487	94.7
67.81059	1.9
67.84023	2.0
69.07042	28.3
70.83730	2.1
71.04969	3.8
79.05470	36.5
81.07029	100.0
83.08595	18.5
85.06530	3.7
89.06001	2.1
91.05427	20.6
92.09155	4.1
93.07017	52.7
95.04953	3.9
95.08582	99.8
97.06490	8.9
97.10153	10.2
102.16789	2.1
105.07006	23.8
105.94442	2.3
107.08554	25.0
107.09176	2.3
109.10146	46.4
111.08080	4.3
111.11717	2.3
111.54704	2.2
117.07021	4.6
119.08528	23.7
121.10106	29.1
123.07988	3.1
123.11681	15.2
131.08531	13.9
133.10120	11.9
135.11682	21.9
135.44031	2.4
137.09633	2.9
137.13223	4.1
145.10097	10.4
147.11681	11.8
149.13239	11.1
151.11182	2.9
159.11644	3.7
161.13229	11.7
163.14815	3.4
165.12784	2.5
173.13194	4.8
175.14790	3.5
179.14185	2.0
187.14839	2.8
222.10495	2.2
243.21162	4.6
250.99127	2.5
261.22058	21.0
279.23138	49.8
295.22824	2.6
297.24167	15.9
539.45050	4.0
557.45245	14.2
575.46338	10.6
587.57153	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	628.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34303	0.5
55.05508	1.1
56.96556	12.3
59.62324	0.5
62.65367	0.4
63.84826	0.5
65.44830	0.5
66.59589	0.5
67.05478	1.4
69.07053	2.6
71.95238	0.6
72.25376	0.6
76.56968	0.7
76.71177	0.5
77.69020	0.6
79.05471	2.2
81.03416	1.0
81.07041	5.0
83.04929	0.8
83.08604	0.9
87.80335	0.5
91.04432	0.5
91.05441	3.1
92.08611	1.0
92.09156	3.1
93.07004	4.0
95.04945	1.2
95.08583	5.6
97.06522	0.6
98.97562	28.8
105.03370	2.5
105.07013	3.3
107.08566	4.9
109.10134	3.5
111.08065	1.3
115.39715	0.5
116.98592	37.2
119.08562	3.5
121.06607	0.7
121.10120	3.6
123.08043	3.9
123.11699	1.2
125.09644	0.6
131.08548	1.4
133.10101	3.1
134.99641	26.7
135.11681	1.0
137.09601	0.7
145.10132	1.0
147.11685	1.2
149.13193	0.6
153.00681	7.5
158.01228	0.6
161.01190	0.5
161.13167	0.8
166.68059	0.7
173.13275	0.8
177.16331	0.7
187.14825	0.8
189.16342	1.2
201.16507	0.8
203.57463	0.6
233.83826	0.6
469.29523	0.6
476.54114	0.7
479.27960	2.4
481.25940	0.7
497.29248	3.4
499.27124	3.2
515.30396	7.1
517.28394	4.5
527.30963	0.8
529.27783	0.7
533.31372	27.7
545.31378	5.6
563.32831	1.2
575.32324	3.2
581.33472	1.4
587.32397	27.1
605.33514	100.0
606.33887	1.2
623.34485	4.6
628.34943	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	628.352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19920	0.8
55.05507	1.6
56.96323	1.3
56.96561	23.7
63.86620	0.8
67.05486	1.8
69.07035	1.1
78.17388	1.0
79.05457	1.1
81.07029	4.4
91.05460	1.7
92.09062	1.1
93.07058	3.5
95.04933	1.4
95.08580	1.9
98.97557	37.6
104.91277	1.0
105.07011	4.2
107.04932	1.8
107.08568	2.1
109.10121	2.0
116.98599	54.1
119.08540	1.8
119.91664	1.0
121.10107	1.2
133.10129	1.2
134.99648	38.0
153.00696	9.5
155.12779	1.1
160.38641	1.1
229.07349	1.3
247.08382	1.0
249.11345	1.1
263.09839	1.2
279.12402	1.1
309.13718	2.3
310.60724	1.0
317.10455	1.3
323.15250	4.1
327.14688	10.7
329.16272	6.1
341.16110	2.3
343.17935	1.8
377.19693	1.2
379.21460	4.8
391.21588	1.5
415.19977	1.1
453.26871	1.8
479.28134	9.0
491.28268	4.2
497.29269	10.7
509.29138	7.0
515.30219	8.5
527.30231	19.4
531.33594	2.2
543.33771	1.3
545.31458	53.9
561.34760	6.8
563.32208	4.8
587.32294	24.2
605.33563	100.0
606.33905	1.3
621.61340	1.1
623.34137	4.1
627.38245	3.9
628.35284	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	628.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73323	0.4
54.38235	0.4
55.05496	1.1
56.96555	14.2
57.03440	0.5
59.67248	0.4
60.51912	0.4
67.05495	2.9
69.07056	0.8
70.10411	0.4
78.10567	0.4
79.05463	3.5
79.32375	0.4
81.03407	0.8
81.07046	4.7
83.04990	1.1
91.05434	4.8
92.08946	2.4
93.07021	4.2
95.04944	0.6
95.08583	5.9
98.97552	13.9
103.05511	0.5
105.07001	5.1
107.04939	0.6
107.08571	5.0
109.06549	0.7
109.10146	2.4
115.61018	0.5
116.98601	18.4
119.08549	4.8
121.10083	4.1
123.08060	0.9
123.11698	0.7
125.09646	0.7
131.08614	1.2
133.10104	5.0
134.85536	0.5
134.99634	13.4
135.11719	1.1
145.10115	2.2
147.11703	2.5
151.11076	0.6
153.00778	1.2
157.10149	0.6
159.11707	1.0
173.13242	1.1
175.11328	0.5
175.14861	2.2
187.14766	0.8
189.16400	2.2
244.19530	0.5
317.74091	0.5
333.24191	0.6
345.13907	0.7
351.16086	0.5
475.25443	0.8
491.28799	0.8
493.26135	2.8
509.29803	0.8
511.27155	6.3
515.29785	1.7
527.30426	3.4
529.28406	2.4
533.31464	3.7
545.31458	19.4
557.34253	0.5
563.32605	5.1
568.32922	1.0
569.31628	2.4
587.32367	29.0
605.33527	100.0
606.33984	0.8
610.34155	0.9
623.34644	4.0
628.35388	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	628.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34303	0.5
55.05508	1.1
56.96556	12.3
59.62324	0.5
62.65367	0.4
63.84826	0.5
65.44830	0.5
66.59589	0.5
67.05478	1.4
69.07053	2.6
71.95238	0.6
72.25376	0.6
76.56968	0.7
76.71177	0.5
77.69020	0.6
79.05471	2.2
81.03416	1.0
81.07041	5.0
83.04929	0.8
83.08604	0.9
87.80335	0.5
91.04432	0.5
91.05441	3.1
92.08611	1.0
92.09156	3.1
93.07004	4.0
95.04945	1.2
95.08583	5.6
97.06522	0.6
98.97562	28.8
105.03370	2.5
105.07013	3.3
107.08566	4.9
109.10134	3.5
111.08065	1.3
115.39715	0.5
116.98592	37.2
119.08562	3.5
121.06607	0.7
121.10120	3.6
123.08043	3.9
123.11699	1.2
125.09644	0.6
131.08548	1.4
133.10101	3.1
134.99641	26.7
135.11681	1.0
137.09601	0.7
145.10132	1.0
147.11685	1.2
149.13193	0.6
153.00681	7.5
158.01228	0.6
161.01190	0.5
161.13167	0.8
166.68059	0.7
173.13275	0.8
177.16331	0.7
187.14825	0.8
189.16342	1.2
201.16507	0.8
203.57463	0.6
233.83826	0.6
469.29523	0.6
476.54114	0.7
479.27960	2.4
481.25940	0.7
497.29248	3.4
499.27124	3.2
515.30396	7.1
517.28394	4.5
527.30963	0.8
529.27783	0.7
533.31372	27.7
545.31378	5.6
563.32831	1.2
575.32324	3.2
581.33472	1.4
587.32397	27.1
605.33514	100.0
606.33887	1.2
623.34485	4.6
628.34943	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	628.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05496	1.4
56.96560	26.8
57.03425	0.6
63.30912	0.6
67.05485	4.3
69.07043	1.3
71.95242	0.7
79.05470	2.7
81.03384	1.6
81.07020	4.0
81.61135	0.6
82.11774	0.6
83.04974	1.2
84.96014	1.4
86.77200	0.7
91.05462	1.4
92.08745	1.5
92.09277	1.3
93.07039	5.4
95.04921	1.4
95.08579	4.6
97.06523	0.8
98.97565	24.1
105.07005	2.7
107.08575	4.2
109.10152	1.1
111.08046	0.8
116.98601	29.0
119.08548	3.2
121.10112	3.4
123.08056	0.8
133.10120	1.2
134.99629	21.9
135.11630	0.7
145.10075	1.1
147.11626	0.9
149.13268	0.8
153.00671	3.7
161.13350	0.8
162.09647	0.7
164.82231	0.7
173.13210	0.8
189.16434	0.7
227.12755	0.7
277.21515	0.7
291.12762	1.0
291.19516	1.5
295.12067	0.8
309.13672	0.9
311.15219	1.2
327.14807	6.2
329.16269	2.8
341.16254	3.0
343.17874	0.9
348.06192	0.7
357.15689	1.4
363.13446	0.8
379.21634	1.1
393.23264	1.1
410.28058	0.7
420.94672	0.7
427.25046	0.8
432.86038	0.7
461.27475	2.7
465.30518	0.9
479.28458	5.8
483.31348	1.0
491.27921	3.2
491.88455	0.9
497.29050	4.1
501.32361	4.7
509.29385	7.1
515.30389	6.1
527.30280	15.2
543.33319	3.8
545.31433	25.9
557.34564	0.9
561.34442	7.2
563.32080	3.5
587.32330	19.7
605.33514	100.0
609.51923	0.7
623.34290	4.3
628.34814	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	628.351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02285	0.6
55.05488	3.3
56.96556	26.1
57.03414	1.2
57.37516	0.6
67.05471	3.1
68.46586	0.8
69.07044	3.2
79.05449	4.2
81.03396	3.8
81.07023	4.4
83.04965	1.1
84.95991	0.9
91.05443	4.2
92.09203	4.3
93.06996	5.2
95.04939	1.4
95.08582	3.7
98.97552	23.4
102.58958	0.7
105.07008	4.8
107.04958	1.0
107.08559	4.4
108.26417	0.7
109.10104	1.6
116.97818	1.6
116.98595	28.4
119.08540	5.2
121.10062	3.4
130.49034	0.8
131.08577	1.8
133.10158	1.2
134.18913	0.7
134.99619	26.0
138.38277	0.8
145.10118	1.6
147.11630	1.2
153.00696	4.4
159.11624	1.6
163.14778	0.9
200.86862	0.8
205.06061	0.9
239.36014	0.9
267.15845	1.1
291.19370	1.5
309.13724	1.7
311.15234	1.3
323.15469	0.9
327.14865	6.2
329.16223	1.8
341.16360	1.3
379.21481	1.8
461.27493	1.5
479.28323	7.3
491.28262	1.7
491.76962	1.0
497.29047	4.4
501.32819	5.9
509.29431	9.5
515.30231	3.9
527.30212	18.6
543.33173	4.1
545.31409	23.5
548.72852	1.0
557.34741	1.7
561.34399	5.2
563.32294	4.7
587.32208	21.0
605.33502	100.0
606.33295	1.0
619.70709	0.9
623.34137	4.5
628.35254	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	628.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.7
52.76589	0.6
53.03936	5.0
55.01864	4.2
55.05500	4.5
57.03430	2.0
61.02893	1.1
64.34212	0.8
65.03918	0.9
67.05486	7.2
69.03407	10.4
69.07053	4.8
71.04977	1.8
71.45147	0.7
72.04459	0.6
73.02927	1.0
78.03412	6.1
79.05473	6.4
80.04993	1.3
81.03388	17.5
81.07041	12.5
83.04958	1.7
83.08607	1.5
84.08128	0.9
85.02888	12.1
85.06522	1.5
88.91309	0.7
91.05457	22.6
92.09144	0.9
93.07013	8.9
94.04172	1.4
95.04945	11.0
95.08588	7.6
96.04491	2.9
97.02869	8.6
97.06496	5.1
97.10172	3.4
99.04430	1.9
103.05449	6.9
105.03368	27.9
105.07011	10.6
106.02898	30.0
106.04165	4.2
107.04945	9.6
107.08556	5.7
109.02843	9.8
109.06509	8.0
109.10135	5.8
110.06043	0.9
111.04420	1.4
113.05981	1.1
115.05438	3.9
117.06979	3.8
118.04251	0.9
119.04913	18.2
119.08595	5.5
121.02836	1.8
121.06477	10.8
121.10133	4.3
122.03644	4.9
123.04410	4.7
123.08083	1.8
123.11686	1.3
124.03011	1.8
124.03926	56.0
125.05997	1.8
125.09633	1.0
127.03888	7.2
128.06235	1.8
129.06996	18.2
131.04935	6.8
131.08551	5.9
133.06438	6.9
133.10118	4.4
134.03636	1.0
135.04378	3.4
135.07997	6.2
135.11667	1.2
136.05199	3.0
137.05951	100.0
139.11195	0.9
141.06979	1.8
143.04893	1.4
143.08600	1.1
145.02850	5.1
145.06432	6.1
145.10121	1.2
146.03461	0.9
147.04398	4.9
147.08017	1.4
147.11642	1.3
148.05200	1.3
149.05965	17.0
149.09639	1.5
149.13220	1.5
150.06403	1.2
151.03894	2.9
151.07518	65.2
151.11188	1.4
153.05537	1.1
153.12769	1.0
156.45877	0.8
157.06496	12.3
157.10110	3.0
158.07234	1.1
159.08047	4.5
159.11678	1.7
160.05066	1.0
161.05930	15.2
161.09573	6.5
163.03850	6.2
163.07504	19.4
165.06961	3.2
165.09061	14.5
166.07747	0.9
167.07014	12.6
167.08549	7.4
168.07336	0.9
173.05917	1.1
173.09523	1.1
174.06731	11.1
175.07518	9.9
176.08209	1.1
177.05431	7.6
177.06836	1.1
177.09103	4.1
178.05783	1.7
178.07693	3.0
181.04988	6.7
181.06381	1.4
181.08554	1.4
182.05363	0.8
182.07333	1.0
186.06909	1.1
189.09053	31.8
190.07686	0.9
191.06969	5.3
193.06488	3.5
193.08508	1.0
193.10086	5.3
194.07217	0.9
195.08031	16.6
197.05977	0.8
201.09081	1.8
203.08495	1.0
205.06647	0.8
206.07297	1.1
207.08206	1.5
207.10187	4.4
209.06203	1.6
209.08069	9.2
209.09529	1.8
210.06685	2.8
210.08443	2.7
212.08260	3.9
217.12398	0.8
219.10120	11.6
219.59982	0.8
221.05966	6.2
221.09584	8.0
222.06764	0.8
223.07533	7.5
224.08221	1.8
225.09134	7.2
227.07135	1.1
227.10638	23.6
234.06804	1.0
237.09134	3.9
238.06241	1.5
239.10487	0.8
240.07748	1.5
249.09073	3.9
249.73094	0.8
250.07138	6.0
252.07716	1.3
253.08545	11.5
253.12183	13.5
255.10123	19.2
265.08618	1.8
265.12253	0.9
266.09366	0.8
267.08035	0.9
267.10162	4.4
268.08084	24.1
268.10803	1.2
269.08099	4.8
269.17419	3.3
269.20544	1.0
272.10376	1.4
281.11591	3.3
284.10388	1.6
285.11154	13.6
287.05646	0.9
287.12677	22.7
293.11627	1.4
297.11151	3.9
297.14764	1.1
299.12619	1.1
301.14282	1.1
303.04901	1.2
313.14243	12.1
325.14545	1.1
331.15332	62.5
343.15427	7.4
413.21469	1.3
417.15430	1.1
576.14600	1.0
598.22748	49.3
610.22546	6.6
628.23096	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.7
52.76589	0.6
53.03936	5.0
55.01864	4.2
55.05500	4.5
57.03430	2.0
61.02893	1.1
64.34212	0.8
65.03918	0.9
67.05486	7.2
69.03407	10.4
69.07053	4.8
71.04977	1.8
71.45147	0.7
72.04459	0.6
73.02927	1.0
78.03412	6.1
79.05473	6.4
80.04993	1.3
81.03388	17.5
81.07041	12.5
83.04958	1.7
83.08607	1.5
84.08128	0.9
85.02888	12.1
85.06522	1.5
88.91309	0.7
91.05457	22.6
92.09144	0.9
93.07013	8.9
94.04172	1.4
95.04945	11.0
95.08588	7.6
96.04491	2.9
97.02869	8.6
97.06496	5.1
97.10172	3.4
99.04430	1.9
103.05449	6.9
105.03368	27.9
105.07011	10.6
106.02898	30.0
106.04165	4.2
107.04945	9.6
107.08556	5.7
109.02843	9.8
109.06509	8.0
109.10135	5.8
110.06043	0.9
111.04420	1.4
113.05981	1.1
115.05438	3.9
117.06979	3.8
118.04251	0.9
119.04913	18.2
119.08595	5.5
121.02836	1.8
121.06477	10.8
121.10133	4.3
122.03644	4.9
123.04410	4.7
123.08083	1.8
123.11686	1.3
124.03011	1.8
124.03926	56.0
125.05997	1.8
125.09633	1.0
127.03888	7.2
128.06235	1.8
129.06996	18.2
131.04935	6.8
131.08551	5.9
133.06438	6.9
133.10118	4.4
134.03636	1.0
135.04378	3.4
135.07997	6.2
135.11667	1.2
136.05199	3.0
137.05951	100.0
139.11195	0.9
141.06979	1.8
143.04893	1.4
143.08600	1.1
145.02850	5.1
145.06432	6.1
145.10121	1.2
146.03461	0.9
147.04398	4.9
147.08017	1.4
147.11642	1.3
148.05200	1.3
149.05965	17.0
149.09639	1.5
149.13220	1.5
150.06403	1.2
151.03894	2.9
151.07518	65.2
151.11188	1.4
153.05537	1.1
153.12769	1.0
156.45877	0.8
157.06496	12.3
157.10110	3.0
158.07234	1.1
159.08047	4.5
159.11678	1.7
160.05066	1.0
161.05930	15.2
161.09573	6.5
163.03850	6.2
163.07504	19.4
165.06961	3.2
165.09061	14.5
166.07747	0.9
167.07014	12.6
167.08549	7.4
168.07336	0.9
173.05917	1.1
173.09523	1.1
174.06731	11.1
175.07518	9.9
176.08209	1.1
177.05431	7.6
177.06836	1.1
177.09103	4.1
178.05783	1.7
178.07693	3.0
181.04988	6.7
181.06381	1.4
181.08554	1.4
182.05363	0.8
182.07333	1.0
186.06909	1.1
189.09053	31.8
190.07686	0.9
191.06969	5.3
193.06488	3.5
193.08508	1.0
193.10086	5.3
194.07217	0.9
195.08031	16.6
197.05977	0.8
201.09081	1.8
203.08495	1.0
205.06647	0.8
206.07297	1.1
207.08206	1.5
207.10187	4.4
209.06203	1.6
209.08069	9.2
209.09529	1.8
210.06685	2.8
210.08443	2.7
212.08260	3.9
217.12398	0.8
219.10120	11.6
219.59982	0.8
221.05966	6.2
221.09584	8.0
222.06764	0.8
223.07533	7.5
224.08221	1.8
225.09134	7.2
227.07135	1.1
227.10638	23.6
234.06804	1.0
237.09134	3.9
238.06241	1.5
239.10487	0.8
240.07748	1.5
249.09073	3.9
249.73094	0.8
250.07138	6.0
252.07716	1.3
253.08545	11.5
253.12183	13.5
255.10123	19.2
265.08618	1.8
265.12253	0.9
266.09366	0.8
267.08035	0.9
267.10162	4.4
268.08084	24.1
268.10803	1.2
269.08099	4.8
269.17419	3.3
269.20544	1.0
272.10376	1.4
281.11591	3.3
284.10388	1.6
285.11154	13.6
287.05646	0.9
287.12677	22.7
293.11627	1.4
297.11151	3.9
297.14764	1.1
299.12619	1.1
301.14282	1.1
303.04901	1.2
313.14243	12.1
325.14545	1.1
331.15332	62.5
343.15427	7.4
413.21469	1.3
417.15430	1.1
576.14600	1.0
598.22748	49.3
610.22546	6.6
628.23096	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	627.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.9
55.05500	16.5
57.03415	4.6
57.07063	5.2
57.53279	1.9
61.02900	11.4
65.98312	2.2
67.05185	2.8
67.05495	38.0
69.03417	50.0
69.07049	33.7
71.04971	14.2
74.66351	2.2
79.05470	25.2
81.03400	35.1
81.07040	60.8
83.08612	5.3
85.02890	53.1
91.05436	19.2
91.26741	2.3
92.08743	14.6
92.09359	6.4
93.07030	40.9
95.08587	71.2
97.02872	100.0
99.04425	18.2
105.07011	57.0
107.08577	54.9
109.02856	16.0
109.10143	58.4
117.06932	4.4
119.08560	89.3
121.10137	30.0
123.11675	16.1
127.03854	21.6
130.19034	2.8
131.08560	15.8
133.10101	44.2
135.11691	23.2
136.66580	2.5
137.13229	4.5
141.06938	2.8
143.08563	10.6
145.04951	33.6
145.10092	45.7
147.11633	35.6
149.13266	11.3
155.08496	3.6
156.09340	2.8
157.10071	22.1
159.11685	29.5
161.13214	20.0
163.14825	4.2
169.10091	9.8
170.10829	4.1
171.11626	27.9
173.13179	19.8
175.14754	20.4
175.81947	2.4
181.09999	2.7
183.11665	11.0
184.12363	2.8
185.13274	13.0
187.14758	29.1
189.16338	58.9
191.17880	2.8
195.11534	2.8
197.13181	14.5
199.14764	18.8
201.16386	27.9
203.17943	5.4
205.07018	2.5
207.17453	4.1
209.13159	9.1
211.14815	4.3
213.16376	4.7
215.17931	5.6
224.15456	3.0
225.16275	11.0
227.17868	3.5
239.17915	12.1
241.19455	5.0
253.13399	4.7
253.19450	5.5
257.18875	2.7
279.20804	2.6
281.22623	4.4
295.24365	2.9
297.25821	3.5
323.27188	11.0
359.53055	2.8
405.35138	52.9
423.36090	14.1
567.26282	5.0
576.06104	2.9
595.25055	10.3
605.33167	2.7
611.97351	3.0
627.27667	3.9
627.42493	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	627.2832
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
52.73772	0.8
53.91541	0.9
55.05506	1.8
56.96553	7.1
57.28377	0.8
58.01809	0.8
67.05488	5.3
77.85578	1.4
81.03398	1.1
81.07038	1.9
84.96018	1.4
85.02840	1.1
91.05438	2.2
93.07019	1.6
95.08578	1.6
98.97570	1.5
105.06951	1.1
107.08602	1.3
116.98589	1.7
128.98616	1.3
129.64772	1.0
131.00151	1.8
131.07298	1.0
136.07567	1.6
146.99625	1.2
149.01218	2.1
173.01262	1.2
174.09152	5.2
185.07115	1.4
186.99170	1.5
187.12305	6.2
188.10692	1.7
205.00201	1.5
207.41283	1.0
212.09456	1.1
213.10274	1.1
215.11836	4.1
219.01720	1.2
225.10222	4.0
227.11760	2.5
236.09390	1.4
237.10054	1.0
239.11711	1.5
241.09782	1.1
241.13292	1.4
242.60657	1.0
243.11220	28.2
249.10034	1.4
251.11806	1.1
253.09709	1.9
267.11273	8.8
269.12927	1.1
277.09470	1.4
295.10724	2.5
309.12173	1.4
313.13156	1.3
314.12854	1.7
315.13629	1.6
317.17822	18.9
319.10519	1.6
320.58041	1.2
325.15665	8.4
327.13623	5.4
328.14380	1.4
329.11511	2.0
330.12268	2.5
335.19049	12.7
342.12326	2.2
343.13132	2.5
344.13959	4.3
346.15283	1.9
348.13629	4.1
356.13901	3.9
358.15515	2.3
360.16870	1.5
372.17084	5.5
390.15002	1.1
400.16510	2.0
418.80032	1.3
432.18991	4.2
447.22070	2.1
449.20264	1.3
451.16962	1.7
461.22430	8.6
463.21222	2.5
465.18811	12.2
476.20230	1.2
479.20819	5.9
480.21503	4.4
481.22241	2.6
489.22748	1.5
492.21698	1.5
493.22302	6.0
495.16516	1.5
507.23843	4.3
520.21429	1.8
535.22913	5.2
549.24652	10.0
567.18298	7.9
567.25952	42.4
595.25488	31.9
602.29138	1.3
627.27966	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	627.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.01862	3.3
55.05496	2.0
57.03422	2.8
57.07072	0.6
58.62851	0.4
60.48719	0.4
62.93182	0.4
65.03921	1.2
65.33794	0.4
67.05502	4.1
69.03070	0.6
69.03415	10.6
69.07058	3.6
71.04989	1.6
73.02899	1.0
75.04457	0.6
77.03908	0.5
78.04685	0.8
79.05468	13.1
81.02935	0.6
81.03397	12.8
81.07044	6.0
83.04961	1.9
83.08599	0.9
84.45901	0.4
85.02886	12.7
91.05465	8.9
92.08564	0.4
92.09078	2.7
93.03380	3.2
93.07018	6.4
94.07323	0.4
95.04944	10.8
95.08585	6.4
96.69096	0.5
97.02857	7.5
97.06517	2.5
97.09595	0.4
97.10152	2.7
99.04434	1.0
99.08063	0.6
103.05443	5.2
105.03371	100.0
105.04513	3.2
105.07010	7.6
106.04191	6.6
107.04936	5.9
107.08569	5.1
108.52286	0.5
109.02872	6.5
109.06489	2.7
109.10149	3.9
111.04448	0.7
111.08042	0.7
113.05984	0.5
115.05422	2.4
117.03344	1.8
117.06988	3.8
119.04901	2.2
119.08559	4.5
120.08907	0.5
120.41912	0.4
121.06473	7.4
121.10155	3.6
123.04398	15.3
123.08047	0.9
123.11677	1.9
124.05181	2.2
125.05993	3.5
125.09596	2.3
127.03909	6.3
128.06238	2.2
129.06972	6.8
130.04120	0.5
131.04895	4.2
131.08536	5.9
132.05655	0.5
133.06476	3.3
133.10118	3.0
134.03586	1.1
135.04355	2.0
135.08000	2.2
135.11691	1.9
137.05952	5.8
137.09628	0.8
139.07494	0.8
141.06989	2.2
143.08534	2.5
144.05782	0.5
145.02803	4.0
145.04944	0.6
145.06477	4.3
145.10085	2.6
146.07208	0.7
147.04350	2.1
147.07985	0.9
147.11658	1.9
148.05170	2.0
149.05954	11.8
149.07114	0.8
149.09622	0.6
151.03896	1.9
151.07492	5.0
152.04623	0.7
153.05455	2.6
153.09114	2.8
155.06012	0.8
157.06433	3.9
157.10075	1.8
158.07233	0.6
158.19307	0.5
159.08017	3.0
159.11676	1.1
160.05190	0.7
161.05960	6.9
161.09586	3.0
163.03838	0.7
163.07503	5.4
163.11150	0.6
165.05467	0.5
165.06839	0.7
165.09070	2.0
166.06264	0.7
167.06998	48.1
169.06418	1.0
169.10130	0.5
171.07988	1.0
173.05968	4.8
174.06685	6.3
175.07480	3.4
177.05447	8.7
177.09019	0.8
181.04927	12.3
181.06471	0.6
181.08539	10.0
186.06790	1.0
187.07552	0.9
189.09048	14.6
191.06989	7.5
191.10724	1.1
193.08533	0.8
201.09093	4.0
203.10654	2.3
205.08614	0.8
207.08191	0.6
207.09950	1.3
209.08049	13.2
219.10112	25.5
225.08997	0.9
227.07011	0.7
237.07433	0.7
249.07478	6.2
254.47598	0.5
255.10019	0.5
257.11618	0.7
267.08514	7.3
276.49942	0.5
279.10349	0.6
283.09598	0.7
285.11212	0.7
297.11237	0.8
311.12839	0.6
343.15265	0.8
359.14929	0.6
361.16379	9.8
373.16449	0.9
417.15350	6.6
465.28281	1.8
530.31158	0.6
627.24304	3.4
627.33301	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.1
53.03928	4.9
55.01868	12.4
55.05488	2.2
57.03414	3.5
58.59367	0.7
61.02903	1.4
65.03922	10.7
67.05493	7.5
69.03409	7.3
69.07053	3.8
71.01327	1.1
71.04980	2.1
71.90379	0.7
75.04456	4.9
77.03889	0.9
78.04297	0.8
78.04697	8.7
79.05465	15.6
80.05751	0.9
81.03407	7.4
81.07040	9.9
82.04135	0.9
83.04983	1.7
85.02886	15.2
85.06511	1.2
85.71539	1.0
89.03897	4.4
91.05462	38.1
92.08977	1.5
93.03377	17.0
93.07021	20.5
95.04943	21.6
95.08575	10.5
97.02856	2.2
97.06506	6.4
97.10157	1.7
98.06837	0.9
99.04436	2.2
99.08033	1.0
103.05446	30.5
105.03365	20.0
105.04482	1.7
105.07015	20.4
106.04162	52.4
106.62418	0.9
107.04933	15.8
107.08561	9.7
108.05704	1.4
109.02863	1.9
109.06507	7.4
109.10127	4.9
110.03624	4.1
111.04416	4.2
111.08072	2.0
115.05425	10.4
117.03346	7.9
117.07023	7.6
118.04140	6.7
119.04916	4.9
119.08562	7.6
121.02866	1.0
121.06480	56.0
121.10113	4.4
121.73184	0.9
122.07263	0.9
123.04402	11.0
123.08051	1.5
123.11640	1.2
124.05180	4.6
125.05957	17.2
125.09548	1.2
127.03892	1.8
128.06192	1.3
129.06935	1.5
130.04166	1.0
131.04912	16.8
131.08551	7.6
132.05710	3.5
133.02812	2.1
133.06458	12.8
133.10092	3.4
134.03600	8.1
135.04396	5.3
135.08075	3.6
135.11661	4.1
137.05957	17.6
138.03113	1.5
138.06743	1.8
139.07526	4.8
141.06956	1.7
142.02588	1.3
143.08531	1.8
144.05663	1.5
145.02835	14.3
145.06470	9.8
145.10126	4.4
147.04379	3.8
147.07985	1.8
147.11665	4.6
148.05177	17.7
149.05959	76.0
149.09502	1.3
149.13170	1.1
151.03857	4.7
151.07539	7.3
152.04678	3.8
152.08229	1.6
153.05469	6.6
153.09097	19.6
157.06505	1.9
157.10117	4.1
159.08049	1.5
159.11665	5.6
161.05934	12.0
161.09515	1.0
163.03860	2.2
163.07494	25.0
165.05415	3.7
166.06218	2.1
167.06993	73.1
168.52997	1.0
171.06487	5.7
173.05920	9.4
173.13208	1.7
175.07466	4.1
176.04688	2.0
177.05435	51.4
177.09019	1.9
178.05730	1.1
179.07039	1.6
180.07686	1.5
181.04929	57.9
181.08528	25.2
185.13295	1.1
187.07474	1.7
187.14723	1.1
189.05402	1.0
190.06212	3.6
191.06989	52.5
193.08617	3.1
195.06508	1.9
197.13196	1.0
201.05424	1.8
203.07037	1.3
205.08568	1.6
207.08075	1.5
207.10106	1.0
209.08049	100.0
217.08444	1.2
219.10129	2.1
221.07910	1.3
229.51805	0.9
233.08003	2.0
235.09666	3.4
263.09213	7.2
267.10205	1.6
289.17792	1.3
307.09698	1.0
325.10477	1.2
385.12589	7.2
417.15073	7.4
433.09125	0.9
445.25488	1.3
615.36951	1.0
627.33997	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
54.92205	0.1
55.01854	0.3
56.96551	0.3
57.03411	0.8
61.02909	2.0
63.24277	0.1
65.03913	0.2
66.59682	0.1
67.05483	0.3
68.99763	0.6
69.03074	0.2
69.03416	3.0
69.77058	0.1
70.06566	0.7
71.01321	0.1
71.04948	0.5
73.02879	0.6
74.98931	0.1
79.05470	1.1
81.03397	2.0
85.02890	8.8
87.04416	0.3
91.03917	0.2
91.05446	0.5
93.03368	0.2
93.06971	0.3
95.04941	0.8
95.08589	0.2
97.02872	3.3
98.97555	2.7
99.04418	0.3
105.03374	1.5
105.06993	0.7
107.04959	1.7
107.08562	0.7
109.02853	1.3
109.06461	0.2
111.00768	0.8
111.04433	0.2
116.98598	1.8
119.04931	0.3
119.08558	0.8
121.02828	1.2
121.10155	0.2
122.75094	0.1
123.04404	0.3
123.08009	0.2
127.03881	2.0
128.98582	0.3
131.08501	0.5
133.10080	0.7
134.99661	0.8
135.08066	0.1
137.02318	3.9
137.03351	0.2
137.09586	0.7
145.04930	1.4
145.10085	0.3
147.04385	0.6
147.11658	0.2
148.04765	0.1
149.02309	0.6
153.01785	4.5
158.99631	0.7
161.01224	0.2
161.05939	0.2
161.13121	0.2
163.03877	0.6
165.01814	3.0
166.02567	0.2
173.05952	0.3
175.14795	0.2
177.00623	0.8
177.05516	0.2
183.02856	1.4
183.04362	0.2
187.03961	0.2
189.00705	0.2
189.12761	0.3
191.03354	0.2
191.07162	0.2
195.02863	0.3
197.01218	0.2
201.05463	2.1
205.04918	0.2
207.13759	0.2
219.01634	0.2
219.06447	0.2
228.04083	0.2
229.04915	5.2
237.02791	0.7
242.42442	0.1
246.38121	0.1
247.05981	1.1
257.04391	4.0
263.09628	0.5
274.04648	0.9
275.05469	0.2
285.03934	2.0
294.10507	0.2
303.04929	100.0
304.05307	1.1
305.10526	0.2
323.11618	1.3
341.12549	0.3
352.06964	0.2
360.62955	1.5
425.14856	0.3
456.09528	0.2
465.10223	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	627.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.01868	0.4
56.68372	0.1
57.03429	1.4
57.56720	0.1
59.04990	0.2
60.04149	0.1
61.02913	1.8
65.03928	0.2
68.99761	0.4
69.03413	3.4
69.07044	0.2
70.06576	0.6
71.04963	0.3
73.02885	0.8
79.05458	0.2
81.03396	1.8
83.04980	0.3
84.08100	0.2
85.02890	9.4
86.09674	1.1
87.04420	0.2
91.03922	0.8
91.05456	0.3
92.08854	0.4
92.09370	0.2
93.03409	0.2
93.07053	0.6
95.04957	0.4
95.08591	0.2
97.02868	3.1
98.97575	1.3
99.04445	0.4
105.03358	1.3
105.06998	0.4
107.04893	0.8
107.08569	0.4
109.02895	1.5
109.06503	0.2
111.00783	1.0
114.36482	0.2
116.98598	0.7
119.04939	0.3
119.08532	0.3
121.02807	1.3
121.06458	0.2
121.10148	0.2
123.04424	0.3
127.03904	1.6
133.10127	0.4
134.99620	0.2
135.04349	0.3
135.08063	0.3
135.11647	0.2
136.07590	0.2
137.02312	3.9
145.02960	0.2
145.04944	1.7
145.06425	0.2
147.04411	0.9
147.11674	0.2
149.02325	0.7
153.01813	4.0
158.99657	0.2
161.01208	0.2
161.05986	0.3
163.03876	1.1
163.05951	0.2
165.01787	2.8
166.02588	0.2
177.00627	0.3
179.03412	0.2
180.10588	0.2
181.04915	0.2
183.02824	0.9
183.04346	0.3
189.12729	0.2
195.02859	0.2
201.05458	2.0
201.07162	0.2
212.31912	0.2
219.06380	0.3
228.04196	0.2
229.04898	4.1
231.25383	0.2
237.02640	0.3
247.05901	1.2
257.04376	3.8
261.08658	0.2
274.04767	1.4
280.23428	0.2
285.03909	1.3
303.04929	100.0
304.05197	0.9
360.63153	0.3
382.10812	0.2
402.16199	0.2
417.32883	0.2
465.10229	7.3
532.27765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
55.01857	0.4
57.03420	0.9
59.53350	0.2
61.02918	1.8
68.99763	0.5
69.03410	3.3
69.60866	0.2
71.04981	0.4
73.02876	0.3
77.60487	0.2
81.03416	1.9
85.02892	7.9
87.04431	0.2
91.03974	0.3
92.09043	0.9
93.03372	0.3
95.04938	0.3
97.02856	2.7
99.04436	0.4
105.03378	2.4
109.02882	1.5
111.00776	1.1
121.02854	1.3
127.03876	1.0
127.64140	0.2
132.46666	0.2
137.02333	3.7
144.75049	0.2
145.04976	1.1
147.04366	0.3
149.02328	0.4
153.01807	5.0
155.04855	0.2
161.05911	0.4
163.03882	0.9
165.01799	2.0
166.02594	0.2
168.31606	0.2
181.00363	0.2
183.02844	0.7
187.03891	0.2
195.02966	0.2
201.05437	1.7
205.04950	0.3
219.02974	0.2
229.04935	5.3
247.06046	1.0
257.04349	3.2
267.08453	0.4
274.04660	1.0
275.05280	0.4
285.03763	1.6
286.75195	0.2
303.04935	100.0
304.05151	1.0
384.08282	0.2
465.10205	7.2
465.16763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01564	0.1
55.01848	0.2
57.03424	0.6
57.44445	0.1
59.04989	0.1
59.88939	0.1
61.02914	6.8
65.03925	0.2
68.99793	0.5
69.03413	1.2
73.02895	1.4
79.05460	0.1
81.03396	0.8
83.44540	0.1
85.02892	4.8
87.04379	0.1
90.80997	0.1
91.03929	2.0
91.05460	0.1
92.08845	0.3
93.03387	0.3
95.04928	0.2
97.02862	2.7
99.04416	0.2
101.02374	0.2
105.03362	0.3
105.06936	0.1
106.31088	0.2
109.02855	0.8
109.58333	0.2
111.00769	1.3
117.80582	0.1
119.03394	0.1
119.04906	0.3
121.02864	1.1
127.03872	1.1
127.62592	0.1
132.16870	0.1
135.04338	0.2
137.02307	3.9
145.04906	0.5
149.02336	0.2
153.01804	3.8
161.05962	0.2
163.03874	0.7
165.01779	2.4
165.03017	0.2
166.02614	0.2
173.05939	0.3
179.63074	0.2
183.02826	1.1
183.04256	0.2
187.03908	0.2
191.03424	0.2
201.05426	1.7
205.04944	0.2
219.06471	0.2
229.04909	5.1
247.05956	1.0
257.04373	3.7
274.04764	1.0
275.05539	0.2
285.03851	1.6
303.04929	100.0
304.05270	0.8
465.10181	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	626.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29025	0.4
53.03929	1.3
54.82452	0.6
55.01857	1.1
55.05506	9.1
57.03429	38.1
57.07059	3.0
58.59554	0.5
59.04990	0.7
60.47805	0.5
61.02909	9.4
63.03920	0.5
67.05489	11.8
69.03409	9.0
69.07056	14.5
71.04977	3.4
71.50711	0.6
73.02901	1.5
73.25617	0.7
75.04446	2.3
79.05479	4.4
81.03398	7.6
81.06590	1.0
81.07039	16.9
83.04990	0.7
83.08598	8.7
85.02893	12.4
85.06507	0.8
90.00094	0.6
91.05456	4.2
91.16795	0.6
92.08722	2.9
93.07031	5.5
95.04924	2.1
95.08583	20.2
96.22169	0.5
97.02869	20.3
97.06518	1.2
97.10164	5.0
99.04434	4.2
104.44405	0.6
105.03373	1.2
105.07024	5.7
107.08567	3.9
109.02864	3.3
109.06525	0.9
109.10163	9.4
111.11687	2.7
117.05473	92.1
119.08546	5.4
121.10130	3.2
123.11687	3.5
127.03854	4.4
131.08525	1.0
133.10098	5.9
135.11676	4.6
137.09592	2.5
137.13196	1.2
145.04912	5.2
145.10106	0.7
147.11670	1.4
149.13210	0.6
159.06502	100.0
161.13243	2.5
165.09093	8.4
166.09436	1.2
193.19458	0.8
205.07034	4.5
217.19508	4.1
229.21588	2.7
230.77481	0.7
235.20502	1.0
253.21646	1.2
271.22656	1.4
279.74417	0.7
327.25116	0.9
345.26288	1.2
369.26306	26.0
387.27292	23.4
465.15204	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	3.0
56.96558	24.9
67.05482	2.6
69.07055	2.5
71.04966	1.6
75.11439	1.4
79.05486	3.3
81.03426	3.8
81.07026	7.0
91.05462	3.5
93.07001	7.7
95.04967	2.3
95.08569	6.9
97.10117	1.9
98.97568	82.2
105.06991	2.6
107.08562	3.9
111.83183	1.6
116.98595	100.0
119.08575	6.3
121.10091	3.1
128.02238	1.6
131.08528	2.4
133.10078	2.6
134.99634	74.6
135.07988	2.2
153.00694	16.1
154.41139	1.9
158.01282	2.5
168.41818	1.8
173.13268	1.7
176.83342	1.9
182.02800	1.6
189.16347	2.6
195.92383	1.7
250.53801	1.9
260.03922	1.7
327.14746	7.0
329.16214	4.0
411.21872	2.4
477.26715	14.1
487.30994	2.9
493.29855	15.4
495.27753	30.0
511.30786	21.5
513.28735	25.4
529.31934	27.4
531.29871	13.1
536.29565	1.9
543.29749	8.6
555.29663	13.3
573.30865	79.4
581.37836	3.9
582.38220	11.0
585.30841	13.7
591.31921	12.6
596.32257	3.6
603.32056	24.2
625.36371	2.6
626.36737	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	625.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91801	1.4
53.21563	1.1
55.05495	2.1
57.07067	1.3
57.49242	1.3
67.05505	3.6
67.51293	1.4
75.40305	1.3
79.05466	3.7
81.07046	3.9
92.09131	1.8
93.07027	3.1
95.08595	2.8
105.07033	6.4
109.10046	1.7
116.07747	1.4
131.08527	2.0
157.10089	1.7
185.10243	1.9
242.82088	1.8
286.04517	1.9
289.59027	1.8
394.17105	1.6
419.18356	2.1
420.23056	2.0
422.17108	1.8
433.19852	6.4
434.20996	2.0
435.14136	2.6
447.21750	6.7
449.20038	2.3
450.16330	13.1
451.24884	2.2
463.21121	2.7
464.22302	2.8
465.23206	3.4
477.22592	3.7
478.23318	8.4
479.19614	4.4
479.25064	4.2
497.99377	1.8
523.23242	2.8
536.20422	3.3
537.24780	3.2
565.25446	33.7
608.36798	1.8
624.26343	2.7
625.30255	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	625.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25335	1.4
55.05506	1.7
55.83403	1.5
56.44523	1.5
62.11362	1.6
67.05488	3.4
67.33708	1.4
76.56206	1.7
81.07063	2.1
84.74834	1.6
91.05502	1.9
92.09164	2.8
95.08584	2.3
107.08590	1.9
129.12576	1.7
249.96750	2.0
286.08954	1.8
311.37299	1.9
377.17181	2.1
392.19897	2.6
405.20663	15.1
406.21384	3.1
407.22092	4.0
419.22327	3.3
420.22769	2.8
421.23941	11.1
451.21201	30.1
452.22253	2.9
465.22635	16.0
466.23282	4.1
491.20807	2.8
493.26053	17.3
503.24139	13.0
504.24875	2.3
509.21506	3.9
521.25378	7.3
522.25385	2.1
523.23193	12.3
537.24689	8.0
538.25299	21.7
565.24316	9.6
566.25171	2.9
607.25073	8.8
625.16089	3.6
625.26459	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	624.447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.4
55.78856	1.3
57.07064	7.8
61.02898	1.6
65.55727	1.1
67.05493	22.2
69.03414	2.7
69.07053	18.1
71.08640	1.9
73.02895	12.6
74.07533	1.3
79.05471	9.6
81.07037	72.5
83.08611	12.6
84.16534	1.2
85.02891	2.8
85.06478	1.3
91.05469	7.9
93.07015	14.9
95.04938	5.5
95.08581	100.0
97.02870	1.8
97.10158	5.5
105.03372	7.8
105.07028	13.2
107.08578	21.9
109.10141	56.0
111.08015	1.8
114.14941	1.3
117.07037	1.9
119.08550	25.6
121.10133	20.1
123.11679	51.7
131.08569	7.8
133.10107	10.9
133.78349	1.2
135.11700	8.7
137.13240	42.0
143.08585	3.0
145.10118	8.9
147.11656	9.3
149.13269	11.6
151.14851	2.3
152.99251	1.6
153.09097	1.7
153.51607	1.2
156.36598	1.3
157.10115	2.9
159.11668	6.1
161.13242	8.3
163.04028	1.2
163.14716	2.5
165.09067	2.8
169.10110	1.9
171.11650	3.3
173.13216	10.6
175.14778	9.4
176.51990	1.2
177.09087	2.8
177.16319	3.1
179.17921	14.5
185.13290	2.3
187.14804	2.8
189.16368	3.0
191.17931	6.2
192.75624	1.5
199.14828	5.3
201.16374	10.0
203.17894	7.8
212.99051	1.3
213.16364	28.4
215.17918	49.3
217.19467	2.3
223.00220	1.2
227.17903	1.6
231.17317	4.4
241.19493	2.4
243.21010	6.3
247.16821	1.8
259.16760	14.7
261.18457	41.7
275.14816	1.5
301.21555	1.9
303.52066	1.4
382.00723	1.5
393.35074	15.0
401.91968	1.3
411.35968	2.1
439.35654	39.2
457.36655	59.0
475.33661	1.8
506.64362	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	31.2
54.82137	1.0
55.01860	1.6
55.05500	1.3
55.44054	0.6
57.03431	32.4
57.07087	0.7
60.87591	0.7
61.02919	10.7
62.22560	0.7
63.74472	0.7
67.01855	5.6
67.05508	3.5
69.03416	13.7
69.07043	3.5
71.04980	7.2
73.02890	1.0
75.04459	1.2
79.05456	1.4
81.03397	42.1
81.07028	4.0
83.08624	1.7
85.02892	11.9
91.05492	1.3
92.08983	6.9
93.07042	1.9
93.68712	0.8
95.04939	0.9
95.08594	1.4
97.02872	30.8
97.10163	1.0
99.04445	12.0
100.89223	0.7
103.03910	1.9
105.07022	1.8
107.08592	3.4
109.02863	69.3
109.10140	1.2
115.03862	0.8
117.05473	100.0
119.08562	1.2
121.10151	3.3
125.48788	0.8
127.03899	51.1
129.17035	0.9
135.06496	3.5
145.04956	3.3
159.06500	63.3
169.04942	5.5
179.36514	0.8
187.05965	14.8
197.13133	0.8
229.07101	5.0
247.08092	11.8
325.23611	7.5
343.24725	65.5
639.45209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29577	0.4
55.05496	2.6
55.93504	0.4
57.03429	0.9
59.09787	0.4
61.02916	1.2
65.03948	0.7
67.05489	4.0
69.03419	11.0
69.07047	0.9
70.06566	0.6
71.04974	2.1
79.05483	2.8
79.79347	0.5
81.03402	2.1
81.07048	2.1
83.04969	3.4
84.71046	0.4
85.02894	13.5
91.05458	6.6
92.08976	3.4
93.03385	0.8
93.07032	8.6
95.04951	11.6
95.08596	4.6
97.02859	5.5
97.06516	2.1
99.04449	2.4
105.07011	14.0
107.04924	0.8
107.08588	3.8
109.02863	2.3
109.06500	8.3
109.10156	1.2
110.07142	0.6
111.04417	8.9
111.08087	1.1
113.06011	4.5
116.06253	0.6
117.07020	3.6
119.08559	16.2
121.02842	2.2
121.06482	10.5
121.10093	4.2
123.08063	8.3
125.05972	0.7
127.03935	3.7
129.06947	1.3
131.08549	10.6
133.06480	1.1
133.10083	5.4
135.08035	16.9
137.05977	0.9
137.09650	4.3
139.03905	0.9
139.07512	1.3
141.07002	0.9
142.07780	3.1
143.08510	5.2
144.09277	0.6
145.04985	1.2
145.06485	3.7
145.10109	9.4
146.06084	3.8
146.07120	0.8
147.04395	2.1
147.08049	10.4
147.11652	4.9
149.05980	2.1
149.09630	2.5
151.07535	2.0
154.07883	0.6
155.08560	2.3
156.09308	0.9
157.10092	6.1
158.07297	4.9
158.10870	0.6
159.08028	10.9
159.11673	10.6
160.08827	0.6
161.05984	0.8
161.09579	13.5
163.07501	1.3
165.09085	8.4
167.05553	0.6
167.07019	0.5
168.09297	2.2
169.10120	2.1
171.07991	0.9
171.11685	3.6
172.08813	3.5
173.09615	5.2
173.13237	6.1
175.07518	16.1
175.11131	8.5
181.10103	0.9
183.11694	3.7
184.08768	1.0
185.09631	1.9
185.13260	0.8
186.10501	0.8
187.11139	10.3
188.06995	3.9
189.07504	1.0
189.09111	4.6
189.12675	4.2
193.08571	3.2
193.10094	1.0
196.08801	3.0
199.11159	8.2
201.12715	12.1
203.10629	12.7
205.09756	0.6
205.12177	2.2
207.10229	0.7
211.11137	7.1
214.09770	0.5
217.12215	8.4
219.13831	2.3
229.12218	9.2
235.13225	2.5
247.13260	27.8
265.14304	100.0
266.14709	0.8
286.47128	0.5
330.09790	0.5
340.54138	0.6
353.59009	0.6
365.41318	0.6
369.97565	0.6
393.27377	0.5
409.18307	4.7
427.19489	0.8
469.63126	0.6
491.59732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
53.64783	0.6
53.70577	0.6
55.01860	1.4
55.05497	3.0
57.03411	1.1
58.65400	0.8
59.81620	0.8
61.02909	3.3
67.05489	10.2
69.03416	14.8
69.07050	1.9
70.06559	0.8
71.04971	7.1
73.02894	1.0
79.05469	5.8
81.03392	3.5
81.07038	9.0
83.04973	7.4
84.23930	0.7
85.02883	27.7
85.06535	1.2
87.04435	3.2
91.05454	7.1
93.03393	1.7
93.07019	13.5
95.04944	18.1
95.08594	7.9
97.02865	7.6
97.06513	3.5
99.04409	4.3
105.07008	17.7
106.75744	0.8
107.04906	1.4
107.08580	13.6
109.02850	1.5
109.06496	16.9
109.10148	6.7
111.04417	13.7
111.08040	4.1
113.05980	8.4
117.07028	3.4
119.04924	1.1
119.08551	23.5
121.02836	4.5
121.06477	8.2
121.10120	4.8
123.04370	1.4
123.08014	6.9
125.06000	1.8
125.09591	1.1
127.03902	4.1
129.06970	1.6
131.04939	1.0
131.08540	11.5
133.06487	9.8
133.10106	12.1
135.04393	1.3
135.08028	14.8
137.05957	3.2
137.09590	3.9
139.03871	4.0
139.07533	1.7
141.05527	1.0
142.07787	1.9
143.08540	8.9
144.09288	1.9
145.04933	4.8
145.06467	3.2
145.10106	16.7
146.07254	0.9
147.04388	5.1
147.08034	17.8
147.11652	4.2
148.08725	0.8
149.05978	3.3
149.09566	3.7
151.07510	1.7
155.08540	1.5
155.10631	3.9
156.09273	3.5
157.10091	5.8
158.07246	3.0
158.10889	0.9
159.08034	10.7
159.11646	18.3
161.02042	1.1
161.09593	21.6
161.13275	1.5
162.05463	1.8
163.03853	4.9
163.06110	1.3
163.07501	4.3
163.11153	1.5
165.09056	7.2
168.09285	3.5
169.10075	1.2
171.07979	3.7
171.11688	4.0
172.08734	6.3
173.09581	1.8
173.13229	13.0
174.74376	0.9
175.07484	13.7
175.11142	6.6
177.09158	1.4
183.11594	5.7
185.04189	1.4
186.10359	1.3
187.07590	0.9
187.11127	10.9
188.08304	0.9
189.09109	12.5
189.12729	3.7
191.10637	3.5
193.08583	3.1
196.08815	3.2
199.11124	6.3
201.12706	12.8
203.10637	6.7
205.12218	6.7
207.10153	7.3
211.11171	6.8
217.12144	7.5
219.13789	8.8
229.12184	13.6
235.13251	4.9
247.13228	51.8
253.14194	3.1
265.14288	100.0
283.15259	4.5
323.07242	7.2
324.10532	1.6
334.85599	0.9
409.18423	4.8
427.19531	8.4
501.07779	0.9
578.84296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91535	0.3
53.03936	2.3
53.68415	0.3
54.82399	0.4
55.01872	2.8
60.51549	0.3
65.03917	1.5
66.04697	0.4
66.91656	0.3
67.05500	0.5
69.03407	2.6
70.06590	0.5
77.03947	0.5
78.04675	0.4
79.05474	11.2
81.03412	0.6
81.06590	0.7
81.07035	12.0
83.05018	0.4
84.08105	0.4
85.02894	1.8
91.04885	1.0
91.05459	23.6
93.03383	0.7
93.07018	1.7
94.04163	3.4
95.04949	9.0
95.08551	0.5
97.02892	0.7
103.05408	0.9
103.11808	0.4
105.03366	6.2
105.04489	0.8
105.06996	2.5
106.04150	2.3
107.04942	8.5
107.08610	0.8
109.02805	0.5
109.06499	58.1
111.04451	0.4
119.04919	6.1
121.02766	0.4
121.06483	3.5
122.03602	0.5
123.04401	4.5
125.05988	1.0
131.04884	0.8
133.02829	16.9
133.06444	1.5
135.04387	3.6
136.07568	0.7
137.05952	100.0
139.03833	0.4
140.04665	0.6
147.04398	0.9
147.05478	0.6
149.05977	4.2
151.07530	1.0
152.04628	0.5
153.05457	0.8
153.06953	0.4
153.09099	0.5
154.06210	1.8
155.07106	0.9
161.05995	2.7
163.03798	3.1
163.07515	0.6
165.05440	51.8
167.07007	13.0
175.07516	0.5
177.05408	3.1
180.07738	0.4
181.06432	0.9
181.08595	0.9
182.07187	0.8
183.07979	0.8
191.07022	1.6
193.08543	0.9
195.06500	0.9
195.08083	0.5
196.05214	0.5
197.08055	92.4
205.08562	0.5
209.08055	4.9
211.07500	1.6
213.05548	0.4
223.09584	0.8
225.09184	0.5
228.07724	0.6
235.09557	1.5
255.06429	0.5
289.43747	0.5
317.13794	0.7
329.13708	0.8
331.07846	0.8
331.11682	17.4
333.13269	0.5
345.13416	0.6
411.68698	0.4
472.11368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01856	1.6
59.23689	0.2
63.02346	0.2
65.03924	1.4
67.05488	0.5
69.03403	1.6
77.03909	0.4
78.04669	0.4
79.05473	10.3
81.03391	0.6
81.07037	11.7
85.02880	1.1
91.05456	22.0
92.09126	1.3
93.03419	0.4
93.07003	1.3
94.04178	2.9
95.04945	6.6
95.08595	0.3
103.05431	1.3
105.03375	4.9
105.04472	0.4
105.07007	1.7
106.04143	1.8
107.04211	0.3
107.04931	8.0
107.08585	0.4
109.06497	59.0
111.04436	0.4
116.95380	0.3
119.04908	5.3
119.06021	0.6
119.08459	0.4
120.33396	0.3
121.06491	2.7
122.03662	1.1
123.04372	5.0
125.05947	1.2
130.56540	0.3
131.04897	1.5
133.02827	16.0
133.06479	1.4
134.03571	0.5
135.04378	4.5
136.45811	0.3
137.05952	100.0
139.03877	0.4
140.04626	0.4
145.02823	0.3
145.06514	0.5
147.04395	0.7
147.05444	0.3
148.05217	0.5
149.05971	4.5
151.07549	0.5
153.05409	1.6
153.09074	1.2
154.06171	2.5
155.07048	0.5
159.04411	0.3
161.05907	2.2
163.03876	2.7
165.05437	57.3
167.07002	9.1
169.08588	0.5
173.05908	0.4
177.05429	3.6
179.06964	0.5
181.08585	1.1
182.05652	0.5
183.06474	0.6
183.07956	0.6
191.06987	1.2
193.08543	1.7
195.06448	1.1
196.49719	0.3
197.08051	87.7
198.06686	0.4
207.02829	1.3
207.07605	0.4
209.06216	0.5
209.08058	5.0
211.07480	1.2
213.05400	0.4
213.08937	0.4
215.97285	0.3
223.07451	0.4
223.09564	0.7
225.08948	0.4
235.09573	1.7
238.06364	0.3
240.07353	0.4
241.08403	0.3
251.06888	0.3
253.10739	0.4
255.05888	0.3
266.26675	0.3
267.06769	0.3
316.09390	0.4
316.13031	0.6
317.13733	0.6
319.11560	0.5
323.07346	0.4
329.13516	1.3
331.11700	10.5
341.08704	0.5
341.13425	0.6
405.66708	0.3
614.54700	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	15.9
55.01861	2.0
55.05503	10.3
55.66541	0.7
57.03428	37.3
59.53899	0.6
61.02919	8.5
67.01852	3.5
67.05492	18.1
69.03416	12.6
69.06734	1.0
69.07049	9.2
71.04964	5.7
75.04427	1.1
76.16447	0.8
79.05472	6.5
81.03402	43.4
81.07038	21.4
83.04959	1.9
83.08593	6.9
84.41826	0.9
85.02890	11.6
85.06560	1.7
91.05453	4.7
92.08655	1.6
92.09267	3.4
93.07019	7.1
95.04933	1.7
95.08582	22.4
97.02866	18.9
97.06518	1.8
97.10155	6.1
99.04427	14.5
101.93821	0.8
103.03945	1.4
105.03373	5.1
105.07014	6.2
107.08559	6.5
109.02862	54.3
109.03614	1.8
109.10138	15.5
111.08046	1.1
116.29509	0.9
117.05470	84.6
119.08528	6.7
121.10127	3.8
123.04401	0.8
123.08072	1.9
123.11672	4.1
127.03894	40.7
131.08554	1.6
133.10114	6.9
135.11649	1.4
145.10115	1.7
147.04416	1.1
147.11705	3.9
157.10059	1.2
159.06500	100.0
159.11661	2.9
161.13254	1.2
163.03920	1.0
164.78902	1.0
165.09081	3.6
165.16364	1.8
169.04944	5.2
187.05977	14.8
189.16415	4.2
201.18494	2.0
207.17509	1.0
225.18459	1.2
229.07039	4.4
247.08083	20.9
296.87393	1.1
341.23157	25.8
359.24243	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	623.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80026	1.0
52.18136	1.0
53.03925	2.3
53.04703	0.9
55.01866	4.7
55.05508	23.3
57.03426	13.6
59.04958	1.2
61.02914	23.4
65.03912	1.5
66.40808	1.1
67.05495	44.6
69.03425	10.1
69.07057	16.3
71.04976	3.1
73.02884	6.4
79.05474	39.9
81.03393	10.9
81.06592	2.1
81.07038	43.3
83.04955	6.7
83.08595	14.1
85.02888	19.5
85.06512	2.5
91.03928	7.9
91.05466	55.5
92.09014	8.9
92.09473	1.2
93.07020	33.1
95.04958	13.4
95.08583	22.3
97.02858	16.8
97.06491	5.0
97.10164	3.0
99.04406	1.7
99.08023	1.3
105.03381	8.7
105.07012	42.7
105.80986	1.1
107.04930	8.4
107.08587	20.9
109.02833	1.8
109.06493	7.9
109.10133	14.3
111.08043	2.7
115.05417	6.0
117.05463	2.7
117.06990	33.3
119.08565	28.1
121.06458	7.9
121.10118	10.6
122.61437	1.2
123.04347	2.3
123.08015	2.6
123.11662	1.8
125.09607	2.2
127.03880	3.0
128.06158	10.9
129.06979	41.3
131.08542	46.2
133.06488	7.2
133.10091	20.1
135.08020	6.8
135.11652	6.5
136.06123	1.4
137.05963	2.5
137.09569	2.0
141.06966	14.5
142.07748	5.5
143.08542	41.2
145.06483	8.0
145.10114	24.9
147.04318	2.2
147.08003	9.3
147.11636	6.9
149.09564	5.5
151.11177	1.6
153.06903	1.4
154.07780	1.6
155.08548	31.5
156.09315	2.5
157.06448	2.8
157.10120	21.6
159.08041	4.9
159.11705	9.6
161.09526	2.2
161.13237	1.3
163.11200	2.4
165.07028	2.4
165.08974	1.6
167.08534	11.8
168.09325	2.0
169.10110	15.3
171.08014	2.3
171.11688	11.2
173.09560	5.2
173.13239	5.5
173.71709	1.5
175.11093	1.9
177.12596	1.3
179.08511	4.6
180.09396	1.5
181.10109	12.6
183.08002	1.5
183.11662	9.6
185.09563	2.7
185.13185	9.5
187.11160	1.5
187.14864	2.0
193.10123	6.1
195.11679	14.3
197.13226	5.6
199.11270	2.0
199.14780	5.5
201.12749	1.8
205.10114	1.4
207.11621	2.9
209.13219	5.2
211.11226	1.8
211.14870	5.4
213.12701	5.7
215.14272	3.0
221.13222	5.9
223.14746	6.9
225.12711	1.8
225.16302	2.6
227.14294	1.8
229.15874	1.4
231.13899	1.3
235.14703	2.1
237.16299	4.5
239.14241	5.9
241.15904	1.6
253.15883	2.0
257.15262	1.6
271.16809	2.2
323.23544	1.6
333.22021	7.8
341.24680	7.3
351.23111	27.1
369.24149	27.7
387.25195	13.4
391.81815	1.6
399.98511	1.4
400.24448	1.5
425.26581	2.5
440.95380	1.5
443.27820	100.0
461.28885	63.1
623.33447	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	17.9
55.01853	3.0
55.05499	10.3
57.03428	38.3
57.07045	1.1
61.02913	9.3
67.01836	3.9
67.05488	19.0
69.03413	13.7
69.07060	8.3
71.04968	4.7
73.02879	0.9
74.99780	0.7
75.04459	1.3
78.84930	0.7
79.05465	7.3
81.02933	1.6
81.03397	42.5
81.07040	18.8
83.04980	1.1
83.08604	9.3
85.02885	10.1
91.05451	6.2
92.08674	1.4
92.09258	1.7
93.07008	7.3
95.04929	1.7
95.08582	21.5
97.02872	22.7
97.06528	1.8
97.10135	5.7
99.04436	15.0
103.03930	1.5
105.03377	3.7
105.07014	5.8
107.08564	7.6
109.02861	56.7
109.06473	1.1
109.10136	13.6
111.08016	1.0
116.10702	0.8
117.05468	100.0
119.08543	5.9
121.10101	4.6
123.07987	1.2
123.11701	5.2
127.03885	41.6
131.08537	1.1
133.10104	7.0
135.11652	1.5
137.09535	1.3
143.08434	1.0
145.04948	1.1
145.10118	0.7
147.11652	3.0
151.11189	1.2
159.06493	97.1
159.11653	0.9
165.09056	1.6
169.04890	4.9
187.06010	14.3
189.16368	4.9
197.97392	0.7
201.18364	3.6
207.17352	1.7
229.07051	4.2
243.19510	1.0
247.08075	21.7
281.21149	1.0
341.23199	27.9
359.24173	21.7
361.19876	0.8
474.61255	0.8
553.79413	0.9
566.76874	0.9
646.81689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.7
66.99203	0.6
67.05507	2.7
81.07053	0.8
87.36463	0.7
91.05496	1.1
107.08559	0.8
109.10153	1.3
137.63278	0.6
189.90228	0.7
317.20911	0.8
332.88431	0.7
354.12305	0.8
389.17853	0.8
390.18488	1.3
391.19089	2.5
403.19360	0.8
404.20245	1.1
405.20856	2.8
406.21191	1.1
407.22278	2.7
419.18384	3.7
419.22614	3.2
421.23892	1.2
429.16675	0.8
431.18243	1.2
432.19379	1.1
433.19928	4.7
434.20309	0.9
435.21616	1.0
444.19662	0.7
445.20065	4.5
446.21353	2.6
447.22195	6.1
448.22733	1.5
449.23257	7.2
450.24512	0.8
457.20242	1.1
459.22147	1.2
461.19724	2.8
463.21146	1.4
475.21292	3.7
476.21805	8.2
477.22684	5.8
489.23145	1.5
503.24588	1.0
505.21768	0.9
521.21930	1.0
533.25629	4.1
535.26813	4.3
545.25232	1.4
563.26532	23.7
564.26538	0.9
605.27655	1.6
606.28448	0.9
622.28107	2.6
622.63953	0.9
623.28552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
56.78806	0.8
74.78096	0.6
81.07047	1.3
92.09200	1.6
92.92844	0.7
93.25128	0.7
95.08591	0.8
110.13874	0.8
125.75319	0.6
175.14917	0.7
389.17529	4.0
390.18369	1.4
391.19180	4.8
400.49292	0.8
403.19150	4.2
404.20200	0.9
405.20804	9.2
406.21078	0.9
415.19720	1.0
416.19815	0.8
417.16370	6.6
418.17841	3.7
419.18774	4.0
431.18445	10.5
432.19308	7.3
433.20108	12.8
445.20309	3.9
446.20712	0.9
449.23340	1.3
461.19592	3.0
462.20190	1.3
463.21140	1.6
475.21057	2.7
476.21698	6.0
477.22668	5.0
489.22812	2.4
519.23828	26.8
547.23383	0.9
563.26410	15.9
564.26703	1.0
579.25500	5.6
622.27789	1.8
623.28552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
55.05503	0.4
63.20803	0.4
65.02995	0.4
67.05504	1.1
70.70940	0.4
71.91792	0.5
74.27522	0.4
75.61623	0.5
78.08745	0.4
79.05517	0.5
81.07047	1.1
82.30630	0.6
91.05547	0.6
92.09044	2.0
95.08611	0.5
105.07043	0.6
109.10172	0.7
121.10106	0.5
124.42596	0.5
133.10052	0.5
142.05339	0.6
155.29637	0.5
163.17036	0.5
183.72554	0.5
209.10780	0.6
211.08586	0.7
225.10287	0.8
237.10081	0.6
249.10358	0.8
326.16904	0.6
329.15103	0.6
377.17569	0.6
382.33841	0.5
389.17618	1.2
390.18552	0.8
391.19205	3.1
402.18948	0.7
403.19577	1.3
405.20740	2.5
406.21445	1.8
407.22104	0.7
417.16681	0.9
417.21558	1.0
418.17593	2.2
419.18500	2.9
419.22449	3.2
420.19064	0.8
421.23843	2.9
431.18640	2.4
432.19382	2.4
433.19855	5.7
434.20880	2.1
435.21765	1.7
443.18378	0.9
445.20245	4.6
446.20993	1.1
447.22662	5.6
448.22705	2.5
449.23270	7.4
458.20773	1.1
459.21738	2.3
461.19669	3.1
462.20044	1.8
463.21356	1.9
475.21243	2.9
476.21841	9.0
477.22589	5.1
478.24088	0.8
489.22824	3.9
490.23810	0.7
503.24081	3.1
519.24756	0.8
531.23993	0.8
533.25720	5.1
535.27673	4.2
536.23676	0.7
545.25256	0.8
549.24951	0.6
563.26495	26.1
564.27203	1.9
591.25842	1.2
605.27502	2.7
606.27863	0.7
622.27588	2.8
623.28528	100.0
624.28741	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
66.42004	0.3
67.05512	0.5
69.07073	0.3
79.05479	0.5
81.07025	0.6
89.90936	0.5
92.09129	0.8
93.07022	0.7
93.26324	0.3
96.08966	0.4
105.07025	0.7
107.08651	0.4
302.43512	0.3
388.17004	0.4
389.17770	1.5
390.18475	0.5
391.19122	0.5
400.16772	0.5
401.17618	0.8
402.18561	0.9
403.19339	3.2
403.23688	0.4
404.19916	1.4
405.20895	2.1
415.19147	1.7
416.19827	1.8
417.16446	1.7
417.21579	3.6
419.22516	5.8
420.23090	0.4
428.16409	0.7
429.16623	0.8
429.21817	0.5
430.17218	0.7
430.22238	0.5
431.18469	4.0
431.22748	2.9
432.19357	2.1
433.20197	2.7
443.18558	5.2
444.19211	1.9
445.19937	10.4
446.20825	6.5
447.21951	6.0
449.23386	2.0
457.20291	2.1
458.20950	0.8
459.21735	5.7
460.22833	0.7
461.19559	1.8
462.20380	1.8
463.21420	2.1
473.23273	0.7
475.21320	1.9
476.21820	6.3
477.22711	7.0
489.22961	1.5
503.24774	0.8
505.21698	0.5
508.24130	0.5
519.24841	0.4
521.21851	1.5
532.24652	0.5
533.25391	16.9
535.23724	0.4
545.25330	1.6
561.24701	0.7
563.26453	21.5
564.27191	0.7
591.25891	1.4
593.27655	4.4
595.28046	0.4
605.27753	1.4
622.27521	1.5
623.28546	100.0
624.28973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03249	0.3
55.05492	0.3
67.05502	0.4
69.29008	0.3
78.67114	0.3
79.05449	0.3
81.07032	0.5
92.08897	2.0
93.07041	0.6
109.10162	0.4
169.03389	0.5
199.08768	0.4
218.96779	0.3
377.17590	0.5
387.16324	0.4
389.18237	0.6
390.18433	0.4
392.57480	0.4
400.16913	0.4
401.18036	0.5
403.19348	0.8
404.20129	0.8
405.21051	0.6
413.17630	0.7
414.18539	0.6
415.19318	2.1
416.20224	0.6
417.21039	0.9
419.17944	0.7
419.22440	1.6
427.19031	0.5
428.20151	1.3
429.20840	7.6
430.21698	1.5
431.18375	0.5
432.18704	1.2
433.24365	1.2
434.20880	0.6
435.21652	0.4
443.22446	4.8
444.23477	3.4
445.24033	1.7
446.21121	0.4
447.22336	2.8
448.22250	0.8
449.23322	1.6
456.19269	0.6
457.19376	1.0
457.24255	2.0
458.25302	2.7
459.21753	5.1
460.22830	2.4
461.18384	0.5
461.23428	2.4
462.20361	2.4
463.21173	0.4
470.21231	0.7
471.21909	1.3
472.22479	4.3
473.23703	3.8
474.20383	0.8
475.21289	1.8
476.21609	1.8
477.22858	2.7
485.23325	5.8
486.24069	2.2
487.25223	2.5
488.21744	0.6
489.22705	1.6
490.23709	0.4
503.24570	2.6
517.26166	3.7
519.23859	2.2
520.24377	0.6
521.22192	1.6
531.23846	4.5
535.25647	0.5
545.25409	54.4
546.25958	1.8
562.25110	1.8
563.26312	14.3
577.27606	0.7
591.25739	0.6
600.92072	0.4
605.27252	5.1
622.27472	5.3
623.28503	100.0
624.28162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47541	0.5
54.81784	0.6
59.30640	0.6
62.58477	0.6
72.82284	0.6
81.07038	0.7
91.05452	0.8
92.08730	1.5
92.09275	1.4
98.92351	0.8
107.08568	0.7
152.40567	0.7
177.48854	0.7
333.23849	0.9
391.19214	1.0
401.17999	0.9
403.19223	0.9
404.20709	0.7
405.20499	4.8
406.21533	1.3
414.18344	1.1
415.19049	3.1
417.20792	1.1
419.22690	0.9
420.22861	1.1
429.21036	5.2
430.21466	2.6
431.18280	1.4
433.19916	3.4
442.22211	0.8
443.22574	2.8
444.23471	1.4
447.17432	5.7
448.22665	1.7
457.24109	1.6
459.21252	5.1
460.22519	3.9
461.19193	15.4
472.22437	1.7
475.20706	5.2
476.21936	22.4
477.22211	1.4
485.23453	12.6
486.20526	3.4
488.22202	1.5
489.22540	1.2
500.22177	1.1
503.24207	11.6
507.23770	0.9
513.22870	1.2
515.24371	8.3
521.25342	7.7
531.23859	19.8
535.23566	1.3
545.25165	8.4
549.24823	13.3
559.23431	7.5
562.25146	0.9
563.26355	6.4
564.27039	1.1
591.25934	25.0
605.27209	1.3
623.28528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68033	0.3
88.66801	0.4
92.09129	1.8
103.86271	0.3
152.66441	0.4
152.67741	0.3
164.05223	0.3
209.10786	0.4
375.16162	0.6
389.17972	0.7
390.18323	0.6
391.19177	1.9
402.18445	0.8
403.19159	2.6
404.20093	0.7
405.20828	2.1
406.21515	0.5
407.22125	1.8
415.19339	0.6
416.19904	0.8
417.20804	2.2
418.17807	1.7
419.17493	0.6
419.22922	3.9
421.24277	0.5
429.15906	0.5
429.21066	1.3
430.17447	0.8
430.22171	0.6
431.17783	3.6
431.23383	0.7
432.19141	1.8
432.23740	0.8
433.20013	7.7
434.20947	0.8
435.21622	0.6
443.18759	1.9
444.18668	2.9
445.19461	4.5
446.21133	3.6
447.21802	5.8
448.22443	2.2
449.23312	0.6
458.20813	9.3
459.21530	6.7
460.22806	5.5
461.19275	0.6
463.20795	2.9
465.22794	0.5
471.21469	0.6
472.22562	0.7
473.23453	0.7
475.21542	1.6
476.22110	1.6
477.22699	2.6
485.23535	0.7
491.24304	0.5
504.24881	0.6
505.26245	0.4
517.22516	1.8
518.22864	5.6
519.23236	0.4
521.21802	0.6
531.23694	0.8
533.25354	9.1
534.25775	0.7
535.26306	2.1
545.25232	4.2
546.26245	1.5
563.26343	5.8
564.27179	0.5
577.28094	0.6
605.27393	14.5
622.27734	3.3
623.28503	100.0
624.29224	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39016	0.5
58.23064	0.5
73.93143	0.5
83.64558	0.6
89.06006	0.8
92.08978	4.9
116.28248	0.6
129.06584	0.5
159.21710	0.6
221.82788	0.7
223.12361	1.1
376.16953	0.7
377.17526	1.3
378.18240	0.9
379.88321	0.6
389.18369	0.9
390.18582	1.4
391.19144	3.7
392.19937	3.2
393.20618	0.9
400.16946	1.4
401.17090	1.1
403.20172	1.2
404.20615	2.4
405.20892	5.7
406.21512	4.7
407.22177	14.1
413.17624	2.8
414.18268	4.7
415.18982	4.3
416.20633	1.2
417.21164	1.1
419.18011	1.0
419.22736	1.4
420.23520	2.0
421.23776	14.4
422.24683	3.0
427.19244	3.2
428.19885	3.4
429.20740	14.0
430.22037	1.3
432.19360	0.8
433.15720	0.8
433.24368	1.2
438.29855	0.7
442.21667	1.0
443.22485	9.1
444.22903	3.8
445.20108	1.4
447.17712	1.4
449.22812	0.8
455.18094	0.9
457.24554	4.8
458.24860	7.7
459.21759	9.5
460.22659	2.1
461.19791	4.0
462.20465	1.4
463.21521	1.3
470.21335	1.3
471.22458	1.2
472.22574	8.5
473.23947	1.3
475.21191	9.2
476.21729	6.1
477.22217	4.5
478.23615	0.9
485.23523	15.2
486.19614	1.9
486.25278	1.9
487.20795	0.9
488.21762	1.1
489.22794	2.5
493.25519	1.1
499.21097	4.6
500.22052	3.9
502.23245	1.1
503.24487	8.6
504.21957	0.7
507.24176	0.9
513.22760	2.5
514.23431	1.0
517.26129	8.0
521.25360	1.2
529.25891	3.5
530.22461	0.8
531.23895	1.0
535.27094	6.7
545.25366	86.2
546.25781	1.3
563.26398	1.2
564.27106	2.4
573.24817	21.1
591.26135	1.0
605.27460	81.8
623.28497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51959	0.7
51.21497	0.7
54.31398	0.7
55.05486	1.2
66.90625	0.8
67.05484	2.0
70.93353	0.7
79.05499	0.8
81.07050	1.8
91.05431	1.3
92.09020	5.2
93.07029	1.1
95.04961	1.4
95.08613	0.9
107.08553	0.9
109.06532	0.8
109.10187	0.9
119.08547	0.9
121.09994	0.8
159.16777	0.8
197.10699	1.0
209.61855	0.9
221.10742	1.1
223.23341	0.8
233.10901	1.2
289.81165	1.0
293.07175	0.9
350.94922	0.9
363.16031	1.5
376.17172	1.1
378.18594	1.0
389.17798	0.9
391.14850	1.1
391.19205	4.2
392.19806	1.2
393.20804	3.2
399.16183	1.8
400.16882	1.4
401.17651	6.2
404.20053	0.9
405.21127	1.4
406.21405	1.8
407.22372	5.9
413.17969	3.2
414.18546	1.4
415.19257	6.7
416.20309	1.3
417.21066	1.4
419.18188	2.0
419.23059	1.7
421.20187	3.6
427.19507	1.4
428.20300	2.0
429.21051	3.2
430.21393	4.1
435.22388	2.5
443.17935	1.5
443.22894	1.5
444.19437	4.1
447.18271	4.2
448.18997	1.3
449.19418	1.1
456.19586	1.6
458.20773	1.9
459.18179	1.7
461.19681	4.4
463.20703	1.3
471.22128	8.9
472.18625	1.9
473.19601	5.1
474.20541	1.5
475.21283	4.2
476.18256	1.8
477.19104	0.9
482.20978	1.1
484.19852	1.1
485.20059	1.6
486.20395	3.1
489.23593	8.5
490.19440	7.3
491.20609	1.9
493.22632	1.3
499.21301	22.4
501.23199	8.0
503.20755	4.8
507.24271	1.7
508.24896	1.0
513.19086	1.7
517.22382	16.5
518.22571	4.9
527.20575	2.0
529.22168	12.1
535.23181	5.1
545.21722	45.4
562.22412	1.1
563.22546	6.4
564.23151	5.3
573.21185	14.4
603.83990	1.0
605.23846	82.2
622.40887	1.0
623.24866	100.0
624.25085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05468	2.6
69.07052	1.6
72.17820	1.4
79.05457	2.5
81.07037	2.2
92.08787	1.5
95.08601	1.6
105.07009	2.3
124.83015	1.4
136.22159	1.5
162.86461	1.4
223.12071	1.9
250.53290	1.5
304.83777	1.6
363.16003	1.6
375.16513	1.7
377.17288	1.8
391.19043	6.9
392.19724	2.3
393.20709	2.9
399.15936	1.9
401.17749	2.0
405.20471	2.8
406.20398	1.4
407.22064	2.7
415.18994	2.3
429.20920	1.7
447.18118	7.1
448.18216	2.0
461.19498	1.9
463.20560	2.8
471.22375	4.1
473.19467	3.4
474.20563	2.9
476.22159	2.2
485.19656	1.8
486.20239	1.9
489.22906	6.7
490.19821	6.7
491.20172	2.1
499.21381	14.0
503.20740	6.2
517.22217	22.2
518.22565	6.3
529.21899	9.5
535.23401	2.2
536.23291	2.6
545.21667	25.6
563.25092	2.5
564.23322	2.9
573.20746	6.4
605.23792	32.3
623.24774	100.0
624.25134	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	622.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	12.3
57.03424	2.1
60.13196	2.3
61.02898	2.2
66.01614	2.2
67.05492	16.7
69.03403	5.1
69.07050	9.1
70.23359	2.1
70.49403	1.8
71.05005	2.5
72.17885	1.9
73.02906	19.4
79.05475	14.2
81.03410	9.6
81.07039	42.1
83.08605	11.0
85.06531	2.7
90.78074	1.9
91.05455	12.6
93.07033	30.0
95.04960	5.0
95.08575	58.2
97.02891	5.1
97.10130	2.6
105.03386	2.3
105.07007	39.4
107.08588	50.0
108.32368	2.3
109.06480	3.2
109.10149	39.1
111.08065	28.8
113.66550	2.4
114.36338	2.6
115.03891	3.6
119.08547	46.4
121.10108	37.1
123.08090	2.8
123.11696	9.5
131.08546	13.0
133.04906	2.5
133.10110	38.5
135.11668	18.0
137.13235	3.3
139.11105	4.3
143.08504	3.6
145.10077	21.5
147.11655	27.0
149.09544	2.1
149.13243	28.0
157.10100	5.3
159.10509	1.9
159.11649	21.2
161.09607	2.9
161.13199	22.3
163.14810	18.6
169.09967	2.1
171.11583	2.6
173.13226	13.2
175.14804	21.1
177.16339	17.3
177.49388	2.7
183.11560	2.5
187.14839	13.2
189.16322	51.5
191.17947	4.0
191.81837	2.7
201.16370	40.4
203.17899	38.5
205.15948	2.7
205.19437	2.8
207.17395	4.2
213.16341	4.2
215.17905	18.8
219.17493	3.4
221.18956	3.7
222.13658	2.6
227.17928	2.7
229.19548	3.2
233.15404	2.8
236.01044	2.0
241.19305	3.5
242.20621	2.2
243.20995	4.4
247.16811	3.1
249.18439	3.0
261.18472	2.4
283.24011	2.6
289.35211	2.7
326.49957	2.3
391.33456	9.4
397.30560	3.8
409.34460	23.2
421.25745	4.7
425.33835	5.6
437.34024	100.0
455.35126	51.6
489.53503	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	622.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29906	1.1
51.14135	1.2
53.00288	1.3
53.03941	1.5
55.01624	1.6
55.01862	16.2
55.05502	11.1
57.03429	26.5
57.07059	2.6
57.31170	1.2
59.05000	1.2
61.02906	9.3
67.05495	13.1
69.03410	25.0
69.07046	19.8
69.53206	1.3
71.01332	3.6
71.04980	2.1
71.93088	1.6
73.02899	62.1
79.05457	11.3
81.07036	37.2
83.08600	11.4
85.02888	18.4
87.04416	2.7
91.05460	11.7
92.09001	2.8
93.07018	38.7
93.58965	1.4
95.04948	3.6
95.08582	76.9
97.02865	26.4
97.10146	3.6
100.38000	1.4
105.07002	29.2
107.08577	58.2
109.06503	3.3
109.09404	1.6
109.10136	47.5
111.08065	15.6
113.68465	1.5
115.03912	23.4
117.07011	2.8
119.08562	56.8
121.10116	64.4
123.11684	24.5
125.09592	1.8
131.08539	11.4
133.04930	18.8
133.09184	2.8
133.10110	56.3
135.11674	38.5
137.13251	8.2
143.08531	9.5
145.10112	25.7
147.08009	1.6
147.11671	34.5
149.13226	24.3
153.09125	6.8
157.10127	7.2
159.11690	19.7
160.47124	1.4
161.13225	21.8
163.07526	3.4
163.14790	9.2
165.09117	1.6
171.11694	6.3
173.13234	13.1
175.14780	31.4
177.09003	5.7
177.16345	33.3
179.10724	1.8
183.11678	1.9
185.13225	5.4
187.14772	20.9
189.14687	1.4
189.16339	42.0
191.17900	15.5
195.17494	2.1
199.14873	6.3
201.16354	30.0
203.17931	49.9
205.15845	37.9
205.19449	3.3
207.17455	6.9
213.16328	13.2
215.17911	40.2
217.19536	3.2
219.17418	1.5
221.19006	6.3
225.16194	2.7
227.17885	1.5
229.16049	1.9
229.19571	2.1
235.16940	6.3
239.17845	2.0
241.19505	3.4
243.21027	5.4
247.16811	14.0
249.18538	6.5
253.25119	1.6
255.21092	2.8
261.18445	19.0
267.20929	1.7
287.20074	2.2
295.24277	2.4
391.33527	10.8
394.28619	2.0
409.34598	35.9
425.34073	9.1
437.34073	100.0
455.35135	31.6
531.01129	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
53.03938	4.0
55.01859	0.5
55.05499	1.0
56.96560	0.2
57.03418	0.6
60.07191	0.2
61.02922	0.4
67.05480	0.6
69.03065	0.4
69.03416	6.7
69.07050	0.6
71.04968	1.4
77.03907	0.5
77.56644	0.2
77.89202	0.2
79.05481	4.5
81.03399	13.1
81.07030	2.6
83.04967	0.4
83.08603	0.2
84.96009	0.2
85.02888	6.2
85.06527	1.4
91.05453	1.6
92.09115	0.5
93.07024	1.7
95.04948	8.4
95.08583	2.1
97.02871	9.3
97.06490	0.4
98.97507	0.4
99.04418	2.2
105.03373	100.0
105.07005	1.9
106.03693	0.3
107.04993	0.3
107.08570	1.7
108.04474	0.5
109.02861	7.7
109.10148	1.6
117.06969	0.3
119.04919	1.0
119.08559	1.6
121.06470	0.3
121.10128	1.2
123.04411	7.5
123.11763	0.4
125.09653	0.4
127.03899	5.4
131.08578	0.2
133.10066	0.5
135.04410	0.5
135.07974	0.4
135.11624	0.3
143.08562	0.4
145.04938	1.8
145.10144	0.5
147.04378	4.2
148.04706	0.5
151.07596	0.3
159.11690	1.0
161.13268	0.3
163.03899	1.6
165.05457	0.3
167.07013	0.3
173.13142	0.3
174.42517	0.3
189.12779	0.3
191.08209	0.6
193.95761	0.3
195.06442	0.4
203.03346	1.6
215.77333	0.3
231.06509	0.6
247.57037	0.2
249.07521	13.5
267.08591	14.0
279.05078	0.3
287.05432	0.6
303.04874	0.4
384.30762	0.3
407.21509	0.3
407.27783	0.3
504.90326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4151
Annotation	3beta,23,28-Trihydroxy-12-oleanene 23-caffeate
Peak:m/z	Relative Intensity
50.36491	3.2
51.71848	3.5
52.98035	3.1
55.05490	18.0
65.30085	3.2
67.05489	19.9
69.07047	23.4
71.93628	3.3
79.05468	16.3
80.42854	3.7
81.07040	36.6
83.08602	16.3
84.97966	3.9
91.05468	8.8
92.08743	8.3
93.07004	40.1
95.04939	6.2
95.08580	79.7
97.10172	4.2
98.20982	3.7
99.08072	6.3
102.02203	3.8
105.07024	43.6
107.04955	53.9
107.08572	71.2
109.10151	73.1
117.06980	4.5
119.08537	97.3
121.10114	79.7
123.11693	27.2
123.41105	3.9
131.08516	20.4
133.10103	100.0
135.11613	31.2
137.13254	6.7
143.08554	7.6
145.10127	40.0
147.11647	55.0
149.05933	4.1
149.13235	23.4
157.10162	5.9
159.11702	31.6
161.13213	18.9
163.14777	44.0
165.70174	4.0
171.11615	5.0
173.13179	8.6
175.14742	20.5
177.16342	9.1
185.13376	4.4
187.14760	24.9
189.16374	53.6
191.17964	6.2
201.16338	43.7
203.17929	49.2
205.15819	4.7
206.16029	3.9
211.60866	3.7
215.17932	23.9
227.17856	5.5
229.15776	6.0
229.19415	5.9
247.16806	14.4
261.18433	6.2
343.26230	5.7
391.33405	9.0
397.31021	6.9
409.34494	28.4
437.33969	33.1
455.34943	47.3
535.15472	4.3
621.26624	6.4
621.37921	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	621.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36988	1.1
53.03928	10.2
55.01860	8.6
55.05265	2.1
55.05504	33.6
57.03423	12.3
57.07066	1.6
65.03924	1.8
66.63713	1.3
67.05488	45.9
69.03404	16.0
69.07056	12.4
70.66638	1.2
71.04956	9.1
77.98428	1.5
79.05467	43.3
81.03394	100.0
81.07034	54.1
83.04971	20.6
83.08595	19.2
85.02404	2.4
85.02876	29.3
85.06523	1.9
86.79741	1.7
90.99780	1.6
91.05450	52.4
92.09060	9.6
93.07024	34.6
95.04942	46.9
95.08566	24.2
97.02868	16.8
97.06493	6.6
97.10144	9.6
99.04419	3.8
102.66523	1.5
103.05438	6.1
105.03362	25.2
105.04482	1.7
105.07014	36.8
107.04940	16.5
107.08580	17.2
109.02863	20.2
109.06497	12.1
109.10146	10.5
111.04431	9.2
111.08055	10.9
115.05465	3.5
117.06966	11.4
119.04909	6.1
119.08553	23.8
121.02902	1.7
121.06453	8.4
121.10118	15.1
123.04391	8.7
123.08052	2.9
123.11695	3.3
125.09624	6.6
127.03864	9.0
128.06242	3.5
129.06976	22.7
131.04877	6.9
131.08536	20.6
133.06471	9.9
133.10080	16.4
135.04408	3.4
135.08020	3.5
135.11658	3.0
137.09590	1.9
141.07007	2.2
142.07768	5.6
143.08539	6.7
145.06477	9.1
145.10083	9.6
147.04366	9.7
147.07986	7.7
147.11638	20.0
149.05937	3.2
149.09583	7.7
149.13257	2.0
151.03967	1.5
155.08487	6.6
157.06468	2.4
157.10051	13.8
159.04442	1.5
159.11662	2.4
161.05942	2.8
161.09525	3.1
161.13062	1.5
163.03865	3.4
163.11127	8.4
165.09056	6.9
165.12642	1.9
167.08476	3.0
171.08076	1.7
171.11646	2.6
173.04474	3.2
173.09531	3.6
175.11133	12.3
177.05515	1.7
185.09601	1.5
185.13190	2.3
187.07634	1.8
189.05504	2.4
191.08612	1.9
191.10626	2.3
193.12183	20.7
211.11296	2.2
211.13246	20.9
227.12576	2.0
267.08627	3.1
267.15903	12.2
273.14816	7.1
285.16867	7.5
289.14194	2.1
301.14221	9.8
309.40555	1.7
319.15262	2.5
337.16507	1.8
366.62656	1.9
375.17874	2.2
385.23413	1.5
393.18964	2.0
406.63217	1.6
411.19986	2.2
420.04791	2.0
459.27115	7.8
477.28125	7.3
567.28973	2.2
585.30396	8.4
603.31372	14.0
608.36334	1.6
621.32690	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	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
56.61419	0.5
57.48623	0.4
58.02901	0.5
76.63703	0.5
78.88285	0.5
92.08788	2.8
92.09403	0.8
95.33546	0.5
105.32406	0.6
108.37196	0.5
256.79391	0.8
375.15884	1.1
387.16171	1.1
388.17160	2.2
389.17487	5.5
390.18338	1.0
401.17694	1.1
402.18564	2.7
403.19016	6.3
404.19904	4.8
405.20917	1.3
415.19504	1.2
416.15924	0.8
417.16800	3.3
417.20801	3.9
419.22238	8.5
420.23041	0.6
429.21140	1.1
430.17224	0.7
431.17844	6.3
432.23618	0.7
445.20547	6.8
446.20703	3.8
447.21786	7.7
459.17239	5.4
460.18469	0.8
461.19736	2.9
473.19232	1.9
474.20300	9.8
475.21185	19.2
487.21466	4.7
488.22296	0.9
501.22812	3.4
505.25775	1.2
519.19745	0.8
529.21997	1.0
533.25446	9.2
546.21857	0.8
561.24860	52.6
589.24384	3.4
593.27551	0.9
620.42365	0.7
621.26953	100.0
622.26837	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98988	0.7
90.28725	0.7
92.09158	6.4
112.18602	0.7
127.64660	0.7
148.34024	0.7
152.28549	0.9
171.88408	0.8
221.10641	0.9
222.08936	0.8
375.74457	0.9
387.15909	1.3
388.16998	0.8
389.17654	6.1
401.17670	1.5
402.18668	1.6
403.19363	7.1
404.19998	4.6
405.20639	3.6
415.19516	1.3
416.15747	1.4
417.16821	4.7
417.21707	6.2
419.22195	12.8
420.22598	1.1
431.17966	11.2
432.19006	1.5
433.19907	1.0
443.18951	1.2
445.20074	8.9
446.21066	6.0
447.21701	15.4
458.20679	1.0
459.17264	2.3
459.22571	2.4
460.22839	0.9
473.18976	1.1
474.20407	15.0
475.21219	20.0
487.21375	5.2
488.22064	1.2
501.22842	1.6
533.25464	14.5
546.21838	0.9
561.24884	87.6
562.25110	1.6
589.24542	1.5
593.27655	3.5
621.26978	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	621.2701
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
67.78692	0.3
82.28946	0.3
84.29081	0.3
92.09178	2.1
181.59053	0.3
283.24329	0.4
374.15039	0.5
375.16302	0.6
387.16046	0.5
388.16754	0.6
389.17636	2.7
390.18204	1.5
401.17871	0.6
402.18643	1.1
403.19293	5.4
404.20120	2.8
405.20804	2.8
415.19379	0.7
416.15897	0.8
416.20752	0.5
417.16071	4.5
417.20987	3.3
418.21561	0.8
419.22308	8.6
420.22821	0.5
429.16800	0.5
430.17374	1.2
431.18030	9.3
431.23798	0.6
432.19006	2.9
433.20154	2.1
443.18442	0.5
444.19327	0.8
445.19901	6.5
446.20801	8.7
447.21774	10.5
459.17645	1.8
459.22137	2.4
460.18225	0.6
461.19769	0.7
473.19522	1.8
474.20169	6.6
475.21234	7.5
478.23618	0.8
487.21390	4.3
488.21796	0.6
491.20313	0.7
501.22678	1.8
505.25589	1.7
506.23029	0.5
518.22992	0.5
519.19604	0.5
533.25409	17.8
561.15948	0.7
561.24878	23.1
562.25562	0.5
589.24451	0.6
593.27319	3.9
620.26288	0.6
621.26965	100.0
622.27472	1.5
630.99774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	2.8
53.03936	17.6
55.01864	31.2
55.05511	24.7
57.03421	10.4
57.07069	4.2
61.02913	2.7
61.24245	1.6
65.03924	3.9
67.05490	82.2
69.03413	56.2
69.07055	23.5
71.04967	18.1
71.78824	1.6
73.02893	15.4
79.05474	57.4
81.03403	67.0
81.07040	91.9
83.04980	4.2
83.08609	8.5
85.02893	31.3
85.06483	2.3
87.04462	2.4
91.05460	41.6
93.07024	74.4
95.04938	20.2
95.08582	82.4
97.02872	50.7
97.06527	2.0
97.10154	9.7
99.04436	100.0
101.02370	4.1
105.07016	41.3
107.04944	49.2
107.08575	60.1
108.05294	3.6
109.02869	49.1
109.10137	45.7
111.04404	6.8
117.07002	9.3
119.04917	24.7
119.08567	50.9
120.05240	2.2
120.08953	2.5
121.06460	6.8
121.10114	50.9
123.04402	59.5
123.08022	2.3
123.11674	14.3
124.04741	8.7
127.03897	98.0
129.06941	2.0
131.08537	22.5
133.10114	43.7
135.11670	33.1
137.13222	3.5
143.08562	7.4
145.04964	14.2
145.10101	25.8
147.04395	79.9
147.11668	27.1
148.04742	10.9
148.11952	2.5
149.09592	2.8
149.13211	16.9
151.11128	2.3
153.09154	2.5
157.10085	7.8
159.11658	21.0
161.13231	19.1
163.14771	13.3
163.48480	1.9
165.05464	15.4
171.11661	2.6
173.13223	14.5
173.14693	1.9
174.13702	1.9
175.14796	15.1
176.15211	2.2
177.16396	11.1
185.13258	3.1
187.14740	20.2
188.15135	3.0
189.16342	17.1
190.16669	4.3
191.18002	7.5
199.14850	3.9
201.16357	22.3
202.16794	4.2
203.17999	13.6
204.18245	2.6
205.15860	3.8
213.16371	10.5
215.14423	2.2
215.17909	3.5
219.17433	3.4
241.19368	2.6
243.21101	8.2
259.20575	3.5
261.22058	19.4
277.21637	7.9
279.23187	4.4
364.35968	2.0
369.23990	7.9
387.25110	2.5
391.33444	2.1
405.26309	8.0
407.33298	7.3
409.34494	3.6
410.35086	3.3
423.27347	69.5
435.32108	3.6
470.78043	1.9
526.96179	2.1
528.75671	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99889	0.5
53.00303	0.6
53.03938	5.8
53.94158	0.6
55.01855	1.4
61.02903	7.5
65.03925	1.2
67.05486	1.5
70.06560	0.8
79.05461	2.7
81.03371	1.2
85.02881	4.2
91.05466	6.2
92.09042	1.4
93.06999	0.7
95.04943	77.3
97.02872	0.7
97.84239	0.6
103.05459	6.0
105.04489	2.8
107.04935	6.0
108.02048	1.4
109.06496	1.3
111.04391	0.9
119.04263	0.7
119.04925	9.5
121.06433	2.7
123.04400	100.0
124.05183	1.1
127.03840	0.8
131.04900	22.4
133.02818	13.8
133.06467	1.3
135.04347	3.3
137.05956	13.0
139.07535	2.8
140.04649	27.4
147.04388	10.5
149.05933	4.2
151.03891	1.0
151.07506	4.4
155.07001	48.9
161.05919	1.5
163.03850	3.4
163.07501	9.6
165.05412	5.2
167.06999	60.8
177.05492	4.8
179.07018	13.2
179.08481	1.2
183.06487	74.9
193.04845	3.0
193.08586	1.1
195.06494	15.1
205.08488	1.5
207.06503	3.8
209.08086	1.6
223.09538	0.8
225.07539	33.6
227.09129	1.2
233.08073	1.5
243.08571	9.1
355.11536	2.5
357.13278	1.4
359.15378	0.7
373.12650	3.5
375.14294	2.9
383.91150	0.7
387.14120	0.8
593.39410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91693	0.7
53.35767	0.7
55.05500	3.2
55.86290	0.6
56.69265	0.7
57.03433	1.1
57.07067	1.0
67.05489	1.7
68.09470	0.8
69.07053	1.7
71.04999	0.7
73.06937	0.8
79.05477	1.3
81.07027	5.7
83.08622	1.1
87.04452	1.8
91.05466	1.5
92.09011	7.6
93.07046	4.2
95.08592	4.9
105.07016	1.6
105.12695	0.9
107.08582	1.8
109.10184	1.2
119.08590	1.5
133.10158	1.8
145.10068	1.3
147.11766	0.9
151.54210	0.8
155.62640	0.8
156.58527	0.8
283.15082	13.8
339.17828	6.3
474.12207	0.8
619.41724	100.0
620.41382	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	619.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
53.87672	1.0
55.05494	8.8
56.84177	1.0
57.07060	2.6
63.37655	1.1
65.73137	0.9
67.04225	1.2
67.05491	14.3
69.07053	16.3
71.04965	1.5
71.53122	1.0
77.74116	1.0
79.05466	10.5
80.15591	1.2
81.07043	32.2
83.08597	9.8
84.74691	1.1
91.05457	21.0
93.07020	26.7
95.04941	21.2
95.08587	43.1
103.05438	1.3
105.07014	23.1
107.04939	28.6
107.08574	43.0
109.06507	2.3
109.10155	23.2
117.07028	2.5
119.04919	26.7
119.08568	27.4
120.74058	1.1
121.06482	2.8
121.10121	33.3
122.06739	1.2
123.04403	85.1
123.11669	10.3
129.06990	1.6
131.08539	13.0
131.09441	1.6
133.10106	21.5
135.11671	21.4
137.13225	9.6
143.08568	4.7
144.09332	1.2
145.10107	17.7
147.04387	100.0
147.11687	15.1
149.02315	2.0
149.13245	16.5
151.14793	2.4
157.10121	7.9
159.11687	10.3
161.13248	8.6
163.14821	4.6
165.05441	35.5
171.11671	7.0
173.13216	8.4
175.14801	10.8
177.16348	18.5
183.11705	1.8
185.13248	7.1
187.14816	9.8
189.16347	9.1
191.17891	2.4
193.15828	1.4
197.51144	1.5
199.14828	8.2
201.16359	14.5
203.17905	16.9
213.16383	10.0
215.17882	11.3
219.17455	1.6
239.17978	1.7
241.19485	7.5
251.05438	1.4
259.16943	2.6
299.19894	1.3
391.33737	5.0
407.32904	10.0
409.34738	4.9
411.32446	2.6
435.32532	2.5
437.34082	16.8
455.34683	1.9
592.59967	1.4
619.30511	1.2
619.38062	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3991
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
53.03937	0.8
53.32326	0.4
55.05510	4.8
57.07057	3.0
65.03935	0.7
67.05492	7.3
69.06767	0.5
69.07055	7.9
71.08621	0.6
72.67708	0.5
73.02896	0.7
79.05485	3.6
81.07035	13.6
83.08604	6.9
86.94592	0.5
91.05463	16.6
92.08778	0.6
92.09264	0.7
93.06483	0.7
93.07023	11.6
95.04950	8.4
95.08585	24.0
97.10163	1.2
103.05457	0.7
103.55328	0.5
105.07007	17.1
105.07661	1.0
107.04944	14.2
107.08578	23.5
109.10140	16.9
111.08076	0.7
115.05402	0.6
117.06985	2.4
119.04923	30.4
119.08563	33.4
121.06499	1.2
121.10121	23.9
121.10979	1.2
123.04408	48.7
123.08064	0.7
123.11671	10.2
127.43777	0.5
129.07024	0.9
131.08560	6.5
133.10118	27.9
135.08008	0.6
135.11656	11.3
137.13235	2.5
143.08548	3.7
145.10112	16.3
147.04393	100.0
147.11658	14.9
148.04669	0.7
149.09599	0.9
149.13234	7.9
151.07639	0.5
151.11128	0.5
151.14812	0.7
157.10127	3.2
158.10893	0.7
159.11670	13.1
160.12425	0.5
161.13248	9.6
163.11093	0.8
163.14775	9.1
165.05443	19.7
171.11690	2.8
173.13199	7.3
174.13802	0.6
175.14793	12.5
177.09059	0.8
177.16362	9.6
177.77351	0.5
183.11710	1.1
185.13235	3.0
187.14799	9.6
189.16359	17.2
191.17914	5.0
199.14766	2.3
201.16341	18.0
203.17914	16.9
205.15910	4.2
207.17389	2.1
211.14879	0.8
213.16359	6.6
215.17935	19.3
217.19460	1.0
219.17395	2.1
221.18948	1.1
227.18050	0.6
229.19511	2.7
233.15343	0.7
235.16942	2.3
239.18001	0.8
241.19449	0.6
243.20967	0.8
247.16927	3.1
249.18201	0.8
253.19525	1.0
255.21085	1.1
261.18442	5.1
267.21069	0.8
269.22552	0.8
273.18140	0.6
295.24503	0.6
301.21594	1.0
349.28802	0.6
372.19418	0.5
391.33542	4.9
394.28702	0.6
397.30826	0.9
407.32950	5.2
409.34601	10.1
411.32605	2.8
427.35754	0.7
435.32751	2.6
437.34024	12.9
455.35153	4.6
601.38574	0.7
619.38342	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79578	0.3
54.82271	0.3
55.05500	3.4
55.86753	0.3
57.07063	2.8
58.29315	0.3
59.02104	0.4
59.86801	0.3
65.03929	0.5
67.05494	4.6
69.07050	5.3
79.05473	3.1
81.07040	9.4
83.08608	3.4
85.51255	0.3
90.10633	0.4
91.05462	11.2
92.08961	0.6
93.07030	8.7
95.04929	0.7
95.08588	18.4
97.10141	0.9
99.08064	0.4
103.84074	0.4
105.07016	9.5
107.08578	19.2
109.09389	0.5
109.10145	15.3
113.09628	0.3
117.06976	0.8
119.04923	24.2
119.08558	19.1
121.10123	18.6
123.04397	0.4
123.11694	7.7
131.08531	3.6
133.10109	21.0
135.11671	8.3
137.13231	2.4
139.11209	0.7
143.08528	2.0
145.10098	8.8
147.04390	100.0
147.11667	13.2
149.13243	6.5
151.07463	0.4
151.11261	0.5
151.14796	0.6
153.09013	0.6
157.10086	2.0
159.11659	6.6
161.13237	5.8
163.07523	0.7
163.11136	0.6
163.14799	11.7
165.05455	8.5
165.12717	0.8
169.10052	0.5
171.11644	1.5
173.13216	5.0
175.14789	5.4
177.09096	1.5
177.16356	5.9
185.13234	1.8
187.14803	7.4
189.16335	10.2
189.85030	0.4
190.63870	0.4
191.17934	3.5
193.15956	0.4
199.14795	1.6
201.16362	9.5
203.17915	12.2
205.15878	1.4
205.19530	0.4
207.17439	2.0
213.16377	1.9
215.17938	7.1
217.19466	0.7
221.18971	0.8
225.16277	0.4
229.19478	1.9
235.16939	0.8
239.18011	0.5
241.19481	0.5
243.20955	0.5
247.16867	4.3
255.20964	0.8
261.18460	2.1
295.24213	0.8
295.48343	0.3
351.30365	0.9
391.28696	0.4
391.33203	2.9
397.31204	2.6
409.34573	11.0
411.32590	0.5
427.35355	0.9
437.34058	6.9
455.35095	6.6
601.38757	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	619.3996
Annotation	Uncarinic acid E
Peak:m/z	Relative Intensity
50.85318	0.2
54.02765	0.2
55.05502	6.0
57.07061	2.8
57.72583	0.2
65.03925	0.8
67.05489	5.3
69.07052	7.2
71.04946	0.2
71.08624	0.2
74.73252	0.2
77.03106	0.2
78.93440	0.2
79.05463	4.7
81.03387	0.2
81.07035	13.8
83.08596	6.0
85.06523	0.3
87.04443	1.0
91.05460	14.6
93.07021	10.9
95.04949	1.3
95.08580	21.3
97.06491	0.3
97.10152	1.6
98.98435	0.3
99.08013	0.2
105.07011	13.2
106.07324	0.2
107.08574	18.9
109.06496	0.3
109.10135	12.3
111.08057	0.8
111.11694	0.4
113.09571	0.2
117.06998	2.2
119.04917	30.3
119.08555	24.2
121.06442	0.3
121.10120	18.8
123.04391	1.0
123.08037	0.5
123.11673	7.5
125.05939	0.3
125.09601	0.3
129.06938	0.9
131.08537	6.6
133.10101	18.6
134.10464	0.3
135.08055	0.3
135.11665	9.2
137.09584	0.5
137.13206	1.9
143.08549	3.8
144.09293	0.4
145.10100	10.9
147.04385	100.0
147.11661	14.2
148.04726	0.4
149.09576	0.4
149.13237	7.1
151.11165	0.4
152.15222	0.2
153.09116	1.5
155.08456	0.3
156.09280	0.3
157.10062	2.9
158.10876	0.5
159.08080	0.3
159.11655	9.4
160.12375	0.4
161.13217	7.4
163.07475	0.5
163.11165	0.9
163.14795	6.3
165.05435	11.7
165.09076	0.4
165.12637	0.4
169.10089	1.0
170.10904	0.2
171.11641	2.5
172.06970	0.2
172.12440	0.3
173.13235	4.8
174.14006	0.4
175.14778	7.4
177.09102	1.4
177.16348	6.9
179.10678	0.9
181.12138	0.2
182.69078	0.2
183.11600	0.9
185.13184	1.5
186.13838	0.3
187.14789	5.7
189.16345	14.1
191.17903	2.8
197.13240	1.1
199.14844	1.5
201.16350	11.2
201.18192	0.5
203.17918	14.9
205.15756	1.6
205.19499	0.4
207.17410	1.5
211.13084	0.2
213.16296	3.2
215.17908	13.3
217.15773	0.3
217.19505	1.5
219.13939	0.2
219.17543	0.2
221.15335	0.3
221.18773	0.4
225.16385	0.5
227.17928	1.1
229.15805	0.4
229.19467	1.2
231.20972	0.3
235.16841	1.5
239.17989	0.4
241.19360	1.5
242.50435	0.2
243.20999	1.3
247.16878	3.4
249.18437	1.1
253.19424	0.8
255.20992	1.2
259.16785	0.5
261.18430	5.3
267.21051	1.1
269.22696	0.8
283.24271	0.5
287.19916	0.4
295.24167	0.9
298.95950	0.2
299.20068	0.3
310.24551	0.2
313.21631	0.2
321.25842	0.3
329.24722	0.3
335.27426	0.2
353.24530	0.3
355.26364	0.3
381.27899	0.2
383.29416	0.3
391.33542	3.3
394.28543	0.5
397.30762	0.9
409.34619	6.3
411.32330	3.1
412.32709	0.2
437.34027	15.2
455.35104	3.0
521.38086	0.5
539.36877	0.2
588.73962	0.3
601.38989	0.3
619.43768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00056	0.3
53.03936	0.5
55.05497	5.0
57.07070	2.7
65.03923	0.4
67.05492	4.7
69.07056	8.2
71.04967	0.5
71.61108	0.3
79.05472	4.3
81.07036	13.3
83.08603	6.4
87.04435	2.1
91.05465	12.4
91.85379	0.3
92.08737	1.9
92.09364	0.8
93.07025	11.4
95.04944	0.7
95.08589	23.3
97.10164	0.7
105.07014	14.5
106.07339	0.4
107.08582	20.1
109.06444	0.5
109.10147	10.3
111.08077	0.4
117.07006	1.8
119.04922	25.5
119.08562	25.8
121.10123	17.0
123.04403	1.4
123.08037	0.5
123.11690	6.6
129.06987	0.7
131.08546	6.5
133.10107	17.7
135.08154	0.5
135.11673	9.8
137.09587	0.7
137.13229	2.1
143.08510	3.7
145.10107	9.3
147.04390	100.0
147.11662	14.0
148.04758	0.5
149.13226	6.0
153.09079	0.6
155.08495	0.5
157.10124	2.3
158.10858	0.7
159.11667	9.0
161.13217	8.5
163.14792	4.2
165.05443	13.8
165.12766	0.5
169.10045	0.5
171.11618	2.7
172.12376	0.5
173.13208	6.3
175.14786	10.8
177.16359	7.0
182.09511	0.4
183.11725	0.4
185.13248	0.6
187.14786	4.0
189.16350	19.1
191.17903	3.4
193.12201	0.5
196.79094	0.4
197.13271	0.6
199.14774	1.6
201.16357	16.1
203.17924	17.0
205.15817	1.6
207.17441	2.9
211.14822	0.5
213.16365	4.9
215.14597	0.5
215.17917	17.3
217.19530	1.5
225.16431	1.4
227.17960	0.7
229.19489	2.2
235.16847	0.5
239.17924	0.5
241.19473	3.1
243.21039	1.9
247.16913	1.8
249.18501	1.6
253.19426	0.8
255.21030	2.3
257.22748	0.5
259.16949	1.7
261.18396	4.8
267.21027	0.7
269.22461	0.8
277.70688	0.4
323.06784	0.4
359.64386	0.4
391.33582	5.7
409.34601	5.7
411.32507	4.1
437.34082	17.2
455.35040	0.6
508.92029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.05502	5.6
57.07069	3.3
65.03918	0.7
67.05494	6.7
69.07052	8.0
70.49168	0.3
71.08633	0.4
79.05470	4.3
81.06593	0.6
81.07042	14.7
83.04954	0.5
83.08607	5.5
84.30787	0.4
85.06519	0.4
91.05460	16.8
93.07021	13.4
95.04936	0.8
95.08586	22.9
97.09582	0.3
97.10151	2.0
100.32262	0.3
105.07011	14.0
107.08579	22.9
109.06469	0.6
109.10148	13.7
111.08039	0.6
117.07035	1.2
119.04920	34.3
119.08561	24.5
121.10122	21.3
123.04459	0.6
123.07999	0.4
123.11674	6.7
125.09623	0.4
129.07047	0.4
131.08536	6.0
133.10103	21.2
135.07979	0.4
135.11673	11.5
137.09586	0.6
137.13245	5.7
138.31689	0.4
141.07053	0.4
143.08566	2.6
145.10106	9.9
146.10698	0.3
147.04390	100.0
147.11667	13.6
147.12865	0.4
149.13242	7.5
151.14795	1.7
153.09093	0.6
157.10144	2.5
158.10896	0.6
159.11670	8.6
160.12451	0.7
161.13216	8.5
163.07562	0.4
163.11115	0.7
163.14774	7.5
165.05444	7.1
165.12802	0.4
167.08466	0.4
167.10634	0.5
169.10048	1.3
171.11722	2.7
173.13216	5.5
175.11104	0.4
175.14792	10.2
177.09103	1.5
177.16350	8.1
183.11711	0.9
185.13138	3.2
187.14764	7.0
189.16353	11.0
189.17952	0.7
191.10747	0.4
191.17885	2.9
193.12225	0.6
193.15831	0.7
195.17432	0.5
199.14720	2.5
201.16362	9.9
203.17918	14.6
205.15869	1.9
205.19490	0.5
207.17453	0.8
211.14845	0.5
213.16344	3.2
215.14622	0.5
215.17934	10.3
217.19492	2.0
221.15263	0.5
221.18974	0.4
225.16357	1.3
227.17947	0.6
229.15823	0.4
229.19432	0.8
233.15201	0.6
235.16910	0.8
239.17810	0.4
241.19469	1.4
243.20920	0.6
247.16852	2.1
249.18573	0.7
253.19437	0.5
255.20959	0.7
259.16879	0.5
261.18433	3.8
267.21097	0.6
269.22461	0.6
281.22491	0.7
295.24377	0.6
327.23053	0.4
353.24530	0.4
391.33600	3.1
397.31149	3.5
409.34589	5.5
411.32422	3.1
437.34061	14.0
455.35089	6.8
521.38092	0.5
539.87012	0.4
601.38104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3987
Annotation	Uncarinic acid E
Peak:m/z	Relative Intensity
51.73951	0.3
53.03923	0.5
55.05503	6.2
57.07061	3.7
59.18379	0.3
64.33858	0.3
65.03922	1.5
67.05489	7.5
69.06715	0.5
69.07054	10.5
71.08602	0.4
79.05469	6.8
81.07034	19.4
83.04932	0.4
83.08597	8.6
91.05453	17.3
92.09021	2.4
93.07016	17.6
95.04944	2.2
95.08577	36.2
97.10138	1.7
105.07008	18.5
107.08572	25.9
109.06486	0.7
109.10136	16.2
117.06998	2.7
119.04915	33.1
119.08553	32.1
119.09232	0.4
121.06429	0.5
121.10119	25.5
123.04411	1.6
123.08024	0.5
123.11693	6.2
125.09628	0.4
129.06955	1.4
131.08548	7.0
133.10106	21.8
135.11658	16.4
137.13194	5.7
142.07755	0.6
143.08531	4.2
145.10092	12.4
145.11215	0.6
147.04381	100.0
147.11659	17.8
148.04700	0.4
149.09581	0.4
149.13217	10.4
149.14331	0.5
151.11157	0.6
151.14810	0.5
153.09074	1.3
155.08450	0.4
157.10062	3.8
158.10895	1.3
159.11676	10.9
160.12383	0.8
161.13219	11.7
163.11096	0.5
163.14772	5.3
165.05423	12.5
165.12727	1.4
167.10710	0.5
169.10130	1.4
170.10773	0.4
171.11639	4.5
173.13216	6.0
175.14778	10.7
177.16328	10.7
179.10733	0.3
183.11583	0.8
185.13196	2.5
187.14766	6.0
189.16338	24.2
191.17926	4.2
193.15793	0.4
197.13179	0.8
199.14775	3.9
201.16331	17.9
203.17914	25.0
205.15878	2.1
205.19508	0.4
207.13820	0.3
207.17422	4.1
209.13217	0.3
211.14793	0.7
213.16319	8.2
215.17896	14.2
217.19424	1.5
219.17459	0.4
221.15266	0.5
221.18973	0.4
223.14635	0.5
225.16373	0.6
227.17937	0.7
229.19455	1.7
231.17245	0.4
235.16922	1.3
239.17882	1.3
241.19418	3.9
243.21056	2.4
247.16846	1.5
249.18443	1.4
253.19550	1.2
255.21037	2.0
257.22598	0.5
259.16864	2.2
261.18399	2.9
267.21005	1.7
269.22522	0.6
281.22504	0.6
285.18323	0.5
287.19839	0.6
294.61780	0.4
295.24271	0.5
299.19885	0.7
327.23276	0.5
349.28967	0.3
355.77246	0.4
365.31747	0.5
381.27496	0.6
383.29211	0.5
391.33432	5.9
409.34464	7.9
411.32336	4.9
411.86868	0.4
437.34036	24.7
441.53241	0.4
455.35074	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80967	0.2
55.05301	0.2
55.05505	3.6
57.03442	0.3
57.06824	0.2
57.07072	3.0
64.33351	0.3
65.03918	1.2
67.05493	3.8
69.07051	5.4
79.05473	3.8
80.27633	0.3
81.07037	9.7
83.08598	3.7
85.06516	0.3
87.04462	0.6
91.05458	18.4
92.08899	0.5
93.07021	8.0
95.04942	0.5
95.08584	18.0
97.10150	1.5
99.08077	0.3
105.07016	10.8
107.08572	19.7
109.06487	0.4
109.10136	14.1
111.11692	0.3
117.07001	1.2
119.04919	40.2
119.08559	18.7
121.06463	0.2
121.10120	19.0
123.04400	1.2
123.08047	0.9
123.11678	6.3
125.09621	0.3
129.06892	0.3
131.08540	4.1
133.10106	19.4
135.11667	7.4
137.09587	1.0
137.13226	2.7
143.08551	1.7
144.09299	0.3
145.10097	8.8
146.10754	0.3
147.04388	100.0
147.11661	11.7
148.04720	0.4
149.13232	8.9
151.14789	0.5
153.09097	1.1
157.10146	1.9
158.10909	0.4
159.11656	6.6
160.79607	0.3
161.13223	6.3
163.07524	0.4
163.11160	1.3
163.14772	9.2
165.05450	4.1
165.12694	0.5
171.11644	1.7
172.12369	0.4
173.13240	3.2
175.14771	4.8
177.09053	1.4
177.16347	5.1
185.13232	1.6
187.14771	7.2
189.16341	9.8
191.10591	0.3
191.17914	2.9
193.15831	0.4
199.14772	1.6
201.16362	9.1
203.17928	10.3
205.15836	3.0
205.19545	0.3
207.17392	2.5
211.14780	0.6
213.16348	1.6
215.17918	5.6
217.19504	1.1
219.17316	0.6
221.18994	1.2
225.16261	0.5
227.17944	1.0
229.19455	1.4
233.15404	0.4
235.16951	1.1
241.19467	0.4
247.16920	3.3
249.18394	0.3
253.19543	0.4
255.20854	0.4
259.20755	0.3
261.18433	2.3
267.21100	0.4
281.22690	0.6
283.24237	0.3
295.24142	0.5
304.15747	0.3
313.25272	1.1
329.24908	0.4
351.30270	1.0
391.33517	1.9
397.30795	1.9
409.34531	8.3
427.35394	0.5
437.34045	5.9
455.35086	6.2
601.38287	0.5
613.14838	0.3
619.37128	0.3
646.37640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.0
57.07065	4.9
59.55478	1.0
62.99468	0.9
62.99881	0.9
65.03909	1.1
67.05486	10.3
69.07050	9.4
79.05472	7.8
81.07035	19.4
82.40426	1.2
83.08615	8.9
91.05457	21.0
92.08937	6.5
92.64251	1.3
93.07008	17.4
95.04941	23.6
95.08581	35.0
105.07008	24.4
107.04935	73.7
107.08572	39.0
109.10133	26.0
111.08035	2.2
117.07021	1.8
119.04910	35.4
119.08549	37.4
121.06500	8.6
121.10108	28.2
123.04399	83.1
123.11674	8.8
125.09611	2.1
129.07024	1.9
131.08533	9.6
133.10109	37.8
135.11668	12.8
137.13203	2.7
143.08534	5.5
144.09290	1.8
145.10083	24.5
147.04388	100.0
147.11671	22.0
149.13223	14.7
151.11203	1.5
151.14737	1.6
157.10104	6.6
158.10669	1.1
159.11652	17.3
161.13214	12.7
163.07536	1.3
163.14809	13.1
165.05426	16.0
165.12793	1.3
169.10182	1.8
171.11668	7.1
173.13249	10.3
175.14795	14.8
177.09116	1.4
177.16310	10.9
183.11667	1.5
185.13202	2.0
187.14786	22.1
189.16357	20.9
191.17960	6.1
193.15915	1.4
199.14824	5.0
201.16351	22.6
203.17903	15.7
205.15796	5.3
207.17332	1.5
211.14764	1.2
213.16377	7.2
215.14330	1.3
215.17912	13.8
219.17409	7.6
227.17834	1.2
229.19534	4.2
233.15526	1.2
239.18062	1.5
247.16908	4.9
261.18423	2.8
313.25113	1.2
389.31982	1.5
391.33328	2.3
397.30963	1.8
407.33136	11.4
409.34460	8.5
435.32507	7.5
437.34018	5.6
455.34717	2.8
619.37402	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
54.47737	0.6
55.01863	3.1
55.05511	8.5
57.07053	3.5
57.45317	0.7
60.62931	0.7
61.41424	0.6
67.05489	14.1
69.03413	4.3
69.07048	12.0
71.04980	1.9
73.02877	0.8
73.44670	0.6
79.05472	11.6
81.03407	5.6
81.07034	24.2
83.04980	1.8
83.08604	8.3
84.49285	0.8
85.02875	1.1
85.06522	0.8
91.05457	18.3
93.07021	21.5
95.04950	16.9
95.08585	37.0
97.02869	5.2
97.06503	0.7
97.10163	1.7
99.04432	8.9
99.08066	0.8
102.65562	0.7
103.05408	1.3
103.34646	0.7
105.07010	22.5
107.04937	65.4
107.08572	33.2
109.02864	4.4
109.06486	1.4
109.10138	32.1
111.04514	0.8
111.08038	1.6
117.06985	3.3
119.04916	34.1
119.08549	39.0
121.06498	7.4
121.10119	32.3
121.10986	1.6
123.04402	74.7
123.08051	1.1
123.11674	8.3
125.09621	1.9
127.03899	10.5
129.06987	1.8
131.08556	13.1
133.10101	39.7
135.11668	17.2
135.60934	0.7
137.13245	1.9
143.08539	6.3
145.04955	1.1
145.10098	23.3
146.25803	0.9
147.04387	100.0
147.11667	19.5
149.09578	1.1
149.13240	11.0
151.11195	1.7
151.14813	0.8
153.09106	1.4
155.08562	1.0
157.10080	5.8
158.10907	1.1
159.11653	19.2
161.13200	14.2
163.11183	4.8
163.14786	15.9
165.05409	18.0
165.12689	1.2
169.10086	1.0
171.11694	4.9
172.12480	1.5
173.13206	12.3
175.14777	18.2
177.16354	13.6
185.13222	1.4
187.14763	24.7
189.16360	28.2
191.14249	0.9
191.17868	8.4
199.14778	9.0
201.16357	26.6
201.18199	1.4
203.17944	17.3
205.15889	4.8
207.17459	1.6
213.16327	19.3
215.14366	1.7
215.17880	13.9
217.15845	1.6
219.17374	5.2
221.19069	0.9
227.17892	1.3
229.19527	1.4
231.17345	1.0
233.18854	1.5
241.19550	3.5
243.21097	1.4
247.16948	3.2
255.21075	1.3
259.20587	1.4
261.18530	3.1
261.22192	1.3
267.20920	1.5
269.22458	1.0
323.96793	0.8
351.30276	1.1
389.32190	1.4
391.33594	1.4
397.30798	1.0
407.32993	10.3
409.34473	10.1
423.27322	6.0
427.35910	1.0
427.44485	0.8
435.32587	5.1
437.34003	4.4
453.33517	1.4
455.34930	3.4
583.12036	0.9
601.38843	1.1
619.38025	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	619.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.05505	7.4
57.07066	5.2
65.03914	0.8
67.05488	8.9
69.07047	9.1
71.04974	0.7
79.05469	6.6
81.03394	0.5
81.07030	18.4
83.08594	6.8
85.06516	0.6
91.05453	20.2
92.08746	0.8
92.09213	0.9
93.07013	20.2
93.47032	0.6
95.04939	20.8
95.08577	34.6
95.20407	0.6
96.86319	0.6
97.06514	1.4
97.10151	1.3
99.08058	1.3
101.74991	0.5
103.05435	1.2
105.07001	19.8
107.04932	62.7
107.08569	30.5
107.20681	0.5
109.06477	1.0
109.10133	25.9
111.08024	1.3
117.06998	3.3
119.04914	33.3
119.08548	43.4
121.06483	6.7
121.10111	30.6
123.04398	82.0
123.08014	2.9
123.11659	9.6
125.09567	1.2
125.39159	0.6
129.06944	1.2
130.07735	0.5
131.08542	11.5
133.10100	40.7
135.08037	0.8
135.11652	15.4
137.09596	1.2
137.13210	3.9
143.08548	6.8
145.10098	22.8
147.04381	100.0
147.11653	23.2
149.09590	2.9
149.12119	0.9
149.13231	12.5
151.11134	1.1
151.14804	1.1
153.09109	2.6
155.08476	0.7
156.09361	1.2
157.10077	6.1
158.10910	1.3
159.11646	21.5
161.13206	14.5
163.07469	0.8
163.11153	2.5
163.14777	14.0
165.05432	15.0
165.12708	1.2
169.10081	1.2
169.11429	0.7
171.11653	4.1
173.13203	12.7
175.14763	18.9
177.09000	3.9
177.16310	10.3
183.11653	1.2
185.13194	3.7
187.14767	22.1
189.16324	19.2
191.10660	0.6
191.17961	5.0
193.15913	0.7
197.13258	1.0
199.14804	6.2
201.16351	22.5
203.14439	0.5
203.17931	14.8
205.15790	4.8
207.17390	1.1
211.14821	1.1
213.16341	10.5
215.14420	1.1
215.17911	15.7
217.15808	1.3
217.19543	1.2
219.17343	6.1
221.18895	1.1
225.16518	0.7
227.17979	2.1
229.15918	0.9
229.19493	3.9
231.17400	0.9
233.18950	1.3
235.16878	2.8
237.16246	0.7
239.17990	0.8
241.19438	2.9
247.16847	6.8
249.18343	0.8
253.19368	1.0
255.21109	2.3
261.18430	2.9
267.20941	1.2
269.22491	0.8
295.24033	1.1
313.25262	0.6
329.24683	0.8
341.24899	0.7
351.30472	1.2
389.32132	1.4
391.33301	2.4
397.30939	1.0
407.32922	11.9
409.34497	8.4
435.32532	7.4
437.33911	6.3
453.33438	1.1
455.34955	3.7
488.35660	0.6
594.49384	0.8
601.38727	1.3
619.37305	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	618.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.6
55.01847	2.2
55.05501	44.1
57.07065	12.0
59.04974	3.5
59.25977	1.1
59.44411	1.4
60.24666	1.3
67.05489	24.6
69.03406	12.8
69.07054	12.9
71.04955	3.5
79.05468	30.6
81.03378	3.0
81.07033	40.9
83.04974	9.9
83.08600	38.7
85.06524	6.2
85.53937	1.3
87.04453	16.3
91.05452	35.6
92.06266	1.6
92.08768	9.5
92.09384	3.2
93.07018	51.6
95.04944	27.1
95.08570	29.2
97.06489	10.1
97.10147	1.4
99.04372	2.1
100.66203	1.3
103.05451	1.9
105.07005	74.9
107.04863	2.3
107.08574	46.5
109.06487	20.3
109.10107	10.8
111.08112	2.1
113.09573	2.7
115.05410	2.6
117.07001	19.2
119.04941	2.0
119.08551	70.4
120.09348	2.2
121.06481	10.8
121.10114	26.8
122.07219	1.7
122.22660	1.5
123.08035	22.2
123.11637	3.0
125.05945	2.8
125.09605	6.7
128.06192	8.8
129.06976	16.1
130.07727	6.9
131.08546	40.2
132.09328	3.0
133.06476	5.7
133.10095	35.4
135.08005	15.1
135.11649	8.2
137.09575	13.7
139.11104	6.1
141.06956	7.2
142.07736	19.7
143.08542	39.6
144.09346	12.3
145.06453	7.0
145.10092	61.2
147.08029	28.5
147.11653	10.6
149.09593	16.0
151.07484	8.2
154.07674	2.4
155.08539	13.0
155.10609	2.0
156.09308	11.2
157.10092	50.3
158.10847	8.0
159.08022	10.6
159.11635	29.0
160.08792	10.5
161.09557	11.4
161.13220	6.1
163.11081	13.4
165.06964	1.7
165.09061	32.9
167.08514	6.6
167.10675	1.6
168.09302	3.3
169.10031	19.5
170.10912	5.6
171.11629	26.8
172.12347	5.4
173.09573	7.4
173.13219	12.5
174.10307	2.1
175.11118	16.5
179.08508	3.1
180.09303	2.1
181.10150	11.0
181.12184	11.9
182.10864	7.9
183.11632	18.1
185.09550	5.4
185.13216	8.4
187.11110	9.2
187.12674	1.5
187.14758	3.1
189.12663	6.1
190.13455	2.9
191.10689	2.2
191.14253	2.8
192.09258	1.4
193.10184	5.2
193.12184	5.6
194.10835	5.7
195.11618	14.9
196.12434	2.6
197.09431	1.6
197.13214	15.3
198.13828	2.1
199.11125	7.2
199.14651	3.4
201.12653	2.6
203.14307	14.8
206.10857	2.2
207.11794	2.9
207.13785	10.0
208.12473	1.9
208.14575	7.6
209.13239	9.8
209.15189	2.4
211.11121	2.8
211.14809	7.8
213.12709	7.0
219.11717	2.9
219.13721	3.3
220.95471	1.5
221.13205	4.3
221.15259	35.4
223.14685	11.1
225.12778	2.4
225.14807	8.0
227.18004	2.4
229.15947	1.8
231.13776	2.7
233.15320	11.2
234.16086	8.4
235.14757	2.1
237.12682	2.4
237.16261	3.4
239.17757	2.0
240.29807	1.5
241.15704	1.9
243.13698	2.0
246.13846	1.6
247.16901	3.0
249.16360	2.1
251.14272	1.7
251.84618	1.6
259.17001	1.8
263.14194	1.7
269.18933	1.8
271.16943	5.9
274.19122	2.3
279.17413	1.9
281.18951	1.6
285.18484	2.3
286.19226	5.6
287.19980	39.4
299.20090	12.5
303.19400	2.2
312.20856	5.4
313.21594	2.4
325.21564	11.8
337.21475	6.6
339.23160	3.3
352.23871	50.5
353.24442	1.8
365.24530	10.6
381.67258	1.5
395.25668	3.3
438.31070	2.6
472.31888	3.3
525.35474	8.6
538.36407	100.0
547.60443	1.6
600.40656	2.3
617.41913	1.7
618.41901	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	618.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01871	4.1
55.05500	58.3
57.07057	16.8
62.56958	3.3
67.05489	31.8
67.58454	3.1
69.03428	4.9
69.07045	21.5
71.04977	16.8
76.56706	4.0
79.05473	40.0
81.07043	59.7
83.04965	9.4
83.08622	49.2
85.06533	8.6
87.04456	37.5
91.05464	55.9
92.08710	9.0
92.09269	9.3
92.50109	3.7
93.07017	68.9
95.04944	28.0
95.08573	41.6
97.06529	9.5
105.07012	100.0
106.07339	4.8
107.08581	70.7
109.06494	24.0
109.10135	33.8
111.08048	5.2
113.09592	4.5
116.74223	3.8
117.06989	29.2
119.08570	77.4
121.06548	12.8
121.10125	44.3
123.08042	31.2
123.11736	5.3
125.06020	4.0
125.09606	17.3
128.06221	3.8
129.06975	23.8
130.07735	5.7
131.08542	45.3
133.10092	37.3
135.11751	5.2
137.09634	5.3
138.80899	4.5
139.11177	4.5
141.07018	8.8
142.07758	28.2
143.08546	43.2
144.09277	8.1
145.06392	7.2
145.10107	60.2
147.04385	5.1
147.07993	4.7
147.11685	25.1
149.09540	5.3
155.08568	19.3
155.10678	8.9
156.09320	21.0
157.10098	55.0
158.10802	7.5
159.08023	5.6
159.11662	37.6
160.08839	5.9
161.09590	6.3
161.13168	7.3
163.11153	7.2
167.08554	8.1
168.09279	5.1
169.10107	31.0
170.10890	7.6
171.11685	35.3
173.13217	10.3
175.11157	5.4
179.14317	5.7
181.10078	15.5
181.12222	12.3
182.10847	7.1
183.11661	21.9
185.13232	8.5
187.11107	5.8
193.10136	14.4
194.10776	9.6
195.11642	15.7
197.13229	18.4
207.11667	6.6
209.13268	19.1
210.13956	5.1
211.14661	8.4
221.13193	4.2
221.15323	7.0
223.14796	6.6
224.11630	5.2
225.14806	10.3
233.13127	5.8
233.15274	6.9
237.16232	7.0
239.57169	4.3
275.17740	4.7
296.90164	4.3
306.15112	4.6
426.93192	4.5
600.41827	5.2
618.41998	23.3
625.70361	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	618.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01857	1.9
55.05506	48.2
56.98842	2.0
57.03440	2.3
57.07056	13.6
59.04995	2.6
65.03910	2.6
67.05488	30.9
69.03419	15.1
69.07044	14.0
71.04983	4.5
79.05486	32.5
80.39430	2.0
81.07037	52.8
83.04968	16.2
83.08601	46.7
85.06549	5.2
87.04435	3.0
91.05464	45.8
92.09010	16.9
93.07025	69.7
95.04956	30.2
95.08584	46.6
97.06520	18.7
97.10126	2.5
99.04394	8.0
103.05428	5.0
105.06364	4.5
105.07018	100.0
107.04919	3.6
107.08575	69.4
109.06512	19.6
109.10137	19.6
111.08087	2.8
113.09669	2.7
115.05406	3.9
117.06994	30.4
119.08557	98.7
120.09372	3.9
121.06490	12.0
121.10149	38.6
123.08038	31.2
123.11624	3.2
125.05943	5.2
125.09598	10.8
128.06203	10.0
129.06956	19.4
130.07774	10.9
131.08545	46.8
133.06499	3.5
133.10120	45.4
135.08029	18.0
135.11662	11.5
137.06009	2.3
137.09636	14.1
139.11143	4.5
141.06943	8.4
142.07776	21.5
143.08545	47.4
144.09314	15.4
145.06458	9.9
145.10109	74.0
147.04405	11.1
147.08032	27.3
147.11687	14.8
149.09628	11.4
151.07542	14.8
151.11177	2.7
155.08524	22.6
155.10612	4.5
156.09344	14.2
157.10112	58.8
158.10866	12.5
159.08046	9.0
159.11673	35.5
160.08826	13.2
160.35706	2.4
161.09579	12.6
161.13286	11.0
163.11156	14.4
165.06960	4.4
165.09096	25.2
167.08519	10.0
167.10658	4.1
168.09225	3.9
169.10110	33.2
170.10896	12.8
171.11644	35.5
172.12355	4.8
173.09578	4.7
173.13266	12.5
175.11139	17.5
175.14775	3.6
179.08525	3.8
181.10098	18.2
181.12189	13.6
182.10878	9.7
183.11646	22.9
185.13258	13.7
187.11171	9.6
187.14810	4.0
189.12758	7.6
191.14394	4.1
192.09375	2.7
193.10155	11.3
193.12285	12.2
194.10973	5.1
195.11642	24.4
197.09633	2.7
197.13232	22.2
199.11180	4.7
199.14850	10.7
201.12613	2.5
201.16525	2.8
203.14185	17.9
203.18025	2.8
206.10982	4.6
207.11725	13.9
207.13800	8.6
208.12407	3.1
208.14566	4.2
209.13239	20.7
211.11179	4.6
211.14809	15.9
213.12769	9.2
213.16302	2.8
215.14252	3.0
219.13791	4.4
221.13269	8.9
221.15268	43.3
223.14861	10.1
225.12718	3.1
225.14778	11.3
229.15930	3.7
231.13809	3.6
233.13228	3.8
233.15379	9.7
234.16093	4.9
237.12747	3.8
237.16396	4.9
247.14674	3.4
247.16840	7.8
249.16420	3.3
263.17847	3.5
267.20691	2.9
269.18817	2.9
286.19153	9.3
287.20026	33.3
299.19849	2.5
313.21628	3.4
319.20682	2.7
325.21567	5.3
337.21326	4.7
337.25189	2.9
352.23926	48.1
365.24768	3.6
395.25473	3.5
472.31674	3.1
525.35809	8.3
538.36499	92.2
618.42273	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	618.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27722	2.7
50.67265	3.3
51.35896	2.4
51.68054	2.4
55.05501	31.7
57.07055	21.8
57.07298	3.5
64.33222	4.2
66.20441	2.5
67.05482	22.6
69.03407	6.4
69.07047	16.0
76.93960	2.9
79.05463	31.8
79.21323	3.2
81.07026	35.3
83.04966	16.7
83.08609	26.0
85.06558	10.1
87.04462	43.7
91.05463	49.7
93.07026	56.4
95.04938	21.5
95.08579	32.3
97.06517	12.8
104.56329	3.5
105.07006	65.6
107.08578	50.6
109.06489	16.7
109.10133	15.6
113.09597	3.8
117.06990	18.7
119.04945	3.9
119.08541	70.8
120.08892	3.2
121.06446	7.3
121.10160	31.9
123.08028	20.1
125.06028	3.5
125.09566	4.1
128.34637	3.7
128.89603	3.4
129.06950	12.9
130.07704	4.6
131.08546	41.7
133.10092	36.4
135.08023	13.5
135.11653	5.8
137.05875	3.0
137.09538	7.3
141.07021	4.2
142.07736	16.6
143.08554	32.2
144.09239	7.5
145.10136	60.8
147.04387	6.4
147.08038	23.9
147.11649	13.8
149.09608	5.2
150.49173	3.2
151.07526	6.2
154.20598	3.1
155.08473	14.3
156.09280	15.3
157.10081	51.7
158.10762	3.8
159.08015	6.5
159.11658	26.9
160.08783	3.5
161.09564	12.7
163.11172	6.5
165.09041	24.7
167.08508	3.9
167.10664	5.2
169.10063	12.7
170.10812	4.0
171.11600	18.3
172.12451	5.0
173.09644	12.4
173.13194	7.6
175.11159	14.3
179.08530	3.6
181.10091	5.0
181.12224	7.2
182.10870	4.1
183.11632	18.6
184.12416	4.0
185.13216	7.8
187.11171	12.2
187.14809	5.3
189.12729	6.3
191.14485	3.4
193.10222	3.4
194.10883	4.4
195.11732	11.6
197.13235	15.5
199.11194	3.7
201.12637	4.6
203.14281	14.0
207.11758	3.6
208.14507	3.6
209.13182	7.6
211.14828	14.8
219.13586	3.7
221.13339	6.2
221.15248	35.5
223.14822	5.2
225.16667	3.9
233.15254	15.7
234.16075	11.8
244.11617	2.9
251.14072	3.0
267.17542	4.6
286.19141	4.4
287.20035	28.2
299.19867	11.7
325.21527	6.1
337.21460	5.5
352.23972	39.4
365.24612	6.0
385.84460	3.4
462.60358	3.8
508.16916	3.3
525.35455	11.9
538.36395	100.0
618.42078	16.3
644.52490	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	618.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.6
55.05507	53.6
55.66162	5.1
56.32052	5.5
57.07058	27.2
57.37352	4.4
66.93472	5.1
67.05489	31.1
69.03388	4.5
69.07056	10.0
79.05479	25.9
81.07043	41.3
83.04948	10.4
83.08607	58.0
87.04450	33.4
91.05476	50.8
92.08758	7.2
92.09225	9.1
93.07016	51.9
95.04954	12.4
95.08591	35.7
97.06527	22.5
105.07003	88.5
107.08566	66.6
109.06492	22.8
109.10143	12.5
111.08081	9.8
113.09586	5.8
117.07004	24.1
119.08563	62.6
121.06461	9.4
121.10103	33.9
123.08044	26.7
125.09618	6.3
129.06998	25.3
131.08530	61.7
133.10144	41.0
135.08028	21.3
135.11717	8.0
137.09590	7.9
141.07007	9.3
142.07765	10.4
143.08556	45.3
144.09363	8.4
145.10114	80.6
147.08041	25.0
149.09677	10.2
151.07533	10.0
155.08574	8.4
156.09314	9.4
157.10088	46.8
159.08064	7.7
159.11650	24.3
160.08745	6.5
161.09576	8.0
165.09018	25.6
169.10081	26.1
171.11737	19.2
173.09630	8.8
173.13179	7.9
175.11215	10.4
181.10069	9.0
181.12172	6.4
183.11682	6.7
185.09572	6.5
189.12846	10.0
197.13271	23.3
203.14250	13.3
205.12321	6.0
207.11723	8.0
207.13708	7.1
209.13193	7.8
211.14810	7.9
221.15282	57.2
287.19998	32.1
299.19919	8.8
352.23907	43.0
365.24506	5.6
385.80997	7.4
400.53156	6.0
538.36530	100.0
618.42212	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	618.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24582	7.4
53.93047	6.7
55.05510	62.1
55.22392	6.4
55.75222	6.1
57.07061	30.2
57.28445	6.6
59.04978	6.9
67.05489	45.2
67.39878	6.8
68.27689	6.7
69.03403	11.1
69.07034	12.5
74.12991	7.9
76.56606	10.8
79.05463	40.1
81.07043	78.1
82.85450	7.0
83.04966	7.8
83.08585	81.3
85.06561	13.7
87.04446	48.6
91.05444	71.2
93.07035	81.1
95.04906	28.7
95.08576	42.1
97.06518	12.2
100.78168	7.0
105.07002	100.0
107.04890	9.3
107.08549	72.1
109.06491	18.1
109.10157	31.3
115.05424	8.2
117.07027	12.1
119.08559	78.3
121.10113	39.1
123.08038	18.2
125.09564	9.6
128.06183	10.4
129.06960	13.5
131.08542	60.1
133.10115	42.3
135.07994	12.5
135.11670	28.2
137.09538	9.2
139.11160	7.8
141.06955	7.9
142.07719	17.2
143.08549	51.0
145.06493	8.5
145.10115	71.6
147.08012	18.4
147.11668	15.5
149.09560	14.5
156.09326	12.9
157.10071	63.2
158.10809	10.2
159.08015	13.5
159.11684	40.9
160.08795	10.4
161.09607	15.5
161.13194	8.5
163.11201	32.0
165.09058	38.8
168.77686	8.0
169.10066	19.3
169.48672	9.0
171.11668	18.1
173.09642	14.0
173.13191	13.7
175.11136	13.5
181.12248	16.3
182.10773	9.7
183.11665	30.8
185.13275	15.8
191.14368	8.0
195.11729	8.6
203.14326	14.6
209.13199	15.0
221.13405	9.7
221.15411	67.6
223.14731	8.6
233.15382	10.7
235.32440	8.6
236.45526	7.6
287.19974	43.7
352.23837	45.8
389.16638	9.1
407.62869	8.6
538.36554	98.2
618.41376	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	618.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81445	4.5
55.01864	4.6
55.05509	44.2
57.07061	19.0
64.33134	3.5
67.05491	18.8
69.03423	6.0
69.07059	17.6
79.05470	37.5
81.07021	45.4
82.73782	4.9
83.04961	18.6
83.08605	50.0
85.06560	8.1
87.04447	49.2
91.05454	46.6
93.07011	52.2
95.04944	25.1
95.08602	40.9
99.04376	4.4
105.07009	84.8
107.08575	52.4
109.06529	23.1
109.10150	20.1
117.07024	19.5
118.06059	4.1
119.04938	29.8
119.08560	77.0
121.06541	8.1
121.10146	42.7
123.08056	20.2
125.09592	7.0
129.07013	18.9
131.08548	51.1
133.10088	34.9
135.08008	6.6
137.09602	9.7
139.11165	5.8
142.07753	20.5
143.08559	31.2
144.09251	7.5
145.06483	5.3
145.10081	65.2
147.04404	50.3
147.08064	22.4
147.11693	8.4
148.04665	6.1
149.09575	5.3
151.07578	7.6
155.08469	18.3
156.09422	4.6
157.10095	51.0
158.10963	6.2
159.07997	8.1
159.11688	33.7
160.08809	6.5
161.09602	4.6
161.13274	6.9
163.11169	8.3
165.09090	22.4
167.08560	8.9
167.10703	6.0
169.10123	22.7
170.10910	5.9
171.11679	21.1
172.12582	4.9
173.09592	5.6
173.13162	7.0
175.11200	5.2
175.14867	4.9
181.10136	8.7
181.12213	10.7
183.11746	7.1
185.13109	9.2
187.11139	7.3
187.14763	5.8
193.10291	5.3
193.12143	5.6
194.10892	6.4
195.11679	7.0
196.12454	5.1
197.13232	17.9
203.14293	8.8
207.13887	5.3
209.13261	6.2
219.13806	5.6
221.15251	30.9
233.15282	6.5
247.16873	7.6
277.19455	5.0
287.20010	29.5
324.08917	5.1
325.21426	7.1
352.23993	35.9
373.04758	5.8
455.25705	4.9
472.88013	5.1
538.36487	100.0
539.36316	4.9
618.42609	16.9
648.08051	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	618.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30219	0.3
53.03937	3.7
55.01857	1.6
55.05496	2.7
57.03418	1.8
57.07056	0.6
61.02914	0.8
67.05482	4.3
69.03414	8.8
69.07045	2.6
70.06564	0.6
70.30459	0.4
71.04973	2.5
71.06639	0.4
76.51572	0.5
77.03932	0.5
79.05472	8.4
80.04292	0.5
81.03394	16.2
81.07036	13.9
83.04967	1.6
83.08583	0.7
83.91328	0.4
85.02888	12.0
85.06529	11.8
91.05460	2.5
92.08718	0.9
92.09222	0.7
93.07024	5.4
95.04942	7.2
95.08585	12.6
97.02866	9.1
97.06493	1.9
97.10110	0.7
99.04421	3.1
99.08086	0.7
105.03371	100.0
105.07011	3.4
106.03687	3.4
107.04905	0.5
107.08575	3.4
109.02863	8.6
109.06513	2.0
109.10134	3.7
111.08041	0.8
111.11715	0.4
119.04907	0.9
119.08617	3.2
119.09290	0.4
121.06510	0.9
121.10118	2.3
123.04407	11.4
123.08038	0.6
123.11658	0.8
125.09674	0.5
127.03896	7.5
129.09105	0.8
131.08568	1.7
133.10100	2.7
135.08005	0.8
135.11693	2.0
137.05927	0.8
137.09601	0.6
137.13245	4.4
143.08546	0.7
145.02814	0.7
145.04913	1.0
145.10110	1.7
147.04364	2.4
147.08012	0.4
147.11717	2.0
149.09636	0.9
155.14270	8.6
157.10175	0.8
159.08090	0.6
159.11664	0.9
161.09621	0.5
161.13200	0.8
163.11153	0.6
167.07051	3.7
171.11697	0.5
173.15320	9.7
175.11142	0.5
183.11760	0.5
185.13242	0.4
187.14809	0.5
197.98526	0.5
207.06473	0.5
219.10295	0.4
231.06471	1.0
249.07509	15.4
267.08551	16.6
267.11179	0.8
268.08795	0.5
335.20566	0.8
403.28427	0.5
424.25281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30219	0.3
53.03937	3.7
55.01857	1.6
55.05496	2.7
57.03418	1.8
57.07056	0.6
61.02914	0.8
67.05482	4.3
69.03414	8.8
69.07045	2.6
70.06564	0.6
70.30459	0.4
71.04973	2.5
71.06639	0.4
76.51572	0.5
77.03932	0.5
79.05472	8.4
80.04292	0.5
81.03394	16.2
81.07036	13.9
83.04967	1.6
83.08583	0.7
83.91328	0.4
85.02888	12.0
85.06529	11.8
91.05460	2.5
92.08718	0.9
92.09222	0.7
93.07024	5.4
95.04942	7.2
95.08585	12.6
97.02866	9.1
97.06493	1.9
97.10110	0.7
99.04421	3.1
99.08086	0.7
105.03371	100.0
105.07011	3.4
106.03687	3.4
107.04905	0.5
107.08575	3.4
109.02863	8.6
109.06513	2.0
109.10134	3.7
111.08041	0.8
111.11715	0.4
119.04907	0.9
119.08617	3.2
119.09290	0.4
121.06510	0.9
121.10118	2.3
123.04407	11.4
123.08038	0.6
123.11658	0.8
125.09674	0.5
127.03896	7.5
129.09105	0.8
131.08568	1.7
133.10100	2.7
135.08005	0.8
135.11693	2.0
137.05927	0.8
137.09601	0.6
137.13245	4.4
143.08546	0.7
145.02814	0.7
145.04913	1.0
145.10110	1.7
147.04364	2.4
147.08012	0.4
147.11717	2.0
149.09636	0.9
155.14270	8.6
157.10175	0.8
159.08090	0.6
159.11664	0.9
161.09621	0.5
161.13200	0.8
163.11153	0.6
167.07051	3.7
171.11697	0.5
173.15320	9.7
175.11142	0.5
183.11760	0.5
185.13242	0.4
187.14809	0.5
197.98526	0.5
207.06473	0.5
219.10295	0.4
231.06471	1.0
249.07509	15.4
267.08551	16.6
267.11179	0.8
268.08795	0.5
335.20566	0.8
403.28427	0.5
424.25281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30219	0.3
53.03937	3.7
55.01857	1.6
55.05496	2.7
57.03418	1.8
57.07056	0.6
61.02914	0.8
67.05482	4.3
69.03414	8.8
69.07045	2.6
70.06564	0.6
70.30459	0.4
71.04973	2.5
71.06639	0.4
76.51572	0.5
77.03932	0.5
79.05472	8.4
80.04292	0.5
81.03394	16.2
81.07036	13.9
83.04967	1.6
83.08583	0.7
83.91328	0.4
85.02888	12.0
85.06529	11.8
91.05460	2.5
92.08718	0.9
92.09222	0.7
93.07024	5.4
95.04942	7.2
95.08585	12.6
97.02866	9.1
97.06493	1.9
97.10110	0.7
99.04421	3.1
99.08086	0.7
105.03371	100.0
105.07011	3.4
106.03687	3.4
107.04905	0.5
107.08575	3.4
109.02863	8.6
109.06513	2.0
109.10134	3.7
111.08041	0.8
111.11715	0.4
119.04907	0.9
119.08617	3.2
119.09290	0.4
121.06510	0.9
121.10118	2.3
123.04407	11.4
123.08038	0.6
123.11658	0.8
125.09674	0.5
127.03896	7.5
129.09105	0.8
131.08568	1.7
133.10100	2.7
135.08005	0.8
135.11693	2.0
137.05927	0.8
137.09601	0.6
137.13245	4.4
143.08546	0.7
145.02814	0.7
145.04913	1.0
145.10110	1.7
147.04364	2.4
147.08012	0.4
147.11717	2.0
149.09636	0.9
155.14270	8.6
157.10175	0.8
159.08090	0.6
159.11664	0.9
161.09621	0.5
161.13200	0.8
163.11153	0.6
167.07051	3.7
171.11697	0.5
173.15320	9.7
175.11142	0.5
183.11760	0.5
185.13242	0.4
187.14809	0.5
197.98526	0.5
207.06473	0.5
219.10295	0.4
231.06471	1.0
249.07509	15.4
267.08551	16.6
267.11179	0.8
268.08795	0.5
335.20566	0.8
403.28427	0.5
424.25281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.2
53.03715	0.2
53.03939	3.3
55.01857	0.3
55.05490	0.2
56.23358	0.1
57.03429	1.1
57.42953	0.1
61.02903	0.6
61.16059	0.1
67.05459	0.2
69.03413	6.6
69.07039	1.0
71.04961	1.2
71.08240	0.2
71.08614	5.7
73.02895	0.2
76.56638	0.1
77.03902	0.6
79.05470	5.2
80.98694	0.1
81.03395	15.8
81.07025	0.9
85.02882	7.7
91.05458	0.2
92.09167	0.9
93.07017	0.6
95.04327	0.2
95.04938	4.9
95.08583	0.3
97.02862	9.0
99.04426	2.1
99.08068	8.5
99.08728	0.1
105.03368	100.0
105.07016	0.6
106.03703	0.2
107.08568	0.3
109.02858	9.4
109.06489	0.2
109.10132	0.2
119.08560	0.2
123.04394	10.3
123.07981	0.2
127.03882	6.9
129.12727	0.8
132.73901	0.2
135.11668	0.1
143.08505	0.2
145.04945	1.3
145.10097	0.2
155.14180	0.2
165.05441	0.3
171.11742	0.2
172.71503	0.1
173.15346	3.3
177.05507	0.1
203.56902	0.2
207.06390	0.2
231.06509	1.6
249.04739	0.2
249.05597	0.3
249.07512	18.9
267.08566	22.0
297.00903	0.2
429.72192	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06568	2.1
53.03941	4.5
55.01858	4.7
55.05499	35.1
57.07074	18.2
57.22079	2.3
57.95612	2.2
59.04972	3.1
67.05489	39.0
69.03407	15.0
69.07052	35.0
71.04960	4.1
73.56110	2.3
73.69916	2.9
79.05467	38.3
81.07033	61.8
81.52538	2.6
83.04958	29.6
83.08194	2.8
83.08603	24.7
85.02894	5.4
85.06543	4.9
85.36819	2.4
91.05458	63.6
91.37264	2.4
92.09172	16.4
93.07016	86.4
95.04945	32.1
95.08582	38.5
97.06505	19.8
103.05388	2.8
105.07012	100.0
107.04971	3.1
107.08584	69.3
109.06480	26.0
109.10124	29.3
111.08073	4.2
111.11802	2.9
113.09610	2.6
115.05452	5.8
116.06217	4.4
117.06978	22.9
119.08556	78.4
120.01109	2.8
121.06491	10.9
121.10112	77.6
123.08036	19.9
123.11677	10.6
125.05978	17.9
125.09601	5.5
128.06216	14.4
129.06982	21.7
129.35661	2.8
130.07771	4.5
131.08530	48.5
133.06520	5.5
133.07509	3.0
133.10107	40.9
135.08040	14.1
135.11690	11.2
137.09598	11.0
137.79074	2.3
139.11182	4.3
141.06979	6.5
142.07765	30.3
143.08534	50.3
144.09326	10.5
145.06421	3.5
145.10097	70.5
147.08055	17.4
147.11687	17.8
149.09596	17.8
151.07501	12.7
151.11223	3.2
153.06938	5.6
154.07777	5.6
155.08530	20.6
156.09317	18.8
157.10085	55.8
158.10849	4.3
159.08023	21.2
159.11667	33.9
161.09550	5.3
161.13217	6.0
163.11122	25.8
165.06966	12.4
165.09119	5.7
166.07664	4.4
167.08476	11.1
167.10616	58.5
168.09277	9.6
169.10097	28.3
170.10883	11.6
171.11629	31.2
173.09610	4.3
173.13213	10.9
175.11224	11.4
175.14827	3.0
179.08568	17.0
180.09306	10.3
181.10120	19.1
181.12212	20.6
182.10866	12.0
183.11667	22.5
183.57756	2.8
185.13231	12.5
187.11140	3.5
189.12733	10.8
189.16248	2.6
191.14220	2.9
192.09372	4.7
193.10107	25.5
194.10904	5.4
195.11697	24.0
197.13252	17.0
199.14816	6.0
201.12737	3.9
205.10147	3.2
206.10817	4.4
207.11636	15.6
208.12386	4.2
209.13246	16.0
211.11194	3.2
211.14784	12.2
213.12701	3.5
215.14259	6.2
219.11705	4.3
220.12521	4.9
221.13184	13.5
221.15302	12.2
222.13997	2.7
223.14786	11.9
225.16257	4.1
231.11659	4.1
233.13252	3.8
233.15289	24.9
235.14723	5.0
237.12514	3.8
237.16402	3.7
249.16364	4.0
259.14758	4.0
261.16330	4.7
311.20013	3.2
599.40741	6.2
601.26086	3.1
617.40851	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	617.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64468	0.4
54.64343	0.5
54.81646	0.6
54.92125	0.5
55.05499	2.6
57.03415	0.8
62.01204	0.6
62.73521	0.4
65.84044	0.6
67.05487	5.7
69.07076	1.9
71.05001	0.5
79.05473	3.6
81.07030	4.8
83.04978	1.0
83.08606	0.8
91.05473	1.4
92.08994	3.1
93.07014	4.2
95.04957	0.9
95.08572	4.6
105.07048	2.7
107.08588	2.5
109.10146	1.0
119.08569	2.8
121.10144	2.3
131.08530	0.9
133.10103	0.9
140.34126	0.5
145.10110	0.6
157.10129	0.6
212.56042	0.5
221.15350	0.7
283.15115	17.6
335.26025	0.8
339.17657	4.2
564.45892	0.6
617.40131	100.0
618.39673	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.3
57.03419	0.6
57.07065	0.5
60.34345	0.4
67.05492	5.6
69.03418	0.4
69.07050	2.3
79.05473	4.5
81.03366	0.4
81.07035	6.2
83.04970	0.7
83.08599	1.6
91.05469	3.4
92.08717	1.8
92.09347	0.9
93.07023	5.1
95.04969	1.5
95.08592	4.8
97.06484	0.9
105.07014	4.1
106.70638	0.4
107.08582	4.6
107.79037	0.4
109.06531	0.4
109.10153	2.3
111.08080	0.4
117.06963	0.7
119.08534	3.9
121.10147	2.2
121.95048	0.5
123.08022	0.7
129.06975	0.6
131.08551	1.8
133.10123	0.7
135.08029	0.4
135.11694	0.5
136.76534	0.4
142.07771	0.6
143.08592	0.8
145.10114	1.9
147.11642	0.8
149.09564	0.5
149.13397	0.4
151.07507	0.4
157.10130	0.9
159.08067	0.5
159.11620	0.7
160.97279	0.4
165.09126	0.7
168.37161	0.4
169.10104	0.6
171.11676	0.9
195.11716	0.6
201.12610	0.4
221.15405	0.7
233.11507	0.5
271.74039	0.4
283.15070	13.3
335.25778	1.7
339.17725	4.1
444.43616	0.4
483.80264	0.4
617.40094	100.0
618.41089	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75736	0.5
53.03936	1.0
54.05626	0.6
55.05500	4.3
55.65399	0.7
56.96555	1.2
57.03428	0.6
57.07067	1.4
65.03927	1.1
67.05494	5.6
69.03421	0.7
69.07057	5.8
71.19328	0.5
79.05466	5.4
81.07040	11.6
83.04942	1.0
83.08610	2.4
85.06512	0.8
91.05463	20.0
92.09138	2.5
93.07031	10.3
93.43771	0.6
95.04948	7.1
95.08592	16.0
97.06483	0.9
99.08153	0.8
105.07020	15.7
107.04937	15.7
107.08574	18.7
109.06483	1.0
109.10135	8.5
111.43759	0.5
117.07010	2.5
118.98626	0.7
119.04916	34.2
119.08560	21.0
121.06501	2.5
121.10120	10.4
123.04414	19.8
123.05293	1.1
123.08055	2.7
123.11679	2.7
127.87157	0.6
129.06960	1.1
130.57082	0.5
131.08539	9.9
133.10103	12.5
135.08040	0.8
135.11671	7.7
137.09587	0.9
141.07040	0.8
143.08563	4.8
145.10097	15.5
147.04391	100.0
147.11685	6.5
148.04761	1.1
149.09651	1.4
149.13261	3.8
151.07568	1.0
155.08495	1.0
156.09343	1.1
157.10109	6.4
158.10976	1.1
159.11684	11.4
161.13206	4.3
163.11148	2.7
163.14806	2.5
165.05473	6.3
169.10081	1.3
170.10959	1.0
171.11607	4.1
173.13225	7.0
175.14804	7.3
177.16431	2.5
181.10191	0.6
181.12212	0.9
183.11684	2.4
185.13240	3.7
187.14766	10.9
188.87416	0.6
189.14848	0.6
189.16324	5.6
197.13252	1.4
199.14783	3.1
201.16376	11.6
203.14317	0.7
203.17998	2.3
205.15871	2.5
209.13324	1.1
211.14845	0.9
213.16414	2.6
215.17995	3.6
217.15790	0.7
219.17523	2.6
221.15436	2.4
225.16470	1.1
227.17929	1.4
229.19498	0.8
239.17920	1.0
247.16878	3.3
253.19498	0.9
299.19772	0.8
309.25729	1.4
341.24881	0.7
389.31927	4.8
395.29514	0.9
405.31369	3.1
407.32986	7.0
433.31329	1.0
435.32599	6.6
451.32074	3.1
453.33365	3.7
545.31274	0.8
578.99158	0.8
617.37195	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	617.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31395	0.3
52.29454	0.3
54.82125	0.4
55.05503	2.4
57.07062	0.9
61.54884	0.4
65.03941	0.4
67.05489	3.7
69.03400	0.4
69.07047	1.9
71.13584	0.3
79.05474	2.4
81.07046	6.3
83.08613	1.5
89.05977	0.4
91.04885	0.6
91.05455	16.0
93.07018	6.0
95.04945	1.6
95.08579	8.3
97.06499	0.8
97.10121	0.4
102.07505	0.3
103.05490	0.5
105.07003	6.2
107.08573	7.5
109.06495	0.9
109.10132	5.0
111.08076	0.5
117.06992	0.8
119.04923	34.0
119.08565	8.8
121.10107	6.0
123.07997	0.6
123.11685	1.9
125.09669	0.6
125.38847	0.4
129.06911	0.5
131.08548	4.0
133.10114	7.9
135.11661	3.0
137.13203	0.7
142.07712	0.7
143.08531	2.0
144.09258	0.4
145.10098	7.0
147.04388	100.0
147.11674	4.0
148.04759	1.6
149.13211	1.9
156.09189	0.4
156.21597	0.4
157.10069	2.7
159.11674	4.7
161.13242	2.8
163.11180	0.5
163.14796	1.6
165.05424	2.6
165.06737	0.4
169.10115	0.7
171.11655	2.6
173.13239	2.3
175.14760	3.1
177.16342	1.6
181.12096	0.5
182.10812	0.4
183.11659	0.5
185.13206	2.2
187.14764	4.0
189.16339	3.0
191.17982	0.5
197.13255	1.5
199.14775	1.8
201.16287	4.3
203.17935	2.1
205.15862	0.8
211.14742	0.4
213.16301	1.6
215.17860	2.8
226.67857	0.5
239.18034	0.5
245.15303	0.5
247.16913	0.6
407.32837	2.9
425.33694	1.5
435.32361	2.4
453.33453	3.9
458.66840	0.4
617.37317	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	617.3655
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
51.19142	0.5
52.94582	0.6
53.03940	0.6
55.05495	2.6
57.07056	0.8
59.83429	0.6
64.85125	0.6
67.05500	4.8
69.07039	3.0
79.05466	3.9
81.03397	0.9
81.07038	4.1
83.04948	1.4
83.08593	1.0
85.02895	0.9
90.43691	0.6
91.05471	5.7
93.07038	6.1
95.04956	1.3
95.08582	5.8
97.35051	0.6
99.12661	0.7
105.07013	4.7
107.04922	1.0
107.08565	5.2
108.29922	0.7
109.10195	0.8
117.06965	1.0
119.04914	3.2
119.07841	0.7
119.08532	5.9
120.15099	0.7
121.10113	3.3
123.04434	0.8
123.08067	0.8
129.06981	0.7
131.08569	2.8
133.10120	3.8
135.11652	0.8
145.10095	2.9
147.04387	10.6
147.11719	2.7
149.09573	0.9
157.10056	1.4
159.11633	1.4
163.14792	0.9
171.11606	0.9
173.13255	1.1
175.11197	0.7
175.14809	1.7
185.13213	0.6
187.14804	3.0
189.06894	0.7
201.16376	3.1
213.16219	1.0
239.04868	0.6
251.12439	1.4
333.20163	6.7
389.22873	5.8
407.32834	1.3
614.17456	0.7
617.36420	100.0
618.37109	1.4
642.31543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56371	0.1
53.03938	0.1
55.01858	0.1
55.05507	0.2
65.03927	0.7
67.05483	0.1
69.03412	0.5
69.07051	0.3
71.04996	0.1
75.47027	0.1
77.03916	0.1
79.05473	0.2
81.03404	0.6
81.07040	0.3
84.33740	0.1
85.02905	0.2
85.06548	0.1
85.62959	0.1
91.05464	9.7
92.08764	0.4
93.07006	0.4
95.04946	0.9
95.08566	0.1
97.02870	0.8
105.03375	8.5
105.06999	0.4
106.03722	0.1
107.04947	0.1
107.08611	0.2
109.02891	0.6
109.06506	0.1
109.10155	0.2
119.04923	33.1
119.08559	0.3
120.05283	0.4
121.10117	0.1
123.04424	0.4
123.08046	0.1
125.09644	0.1
127.03896	0.2
130.06503	0.2
131.04901	0.1
131.08583	0.1
132.08037	0.2
133.10130	0.2
141.07018	0.1
145.04988	0.1
145.10114	0.1
147.04391	100.0
148.04735	0.7
157.06476	0.1
157.10071	0.1
159.08078	0.1
159.09181	0.8
169.06508	0.2
185.05922	0.3
187.07541	0.4
189.08987	0.1
203.07092	0.1
211.07312	0.1
213.05388	0.3
227.06982	0.1
231.06476	1.7
249.07484	0.6
255.06369	0.4
267.08496	0.3
273.07397	0.1
351.13403	0.7
395.11035	0.4
413.12479	0.8
617.30383	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	616.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	27.1
67.05486	27.7
68.86343	4.5
69.03420	18.4
69.07038	23.4
71.04987	5.6
73.30465	4.8
79.05469	43.3
81.07023	52.3
83.04968	20.4
83.08604	18.0
85.06509	7.5
91.05470	70.4
92.08805	26.8
93.07021	77.3
95.04935	31.4
95.08587	36.1
105.07013	100.0
107.08564	60.7
109.06509	21.8
109.10143	25.6
111.08029	7.6
113.19557	4.7
117.06985	23.1
119.08537	69.8
121.06479	10.2
121.10122	62.3
123.08051	31.3
125.09612	9.6
128.06235	7.0
129.06989	21.8
130.07793	9.5
130.46091	5.2
131.08513	51.6
133.10086	50.1
135.08055	23.2
135.11714	10.5
135.23589	5.1
137.09584	6.6
141.22974	5.2
142.07788	22.6
143.08548	36.3
144.09286	8.8
145.06416	5.7
145.10098	59.9
147.08075	26.0
147.11659	22.7
149.09592	6.8
155.08537	9.6
155.10605	7.3
156.09352	26.8
157.10091	69.1
159.11665	38.7
161.13246	6.8
163.11131	7.1
165.06924	7.9
165.09129	5.0
167.08502	9.1
167.10614	48.8
168.09294	7.9
169.10092	29.6
171.11671	32.1
173.09692	6.6
173.13272	11.1
175.11148	17.9
179.08487	9.5
181.10146	11.4
181.12100	9.7
182.10980	6.2
183.11667	26.7
184.08588	5.1
185.13159	9.4
187.11169	5.9
193.10112	6.0
193.25615	5.7
195.11630	19.0
197.13229	22.5
201.12698	6.9
207.11723	22.5
209.13194	11.1
211.10938	5.5
211.14941	6.2
213.12572	6.1
221.13391	13.8
221.15303	8.3
223.14827	5.6
227.31184	5.2
233.13074	5.6
234.16187	7.7
235.14726	7.3
249.16333	6.9
348.30917	5.7
377.72491	5.5
458.86264	5.7
493.33026	6.5
573.38684	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	616.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.1
51.02370	0.2
53.00293	0.2
53.03938	3.1
55.01855	0.6
55.05502	1.4
56.46245	0.1
57.03426	1.0
57.07050	0.3
59.04978	0.2
61.02908	0.6
65.03905	0.1
67.05486	1.6
67.36307	0.1
68.96305	0.1
69.03413	6.5
69.07053	1.3
71.04974	1.0
73.02897	0.3
73.48960	0.1
77.03915	0.5
79.05474	6.9
81.03397	14.1
81.07033	2.5
83.04956	0.6
83.08613	0.2
85.02886	8.8
85.06535	0.4
87.04446	0.1
91.05455	4.6
91.06003	0.2
92.08701	0.2
92.09261	0.3
93.07023	15.5
95.04942	6.5
95.08577	2.3
96.04456	0.1
97.02868	9.2
97.06519	1.4
99.04432	2.2
103.05405	0.1
105.03372	100.0
105.06998	2.1
106.03718	0.6
107.04903	0.2
107.08572	15.3
109.02857	9.0
109.06502	0.9
109.10123	1.3
111.08048	0.1
112.47682	0.1
112.52142	0.1
119.06055	0.6
119.08579	1.0
121.06550	0.2
121.10133	0.5
123.04406	9.9
123.08016	0.2
123.11619	0.1
125.09625	0.2
127.03894	6.4
129.06963	0.1
131.08566	0.2
133.06491	0.1
133.10153	0.4
135.11673	8.5
137.06046	0.2
137.13297	0.2
144.33308	0.1
145.04935	1.8
145.10085	0.4
147.04376	0.3
147.11668	0.2
149.09688	0.1
150.10010	0.1
153.12799	0.3
157.10110	0.2
159.11655	0.2
163.11105	0.1
165.05486	0.2
165.09091	0.1
167.06998	0.5
167.10635	0.1
171.13847	0.1
177.05473	0.2
177.12851	0.1
183.11789	0.1
224.07535	0.1
231.06490	1.2
249.07521	20.1
250.07730	0.2
267.08569	20.1
636.52838	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	616.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.2
53.03726	0.2
53.03940	3.7
55.01857	0.9
55.05507	1.8
55.05709	0.2
56.15986	0.2
57.03416	1.4
57.07056	0.2
61.02896	0.5
62.80925	0.2
64.84740	0.2
65.03922	0.3
67.05484	3.1
67.49149	0.2
69.03410	6.3
69.07049	2.2
71.04962	1.2
73.02895	0.4
77.03914	0.3
79.05471	9.2
81.03394	14.7
81.07032	3.6
83.04953	1.1
83.08603	0.5
85.02879	9.4
85.06524	0.8
91.05453	6.8
92.09032	0.9
93.07018	21.0
95.04943	6.6
95.08579	5.6
97.02858	8.4
97.06519	2.4
99.04444	2.1
101.05961	0.3
105.03365	100.0
105.06990	3.4
106.03713	0.5
107.04967	0.4
107.08566	19.9
108.04408	0.2
109.02853	10.2
109.06488	1.7
109.10129	2.0
111.08028	0.2
117.06994	0.2
119.04897	0.3
119.06081	0.5
119.08549	1.7
121.02884	0.2
121.06435	0.2
121.10106	1.0
123.04397	10.3
123.08021	0.3
123.11628	0.3
125.05949	0.4
125.09634	0.4
127.03873	7.0
129.07011	0.3
131.04929	0.4
131.08521	0.4
133.10086	1.4
135.08046	0.5
135.11655	8.2
137.05971	0.3
137.09592	0.3
137.13231	0.3
145.02773	0.2
145.04916	1.5
145.10062	1.0
147.04396	1.1
147.11642	0.5
151.11168	0.2
157.10158	0.3
159.11671	0.3
166.08118	0.2
167.07011	1.1
170.08636	0.2
175.11127	0.2
177.05423	1.1
177.12794	0.3
181.04904	0.4
202.55025	0.2
231.06529	1.3
249.07501	22.5
267.08566	24.9
268.09082	0.2
288.56546	0.2
305.90582	0.2
309.77567	0.2
319.48474	0.2
360.70511	0.2
376.58282	0.2
400.33069	0.3
429.13855	0.3
576.77728	0.2
615.33423	0.4
616.33405	0.9
616.43744	0.8
622.90009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.4
53.03757	0.2
53.03937	3.4
53.45926	0.3
55.05502	2.6
57.03419	1.5
57.07053	0.4
58.15108	0.3
59.04980	0.6
59.72363	0.3
60.10468	0.2
61.02924	0.5
64.06944	0.2
64.20336	0.2
66.84658	0.3
67.05483	1.4
69.03416	7.0
69.07052	2.8
71.04974	9.0
73.06530	2.1
77.03927	0.4
79.05474	8.1
81.02924	0.6
81.03397	14.4
81.07038	13.5
81.07526	0.3
82.07348	0.3
83.04955	1.3
83.08589	0.5
85.02888	9.6
85.03371	0.6
85.06524	0.6
91.05446	3.6
93.07026	10.2
95.04953	6.4
95.08585	3.0
97.02260	0.5
97.02872	10.0
97.06497	1.5
97.10134	0.3
99.04445	3.6
103.05438	0.3
105.03374	100.0
105.06995	2.5
106.03723	0.5
107.05019	0.3
107.08575	8.8
109.02866	10.7
109.06513	0.6
109.10154	2.7
111.08053	0.5
119.08568	2.2
121.06483	0.5
121.10134	1.4
123.04402	9.7
123.08030	1.1
124.76817	0.3
125.09647	0.7
127.03895	7.1
131.08513	1.4
133.06497	0.3
133.10124	1.3
135.07982	0.5
135.11662	11.3
137.06004	0.3
137.09618	0.5
145.04944	1.4
145.10144	1.3
146.07224	0.3
147.04382	1.2
147.11641	0.4
149.09590	0.6
151.11186	0.5
153.12720	26.3
159.11601	0.4
161.16864	0.3
163.11226	0.3
167.07016	2.7
171.11679	0.4
173.13211	0.4
177.05447	0.3
193.12204	0.3
194.15686	0.3
217.86826	0.3
231.06499	1.2
249.07515	22.2
267.08572	24.7
272.61523	0.3
283.27408	0.4
616.27502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.1
51.02366	0.2
53.00299	0.2
53.03718	0.1
53.03945	2.8
55.01849	0.2
55.05510	1.4
56.69695	0.1
57.03431	1.1
57.07062	0.2
59.04984	0.2
61.02912	0.2
63.84256	0.1
65.03931	0.4
67.05506	1.4
69.03418	7.7
69.07055	1.2
71.04977	1.3
73.02885	0.4
76.87553	0.1
77.03917	0.7
79.05479	7.3
81.03403	15.0
81.07045	2.4
83.04974	0.5
83.08604	0.4
85.02892	9.1
85.06555	0.2
87.04465	0.1
91.05463	4.6
92.08899	0.6
92.09417	0.1
93.07027	15.2
94.07347	0.2
95.04953	7.0
95.08587	2.6
97.02874	9.2
97.06507	1.4
99.04446	2.4
101.02340	0.1
105.03380	100.0
105.06994	2.2
106.03717	0.5
107.04920	0.2
107.08582	15.9
108.08916	0.1
109.02864	8.9
109.06480	0.9
109.10134	1.7
111.04442	0.2
111.08070	0.2
114.97390	0.1
117.07013	0.4
119.04990	0.1
119.06049	0.2
119.08575	0.9
120.09349	0.1
121.06461	0.1
121.10141	0.8
123.04409	9.6
125.05960	0.2
127.03902	6.1
131.04942	0.1
131.08553	0.4
133.06499	0.1
133.10101	0.5
135.08015	0.2
135.11679	7.9
137.06000	0.2
137.09601	0.2
137.13252	0.2
143.08517	0.1
144.53726	0.1
145.04956	1.5
145.10164	0.4
147.04436	0.4
147.11728	0.4
149.09608	0.2
153.12727	0.6
159.11726	0.2
161.05989	0.1
161.09550	0.2
163.03899	0.1
163.11122	0.2
165.05486	0.2
165.09076	0.1
167.07057	0.2
171.13730	0.2
177.05487	0.1
207.06541	0.2
231.06462	1.2
249.07533	19.3
267.08591	19.3
268.09158	0.1
326.27438	0.1
360.12842	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	615.386
Annotation	Synaptolepis factor K1
Peak:m/z	Relative Intensity
55.05501	3.3
64.64501	1.6
67.05493	17.0
69.07032	7.5
78.75191	1.6
79.05466	2.6
81.07059	13.0
81.86018	1.8
89.05997	10.1
91.05420	3.2
92.08825	4.2
93.07014	7.9
95.08588	9.3
97.06519	2.0
105.07001	7.8
107.08582	4.0
109.06475	2.1
109.10107	6.4
119.08592	8.4
121.10130	3.6
131.08574	2.7
133.10124	3.4
140.06654	1.9
157.10060	2.2
221.15291	2.5
281.13550	25.3
539.23883	3.0
615.38373	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	616.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81670	0.5
55.05505	0.9
56.05022	1.0
56.96309	0.7
56.96554	8.5
57.03431	0.5
57.55438	0.4
58.06598	0.5
60.08149	11.1
67.05482	3.2
69.07063	0.9
71.07359	7.4
71.95232	0.6
72.08136	1.0
79.05482	1.0
81.07022	1.2
86.09689	35.6
91.05477	1.0
93.07010	2.2
95.04947	0.9
95.08583	2.1
98.00986	0.4
98.97547	0.5
102.92609	2.3
104.10723	100.0
105.07019	0.9
107.08568	2.1
110.97541	0.5
116.98589	0.8
119.08573	1.1
121.10165	0.6
124.99984	3.8
128.98602	1.9
136.92992	1.5
146.85562	0.5
146.99661	2.5
154.94122	4.3
155.03903	0.5
165.00772	0.6
172.95198	13.1
180.95706	4.5
181.02713	0.6
184.07304	5.8
189.04265	0.7
190.96263	9.2
198.96768	30.0
203.29681	0.4
206.49124	0.6
210.96738	2.6
216.97815	31.3
217.98433	0.5
222.07700	0.5
227.09772	0.7
228.97775	5.9
240.02904	0.5
240.09886	1.2
246.98814	1.1
254.99336	2.8
258.04135	0.7
258.98764	0.7
293.05374	0.6
300.05170	0.9
317.17804	37.7
335.18839	23.6
353.19931	0.6
358.20538	1.1
373.20462	0.6
437.17422	2.7
453.17004	1.1
471.17981	6.5
497.19754	4.0
500.24280	8.7
504.64188	0.7
504.71848	0.8
518.32202	0.7
556.26929	19.0
557.16064	0.6
560.50330	0.5
616.29034	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	615.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.9
57.03415	0.9
67.05487	5.3
69.07056	3.7
75.52562	1.0
79.05461	5.0
81.03416	1.6
81.07040	4.8
83.04968	1.3
83.08582	1.9
85.02890	1.6
91.05459	6.8
92.08780	1.1
93.07014	5.2
95.04948	4.3
95.08559	4.0
105.07024	6.8
107.08591	3.9
113.18213	1.0
117.06940	1.0
119.04906	2.1
119.08559	6.3
121.10101	1.4
123.08023	1.9
127.84978	1.1
128.02350	0.9
131.08546	1.6
133.10123	4.1
135.07980	1.4
147.04424	7.4
147.11687	1.2
203.00792	0.9
256.32980	1.0
307.15298	1.2
327.19824	1.2
331.18762	7.1
387.21341	4.7
511.30573	1.2
573.36078	3.8
615.34851	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	615.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.01849	3.0
55.05490	3.5
56.96534	0.6
57.03417	1.4
57.07054	0.8
60.26045	0.4
61.02913	0.7
65.03596	0.7
65.03925	13.9
67.05489	8.3
69.03419	4.5
69.07052	5.7
71.01334	0.7
71.04967	1.1
73.02884	0.4
73.07690	0.5
79.05476	7.0
81.03380	4.5
81.07033	11.3
82.04168	2.9
83.04962	3.2
83.08582	1.2
85.02889	5.4
85.06525	3.1
91.05452	8.7
92.09156	0.5
93.03378	4.7
93.07030	7.8
95.01299	1.2
95.04944	7.3
95.08569	8.3
97.02854	2.8
97.06496	3.8
99.08063	2.6
103.05437	0.7
105.03368	14.9
105.07017	5.9
106.03710	1.1
107.04964	5.9
107.08585	6.8
109.02886	2.4
109.06519	4.2
109.10133	5.5
110.03652	13.7
111.03668	0.6
111.04427	17.7
111.08044	2.2
117.06996	1.3
119.04929	3.4
119.08538	4.5
121.02850	11.1
121.06472	2.9
121.10107	5.1
123.04431	4.6
123.08004	2.2
123.11653	0.7
125.05962	19.2
125.09599	0.9
127.03912	1.2
127.31523	0.5
128.06253	0.9
129.06956	2.3
131.04933	2.2
131.08531	2.7
133.02808	2.6
133.06451	3.4
133.10074	3.3
135.04398	1.0
135.08032	3.1
135.11652	3.7
137.05933	7.6
137.13214	0.8
138.03029	0.8
138.68173	0.6
139.03865	2.1
139.07538	0.6
142.07768	0.6
143.08572	2.7
145.06480	2.1
145.10124	2.6
147.04382	4.9
147.08038	1.2
147.11671	3.5
149.02322	3.8
149.09586	1.0
149.13219	2.2
151.03934	4.4
151.04938	0.7
151.07501	3.5
151.11191	0.6
153.05438	27.8
154.05786	0.7
155.06998	1.1
157.10083	1.2
159.04393	0.9
159.08041	2.6
159.11678	2.7
161.05948	5.4
161.09550	4.3
161.13271	1.2
162.06668	1.1
163.03891	1.1
163.07359	0.8
163.11115	0.7
165.05438	6.7
165.06873	1.8
167.07002	7.7
167.08438	1.3
169.06416	0.5
171.06519	2.3
171.11642	0.8
173.13188	1.2
174.06723	0.8
175.07460	1.2
177.05423	2.8
177.06857	0.7
177.12721	0.7
178.07729	2.2
179.08499	2.0
180.07759	1.3
181.04932	27.0
181.06357	1.7
181.08409	0.6
182.07248	1.1
183.08005	1.1
184.05176	1.1
189.09106	1.2
191.06973	1.4
193.04880	2.3
193.06509	1.0
194.07285	0.9
195.08014	5.0
197.05975	0.9
197.09566	1.1
206.07336	0.9
207.06410	1.2
207.08087	0.8
208.07245	3.5
209.06038	0.9
209.09631	0.7
210.06671	3.6
210.10201	0.6
211.07495	3.6
212.08344	3.3
213.09099	1.3
219.08058	0.8
219.10080	0.7
221.05930	2.3
221.09645	4.0
222.06609	0.8
222.10352	1.4
223.07471	5.5
223.11087	0.8
224.08217	2.5
225.07445	3.0
225.09398	4.8
226.08212	0.9
227.06985	4.7
227.10664	2.2
234.06631	2.8
235.07486	2.7
237.05405	1.1
237.09013	3.8
238.06235	4.2
238.09764	4.7
239.07019	4.3
239.10641	2.6
240.07750	12.8
241.08496	3.5
248.08281	1.0
249.05331	0.9
249.09183	2.1
249.11269	1.2
251.07024	4.6
251.10590	1.3
252.07716	3.9
253.08513	23.6
253.12157	8.4
254.09346	4.2
255.06432	3.1
255.10072	7.0
255.23140	1.0
257.07953	3.6
257.11792	0.9
263.06845	1.0
264.07614	0.9
265.08478	3.0
266.09225	5.9
267.06296	0.9
267.10022	3.1
268.07211	3.6
269.08044	6.2
270.08868	4.2
270.12350	0.9
271.13254	0.9
277.08566	0.9
278.09372	0.8
279.06464	1.3
279.10037	2.5
280.07446	0.8
281.08026	6.8
281.11621	8.1
282.08798	3.5
283.06461	1.0
283.09537	11.3
284.10333	4.6
285.07745	1.1
285.11142	6.2
285.14801	3.3
287.05490	1.2
293.08035	0.6
294.08844	1.3
294.12045	0.6
295.09598	4.7
296.10269	2.4
297.07770	1.1
297.11166	2.4
298.08575	1.2
298.11896	4.9
299.12631	9.2
300.09769	1.1
301.10550	0.8
309.11148	11.1
310.11932	3.5
311.09241	1.0
311.12692	2.1
313.06995	0.7
313.10590	15.1
313.14246	6.4
325.10730	1.2
326.11343	2.6
327.12195	27.4
328.13007	2.2
331.15320	4.4
339.12061	1.0
341.13742	4.2
353.14075	0.6
357.13358	4.0
359.14804	100.0
360.15305	2.4
371.14700	6.0
372.15649	0.9
389.15985	1.3
399.32471	2.7
417.33661	1.3
458.48242	0.6
503.16553	1.2
535.19550	0.9
615.34290	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	615.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.1
53.03925	0.1
55.05499	0.2
57.03421	0.1
64.33572	0.1
65.03915	1.0
67.05484	0.2
69.03400	0.4
69.07051	0.5
71.04953	0.2
75.26065	0.1
78.33559	0.1
79.05473	0.2
81.03406	0.8
81.07038	0.4
83.04959	0.1
83.08590	0.1
85.02885	0.2
89.84464	0.1
91.05459	6.1
93.06989	0.1
95.04921	0.2
95.08548	0.2
97.02855	1.1
99.03542	0.1
99.04417	0.2
105.03367	0.7
105.06997	0.2
106.03735	0.1
107.04942	0.2
107.08579	0.1
109.02860	1.1
109.10146	0.2
119.04918	16.2
119.08598	0.1
120.05218	0.1
121.10087	0.1
127.03901	0.6
133.06403	0.1
133.76398	0.1
137.05975	0.2
139.81647	0.1
147.04385	100.0
148.04749	0.7
153.12881	0.1
159.70589	0.1
161.13248	0.1
163.03911	0.1
164.23302	0.1
165.05460	0.5
165.09138	0.1
167.06993	0.5
177.05394	0.1
255.19458	0.2
287.05447	0.4
309.09619	6.6
361.02234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.3
55.01853	4.7
55.05265	1.6
55.05505	27.4
57.03429	25.4
57.07052	6.0
67.05493	61.2
69.03419	1.4
69.07053	26.4
71.04958	4.5
79.05471	29.1
79.05907	2.1
81.03397	100.0
81.07035	64.4
81.07406	1.4
82.73090	1.0
83.04956	8.1
83.08605	30.2
85.06531	4.5
87.04443	1.1
89.06007	9.0
91.05455	31.5
92.09053	1.8
93.07021	22.5
95.04941	28.6
95.08579	51.1
97.02837	1.4
97.06485	7.4
97.10130	10.3
105.07012	22.2
107.04922	7.7
107.08571	13.1
109.06489	1.9
109.10139	17.7
111.08043	6.7
111.08717	1.0
115.05418	1.5
117.07015	2.3
119.08551	21.5
121.06474	4.3
121.10135	15.1
123.07995	2.0
123.11669	8.5
125.09604	1.6
129.07016	9.8
131.08537	12.3
133.06447	4.4
133.08598	1.4
133.10139	11.8
135.11658	6.2
137.13205	1.3
142.07779	4.0
143.08549	1.5
145.10097	5.1
147.07993	6.2
147.11656	13.9
149.09593	6.2
149.13211	1.5
157.10124	11.4
159.11646	1.2
161.13249	4.7
163.11121	1.7
165.12738	2.6
169.10141	1.3
175.11150	8.3
175.14742	2.1
193.12190	19.7
209.13409	1.1
211.13255	1.7
245.22513	2.1
249.14827	2.6
263.23511	1.6
267.15845	78.6
307.26550	1.0
337.27283	62.4
405.35257	1.4
415.24808	2.0
437.34018	1.5
455.35159	4.8
529.38733	65.8
547.39856	35.6
561.41388	1.7
630.94708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39851	1.5
52.98844	1.7
53.00270	1.7
53.03934	4.6
55.01854	2.5
55.05507	29.0
56.01616	1.6
57.03428	31.2
57.07061	9.8
59.19206	1.6
65.03896	2.0
65.57715	1.9
67.05490	71.6
69.03409	2.1
69.07056	32.3
69.99738	1.5
71.04976	3.6
71.08611	1.9
79.05466	31.6
81.03397	100.0
81.07035	81.4
83.04965	13.0
83.08593	25.4
85.06528	8.4
89.06006	13.2
91.05446	34.9
92.08891	11.2
93.07019	31.6
95.04950	28.7
95.08582	51.2
97.06484	3.5
97.10162	14.3
105.07001	24.5
107.04934	8.3
107.08575	18.2
109.06503	4.0
109.10129	28.5
111.08062	9.5
119.08569	26.9
121.06502	3.5
121.10142	22.4
123.08038	4.7
123.11683	10.2
125.05985	3.9
129.06978	13.2
131.08533	16.1
133.06499	2.5
133.08551	3.1
133.10114	13.1
135.11678	4.2
137.09575	4.0
142.07730	2.8
143.08559	4.6
145.10098	8.6
147.08058	2.0
147.11661	12.3
149.09599	4.0
149.13293	3.5
151.11118	2.0
157.10085	14.4
159.11740	3.9
161.13260	3.8
163.11111	3.0
171.95876	2.1
175.11165	11.6
179.14436	1.9
185.54643	2.0
193.12210	21.4
245.22876	2.0
257.33594	2.2
263.05594	2.2
263.23694	2.4
267.15839	75.0
337.27319	61.8
337.31046	2.2
355.28455	2.2
415.25174	3.9
455.35208	3.2
529.30701	2.7
529.38672	64.5
535.01251	2.3
547.39880	35.6
614.39795	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72209	2.0
53.00296	2.6
53.03923	5.4
53.77748	2.1
55.01867	6.0
55.05501	57.6
57.03428	30.3
57.07056	3.1
59.71340	2.4
65.03924	3.0
67.05492	91.2
69.03404	12.1
69.07049	29.9
71.04967	6.4
71.08624	18.2
79.05049	4.6
79.05472	85.9
81.03395	73.6
81.07035	100.0
83.04975	33.9
83.08607	38.8
85.02887	31.8
85.06512	4.1
91.04887	3.6
91.05456	91.8
92.08893	5.9
93.07024	81.2
93.07549	3.4
95.04948	46.8
95.08582	48.0
97.06486	15.5
97.10152	14.9
99.08053	14.0
105.07016	62.1
107.04918	15.3
107.08582	37.0
109.06499	11.8
109.10149	14.6
111.08051	15.9
117.00330	2.6
117.06987	14.3
119.08563	43.8
121.10131	23.9
123.08023	5.3
125.09589	10.6
129.06990	28.5
131.08553	26.9
133.10117	32.1
135.07983	4.7
135.11635	10.3
139.11208	4.6
145.10078	13.4
147.11729	21.5
149.09593	11.7
149.13258	6.6
151.11122	26.0
157.10094	14.7
159.11613	10.2
161.13203	4.1
163.11147	10.9
175.11121	13.0
178.07672	3.1
179.14201	3.0
187.14717	3.1
189.11475	3.2
193.12222	35.2
211.13246	33.7
227.12727	6.3
251.38083	3.5
267.15833	11.6
269.17401	12.9
277.21536	17.8
285.16922	36.3
351.24988	21.4
385.13855	2.9
456.24374	3.3
461.28937	13.1
479.29913	69.2
557.91766	2.9
561.37665	15.1
573.35327	5.3
591.35144	4.5
615.34271	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	614.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03941	3.6
55.01868	0.4
55.05506	0.6
56.34132	0.3
57.03424	1.5
61.02912	0.4
67.05486	1.4
69.03417	7.2
69.07047	2.6
71.04983	0.6
73.02912	0.3
77.03917	0.4
79.05478	5.9
81.03402	14.3
81.07045	3.0
83.08620	0.4
85.02891	8.5
85.06535	0.5
91.05464	0.3
92.08996	0.4
93.07037	1.2
95.04955	6.0
95.08585	6.1
97.02874	9.4
97.06519	0.3
97.77547	0.3
99.04440	2.0
105.03377	100.0
105.07005	0.6
107.08556	0.6
109.02865	9.0
109.10130	1.5
113.04614	0.2
117.05454	0.3
119.08591	1.1
121.10101	0.3
123.03523	0.5
123.04404	9.9
123.11722	0.3
127.03898	5.9
131.08582	0.3
131.20546	0.2
133.10121	0.4
134.54652	0.3
145.04976	1.6
145.10127	0.3
147.11650	0.3
149.13268	0.4
169.15881	0.4
181.15813	0.3
230.03659	0.2
231.06538	1.1
249.07527	18.4
267.08582	19.1
293.67575	0.3
331.20987	0.4
336.10349	0.3
444.61356	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	0.5
53.03931	4.1
55.01861	0.5
55.05496	0.9
57.03418	1.8
57.07063	0.4
59.04989	0.9
61.02934	0.4
63.20662	0.3
65.03910	0.5
67.05484	2.3
69.03421	8.7
69.07040	0.6
71.04974	5.2
75.04034	0.3
75.28816	0.3
79.05474	8.4
81.03398	17.4
81.06588	0.7
81.07037	10.7
83.04978	0.7
85.02894	9.1
85.06512	0.9
91.05468	2.7
93.07020	3.5
95.04954	7.6
95.08562	2.8
97.02864	10.8
97.06495	0.9
99.04442	3.4
103.05456	0.5
105.03372	100.0
105.06983	3.9
106.03669	0.6
107.04945	6.4
107.08585	4.1
109.02852	9.2
109.06500	2.6
109.10150	3.2
111.08002	0.4
117.05547	0.5
117.07006	0.4
119.04906	2.8
119.08549	1.6
121.06457	0.7
121.10129	2.1
123.04399	10.7
123.08020	0.4
123.11685	5.0
125.05944	0.8
127.03889	7.1
129.07016	0.4
131.08539	0.8
133.06441	0.6
133.10132	3.4
135.08041	2.5
135.11719	0.8
137.05980	1.8
137.09589	0.7
145.02814	0.7
145.04974	1.7
145.06374	0.6
145.10126	0.9
147.04387	7.8
147.11685	1.5
149.06032	0.4
149.09570	0.4
151.11177	9.3
157.10152	0.5
159.11647	0.6
163.07487	1.7
167.07033	3.5
169.12216	1.5
171.11679	0.7
175.11171	0.5
177.05423	1.8
195.10139	4.1
196.10442	0.9
210.73796	0.4
231.06520	0.9
249.07530	21.2
257.11914	0.5
257.75604	0.4
267.08572	24.0
268.09204	0.4
301.14261	0.9
351.13315	0.6
435.27075	0.8
614.28186	0.6
615.20331	0.4
619.97418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.1
53.03936	3.7
53.36833	0.1
54.06633	0.1
55.01855	0.3
55.05502	0.2
57.03430	1.0
59.67382	0.1
61.02915	0.2
67.05480	0.3
69.03413	6.9
69.07050	1.9
70.28378	0.1
71.04966	0.7
73.02892	0.3
76.15613	0.1
77.03909	0.5
79.05469	4.9
81.03395	16.8
81.07028	0.6
83.04957	0.3
85.02882	7.5
87.04452	0.1
89.37722	0.1
91.05456	0.2
91.19506	0.2
92.08832	0.9
93.06995	0.2
95.04941	5.0
95.08575	0.2
97.02866	9.7
99.04426	2.1
105.03368	100.0
106.03688	0.3
107.08546	0.2
108.04369	0.2
109.02857	9.5
109.03609	0.3
109.06513	0.2
109.10143	0.3
119.08559	0.2
123.04397	8.9
123.11668	0.7
127.03891	6.7
131.08530	0.2
133.10072	0.2
144.06584	0.2
145.04939	1.6
147.04362	0.2
151.11153	0.5
156.06519	0.3
165.05453	0.2
198.41206	0.1
231.06494	0.9
249.07515	20.5
250.07768	0.3
267.08560	17.5
268.08875	0.3
326.24078	0.1
340.70468	0.1
410.14355	0.1
417.19604	0.1
428.15540	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	614.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.3
53.03941	4.2
55.01864	0.7
55.05503	0.5
57.03423	0.6
66.24682	0.3
67.05488	1.5
69.03417	6.9
69.62109	0.3
71.04966	1.5
79.05480	5.1
81.03403	15.3
81.07033	0.8
83.04979	0.5
85.02895	7.7
91.05458	0.7
92.08961	0.5
93.07007	1.5
95.04952	5.9
95.08575	1.2
97.02872	11.6
97.06532	0.3
99.04462	2.3
105.03378	100.0
105.41448	0.3
106.03720	0.6
107.08585	0.7
108.25767	0.3
109.02863	8.8
109.06490	0.5
109.10144	0.7
119.08572	1.2
121.10194	0.4
123.04414	7.5
125.09625	0.3
126.05537	0.5
127.03904	7.5
133.10100	0.8
137.05962	0.5
143.08603	0.3
145.04947	1.4
145.10117	0.4
147.04384	0.4
149.09625	0.4
175.48515	0.3
177.05386	0.4
249.07533	18.4
267.08582	17.3
357.19037	0.3
493.98181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66753	0.2
53.03935	0.3
54.81747	0.2
55.01858	0.5
56.94033	0.2
61.02868	0.2
63.73457	0.2
65.03922	0.3
67.05472	0.5
69.03402	0.8
78.04693	0.4
79.05457	1.2
80.44572	0.2
81.03383	0.9
81.07016	1.1
83.04955	0.3
85.02906	1.6
91.05435	1.0
92.09055	0.2
93.03352	0.3
93.07018	1.4
95.04945	1.3
95.08570	0.3
97.02857	1.2
97.06493	0.3
98.97568	0.2
103.05424	0.4
105.03377	4.7
105.06992	1.2
106.04166	0.5
107.04916	1.2
107.08554	0.9
109.06508	0.3
109.10147	0.4
110.03648	0.4
111.04411	0.2
115.05441	1.7
116.98625	0.3
117.06989	3.9
119.08543	1.1
121.10120	1.0
123.04414	3.4
123.08053	0.3
124.05161	1.4
124.28942	0.2
125.05978	0.3
127.03907	0.2
127.05372	0.3
135.08014	0.3
135.61581	0.2
137.05956	0.3
137.09590	0.3
139.03928	0.3
144.05685	0.3
145.06477	8.6
145.10065	0.2
147.08029	0.3
147.11671	0.5
151.03870	0.5
152.04659	1.1
153.05344	0.3
155.06003	2.1
159.11649	0.3
161.05865	0.2
163.03868	0.2
165.09061	0.2
167.07002	100.0
168.07306	0.4
171.06480	1.0
173.05952	17.7
175.07536	0.3
177.05455	0.2
181.04921	19.1
190.06204	0.2
190.51993	0.2
191.06856	0.2
201.05444	0.8
203.07045	0.3
205.08572	3.8
213.05487	0.3
219.17314	0.3
231.06425	0.4
233.08043	5.8
235.09531	3.0
237.18417	0.4
259.05966	0.4
259.08521	0.3
267.08734	0.2
287.05502	0.4
288.05878	0.5
289.05991	0.4
290.06259	0.2
369.13055	0.2
387.14261	4.7
402.12955	0.3
406.17340	0.9
417.15363	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17136	0.4
53.03941	0.6
55.01858	0.8
57.03417	0.4
65.03931	3.3
67.05482	2.1
68.70968	0.3
69.03409	2.5
69.07027	0.4
71.04974	2.0
71.91293	0.4
76.56750	0.5
79.05051	0.6
79.05474	12.4
81.03403	4.7
81.07025	2.2
82.04166	1.0
85.02896	5.0
85.06554	0.4
91.05452	3.3
92.09171	0.6
93.03376	1.6
93.06996	1.6
95.04958	3.1
95.08576	0.8
97.02854	0.7
97.06492	2.0
99.04383	0.5
103.05436	1.6
103.53310	0.4
105.03352	3.2
105.07007	2.2
106.04213	0.5
107.04937	45.3
107.08573	1.7
109.06513	1.0
109.10146	0.7
110.03648	2.0
111.04411	1.9
115.05441	3.4
117.06994	6.4
119.04865	0.5
119.08566	0.9
121.06472	1.6
121.10072	0.6
123.04399	2.7
123.08004	0.5
124.05185	5.9
125.05984	4.4
127.03850	0.5
128.06204	0.7
129.06987	3.0
131.04927	1.7
131.08548	1.7
133.06485	4.0
133.10098	0.7
135.04390	0.5
136.22279	0.4
137.05942	1.9
138.03113	0.9
141.06964	2.1
142.02586	1.7
143.04907	1.9
144.05711	3.1
145.02826	0.7
145.06479	14.6
145.10100	0.4
147.04424	0.7
147.08052	0.9
149.05946	0.9
151.07475	0.6
152.04645	2.8
153.05440	3.0
155.04872	1.6
155.06033	2.4
156.05742	0.9
157.06442	4.7
159.04399	0.6
159.07991	3.0
160.05168	0.7
160.08817	0.5
161.05956	8.2
163.03932	0.6
165.05482	0.5
166.02640	0.6
167.07002	100.0
169.06389	0.4
170.03644	0.5
171.04314	0.6
171.06514	6.0
172.05173	3.5
173.05930	9.5
174.06674	0.8
175.07492	5.0
177.05438	2.0
177.08997	0.7
180.04083	0.4
181.04922	88.2
183.04405	1.0
183.06459	0.7
184.05110	0.5
185.05951	2.0
186.03085	0.5
187.07483	7.8
189.05415	5.8
190.06255	3.5
191.07040	1.6
191.10635	2.5
193.04982	0.6
193.08575	0.5
195.06512	5.6
200.04716	2.1
201.05420	10.0
203.06934	4.1
205.08578	9.5
206.05714	3.7
207.06497	0.8
207.10178	1.7
213.05432	1.9
217.08562	2.5
218.05705	9.0
218.09222	0.5
219.06430	4.3
219.10126	1.5
221.08032	9.5
231.06465	2.2
233.08025	46.1
234.06580	0.6
235.07489	1.1
235.09610	17.6
237.18529	0.5
245.08105	4.8
246.06815	0.5
247.07457	0.8
251.09085	15.1
262.06415	0.5
263.06927	1.3
263.09152	13.2
264.07874	0.9
274.05963	0.5
277.08588	0.6
279.06610	0.8
279.09900	1.3
280.07254	0.7
281.07562	0.6
281.10327	4.8
291.06616	0.5
292.07306	1.5
293.07953	0.7
295.09540	1.6
303.05026	2.6
304.05188	3.7
305.05527	3.5
306.05771	1.8
306.08862	0.4
307.09634	2.6
309.07541	0.9
323.09174	1.8
324.09641	0.6
327.11908	0.5
331.07944	3.9
335.09003	0.6
337.07071	1.5
337.10748	0.9
339.12292	2.0
346.10385	0.8
355.11658	3.4
356.12466	0.6
367.11789	2.2
368.12381	1.6
371.14832	1.7
372.11996	1.8
381.13162	0.8
384.11902	2.0
387.14282	5.1
399.14383	7.0
405.15720	0.9
417.15344	71.9
418.15668	0.7
421.87628	0.4
435.16443	20.3
580.33105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4821
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
54.81393	3.0
55.05505	27.7
57.03428	7.5
57.07063	4.6
67.05492	86.2
69.07063	28.9
75.65323	2.7
79.05476	47.5
81.07038	81.8
83.08601	7.0
91.05463	31.1
91.38566	2.8
93.07025	50.4
94.49786	2.6
95.08590	58.9
97.06500	3.3
97.10148	3.4
101.12708	2.9
105.07016	36.4
107.08585	32.5
109.10165	34.1
117.07017	12.9
119.08562	33.3
121.10142	27.6
123.11700	7.4
129.06996	6.0
131.08546	24.0
133.10086	24.1
135.11710	21.4
143.08586	7.0
145.10121	32.2
147.11681	19.0
149.13245	7.6
157.10063	6.0
159.11720	6.3
161.13252	7.2
171.11649	7.2
173.13243	13.5
175.14882	3.4
187.14824	6.2
189.16435	3.7
243.90636	3.0
259.20459	12.4
261.22058	7.0
333.24350	3.9
335.25702	11.5
337.27258	4.9
358.54932	3.5
521.43750	7.0
578.42761	3.4
595.47058	16.8
613.48138	100.0
630.45239	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	613.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03479	0.9
55.05497	6.3
55.08394	1.2
56.70743	1.0
56.96554	36.6
57.21846	1.2
59.04904	1.2
66.90774	1.2
67.05482	8.7
71.95241	1.4
72.96031	1.8
78.81433	1.1
79.05462	10.2
81.03403	5.1
81.07063	8.9
83.04961	1.8
84.96013	6.3
91.05463	6.7
92.08619	2.3
92.09170	4.1
93.07023	7.2
95.04939	1.6
95.08585	2.9
97.06507	1.7
97.10173	1.8
98.97555	86.9
105.07006	6.7
107.08582	6.4
109.10130	1.9
110.97583	2.2
112.99104	25.3
116.85527	1.4
116.98599	65.5
117.98981	1.4
119.04916	2.0
119.08541	2.3
121.10123	5.4
123.11694	1.5
128.98573	10.6
131.00142	46.1
131.01053	2.4
131.08525	1.5
131.90604	1.4
133.10126	2.0
134.99603	32.8
135.11610	1.5
140.00175	1.5
143.00137	9.1
146.99655	9.0
147.04367	6.3
147.11618	1.9
147.41241	1.2
149.01187	60.6
153.00716	3.0
158.99635	29.6
159.11597	1.4
161.01154	15.9
165.00883	1.3
167.02225	13.2
170.99588	2.5
173.01164	6.4
175.02858	1.6
177.00655	55.0
179.02203	3.2
180.76773	1.2
185.01198	5.6
189.00688	1.9
191.02278	9.8
193.12256	1.4
195.01718	7.0
199.02742	8.6
203.02173	5.7
215.02208	2.8
217.03813	7.1
219.01779	6.2
227.02205	2.9
227.12727	1.8
233.03331	5.6
237.02774	5.6
255.03581	1.8
267.15793	2.2
275.04352	8.2
293.05356	36.8
311.06473	8.2
316.07022	2.3
317.17773	100.0
335.18802	48.5
350.24695	1.4
353.20059	1.7
358.20474	3.0
377.19864	7.3
391.21243	1.7
480.29919	1.6
496.24051	1.3
497.23972	3.1
542.35046	1.9
547.33575	1.8
553.26721	67.5
559.35809	1.8
589.33936	11.5
590.34308	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	613.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.5
55.05486	8.6
56.06663	2.0
57.03415	2.6
62.88713	1.6
67.05505	15.8
69.07050	4.2
79.05462	15.4
81.03383	3.5
81.07034	20.0
82.07389	2.0
83.04942	4.9
83.08600	3.2
85.02892	2.2
91.05463	15.1
93.07016	14.9
95.04937	9.9
95.08582	3.8
105.07003	10.5
107.08570	10.0
117.06989	2.7
119.04971	2.0
119.08532	9.4
121.10114	4.5
131.08592	2.4
133.10147	3.6
136.09883	2.0
146.09695	2.1
147.11728	3.1
157.10120	2.4
163.11121	3.6
208.72214	1.9
243.19165	2.1
248.15605	2.4
283.15350	2.3
293.21039	4.1
327.20892	2.0
352.25430	2.5
395.18527	4.8
396.19235	7.9
409.16003	2.5
410.20847	2.6
424.18872	4.1
437.15433	2.9
439.21338	6.9
451.17084	4.7
466.19641	9.3
477.28314	7.4
478.28409	9.3
479.20062	2.5
525.24542	12.4
553.24463	28.0
610.64984	2.2
613.26105	100.0
613.33643	7.3
621.48859	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	613.2289
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
53.03918	0.9
55.01847	0.8
62.52544	0.2
65.03907	2.3
67.05470	1.0
69.03398	0.4
78.04686	2.3
79.05467	1.6
81.03371	0.9
81.07025	0.4
82.04156	0.4
83.30055	0.2
85.02896	1.6
89.51814	0.2
91.05457	5.1
92.08792	0.3
92.09294	0.2
93.03371	0.4
93.06996	0.3
94.04152	0.3
95.04930	1.4
95.08556	0.3
97.02866	0.5
97.06471	0.4
99.04414	0.3
103.05417	1.2
105.03360	1.2
105.07010	1.1
106.04199	1.6
107.04933	2.7
107.23403	0.2
109.02840	0.3
109.06455	0.3
110.03625	1.4
111.04433	0.4
111.13489	0.2
115.05434	4.7
117.03310	0.2
117.06993	7.9
119.04909	7.2
119.08550	0.5
120.05299	1.5
121.02781	0.3
121.06483	0.3
122.03657	1.5
123.04408	7.8
124.05180	2.8
125.05963	1.4
127.03884	0.2
127.05419	0.9
131.04878	0.5
132.05672	0.3
133.06448	0.3
134.03554	0.3
135.04399	0.3
137.02278	0.3
137.05959	16.8
138.03149	0.7
142.02617	0.5
143.04883	0.9
144.05679	0.4
145.02853	0.3
145.06462	15.0
147.04388	14.3
147.08067	0.5
148.04713	5.5
149.04916	1.0
151.03877	2.0
151.07561	0.4
152.04675	2.8
153.01810	0.3
153.05415	1.5
155.04823	0.5
155.05997	4.3
160.05080	0.2
161.05930	0.8
163.03882	0.3
165.01805	0.2
165.05441	0.5
167.07001	100.0
168.07344	0.4
168.24765	0.2
171.06497	1.9
173.05945	21.1
174.06702	0.2
175.07481	1.1
175.91176	0.2
177.05432	0.9
179.07002	0.8
181.04919	27.1
191.06995	0.4
201.05502	0.5
203.07034	0.9
205.08540	4.0
220.07109	0.2
221.07976	0.3
229.04829	0.3
231.06464	0.4
233.08066	3.4
235.09605	2.3
250.05995	0.2
280.07611	0.3
287.05563	0.9
299.09232	0.3
303.04913	3.7
304.05338	2.3
305.05511	1.0
310.08298	0.5
310.31082	0.2
325.10544	0.4
357.13168	2.2
367.11340	0.2
385.12747	6.4
387.09344	0.3
387.14346	8.5
402.42560	0.2
417.15366	17.1
583.21667	1.0
613.22668	21.6
614.24207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67022	0.9
53.00307	1.4
53.03941	2.7
55.01858	2.4
55.05238	1.1
55.05506	30.0
57.03431	25.4
57.07059	2.1
63.94587	1.2
66.86990	1.0
67.05495	65.5
69.03410	1.6
69.07062	17.2
71.04986	2.1
71.08621	1.1
75.41029	1.0
79.05476	54.4
81.03401	100.0
81.07042	79.2
81.07533	2.0
81.28454	1.2
83.04971	4.7
83.08608	19.4
85.06522	1.7
91.05460	42.3
92.08765	1.7
92.09252	1.4
93.07033	51.0
95.04948	28.6
95.08588	49.7
97.02847	1.4
97.06510	4.9
97.10144	5.2
99.08116	1.1
105.07017	32.1
107.04948	8.0
107.08576	29.4
109.06516	4.9
109.10144	18.7
109.31647	1.0
111.04450	1.6
111.08070	7.5
117.07012	7.2
119.08566	25.5
121.06496	4.4
121.10132	26.6
123.07988	1.7
123.11685	4.6
129.06985	12.7
131.08546	23.5
133.06482	1.8
133.10097	16.0
135.08112	1.2
135.11664	13.0
136.11916	1.1
137.05981	1.2
137.09592	2.1
142.07791	2.1
143.08507	4.2
145.10123	11.3
147.08055	4.5
147.11668	15.5
149.09633	7.5
149.13242	5.5
155.08530	1.7
157.10143	11.5
159.11647	8.6
161.13277	5.4
163.14809	2.4
165.12663	1.3
171.11691	2.2
173.13301	4.2
175.11131	8.7
175.14876	1.3
177.12810	1.2
185.13171	2.2
187.14716	1.3
193.12233	19.6
224.95163	1.2
243.20958	4.3
249.14742	1.2
259.20377	1.5
261.22073	13.5
267.13000	2.5
267.15869	69.6
268.15927	1.4
297.01791	1.1
301.25223	1.7
317.24753	1.7
335.25739	59.3
435.32587	2.3
453.33481	4.6
471.34686	1.9
527.37262	43.0
545.38232	27.7
559.39429	2.1
612.27472	2.1
612.46600	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	612.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
54.49363	1.0
55.01854	2.1
55.05266	1.7
55.05502	30.2
57.03423	28.6
57.07067	1.4
60.80274	1.2
65.03907	2.6
67.05486	76.5
69.03398	6.1
69.07044	21.6
69.32201	1.1
70.40239	1.2
71.04976	2.4
79.05469	61.8
81.03392	100.0
81.07031	80.9
83.04952	7.4
83.08598	18.1
84.68390	1.2
85.06490	1.6
91.05459	40.3
92.09137	3.0
93.06409	2.4
93.07011	59.2
95.04942	34.4
95.08575	54.4
97.02879	2.1
97.06492	8.4
97.10124	6.8
105.07000	35.5
107.04927	7.9
107.08565	30.2
109.06480	7.8
109.10110	19.1
111.08040	5.6
117.06987	9.3
119.08555	29.0
121.06433	2.6
121.10122	27.0
123.08019	2.2
123.11684	6.1
125.09554	2.5
129.06961	11.4
131.08537	22.4
133.06496	2.2
133.10097	16.3
135.08073	1.9
135.11667	13.0
137.09608	5.9
137.13266	2.2
139.52824	1.5
142.07742	1.7
145.10086	9.1
145.18565	1.5
147.08035	1.8
147.11641	13.4
149.09537	2.9
149.13210	6.8
157.10130	11.5
159.11639	5.2
161.13184	5.5
165.12657	1.9
173.13220	5.4
175.11163	7.3
175.14790	2.5
187.14825	1.8
193.12195	18.7
216.48138	1.4
227.12529	1.8
240.66640	1.6
243.21069	2.0
261.22174	16.0
267.15839	64.9
317.24542	2.0
335.25717	66.9
453.33295	6.2
510.17343	1.7
527.37238	39.2
545.38226	22.5
620.68811	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
54.58030	0.8
55.01856	3.9
55.05505	27.5
57.03178	1.5
57.03432	26.6
57.07074	2.6
60.84682	0.9
62.76073	1.0
65.03909	4.3
65.04230	1.0
67.05141	2.4
67.05492	64.2
67.05852	2.4
69.03412	2.1
69.07060	15.9
71.04990	3.9
71.90040	0.9
79.05474	55.5
81.03400	100.0
81.07037	73.0
82.07355	1.5
83.04961	6.1
83.08595	23.8
87.04426	1.1
88.56934	0.9
91.05455	41.9
92.08707	2.3
93.07022	55.2
95.04947	29.8
95.05519	1.9
95.08585	53.3
97.02877	1.2
97.06509	6.3
97.10142	8.3
99.08083	1.4
105.07010	34.4
107.04948	7.7
107.08582	27.6
109.06551	3.9
109.10140	22.0
109.44901	1.1
111.08055	7.4
114.78133	0.9
115.05400	1.4
117.06996	10.8
119.08549	30.7
120.08889	1.3
121.06460	2.1
121.10117	18.6
123.08071	4.9
123.11675	6.3
125.09595	2.4
129.06985	15.9
131.08545	25.1
133.06459	2.0
133.10100	16.8
135.11633	10.2
137.09602	2.2
142.07765	2.6
143.08572	4.3
145.10123	13.4
147.08047	5.2
147.11688	14.5
149.09642	6.3
149.13237	5.7
157.10091	13.1
159.11658	7.1
161.13199	6.7
163.14824	1.5
171.11696	2.3
173.13219	6.6
175.11119	10.2
185.13193	1.3
187.14975	1.4
189.11290	2.2
193.12177	17.1
197.13080	1.1
206.56912	1.3
208.24753	1.1
227.12746	1.7
243.21043	2.1
261.21979	10.2
267.15854	66.9
301.25320	1.7
317.24878	1.9
333.24002	1.4
335.25726	55.3
336.26212	2.0
405.24146	1.1
435.32590	4.1
453.33450	5.0
471.34460	2.2
475.30133	1.8
527.37201	45.6
545.38208	28.3
559.39526	1.8
611.45551	1.4
612.46588	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	612.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.6
55.01867	15.4
55.05505	46.9
56.96552	3.1
57.03432	32.0
57.90708	2.1
60.49214	1.9
65.03915	2.5
67.05146	3.2
67.05489	83.7
69.03403	5.3
69.07056	40.0
71.01295	2.0
71.04961	12.5
79.05476	83.6
81.03399	68.9
81.07036	100.0
83.04560	2.0
83.04971	26.5
83.08603	22.0
85.02897	23.4
85.06493	2.5
91.05456	86.5
92.08859	9.5
93.07021	82.5
95.04946	41.2
95.08586	40.5
96.08210	1.9
97.06493	11.9
97.10141	11.6
97.12579	2.1
99.08044	2.2
105.04471	2.6
105.07013	67.7
107.04948	19.0
107.08572	40.1
109.06479	12.0
109.10134	14.8
111.08047	14.5
112.98099	2.2
113.06004	2.6
117.06969	20.6
119.08563	48.5
121.06464	5.1
121.10134	26.5
123.08046	8.2
123.11729	2.9
125.09601	2.7
129.06967	17.9
131.08540	31.6
133.06470	4.0
133.10091	35.0
134.99532	2.8
135.07999	5.0
135.11655	17.5
139.58240	2.1
142.07770	3.6
143.08531	4.1
145.10129	21.2
147.08055	4.4
147.11664	27.1
148.24911	1.9
149.09598	19.6
149.13258	13.3
157.10088	14.1
159.11681	8.4
163.11171	9.4
165.12643	2.9
175.11079	16.3
187.11118	2.2
193.12215	30.0
201.56480	2.3
203.18045	3.3
211.13252	37.4
255.15805	10.8
266.65399	2.8
267.15848	19.2
269.17291	23.8
275.19974	21.1
285.16888	48.8
349.23703	18.4
351.18732	2.2
351.39673	2.3
367.24826	2.9
406.32666	2.1
447.27051	4.5
461.29004	18.3
465.28088	21.1
479.29990	50.3
493.29816	9.0
511.31088	2.8
541.34576	3.2
559.35876	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	612.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	2.2
53.03932	10.1
55.01852	10.2
55.05505	41.2
57.03427	22.7
64.42934	1.5
65.03905	2.4
67.05491	90.7
69.03403	7.3
69.06712	2.3
69.07053	41.1
71.04971	9.8
75.81200	1.7
79.05475	70.6
81.03397	68.1
81.07037	100.0
83.04971	25.5
83.08602	29.3
85.02886	21.4
85.06522	3.9
89.58431	1.7
91.05460	88.0
92.08765	3.3
92.09275	3.5
93.07019	69.4
95.04940	39.6
95.08583	38.3
97.02866	2.3
97.06535	14.7
97.10142	4.1
104.41677	1.7
105.07012	59.5
107.04931	18.7
107.08578	37.2
109.06492	11.2
109.10126	10.1
111.08083	15.1
113.05951	3.9
115.05404	2.9
117.07022	14.5
119.08561	47.3
121.06512	7.2
121.10136	26.6
123.08037	8.7
123.11690	2.8
125.09557	1.9
128.06248	2.1
129.06970	20.3
131.08536	32.9
132.37038	1.9
133.10107	28.5
135.08047	1.9
135.11655	9.9
137.09593	3.7
139.45328	1.7
142.07771	3.4
145.10106	11.0
147.11687	21.9
149.09572	17.3
149.13226	3.7
155.08424	2.1
157.10063	18.3
159.11633	10.6
163.11162	9.5
169.10167	2.5
173.13156	2.3
175.11108	15.7
177.12720	2.2
177.58118	1.9
193.12218	30.8
211.13222	41.1
228.06375	1.8
249.14763	1.9
255.15866	4.3
257.18869	7.3
267.15781	13.9
269.17410	11.7
275.10696	2.1
275.20035	21.1
285.16904	39.7
349.23618	16.3
447.27100	8.2
461.29114	15.6
465.28232	9.2
479.30017	49.4
541.35553	3.0
559.36053	17.4
577.36713	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	612.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01856	3.1
55.05500	16.0
57.03418	5.9
57.07073	2.0
59.04974	2.0
61.02907	22.2
62.03243	1.3
67.05499	18.5
69.03413	22.5
69.07047	15.0
70.06575	2.1
71.04971	14.5
72.55743	1.6
73.02880	8.6
79.05467	21.2
81.03372	11.5
81.07029	45.3
83.04962	40.3
83.08591	2.4
84.89329	1.3
85.02885	61.1
85.06516	6.9
85.55045	1.4
86.03198	1.7
86.09688	2.2
87.04447	6.1
87.05569	1.6
91.03925	9.6
91.05452	25.4
93.07017	52.0
95.04943	46.6
95.08583	31.8
97.02859	20.2
97.06465	11.1
97.10112	1.4
99.04426	3.4
99.08030	5.0
101.05956	2.5
103.05417	1.4
105.03374	7.9
105.05502	1.9
105.07005	70.3
107.04928	2.9
107.08572	54.9
109.02861	7.4
109.06503	12.4
109.10134	28.5
110.05975	1.3
111.08052	5.8
113.05994	2.2
115.05389	1.8
117.06970	10.8
119.04860	1.7
119.08557	43.7
121.02811	7.5
121.06480	6.2
121.10112	21.9
123.08021	9.4
123.11698	2.2
125.09605	10.0
127.03903	7.8
127.07481	2.4
128.06172	6.3
129.06956	9.0
131.08534	33.3
133.10110	35.1
135.08000	6.2
135.11665	10.9
137.05931	1.8
137.09579	9.6
141.06903	1.5
141.09074	2.6
142.07776	10.9
143.08540	23.4
143.10594	4.8
144.09363	7.8
145.04913	7.7
145.10092	25.0
147.04381	2.5
147.08054	1.9
147.11656	22.0
149.09595	8.7
149.13223	6.9
151.11128	2.0
153.01816	7.4
153.12764	1.7
155.08514	2.6
156.09293	3.0
156.47667	1.5
157.10095	31.1
159.10268	3.1
159.11653	44.7
161.09610	6.9
161.13194	7.0
163.11150	3.3
169.09996	2.5
171.11641	9.5
173.13217	11.3
175.11157	6.8
175.14812	6.2
177.12680	2.4
179.10651	2.2
184.12390	1.6
187.11208	1.8
187.14781	2.0
189.12741	1.9
189.16383	12.1
190.89165	1.4
192.72635	1.5
199.14761	26.8
205.15878	2.6
217.15814	37.5
235.16840	35.5
253.17921	7.6
287.05432	91.9
288.05753	100.0
289.05981	7.0
322.14514	1.5
361.20099	1.5
379.20956	5.8
397.21976	2.7
450.80170	1.6
546.16034	1.6
589.76880	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.7
53.03929	7.5
55.01855	9.7
55.05503	24.6
57.03424	11.1
57.07057	2.2
59.04971	6.8
61.02906	12.2
63.55261	1.3
64.47092	1.4
65.30577	1.3
67.05141	1.8
67.05487	43.6
69.03064	2.8
69.03413	38.2
69.07054	27.6
70.06561	3.1
71.04964	18.4
72.08167	1.5
73.02895	5.7
79.05471	58.4
81.03408	17.0
81.07036	92.0
83.01323	1.8
83.04967	52.8
83.08587	3.2
84.08112	2.5
85.02884	69.7
85.06516	24.0
87.04439	7.4
91.03929	3.2
91.05455	51.3
92.64091	2.0
93.07019	87.6
95.04940	37.5
95.08581	55.2
97.02870	22.2
97.06503	43.7
99.04436	9.0
99.08031	2.2
104.63144	1.6
105.03373	13.5
105.05492	3.3
105.07008	100.0
107.04968	2.5
107.07860	3.2
107.08569	75.0
109.02845	9.1
109.06492	30.5
109.10133	48.5
111.08057	10.0
113.05966	3.4
115.05451	3.5
115.49014	1.4
117.06966	21.9
119.04904	2.4
119.08546	72.4
121.02826	7.2
121.06495	11.3
121.10112	39.4
123.04424	2.4
123.08044	11.8
123.11675	8.8
125.05959	9.6
125.09585	6.0
127.03907	14.7
127.07532	8.7
127.11140	2.0
128.04103	1.6
128.06178	9.0
129.06973	14.5
130.07779	2.1
131.08531	43.1
133.06493	3.1
133.10101	73.1
135.08031	10.8
135.11650	13.8
137.05916	2.1
137.09567	18.9
137.13194	2.0
139.11119	2.0
141.09033	3.1
142.07756	17.0
143.08540	39.1
144.09311	6.5
145.04909	14.2
145.06493	6.2
145.10100	38.7
147.04369	2.3
147.08044	6.9
147.11665	46.5
149.09607	15.4
149.13274	10.6
151.11130	7.1
153.09048	3.4
155.05946	1.6
155.08543	2.2
155.10593	2.0
156.09315	2.6
157.10094	48.2
158.10939	3.1
159.10278	2.9
159.11642	47.4
161.09615	21.6
161.13216	9.3
163.11166	3.0
165.12706	2.7
166.04919	1.9
167.06944	2.3
167.10625	6.4
169.10146	3.8
170.10732	1.4
171.10136	7.6
171.11646	14.8
173.13208	13.1
175.11101	7.7
175.14771	8.8
177.05443	2.3
177.12708	6.8
179.10620	11.3
184.12415	2.7
187.14748	8.5
189.05515	2.9
189.12804	2.1
189.16344	19.9
199.14783	48.5
201.16341	2.0
205.15846	3.1
215.14182	1.8
217.04883	1.8
217.13690	1.9
217.15814	59.6
223.80664	1.5
235.16882	59.1
246.77075	1.6
249.07423	2.6
253.18004	10.7
267.08411	1.8
287.05450	8.1
287.09042	1.7
288.05768	9.0
360.85599	1.7
379.20862	3.3
392.67798	1.7
397.22031	10.5
415.23077	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.2
52.00547	0.1
53.03938	3.8
55.01859	0.3
55.05500	0.2
57.03419	0.9
61.02901	0.6
67.05474	0.2
69.03069	0.3
69.03417	7.4
69.07047	0.3
71.04974	1.2
73.02902	0.3
74.19236	0.2
77.03928	0.4
79.05470	4.7
79.18124	0.1
81.03397	14.6
81.07047	0.8
83.04946	0.2
85.02885	7.7
85.06504	0.3
91.05453	3.8
91.39710	0.2
92.08819	1.3
93.07014	0.9
95.04942	6.6
95.08571	0.6
97.00243	0.1
97.02869	8.9
99.00768	0.3
99.04414	2.5
103.03976	0.2
105.03371	100.0
105.06996	0.8
106.03692	0.8
107.04938	0.8
107.08559	0.8
108.04459	0.2
109.02856	8.2
109.10136	0.8
111.08132	0.2
113.75052	0.2
119.04912	11.8
119.08562	0.3
121.10131	0.6
123.03517	0.3
123.04397	9.1
123.08009	0.2
125.09647	0.3
127.03879	5.6
131.08496	0.2
133.06369	0.2
133.10086	0.4
137.05994	0.2
137.09586	0.3
145.02837	0.6
145.04951	1.4
147.04387	36.5
147.11652	0.2
148.04694	0.2
149.02296	0.2
151.11098	0.2
153.12900	0.2
159.11694	0.2
161.41554	0.2
163.03764	0.2
165.05492	0.3
165.08868	0.2
167.07045	0.3
173.09456	0.2
177.05432	0.8
189.05339	0.2
189.55222	0.2
195.07996	0.3
198.06633	0.1
199.58868	0.2
200.21706	0.1
201.02823	0.1
209.12526	0.2
213.09100	3.8
231.06551	0.7
234.13779	0.2
235.16792	0.2
249.07521	15.5
253.17979	0.3
267.08582	12.1
271.18875	0.3
271.50922	0.2
287.05338	0.3
311.11108	0.4
329.12201	0.4
379.24847	0.2
395.11462	0.2
397.25555	0.3
406.29379	0.2
413.11948	0.7
501.37741	0.2
582.19232	0.2
611.96191	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	3.1
53.03926	2.3
55.01866	2.9
55.05508	50.0
57.03434	15.9
57.07068	4.1
61.91531	1.9
61.99474	2.5
62.71976	2.2
65.03928	2.7
67.05151	3.3
67.05498	98.2
69.07059	38.1
71.04982	2.6
71.99258	2.4
73.36324	1.9
79.05473	80.6
81.07043	91.1
83.08593	13.5
85.06530	3.9
91.05447	77.0
92.08971	11.6
93.06491	4.1
93.07032	89.7
95.04958	10.2
95.08592	81.6
97.06502	9.0
97.10149	4.4
99.08111	2.1
105.07022	86.2
107.08588	40.9
109.10162	32.2
117.07005	34.3
117.23382	2.1
119.08562	65.5
121.10112	29.5
123.11639	4.1
125.09575	2.6
128.06134	2.9
129.07001	21.9
131.08554	39.8
133.10115	54.9
135.11670	17.4
135.12579	2.1
137.36839	2.2
141.06956	4.4
142.07718	4.4
143.08553	23.7
145.10117	43.0
147.11671	36.5
149.13242	10.3
155.08546	8.2
157.10129	24.2
159.11700	27.9
161.13246	18.0
169.10080	10.3
171.11652	30.5
173.13184	16.7
175.14821	11.8
181.10161	2.6
183.11652	9.0
185.13243	19.5
187.14745	4.3
195.11665	4.2
197.13304	8.7
199.14735	3.4
201.16423	4.8
211.14600	6.5
213.16310	3.5
215.17908	3.3
223.14822	3.2
225.16278	3.2
234.45883	2.5
241.19453	11.4
257.19006	3.8
259.20581	27.5
261.21988	2.8
296.22217	2.5
313.48242	2.6
333.24133	20.9
335.25711	29.8
349.23395	2.4
371.06534	2.6
519.41895	3.8
565.63940	2.6
593.45093	8.8
611.37164	3.9
611.46625	100.0
612.46436	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	611.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18805	0.2
54.69062	0.2
57.69336	0.2
60.80431	0.2
68.51717	0.2
72.58627	0.2
74.02425	0.5
85.02885	0.3
86.09697	0.2
91.36836	0.2
92.09234	0.3
115.05434	0.3
117.05687	0.3
117.07018	0.5
118.06528	17.5
121.02799	0.2
130.06528	1.7
130.84862	0.2
132.08078	5.4
132.17598	0.2
142.06525	2.1
143.07280	2.3
144.04437	0.6
144.08070	15.1
144.16031	0.2
146.05992	79.4
147.06381	0.6
159.09145	7.4
160.07565	1.5
170.05980	5.2
188.07036	100.0
189.07323	1.3
205.09700	30.8
206.09981	0.5
305.88757	0.3
413.03497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1606
Annotation	Quercetin 3-robinobioside
Peak:m/z	Relative Intensity
51.55349	0.4
53.00274	0.5
53.03928	2.3
54.81391	0.5
55.01849	2.4
55.05268	0.5
55.05509	12.9
56.74213	0.5
57.03423	8.6
59.04987	0.9
61.02911	4.5
65.03935	0.5
67.05476	0.8
69.03073	0.8
69.03417	15.4
69.07027	0.5
71.01324	0.9
71.04978	22.0
73.02894	3.3
75.04449	2.0
79.05464	2.4
81.03400	6.9
81.07040	2.4
83.04966	72.8
85.02889	67.2
85.06520	0.8
85.72364	0.5
87.04456	1.0
91.03934	1.0
91.05457	4.8
92.05790	0.5
92.09152	1.1
93.07030	5.3
94.07339	0.7
95.04970	2.2
95.08591	1.9
97.02866	15.2
97.06503	1.1
99.04449	4.5
101.02380	0.9
101.05987	0.9
105.03370	0.8
105.07005	2.5
105.23206	0.5
107.04942	0.7
107.08557	2.3
109.02853	5.1
109.06498	0.7
109.58609	0.5
111.00779	2.0
111.04433	21.5
115.03921	0.7
119.04924	6.0
119.08555	3.0
121.02834	2.2
121.06441	0.9
121.10097	3.8
122.10466	0.8
123.04371	0.7
125.02392	0.6
125.05972	0.8
127.03897	7.9
129.05464	13.6
131.08524	0.8
133.06496	0.6
133.10118	1.8
134.64403	0.5
135.04419	0.8
137.02316	4.6
140.17392	0.5
143.80151	0.5
143.92493	0.6
145.04965	4.8
145.06473	0.7
145.10086	1.7
146.10385	0.5
147.04398	16.0
147.06496	2.4
149.02362	0.7
149.09525	0.7
151.03773	0.5
153.01765	6.3
159.11665	0.9
161.09552	0.9
163.03885	2.1
163.11136	1.1
165.01796	3.5
167.10471	0.5
173.05966	0.8
173.09578	1.0
179.10519	0.5
182.91183	0.5
183.02847	0.6
201.05490	3.4
229.04955	5.9
247.05867	0.6
251.16434	0.7
255.08575	3.0
257.04330	3.2
285.03986	2.1
287.05408	10.2
303.04935	100.0
304.05316	4.1
315.05008	0.6
320.54193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1606
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03929	0.6
55.01862	0.2
57.03426	1.0
61.02910	1.3
68.99782	0.5
69.03415	3.5
71.04964	0.5
72.90040	0.1
73.02898	0.2
81.03397	1.7
83.01306	0.1
85.02892	8.0
87.04439	0.2
89.13660	0.1
91.03931	0.2
91.05463	0.1
92.08958	0.4
95.04947	0.1
97.02869	3.0
99.04442	0.4
101.37730	0.1
102.86561	0.1
105.03366	1.5
106.03720	0.2
107.04910	0.2
109.02852	1.4
111.00758	1.0
111.04421	0.1
121.02835	2.4
127.03870	1.4
133.02818	0.5
135.04485	0.1
136.07509	0.1
137.02299	0.6
145.04936	0.9
145.06407	0.2
147.04399	0.5
153.01804	3.7
157.06503	0.2
165.01790	2.2
171.04391	0.1
171.61563	0.1
183.02872	1.0
185.05972	0.4
213.05362	1.3
231.06499	0.7
241.04845	0.9
258.05194	1.2
259.05957	0.5
267.08539	0.2
287.05441	100.0
288.05771	1.5
299.05396	0.2
329.06635	0.2
449.10687	12.0
450.10989	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Rutine
Peak:m/z	Relative Intensity
52.31029	0.1
53.03919	0.2
53.61539	0.1
53.74715	0.1
55.01846	0.2
55.05483	0.1
55.37783	0.1
57.03182	0.1
57.03434	2.5
59.04990	0.1
61.02902	0.9
68.99771	0.5
69.03415	2.0
71.01317	0.1
71.04975	12.1
73.02895	0.5
75.04436	0.3
81.03402	1.2
83.01334	0.1
83.04949	0.5
85.02890	16.0
86.08603	0.1
87.04452	0.5
91.03916	0.2
92.08647	0.2
92.09243	0.4
93.03374	0.2
95.04934	0.4
97.02876	1.9
99.04414	0.4
103.53193	0.1
109.02860	1.0
111.00768	1.1
111.04423	0.4
120.63835	0.1
121.02831	1.3
123.04433	0.2
124.77266	0.1
127.03890	0.9
129.05443	1.8
131.04901	0.1
136.07602	0.1
137.01340	0.2
137.02318	3.8
137.03375	0.1
145.04944	0.6
145.10077	0.1
147.06525	0.5
149.02296	0.6
153.01807	4.3
161.05986	0.2
163.03867	0.8
164.07056	0.1
165.01804	2.4
166.02544	0.1
173.05870	0.2
183.02840	1.4
183.04340	0.3
187.03857	0.2
195.02866	0.2
198.89603	0.1
201.05431	1.7
205.04816	0.1
219.02858	0.1
219.06511	0.2
229.04929	4.9
237.03493	0.1
247.06006	0.8
257.04407	3.5
257.06982	0.2
264.12662	0.1
272.93192	0.1
274.04718	0.9
275.05478	0.2
285.03781	1.6
287.05444	3.2
303.04932	100.0
304.05325	1.4
465.10104	0.5
466.84235	0.1
487.98752	0.1
497.36386	0.1
549.13696	0.1
570.45648	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61214	0.1
53.03935	0.2
55.01854	0.1
55.14296	0.1
57.03437	0.6
59.49970	0.1
61.02913	5.5
66.81012	0.1
68.99773	0.5
69.03409	1.6
71.04960	0.2
73.02892	1.5
77.06621	0.1
79.05453	0.1
81.03380	0.6
85.02887	5.9
86.03062	0.1
87.04443	0.1
91.03931	2.1
91.05448	0.1
92.09048	0.1
93.07042	0.1
97.02861	2.9
99.04411	0.3
105.03366	0.8
107.04927	0.4
107.08563	0.1
109.02847	0.5
111.00788	0.6
111.04397	0.1
121.02831	2.4
123.79565	0.1
127.03873	1.1
133.02838	0.5
137.02365	0.6
137.03239	0.1
137.05901	0.1
141.06883	0.1
145.04964	0.8
147.04382	0.5
148.81789	0.1
153.01793	3.4
157.06381	0.3
163.05943	0.3
165.01782	1.7
171.04353	0.2
183.02829	1.0
185.05957	0.5
189.05429	0.2
197.06009	0.1
213.05406	1.3
231.06467	0.9
241.04933	0.9
247.85883	0.1
258.05179	1.3
259.05859	0.4
267.00439	0.1
267.08600	0.1
269.04352	0.1
286.04599	0.1
287.05429	100.0
288.05728	1.1
299.05579	0.1
329.06519	0.2
449.10672	13.7
450.10941	0.1
625.86804	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35777	0.1
53.03926	0.3
53.28169	0.1
53.66163	0.1
55.01858	0.1
55.05489	0.2
57.03418	1.0
57.10755	0.2
61.02914	5.5
68.99785	0.3
69.03134	0.1
69.03422	2.5
69.07049	0.2
70.06564	0.2
71.04974	0.2
73.02895	2.0
79.05469	0.3
81.03416	1.1
81.07040	0.3
83.04970	0.2
85.02888	10.2
86.09682	0.7
91.03931	3.3
91.05441	0.3
92.08823	0.7
93.07020	0.3
95.04911	0.3
95.08575	0.3
97.02872	3.8
99.04402	0.5
101.02355	0.2
105.03374	1.1
105.06994	0.3
107.04916	0.7
107.08603	0.3
109.02855	1.0
109.06456	0.2
110.05994	0.6
111.00798	0.7
115.03936	0.2
119.08609	0.3
120.08086	0.4
121.02828	3.6
121.10172	0.2
127.03886	2.0
131.08527	0.3
133.02800	0.7
133.06493	0.2
133.10081	0.3
135.04323	0.2
135.08086	0.2
135.90804	0.1
137.02325	1.0
145.04951	1.2
145.10141	0.2
147.04398	1.0
147.10277	0.2
153.01805	4.5
157.06429	0.2
157.10075	0.2
161.05988	0.2
163.05951	0.9
165.01775	2.4
171.04341	0.2
183.02872	1.3
185.05833	0.3
189.05377	0.2
213.05423	1.7
229.44550	0.2
231.06477	0.9
233.15240	0.2
241.04860	1.3
241.07164	0.2
251.16304	0.2
258.05109	1.1
259.06018	0.6
279.17212	0.2
287.05435	100.0
288.05768	1.2
299.05472	0.3
303.04941	1.4
353.06836	0.2
449.10822	0.2
611.20691	0.2
618.07690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.2
57.03414	0.6
58.44823	0.1
61.02913	5.9
62.12373	0.1
68.99770	0.5
69.03128	0.1
69.03421	1.5
72.14497	0.1
73.02900	1.3
79.05460	0.2
81.03381	0.6
85.02888	4.4
91.03933	1.9
91.05486	0.1
92.08759	0.4
95.04979	0.1
97.02869	2.1
99.04426	0.4
105.03370	1.7
107.04930	0.4
109.02833	0.5
111.00774	0.9
111.04396	0.1
115.03885	0.1
119.04945	0.2
121.02838	2.9
123.04375	0.1
127.03917	0.9
133.02817	0.5
133.24455	0.1
135.04352	0.1
137.02330	0.8
145.04982	0.4
145.06374	0.2
147.04387	1.1
153.01802	3.3
157.06425	0.5
158.32443	0.1
161.06061	0.1
165.01781	2.2
177.05400	0.2
183.02763	0.8
185.05829	0.4
213.05417	1.5
231.06485	1.0
241.04843	1.3
258.05203	1.3
259.05948	0.5
264.39639	0.1
267.08563	0.1
269.04486	0.2
287.05435	100.0
288.05789	1.4
374.55865	0.1
449.10718	6.9
507.01508	0.1
555.94824	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	Cyanin
Peak:m/z	Relative Intensity
52.31554	0.1
53.03920	0.5
54.81951	0.1
55.01855	0.4
57.03417	0.6
59.74442	0.1
61.02915	1.4
68.99765	0.4
69.03410	2.8
71.04964	0.2
71.69656	0.1
73.02893	0.2
79.05437	0.1
81.03397	1.5
83.01301	0.1
83.04958	0.1
85.02888	6.5
87.04440	0.3
91.03935	0.2
92.08767	0.3
92.09390	0.1
95.04932	0.1
96.31592	0.1
97.02866	2.2
99.04404	0.4
105.03361	1.2
107.04932	0.3
107.08557	0.1
107.85503	0.1
109.02857	1.1
111.00766	0.8
113.08237	0.1
116.80146	0.1
121.02838	2.8
123.04393	0.1
127.03872	1.0
133.02815	0.4
135.04434	0.1
137.02303	0.9
138.89427	0.1
145.04915	0.6
145.06448	0.1
147.04366	0.7
153.01796	3.8
157.06464	0.2
161.05933	0.1
164.24112	0.1
165.01787	1.9
171.04387	0.1
183.02873	1.0
185.05969	0.5
203.06979	0.1
213.05432	1.5
231.06444	0.7
241.04921	0.9
243.06534	0.1
258.05206	1.1
259.06003	0.4
267.08536	0.3
269.04312	0.2
287.05429	100.0
288.05786	0.9
449.10684	6.3
495.91299	0.1
579.62433	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.2
57.03430	0.3
61.02917	0.3
65.03922	1.1
65.59711	0.2
67.05483	0.3
68.99773	0.4
69.03397	0.5
69.07049	0.2
71.04991	0.3
79.05473	0.8
79.39908	0.2
81.03397	0.4
81.07036	0.9
85.02900	1.6
91.04884	0.5
91.05463	14.2
92.09022	0.3
92.26625	0.2
93.07006	0.8
95.04961	0.8
95.08583	1.1
97.02871	0.9
103.05408	0.3
105.03371	2.6
105.06998	0.4
106.03653	0.3
107.04930	1.7
107.08595	0.5
109.02872	0.7
109.10152	0.5
111.00780	1.1
111.08031	0.2
119.04926	39.5
121.02862	0.9
121.10106	0.4
121.76112	0.2
123.04434	0.5
127.03902	1.0
133.06444	0.2
133.10083	0.4
135.04320	0.2
137.02299	2.3
137.05946	0.3
145.10072	0.3
147.04395	100.0
148.04762	0.8
149.02328	0.4
149.06032	0.3
153.01808	5.9
157.06566	0.2
157.10129	0.2
159.04448	0.2
161.05916	0.3
161.84027	0.2
163.03882	0.4
165.01790	1.5
167.07013	1.1
173.05960	0.4
177.05447	0.9
181.05103	0.2
183.02870	0.8
191.03458	0.2
201.05388	1.5
229.04941	3.5
231.06516	0.8
247.05885	0.5
257.04388	2.7
270.19919	0.2
274.04663	1.0
275.05368	0.2
285.04095	1.4
287.05414	1.9
291.08643	0.4
296.33899	0.2
301.03403	0.2
303.04938	57.3
304.05304	0.3
309.09692	1.2
343.04449	1.0
385.14175	0.2
421.09229	2.8
449.08444	1.2
611.29974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1394
Annotation	Helichrysoside
Peak:m/z	Relative Intensity
50.55339	0.1
53.03927	0.3
53.07860	0.1
55.01862	0.2
55.05500	0.2
57.03413	0.3
59.45277	0.1
62.56641	0.2
65.03933	0.6
66.84661	0.1
67.05504	0.2
69.03425	1.6
71.04980	0.2
74.19867	0.2
81.03392	4.4
81.07047	0.4
85.02901	1.2
85.31422	0.2
91.05460	9.7
92.08739	0.4
92.09277	0.3
93.06979	0.3
95.04890	0.2
95.08584	0.4
97.02842	0.7
97.10136	0.2
99.04423	0.3
99.08043	0.2
105.03359	1.8
105.06928	0.2
109.02868	1.6
117.10152	0.2
119.04915	31.9
121.02861	0.3
127.03889	0.8
128.78224	0.2
137.02307	0.9
137.05876	0.2
145.06458	0.2
145.10141	0.2
147.04385	100.0
148.04770	0.2
151.03847	0.3
153.01826	1.0
163.03860	1.1
165.01852	0.3
165.05435	2.2
183.02910	0.3
201.05472	0.4
229.04865	1.2
247.05902	0.2
249.07556	0.2
257.04437	0.7
276.27200	0.2
291.08572	4.2
303.04932	17.1
304.04953	0.2
306.76727	0.2
309.09631	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1391
Annotation	Helichrysoside
Peak:m/z	Relative Intensity
60.58964	0.2
63.39193	0.2
65.03912	0.5
65.74494	0.2
68.99763	0.2
69.03400	0.4
73.02894	0.3
81.03387	0.4
81.07041	0.2
84.62767	0.2
85.02882	0.4
91.05467	8.1
92.08700	0.4
92.09231	0.8
95.04951	0.2
97.02885	0.2
105.03369	0.4
107.08619	0.2
109.02855	0.3
111.00812	0.5
114.37563	0.2
119.04919	30.9
121.02846	0.5
125.88303	0.2
127.43246	0.2
137.02306	2.0
147.04390	100.0
148.04787	0.4
153.01834	2.4
163.03828	0.3
165.01817	1.2
173.06120	0.2
201.05458	0.9
229.04901	2.4
247.06076	0.2
249.07550	0.3
257.04440	1.7
257.65836	0.2
285.03860	1.0
303.04932	40.1
309.09634	4.4
335.49203	0.2
364.69644	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1396
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
53.03926	0.9
55.05490	0.5
55.84153	0.2
57.03429	0.3
57.40355	0.2
63.02322	0.2
63.94682	0.2
64.25518	0.2
67.05482	1.1
68.16679	0.2
68.99763	0.3
69.03411	1.9
69.07033	0.3
69.99957	0.2
70.06581	0.3
71.04971	0.4
73.02909	0.4
79.05479	2.3
81.03406	2.5
81.07021	1.4
85.02892	2.3
85.06509	0.3
89.03895	5.8
91.05463	1.8
92.09087	1.1
93.07020	1.5
94.07351	0.2
95.04950	1.7
95.08566	1.5
97.02885	1.7
97.06500	0.3
97.10119	0.9
99.04411	0.9
103.05422	0.2
105.03374	9.9
105.04464	0.4
105.06998	1.1
105.42608	0.2
106.03713	0.9
107.04940	3.0
107.08559	1.4
109.02866	2.1
109.06460	0.3
109.10127	1.1
111.00768	0.3
117.03360	10.2
119.04903	3.3
119.08527	1.2
120.05177	0.3
121.02854	3.2
121.06507	0.2
121.10139	0.9
123.04398	0.9
125.09599	0.5
125.34241	0.2
127.03893	1.1
129.06935	0.3
131.04933	0.2
131.08563	0.3
133.02806	0.3
133.10043	0.3
134.10399	0.3
134.74184	0.3
135.04391	25.9
135.11641	0.4
137.02303	0.9
145.02826	18.7
145.06415	0.2
145.10091	0.8
147.04388	10.4
147.11591	0.4
148.04742	1.6
149.09612	0.2
153.01825	4.1
157.06468	0.3
157.10048	0.3
159.11623	0.3
161.05893	0.3
161.13223	0.3
163.03870	100.0
164.04216	0.9
165.01736	1.5
167.06996	0.4
177.05424	0.3
181.04832	0.4
183.02849	0.8
212.62161	0.2
213.05421	1.2
216.81822	0.2
231.06436	0.9
241.04948	0.5
249.07506	0.8
250.07747	0.4
258.05246	0.9
259.05923	0.3
265.93301	0.3
267.08508	1.1
269.17395	0.3
287.05432	63.3
288.05731	1.3
325.09116	4.7
329.06564	0.2
364.67023	0.2
377.23517	0.2
382.33215	0.3
399.82123	0.2
602.92059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	20.6
55.05501	22.6
55.92607	2.0
57.03434	18.7
57.07084	2.4
57.36223	1.9
57.52831	1.9
65.33133	2.0
65.77461	2.1
67.01124	1.8
67.05146	3.3
67.05497	90.4
69.07050	18.0
69.99129	1.9
74.51259	1.9
79.05476	55.2
81.03430	2.4
81.06603	3.3
81.07045	77.4
83.04967	43.7
83.08594	9.5
85.06541	3.8
87.04446	4.6
91.05373	22.3
92.09004	18.8
93.07026	69.2
95.04950	3.5
95.08596	41.6
97.06494	14.6
99.04433	4.4
105.07004	16.5
107.04905	2.7
107.08594	41.5
109.06488	3.1
109.10133	22.9
111.04432	100.0
111.08063	27.6
115.03913	15.6
117.07005	10.0
119.08556	19.9
121.06477	5.1
121.10131	38.4
125.05978	9.1
129.07021	3.7
131.01472	2.5
131.08553	13.0
133.10139	4.3
135.11681	42.9
141.82712	2.6
145.10121	29.7
147.11667	9.3
149.09579	9.9
153.12726	41.0
155.08446	3.2
161.13232	2.5
163.11163	63.8
167.05602	2.3
173.09624	14.4
181.12228	54.5
191.10629	41.4
209.11682	21.5
227.12756	40.7
241.14326	3.8
261.22125	3.9
283.15359	18.9
285.00815	3.1
315.17996	67.6
335.25729	90.4
343.20581	2.5
543.35938	3.2
561.37842	11.0
575.39386	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	610.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.3
53.30070	2.9
55.01860	14.3
55.05503	32.5
57.03424	17.4
60.36789	3.0
67.05487	73.8
69.03408	6.0
69.07048	27.6
71.04961	8.3
79.05473	62.5
81.03388	64.5
81.07037	100.0
83.04957	21.4
83.08611	29.6
85.02901	17.8
85.06528	6.4
91.04897	4.2
91.05449	88.2
93.07026	69.8
95.04964	29.3
95.08589	29.5
97.06508	8.3
97.10125	7.0
105.07013	74.5
105.75703	4.0
107.04941	5.9
107.08578	39.8
109.06478	6.4
109.10135	57.7
111.08075	13.3
115.05438	4.7
117.06977	16.0
119.08548	31.1
119.94174	4.1
121.06458	6.1
121.10064	9.1
123.08052	5.6
123.11678	5.8
125.72102	3.8
129.06976	17.2
131.08543	19.3
133.10107	68.6
135.07997	7.0
135.11665	6.1
142.07748	4.1
143.08560	6.7
145.06503	4.2
145.10072	3.8
147.04332	3.8
147.08008	4.0
147.11662	21.6
148.09572	3.9
149.09613	5.5
151.11136	19.4
157.10143	7.7
161.09579	4.5
175.11171	15.2
185.13245	4.4
193.12207	23.6
211.13261	37.5
218.06743	3.7
253.14285	63.0
267.15833	7.6
268.70123	3.4
273.18326	14.3
285.16861	26.5
291.19507	34.5
294.50751	4.2
329.26862	4.9
339.81458	4.1
347.22076	6.5
352.55673	3.5
365.23093	17.2
408.91046	4.8
442.58322	4.6
463.26678	16.0
557.34216	7.0
575.35876	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46667	1.2
53.00279	1.4
53.03928	2.2
55.01862	11.6
55.05505	45.9
57.03421	19.7
59.04976	1.4
64.92515	1.1
67.05141	2.3
67.05488	52.8
69.03426	16.3
69.07056	38.3
71.04958	2.7
72.65501	1.3
75.94155	1.5
79.05473	59.6
80.70998	1.3
81.02933	1.8
81.03400	48.4
81.07035	54.1
83.04971	18.2
83.08605	25.0
85.02887	19.5
85.06505	1.5
87.14780	1.6
91.05454	54.5
92.08871	9.3
93.07021	50.4
95.04948	30.3
95.08582	28.4
97.02859	14.8
97.06490	7.6
97.10152	16.0
105.07008	41.0
107.04927	17.3
107.08570	25.4
109.06502	7.3
109.10139	14.1
111.04403	1.2
111.08044	8.2
111.23045	1.4
116.98521	1.4
117.06994	11.8
119.08544	38.1
121.06488	5.7
121.10123	11.9
121.10841	1.3
123.08063	5.6
123.11611	2.7
125.09602	14.5
128.06058	1.3
129.06958	15.1
131.08534	22.1
133.06441	7.6
133.10115	15.9
134.07291	1.7
135.08000	5.7
135.11652	10.3
137.09612	2.0
142.07735	2.5
143.08560	2.7
145.10103	13.5
147.08038	6.6
147.11636	13.6
149.09570	7.5
155.08447	1.6
157.10121	11.2
159.11630	2.6
161.09526	1.8
163.11124	8.8
165.09035	1.8
165.12683	1.7
171.11609	1.9
175.11034	11.2
180.90163	1.5
193.12187	27.1
211.13231	28.7
223.13228	22.6
227.12701	6.6
249.14806	7.4
267.15762	12.4
269.17297	1.5
273.18402	8.9
275.19958	1.5
283.15408	2.5
285.16849	31.3
291.19476	100.0
365.23160	32.4
477.28357	5.6
527.30139	2.3
545.30969	1.6
557.34375	19.4
569.31036	1.8
575.35706	35.8
587.32172	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	610.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.1
50.04598	0.1
51.02365	0.2
53.03939	3.7
55.01854	0.3
55.05511	0.2
57.03423	0.9
61.02908	0.6
69.03410	7.0
71.04973	0.7
73.02895	0.2
76.56274	0.1
77.03902	0.2
77.36305	0.1
79.05468	4.7
81.03394	14.5
81.07041	0.2
85.02883	7.3
87.04457	0.1
88.00883	0.1
92.08701	0.6
92.09312	0.4
93.06991	0.1
95.04939	6.2
95.08586	0.1
97.02863	10.4
99.04427	2.2
105.03368	100.0
105.06988	0.8
106.03708	0.7
108.04455	0.5
109.02853	9.6
109.03603	0.3
119.08565	0.1
121.10100	0.1
123.04398	8.3
127.03886	6.9
132.94754	0.1
133.06459	1.2
137.05952	1.0
145.02844	0.3
145.04948	1.8
156.06552	0.2
165.09079	1.5
177.05438	0.3
201.05429	0.1
231.06512	0.6
245.01636	0.1
249.07513	20.0
250.07947	0.2
267.08551	16.1
268.08942	0.1
345.31451	0.2
541.20972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.2
51.02361	0.2
53.03938	3.1
55.01854	0.2
57.03421	1.0
59.76229	0.1
61.02899	0.5
61.53668	0.1
65.02804	0.1
67.05484	0.2
69.03414	7.2
71.01345	0.1
71.04985	1.0
73.02894	0.4
76.27248	0.1
77.03909	0.6
79.05472	4.7
81.03396	15.8
81.07010	0.2
83.01309	0.1
83.04951	0.2
85.02887	7.8
91.05406	0.1
92.08813	0.5
93.07020	0.2
95.04323	0.2
95.04942	6.2
95.08607	0.2
97.02868	10.5
99.04432	2.1
105.03369	100.0
105.06994	0.6
105.50983	0.1
106.03703	0.5
107.08566	0.2
108.04446	0.5
109.02857	8.7
109.10141	0.1
119.08511	0.1
123.04400	8.9
124.05182	0.5
126.05473	0.2
127.03888	5.7
133.06433	0.2
134.55759	0.1
137.05931	0.2
144.06511	0.2
145.02829	0.5
145.04927	1.6
145.10016	0.2
151.07462	0.1
156.06622	0.2
158.63199	0.1
159.11646	0.2
165.09045	0.8
177.05443	0.6
177.09079	0.1
231.06487	0.6
249.07513	20.3
267.08575	16.1
268.08911	0.1
278.33029	0.1
285.10080	0.2
308.77844	0.1
347.35416	0.1
586.76056	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	14.1
55.01861	1.2
55.05507	9.7
55.76371	1.0
57.03428	39.6
57.07042	1.0
61.02922	10.1
67.05501	12.5
69.03413	8.6
69.07053	12.5
71.04955	2.6
72.57338	0.9
73.02872	1.1
74.83125	0.9
76.26801	1.0
79.05468	5.6
81.03395	28.3
81.07037	16.8
81.57594	1.1
83.04929	1.8
83.08601	8.7
85.02893	9.6
90.70420	1.0
91.05453	6.2
92.09003	6.5
93.07021	7.8
93.40259	1.0
95.04916	1.2
95.08573	17.4
97.02868	13.4
97.10131	4.8
99.04449	9.2
103.03878	1.3
105.03336	1.7
105.07021	5.6
107.08553	4.8
109.02856	34.2
109.06509	1.2
109.10151	8.7
111.11665	1.4
114.76652	1.1
117.05470	100.0
119.08544	5.9
121.10134	5.3
123.11671	2.5
127.03901	25.5
133.10115	4.1
135.08028	1.6
135.11679	1.7
137.09506	1.5
137.13231	2.2
145.04921	1.6
145.14240	1.0
147.11642	1.4
159.06468	4.4
163.03781	1.7
169.04916	1.9
187.06024	9.8
215.42253	1.3
220.95813	1.1
229.07088	2.2
229.21469	1.6
235.20517	1.7
247.08015	10.4
277.90439	1.0
327.25262	23.2
345.26331	9.1
363.12747	1.4
369.26361	1.5
573.33087	1.4
609.35651	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	18.3
54.25229	1.4
54.38697	1.3
55.01863	1.5
55.05493	9.5
57.03429	57.1
57.07066	2.6
61.02905	10.2
65.03920	1.8
67.01866	2.3
67.05499	16.8
69.03416	10.1
69.07049	13.3
71.04973	2.1
73.69465	1.6
74.27519	1.4
79.05461	8.0
81.03403	35.5
81.07035	21.8
83.08594	12.1
85.02869	7.4
85.06519	1.7
91.05465	6.9
91.64346	1.7
92.09207	3.9
93.07021	10.3
95.04938	3.2
95.08574	21.3
97.02872	16.9
97.06554	6.3
97.10145	7.7
99.04438	8.3
103.03943	2.4
105.03380	7.2
105.07007	8.1
107.08580	3.3
109.02866	41.6
109.10140	9.3
111.11694	1.9
117.05466	100.0
119.08547	8.0
121.10094	3.1
123.11710	3.1
127.03896	30.2
130.32823	1.6
131.08513	2.5
133.10117	6.6
135.08034	1.9
135.11722	2.4
145.10083	2.7
149.55711	1.8
159.06540	7.9
161.13268	1.9
163.03929	3.5
178.64395	2.0
187.06035	13.7
247.08090	8.4
327.25290	23.8
345.26334	13.1
369.26382	2.5
371.46649	2.1
441.18677	1.8
551.07855	1.9
555.09589	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2704
Annotation	Trigonosin C
Peak:m/z	Relative Intensity
55.89902	0.5
57.27945	0.5
58.82956	0.5
60.45615	0.5
61.55266	0.5
71.18076	0.5
75.21807	0.6
76.23985	0.6
79.05463	0.6
84.82796	0.6
89.95303	0.6
90.65582	0.6
95.08588	1.3
121.42934	0.6
143.17412	0.6
389.17523	1.0
391.19391	1.0
403.19183	2.4
404.20013	0.7
405.20706	2.2
406.21695	0.6
407.22232	0.8
415.18948	0.8
417.16522	0.9
417.21176	1.1
418.21878	1.2
419.22336	3.5
420.23059	0.8
429.21133	1.1
430.17215	0.7
431.18665	3.2
432.19342	1.0
433.20197	8.6
435.22137	0.9
442.94809	0.6
443.18591	2.3
444.19333	2.8
445.20209	3.2
446.21063	3.7
447.21924	6.4
448.22693	1.3
458.20865	7.0
459.21524	5.3
460.22388	4.7
463.21222	2.7
473.23718	0.8
475.21198	1.0
476.21661	1.1
477.22751	2.4
478.23981	0.9
517.22528	0.8
518.22894	3.3
519.23865	12.3
520.24249	1.0
521.21692	0.9
531.23920	1.2
549.25085	4.3
550.25592	0.9
581.77625	0.7
591.25842	16.1
608.26221	2.7
609.26904	100.0
610.27698	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2703
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
59.77443	0.5
65.88071	0.5
76.99054	0.5
84.50433	0.6
92.08933	1.0
116.12580	0.7
134.62668	0.6
140.20259	0.6
211.12460	0.6
236.22093	0.6
237.14029	0.8
271.24982	0.7
362.85092	0.7
375.16928	0.9
377.17493	0.7
389.17816	1.2
391.19153	3.6
392.19910	2.7
400.17133	0.7
404.20285	1.3
405.20859	5.2
406.21448	2.9
407.22321	3.4
415.19205	2.5
419.22525	1.4
420.22974	0.7
421.23880	4.6
422.24500	0.7
427.19482	1.0
429.20694	4.0
430.21451	1.3
433.19836	1.1
433.24582	1.1
443.22549	1.0
445.20410	0.8
446.20920	0.8
447.18063	3.0
450.21701	0.7
457.23877	3.2
458.24658	1.1
459.22144	2.8
460.22479	2.8
461.18912	5.1
462.20532	3.1
463.20892	2.5
468.56946	0.8
472.22568	2.2
473.19202	0.9
474.20172	1.4
475.20840	11.3
476.21515	8.2
477.22372	7.0
478.23495	0.9
485.23444	11.6
486.20197	4.3
487.24588	0.7
488.21841	0.9
489.22705	7.8
494.26831	1.0
497.22739	0.8
499.21255	3.0
500.21948	1.2
503.24338	10.2
504.25641	4.2
507.23734	1.3
513.22772	2.3
515.24408	11.0
517.22522	0.9
521.26251	4.1
531.23822	18.5
541.22516	0.9
548.24213	0.9
549.24609	2.9
550.25604	7.5
559.23474	10.4
577.24500	1.1
591.25885	22.5
609.26971	100.0
610.27301	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	609.2705
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.92805	0.7
63.02261	0.8
67.05485	1.3
74.61929	0.8
81.07037	1.9
84.87179	0.9
92.09271	2.1
105.07029	1.2
109.10213	1.5
117.07058	0.9
123.71875	0.8
144.96796	1.0
145.10124	1.1
191.87329	1.0
201.64095	1.2
211.84581	1.1
286.47253	1.0
348.32639	1.0
391.19525	1.3
418.17761	1.1
429.20630	4.3
430.21896	1.4
433.24377	1.5
434.20932	1.4
443.22144	1.3
447.22186	1.1
459.21735	4.4
461.18805	1.6
462.20023	1.1
472.22534	2.2
476.22260	1.0
477.22903	1.8
487.24759	6.2
503.24509	1.4
519.23773	2.1
521.21991	4.2
531.23761	25.8
549.24738	17.4
591.25800	3.5
609.26965	100.0
610.27222	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.4
64.99368	0.3
67.05492	0.5
72.36642	0.3
73.29359	0.3
79.05478	0.4
80.63158	0.3
81.07030	0.5
91.05431	0.5
92.08725	0.5
92.09210	0.5
93.07027	0.5
95.08604	0.7
105.07017	0.5
128.44675	0.4
131.08598	0.4
154.83099	0.4
159.40215	0.4
197.10811	0.5
209.10815	0.6
211.12202	0.4
223.12283	0.7
237.13930	0.6
238.14540	0.7
239.15427	0.5
251.15457	0.5
325.42102	0.4
361.15506	0.4
364.18201	0.5
370.79532	0.4
376.16882	0.4
377.17337	1.5
389.18237	0.6
390.18433	1.7
391.19217	3.0
392.19882	1.6
393.20721	0.6
400.16806	0.5
401.17688	0.8
403.19760	0.7
404.20398	0.9
405.20944	4.2
406.21481	2.5
407.22256	3.8
414.18359	0.6
415.19205	1.9
416.20297	0.6
418.17557	0.5
419.17667	0.6
419.22293	2.5
420.23004	0.7
421.23801	5.9
422.24695	0.8
428.19653	0.5
429.20773	2.5
430.21942	1.6
431.18155	0.8
432.19226	1.5
433.20032	2.2
443.22681	0.6
444.23294	0.8
445.20245	2.4
446.20883	0.7
447.18063	2.5
449.23715	1.2
452.22058	0.7
457.23944	2.0
459.21738	3.4
460.22858	1.7
461.19006	8.0
462.20087	3.1
463.21060	2.1
471.17584	0.5
472.22885	0.7
474.19763	0.9
475.21039	9.6
476.21616	8.4
477.22305	5.6
479.24506	0.5
485.23575	6.7
486.19940	2.7
487.20804	0.5
488.21954	1.6
489.22784	6.8
493.22168	1.7
494.26703	0.6
499.21405	5.0
500.22168	1.5
503.24329	9.7
504.25363	3.6
505.22205	0.5
507.23724	0.5
513.22974	1.4
515.24207	6.7
517.22583	1.5
518.22968	0.5
521.25970	3.7
522.25684	0.6
531.23743	10.4
535.24078	0.6
548.24042	0.6
549.24756	3.6
550.25427	7.1
559.22925	5.3
563.26727	0.9
577.24524	1.9
591.25824	10.1
599.51257	0.4
609.26978	100.0
610.27222	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	609.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
53.50353	0.1
55.01850	1.2
57.03425	2.6
59.04968	0.2
61.02914	1.4
65.03909	0.2
65.75040	0.2
69.03414	13.6
71.01323	0.4
71.04970	1.5
73.02891	3.0
79.05470	13.3
81.03400	4.5
83.01300	0.3
84.04479	0.3
85.02885	14.7
86.06059	0.2
87.04431	1.1
87.90215	0.2
91.05457	28.1
92.09001	0.8
95.04934	0.3
96.04440	0.3
97.02866	16.8
98.02333	0.2
99.04432	3.6
101.02361	0.4
103.05436	0.2
105.03365	1.2
106.06535	25.9
107.04934	33.1
109.02876	3.4
113.02347	0.2
114.05517	0.4
115.03898	1.2
117.06982	1.2
118.06503	2.5
119.04928	0.2
120.08044	0.4
125.02370	0.4
127.03891	7.8
128.06198	0.8
129.06952	1.5
131.04886	0.3
131.08533	1.0
132.04425	5.7
132.08058	0.2
134.05972	1.6
135.04372	4.5
137.05833	0.3
141.06979	1.4
143.08519	0.3
144.07990	0.3
145.04922	2.7
145.06505	0.4
146.06017	1.0
147.04337	0.3
148.07555	0.7
154.04938	0.3
157.06459	0.7
158.05971	0.8
158.09581	0.2
162.05435	0.5
164.06969	0.3
169.06461	1.2
172.06007	1.4
172.07419	0.4
173.05939	0.2
176.06949	1.4
184.07439	0.3
185.05928	0.5
186.09059	0.3
194.09633	0.9
197.05925	0.4
214.08643	0.3
215.07024	0.5
218.08040	0.9
232.09627	0.3
232.68069	0.2
233.08096	0.4
251.09084	15.6
260.09140	1.3
261.07373	0.3
264.71991	0.2
278.10168	100.0
279.08438	7.2
287.82312	0.2
297.09583	3.6
323.67899	0.2
384.14304	1.0
412.13699	1.1
430.14935	0.7
609.19641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58944	0.3
53.03931	2.6
54.98441	0.5
55.01862	2.9
55.05492	1.0
57.03426	4.2
61.02897	4.2
65.03917	0.5
67.05482	0.8
69.03412	37.6
69.07050	1.8
70.06570	0.7
71.01364	0.4
71.04963	2.5
73.02882	0.9
75.28654	0.4
79.05471	15.5
81.03393	6.8
81.07030	2.4
83.01339	0.5
83.04948	0.5
84.55682	0.4
85.02888	31.0
85.06490	0.9
87.04456	0.8
91.05457	100.0
92.05814	0.5
92.08980	2.6
93.07023	2.2
95.04949	2.0
95.08589	2.5
97.02869	34.8
97.10155	0.9
99.04425	4.3
103.05416	3.7
103.66119	0.4
105.03373	8.0
105.06998	2.9
106.06551	1.9
107.04935	39.6
107.08565	2.3
109.02859	3.9
109.06503	0.9
109.10147	1.0
111.08085	0.6
113.02341	0.8
113.12027	0.4
115.05439	2.4
116.04194	0.7
116.04955	7.1
117.03297	0.5
117.07001	7.7
118.04177	0.7
118.06512	0.5
119.04867	1.7
119.08547	2.9
121.02849	0.7
121.06473	1.0
121.10104	1.1
123.04427	0.9
123.11643	0.5
125.09618	1.1
127.03885	30.6
128.06195	0.6
129.06966	4.5
131.04909	0.9
131.08540	11.1
133.06480	2.0
133.10103	1.1
134.05997	1.1
135.04396	14.2
135.11684	0.5
137.05948	3.1
141.06978	1.9
143.03381	2.1
145.04953	9.9
145.06474	17.6
145.10162	0.8
147.04378	5.1
151.03873	0.8
155.06029	2.6
157.06436	1.0
159.08034	4.2
161.04420	2.3
161.05907	1.9
163.11133	0.5
167.06993	3.7
167.08507	2.1
169.06348	1.0
173.05945	8.3
177.05424	0.7
178.77173	0.4
185.05931	0.6
187.07533	3.0
191.07042	0.9
194.09618	11.1
205.08606	0.7
206.09612	0.6
215.06960	1.1
218.00934	0.5
233.07994	3.4
238.94571	0.5
243.72212	0.6
251.09105	15.4
261.07608	0.7
273.15808	0.5
279.08563	10.4
287.05466	4.8
297.09659	16.8
306.22049	0.5
354.85950	0.5
384.14279	5.3
423.63437	0.6
577.20154	0.8
609.22534	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	608.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36910	8.5
55.05494	26.9
57.03426	12.5
57.07050	11.8
60.07848	11.0
63.38204	10.0
67.05495	100.0
69.07056	23.5
74.06356	10.0
79.05473	61.7
81.07053	96.8
83.08602	12.8
91.05460	58.1
92.08831	42.2
92.22054	10.7
93.07025	79.1
95.08589	59.7
105.07007	70.3
107.08604	23.9
109.10155	26.7
113.02351	48.3
119.08587	15.1
121.10105	16.7
133.10109	75.4
151.11221	13.6
179.10576	19.8
214.13765	13.9
214.63351	10.9
225.10988	12.0
228.60030	15.2
259.33319	10.9
312.25131	12.9
313.16333	56.2
329.86224	12.7
335.25766	93.5
380.88913	11.1
419.50131	12.0
573.37695	47.9
608.41803	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2908
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
50.42619	0.3
51.06581	0.3
55.71349	0.4
70.56573	0.4
74.01415	0.4
92.08900	0.9
126.49214	0.4
202.83250	0.4
387.15729	0.6
389.17664	1.7
401.18088	0.5
402.18469	1.6
403.19034	4.5
404.19949	1.5
405.20895	2.5
416.19946	1.8
417.20880	6.2
418.21487	3.5
419.22253	4.3
430.17322	1.4
430.22433	0.6
431.18018	12.0
432.18768	0.7
432.23743	1.7
433.23907	13.9
433.29413	0.8
434.24738	0.6
445.19684	14.9
446.20569	6.5
447.21591	5.8
459.21405	7.3
460.22412	17.4
461.23199	17.4
473.23450	4.0
474.24100	2.0
477.23172	0.5
487.24951	2.5
491.24438	0.5
505.22397	2.0
515.24133	0.7
519.26843	1.8
525.82495	0.5
547.26959	55.9
548.27612	0.9
575.26605	0.8
607.29041	100.0
608.29364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2909
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
57.69674	0.1
61.81876	0.1
63.98912	0.1
92.08978	1.3
134.59990	0.1
237.13847	0.3
260.63785	0.2
304.99008	0.2
331.14432	0.2
350.81592	0.2
385.45551	0.2
388.16699	0.3
389.17334	1.3
390.18271	0.3
401.17505	0.8
402.18463	0.8
403.19113	2.7
404.19879	1.0
405.20706	1.5
415.19446	0.4
416.19836	1.0
417.16766	0.8
417.21231	3.2
418.21643	1.7
419.22189	3.2
419.27466	0.3
429.20932	0.2
430.17245	0.7
430.22202	0.5
431.18024	7.4
432.18573	2.1
433.23956	7.6
434.24466	1.5
444.18301	0.4
445.19681	9.1
446.20554	4.2
447.21570	4.4
449.23196	0.3
459.21265	4.3
459.31351	0.2
460.22412	11.4
461.23212	11.9
462.20767	0.2
463.20847	0.2
473.23544	3.4
474.23990	0.9
477.22684	0.8
487.25107	1.7
488.25571	0.6
489.21997	0.5
490.23605	0.2
491.20145	0.2
491.24908	0.3
492.25165	0.8
493.25513	0.3
505.21658	3.3
506.26837	0.7
515.24341	0.6
518.22540	0.2
519.24750	1.5
519.26514	1.5
532.24524	0.9
533.25281	0.3
547.26892	33.6
548.27551	1.3
563.25940	0.2
575.26715	1.0
578.24573	0.3
579.29474	0.9
607.29004	100.0
608.29193	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	607.2545
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
52.71695	0.4
52.78020	0.5
54.57501	0.4
57.26368	0.5
57.78839	0.5
60.00316	0.5
62.25917	0.6
67.76150	0.5
92.08665	0.6
92.09158	2.3
109.42268	0.6
111.60332	0.6
125.85945	0.7
194.69696	0.7
259.34543	0.6
290.82370	0.6
388.16959	1.1
389.17691	3.4
390.18054	0.7
401.17200	0.7
402.18747	1.2
403.19281	5.6
404.19843	1.5
405.20779	3.7
410.13660	0.6
416.16266	0.8
417.17017	2.9
417.21341	2.1
418.17422	1.1
419.22559	6.1
420.22919	1.0
420.60370	0.6
431.18179	8.6
432.19171	3.1
433.19946	6.2
445.19958	6.7
446.20905	8.4
447.21744	8.2
459.17224	0.8
461.19870	1.0
463.25510	0.7
474.20319	7.0
475.20923	5.9
487.21429	1.0
491.20844	1.4
501.22784	0.9
519.24139	17.9
547.23254	16.9
548.23511	1.4
579.25964	6.2
607.25391	100.0
608.25604	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	607.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98161	0.5
54.81588	0.6
67.05489	1.2
69.07087	0.5
75.43888	0.5
79.05498	1.0
79.98122	0.5
81.07069	2.2
83.04954	0.5
91.05470	2.4
92.09173	4.5
93.07030	2.6
95.08588	1.1
97.52971	0.6
105.07046	2.2
133.10143	0.8
149.09541	0.6
160.70045	0.5
163.07526	0.6
164.49333	0.5
173.33794	0.6
215.69931	0.6
226.34991	0.6
375.15994	0.9
387.16663	0.7
388.16791	2.3
389.17606	4.2
390.18546	2.6
391.19107	1.0
401.17938	2.2
402.18661	1.3
403.14615	0.8
403.19571	6.5
404.19894	3.8
405.20764	4.6
416.16113	1.0
417.16202	6.9
417.21103	3.9
418.21692	0.9
419.22397	14.6
420.22958	0.8
430.17639	1.4
431.18231	11.8
432.19507	3.8
433.20020	2.8
444.19559	0.7
445.20108	9.1
446.20908	8.4
447.21646	12.8
448.22815	0.6
459.17853	2.8
461.19812	3.0
473.19260	1.1
474.20294	13.9
475.20975	15.5
478.23700	0.9
487.21277	2.7
488.22028	0.9
490.24136	1.2
491.21054	3.6
501.22754	2.2
502.81601	0.6
505.22534	0.8
519.23932	15.2
520.24091	0.8
547.23285	70.5
548.23743	2.3
561.25275	2.2
579.25916	4.3
589.24603	1.0
607.25433	100.0
608.25708	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	606.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.7
54.81802	0.9
55.05509	9.9
55.05739	1.3
57.03409	0.7
57.07058	4.9
61.02888	1.2
61.52294	0.6
63.47971	0.6
67.05490	14.7
69.03377	0.7
69.07056	19.2
71.08613	0.8
73.02898	14.6
79.05475	7.2
81.07039	41.7
83.08605	11.8
91.05453	6.1
93.07021	29.2
93.07569	1.6
95.04972	0.8
95.08585	75.8
97.10127	8.0
105.07014	15.9
107.07861	1.7
107.08580	46.4
109.10142	43.1
111.08070	0.8
111.11710	1.6
117.07016	1.0
119.08559	32.2
121.09251	1.7
121.10117	48.7
123.11690	25.1
131.08524	5.9
133.10104	26.4
133.48534	0.7
135.08012	1.1
135.11670	36.3
137.13237	15.8
143.08525	1.3
145.10109	15.0
147.11661	18.5
149.13237	40.8
153.09070	3.1
157.10085	1.2
159.11676	9.1
161.13214	12.6
163.14784	9.1
165.08972	1.0
167.10617	1.1
171.11667	1.8
173.13231	9.5
175.14761	8.7
177.09096	1.0
177.16324	7.0
179.10625	1.8
179.17877	1.8
185.13226	1.1
187.14832	4.2
189.16348	33.5
191.10632	1.1
191.17924	40.1
201.16351	51.0
203.17935	33.2
205.19498	38.1
207.17465	1.2
213.16373	4.1
215.17943	21.7
217.19492	8.7
219.17458	1.2
227.17914	1.4
229.19473	1.2
231.21021	1.2
235.16901	4.9
241.19450	3.1
243.21100	6.1
245.22560	4.1
247.16891	21.3
249.18442	4.7
255.21046	3.5
257.22540	1.7
259.16870	1.3
261.18427	9.9
269.22501	1.8
271.16916	1.0
280.50974	0.8
289.21576	3.3
301.21637	0.9
315.22934	1.6
355.26385	0.9
359.18533	0.9
388.79239	1.0
393.34970	14.7
439.35620	100.0
440.35498	1.6
451.22858	1.1
555.29083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33859	0.5
50.41697	0.6
52.67497	0.5
55.05505	7.0
57.07061	8.8
61.02904	0.8
67.05490	20.0
69.03392	0.5
69.07049	14.3
71.08595	1.0
71.53971	0.5
73.02905	7.6
79.05478	6.6
81.07034	73.9
82.53000	0.5
83.08598	8.8
85.10181	0.8
91.05461	3.5
93.07008	13.0
95.08579	100.0
95.39472	0.7
97.10145	5.8
105.06995	10.0
107.08564	16.3
109.10137	38.6
111.11690	1.4
115.03904	1.1
117.07013	0.8
119.08548	9.9
121.10122	11.3
123.11677	35.5
129.07018	1.2
131.08517	8.0
133.10103	7.0
135.11674	9.6
137.13229	48.9
137.95172	0.6
143.08542	5.3
145.10104	11.0
147.11670	6.2
149.13228	7.1
151.14807	4.2
157.10098	5.6
159.11671	7.0
161.13229	4.0
163.14780	2.4
165.09067	0.9
171.11670	6.9
173.13240	6.7
175.14764	7.5
177.16295	1.4
179.17903	10.1
183.11652	0.9
185.13202	4.4
187.14761	8.9
189.16364	4.8
191.10648	0.9
191.17899	2.9
193.15854	0.7
193.19406	0.7
199.14799	6.8
201.16339	10.2
203.17949	2.5
205.12209	1.1
205.19518	3.0
213.16322	14.5
215.17883	9.0
219.13690	0.7
227.18015	2.6
229.19627	0.8
241.19359	7.6
243.21120	4.7
247.16852	0.7
255.21007	3.9
257.22607	1.1
259.16800	6.6
261.18301	1.1
269.22522	5.0
273.56223	0.7
287.20026	2.7
289.21484	1.5
301.21594	0.8
315.23157	0.8
393.35010	17.2
439.35611	75.2
440.35675	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.3
53.03943	3.4
55.01863	0.4
55.05501	1.5
57.03422	1.1
57.07043	0.3
59.05050	0.2
61.02913	0.4
62.48950	0.2
67.05486	1.3
69.03419	6.8
69.07055	4.4
70.06574	0.4
71.04971	1.5
72.51729	0.2
73.02902	0.3
77.03917	0.4
79.05473	5.0
81.02928	0.5
81.03403	13.8
81.07024	1.8
81.97068	0.2
83.08603	1.7
85.02892	10.5
85.06546	0.4
91.05441	0.4
92.08749	0.9
93.07023	1.4
95.04953	5.4
95.08590	1.3
95.98937	0.2
97.02876	9.0
97.06506	0.4
97.10151	0.2
99.04455	2.2
105.03375	100.0
105.07015	1.4
106.03703	0.5
107.08578	1.1
107.99422	0.2
109.02854	8.0
109.10172	0.5
116.07047	0.5
119.08579	0.9
121.10133	0.9
122.98576	0.2
123.04404	11.9
123.08017	0.2
125.09644	0.2
125.13210	0.2
127.03902	6.5
131.08583	0.4
133.10091	0.4
137.06012	0.2
141.58887	0.2
143.14359	0.3
145.02829	1.0
145.04974	1.3
145.10098	0.5
147.04424	0.5
147.11668	0.4
151.11171	0.3
159.11682	0.3
161.15353	1.4
165.12697	0.3
177.05438	1.1
187.14919	0.3
209.15318	0.9
231.06525	1.2
249.07533	15.2
267.08588	26.1
350.11499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4044
Annotation	Lasalocid B
Peak:m/z	Relative Intensity
55.05497	17.5
57.03422	4.9
67.05493	20.5
67.69576	2.8
69.07045	28.8
73.02891	14.9
79.05464	22.8
81.07035	59.2
83.08601	14.6
91.05459	18.0
92.08613	3.0
92.09144	11.2
93.07023	49.9
95.08585	100.0
105.07004	45.4
107.08579	84.7
109.10143	53.1
111.08068	40.3
117.07030	4.4
119.08556	74.5
121.10108	77.1
123.11688	25.6
131.08560	18.8
133.10092	63.2
135.11659	30.4
139.11163	5.3
139.94016	3.1
143.08493	3.8
144.76114	3.1
145.10120	37.0
147.11670	37.3
149.13239	37.2
153.09117	3.5
159.11655	29.8
161.13237	44.3
163.14793	58.5
171.11613	5.2
173.13193	25.0
175.14870	24.5
177.16295	23.3
187.14813	16.9
189.16327	66.2
191.17892	4.6
195.17375	3.5
201.16370	55.0
203.17923	53.1
205.15833	3.5
207.17392	12.4
213.16272	11.7
215.17952	30.8
219.17332	5.3
221.18918	15.1
227.17766	5.0
229.19496	3.9
241.19421	5.0
243.21017	12.3
247.16885	12.4
255.21179	4.6
261.18420	11.9
283.24341	3.4
315.23279	3.7
316.30957	3.3
352.15689	3.3
391.33557	6.2
397.30960	5.5
409.34650	40.8
411.36105	4.0
425.34167	17.8
432.55109	3.1
437.34042	72.2
455.34991	32.0
605.36121	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	605.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.8
57.03418	4.0
57.07057	2.6
61.02916	2.8
61.07469	1.7
66.56375	1.7
67.05486	7.5
69.03407	3.5
69.07047	3.9
69.60219	1.8
73.02902	57.7
79.05470	9.4
81.07047	18.2
83.08620	2.9
85.02898	2.6
91.05463	3.3
92.08717	4.1
92.09271	5.2
93.07037	13.4
95.08586	28.5
105.07021	17.6
107.08586	27.9
109.10149	11.2
113.75121	2.5
115.03941	1.9
119.08580	25.6
121.10115	14.3
123.08054	2.5
123.11703	7.2
131.08516	7.9
133.10109	22.6
135.11687	13.3
145.10106	13.3
147.11647	18.1
149.13281	8.2
159.11639	14.0
161.13243	8.1
163.11143	1.8
163.14766	3.6
165.09045	2.4
171.11646	4.3
173.13260	10.1
175.14769	7.5
177.16370	2.6
184.53658	1.9
185.13251	2.3
187.14755	15.2
189.16345	24.9
191.17909	12.1
201.16364	25.4
203.17903	15.3
205.15790	3.6
207.17398	3.1
213.16376	2.6
215.17966	11.1
219.17543	3.7
244.49269	1.9
247.16853	6.4
255.21019	7.6
269.22510	2.1
409.34573	3.2
437.33951	18.6
455.34946	2.2
463.30179	2.1
496.78455	1.8
524.55902	2.3
559.39807	100.0
560.39935	2.2
605.40100	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	605.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01644	1.5
53.03938	39.7
55.01856	9.6
55.05505	24.6
56.26632	1.1
57.03426	28.0
57.07063	3.3
61.02914	7.8
61.31638	1.2
67.01851	5.9
67.05492	41.7
68.18547	1.2
69.03415	23.3
69.03763	1.9
69.07063	15.5
70.06565	1.5
71.04977	10.8
73.02911	1.8
79.05473	10.4
81.03398	84.2
81.07038	45.8
83.04987	2.4
83.08588	14.4
85.02892	17.2
85.06521	1.9
90.56158	1.4
91.05467	8.8
92.08643	3.1
92.09253	7.3
92.86057	1.4
93.07024	10.9
95.04975	10.0
95.08581	55.9
97.02866	47.4
97.06518	3.2
97.10156	7.8
99.04425	24.2
103.03921	1.9
103.08186	1.3
105.03381	30.7
105.07001	6.6
106.03702	6.2
107.08607	9.9
109.02859	100.0
109.06512	3.0
109.10134	37.8
111.04370	1.8
111.08078	1.8
117.05478	45.4
119.08577	9.4
121.10100	6.7
122.45618	1.4
123.04382	6.1
123.08041	2.5
123.11683	9.1
127.03886	65.3
129.06975	1.4
130.52728	1.2
131.08546	2.4
131.97740	1.3
133.10124	6.9
135.08104	1.5
135.11681	2.0
137.09613	2.5
145.04987	3.4
145.10135	2.2
151.03860	1.6
151.83630	1.2
157.10063	1.4
159.06490	17.5
165.09137	1.7
165.16353	2.5
165.50067	1.3
169.04968	7.9
175.11209	1.6
179.17888	1.4
183.17365	1.8
185.62599	1.5
187.05956	26.9
189.16365	1.8
193.12299	1.8
201.18530	6.1
225.18481	1.6
229.06998	8.3
247.08049	19.7
249.07471	2.5
250.07993	2.3
261.76910	1.4
267.08661	5.1
267.15933	9.9
281.20966	6.1
328.17453	6.7
341.23166	94.9
411.36124	1.4
605.32684	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	605.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95189	1.0
52.09343	1.1
52.17586	1.2
57.07070	1.7
68.25622	1.2
76.29027	1.5
81.07076	1.4
82.41912	1.5
92.09172	4.9
115.95280	1.5
269.24408	1.5
415.19135	3.4
416.19540	2.0
427.19562	1.9
429.20676	10.1
430.21481	6.3
443.22198	6.5
444.23071	7.9
445.23972	6.2
459.21112	4.0
472.22577	3.2
473.24066	2.1
474.24527	2.5
485.23459	2.6
487.24835	26.3
503.24393	1.8
517.25775	2.9
545.25201	20.8
546.26007	3.0
605.27478	100.0
610.61835	1.8
610.72064	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05506	0.8
59.06097	0.9
60.05640	0.8
63.93993	0.4
67.05499	1.9
69.07059	1.9
79.05478	1.9
81.03391	2.7
81.07038	3.7
82.35506	0.5
83.04987	0.6
85.02864	0.6
89.26424	0.5
91.05465	2.7
92.08680	1.0
92.09269	1.3
93.07025	1.2
93.30043	0.5
95.04960	1.1
95.08597	2.8
105.03386	3.2
105.07008	2.3
107.08591	2.2
109.06531	0.8
109.10143	0.8
119.08567	1.2
121.10149	0.8
123.04417	0.8
125.95798	0.4
127.03894	0.6
131.08563	1.0
133.10162	0.9
145.10127	1.1
146.70912	0.5
184.07306	0.7
191.18005	0.9
305.06201	0.5
349.08975	2.1
379.09998	0.8
409.10809	3.5
465.06775	0.6
467.11484	7.5
467.17712	0.7
469.13013	13.9
605.25568	100.0
606.25543	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	604.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89072	0.4
53.03923	0.9
55.01859	1.8
55.05489	0.7
65.03927	10.0
65.26387	0.4
67.05488	2.8
69.03408	0.9
69.07047	1.1
71.97399	0.5
75.15144	0.4
79.05472	2.7
81.03413	1.9
81.07032	2.8
81.71819	0.5
82.04140	0.6
85.02882	3.3
87.70196	0.6
91.05447	5.5
93.03373	4.5
93.07039	1.1
95.04940	3.0
95.08572	1.9
97.02873	2.3
97.06532	0.8
97.92450	0.5
105.03368	14.6
105.04467	0.6
105.07005	2.7
107.04944	4.0
107.08562	0.7
109.02851	2.3
109.06495	0.9
109.10167	0.7
110.03632	8.1
111.04433	13.0
115.05437	0.6
115.23861	0.5
117.07069	0.6
119.04925	5.9
119.08540	0.6
121.02849	8.6
121.06499	2.0
121.10145	0.7
123.04372	2.5
123.08075	0.7
125.05963	14.5
127.03876	1.0
129.07028	0.8
131.04865	0.9
131.08534	0.8
133.02806	2.1
133.10088	1.1
134.01103	0.5
135.04395	1.0
135.08066	0.7
135.11693	0.5
137.05937	5.3
141.86353	0.6
144.05589	0.6
145.06451	0.7
145.10063	0.9
147.04401	8.6
147.08043	0.9
147.11676	1.0
149.02313	3.6
149.05881	0.8
151.03903	1.1
151.07547	2.2
153.05438	23.1
157.06424	0.7
159.07993	1.9
161.05969	3.5
161.09583	2.5
162.06772	0.8
163.07501	0.9
165.07016	2.3
165.09120	0.7
166.07729	0.5
167.06987	4.0
167.08350	0.9
173.70139	0.6
174.06763	0.8
175.07498	1.2
175.11070	0.8
178.07730	0.8
179.06985	0.8
179.10594	0.6
181.06396	0.7
181.08531	0.7
182.07307	1.0
183.08110	0.8
185.70958	0.5
188.08199	0.7
189.09061	1.2
193.06493	1.8
193.08388	0.5
194.07217	0.8
195.08070	2.9
197.05986	1.0
197.09573	0.7
199.07425	0.6
206.07274	0.8
207.07994	2.2
208.08788	0.8
209.05908	0.7
209.09625	0.8
210.06761	3.1
211.07500	1.9
212.08232	0.8
213.09061	1.2
221.05931	4.9
221.09535	3.7
222.06667	0.6
222.10336	0.7
223.07390	3.9
223.11121	1.0
224.08263	1.9
225.09081	7.7
227.06935	2.5
227.10590	0.9
234.06709	0.8
235.07469	2.4
236.08171	0.7
237.09076	3.8
238.06168	3.8
238.09782	4.8
239.06996	3.6
239.10689	2.5
240.07707	9.3
241.08498	2.0
249.05409	0.6
249.09032	2.4
249.11319	0.8
250.09737	0.8
251.06990	3.0
251.10634	1.0
252.07794	1.1
253.08539	28.6
253.12146	6.8
254.09334	4.1
255.06505	2.6
255.10078	7.8
257.08017	2.3
257.11578	0.7
265.08554	2.7
266.06183	0.8
266.09317	5.7
267.06161	0.8
267.10010	3.3
268.07236	2.7
269.07980	3.7
270.08826	4.1
270.12375	0.5
271.13095	0.9
277.08487	0.7
279.06677	0.6
279.10135	2.0
281.08069	6.0
281.11728	6.3
282.08780	2.3
283.09622	10.4
283.12805	1.2
284.10370	3.5
285.11148	11.2
285.14737	2.2
287.05331	1.0
291.10019	0.7
293.08029	0.6
293.20941	1.7
294.08807	0.7
295.09668	4.0
296.10187	0.6
297.11075	1.0
298.08691	0.6
298.11899	3.6
299.12723	7.7
300.09900	1.1
303.15948	2.0
309.11090	9.8
310.11865	5.0
311.12741	0.9
313.10617	11.2
313.14288	5.4
325.10706	0.8
326.11465	0.9
327.12195	33.5
328.12994	2.6
331.15292	5.1
339.12234	0.8
341.13751	5.6
343.15173	0.6
359.14810	100.0
360.15198	0.9
361.16443	1.1
371.14832	5.0
389.15799	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	604.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23365	0.8
53.03940	4.4
53.39058	0.8
54.81393	0.9
54.83757	0.9
55.01855	4.4
55.05497	5.0
57.03413	4.5
59.04996	11.7
59.05630	1.1
64.71322	1.0
65.03946	7.8
65.33074	1.1
66.80830	1.0
67.05493	9.0
69.03408	8.5
69.07047	4.4
70.06562	1.7
71.04981	1.9
77.99472	1.0
79.05465	10.6
81.03407	9.6
81.07043	15.8
82.04165	1.6
83.04962	2.4
83.08583	2.1
85.02892	14.3
85.06512	2.7
87.04465	1.5
91.05461	11.5
92.08874	4.8
93.03390	4.9
93.07027	8.1
95.01299	1.5
95.04940	13.2
95.08623	8.3
97.02874	8.6
97.06505	4.0
99.04437	4.2
99.08071	2.2
103.05435	2.4
105.03378	58.0
105.07012	11.6
107.04926	5.8
107.08588	8.5
109.02878	10.0
109.06478	2.3
109.10137	4.8
110.03629	9.9
111.04423	14.4
117.03364	2.0
117.07017	5.0
119.04913	9.0
119.08563	7.4
121.02826	10.7
121.06480	6.0
121.10099	5.0
122.03596	1.3
123.04414	8.7
123.08041	2.5
123.11662	5.4
125.05972	17.2
127.03881	6.3
129.06982	8.3
131.04895	6.4
131.08536	2.4
133.02798	1.4
133.06465	5.0
133.07637	1.6
133.10106	5.3
135.04376	2.2
135.08073	3.8
135.11617	1.3
137.02271	1.2
137.05956	22.8
137.09666	1.2
138.03094	2.0
139.03912	1.5
145.02855	2.0
145.06448	1.4
145.10139	2.5
147.04393	12.1
147.11647	2.6
149.02324	1.7
149.05989	4.6
151.03902	1.5
151.07484	7.7
153.05446	28.1
157.06488	4.6
157.10062	1.8
159.08000	1.7
161.05957	5.8
161.09578	2.4
161.75928	1.2
162.06712	2.4
163.03857	4.7
163.07532	4.3
163.11092	1.6
165.05403	1.4
165.09071	1.2
167.07034	9.1
167.08246	1.2
167.10709	1.4
168.21465	1.0
169.08598	1.9
174.06711	2.0
175.07536	5.5
177.05424	2.2
179.07004	2.7
181.04886	6.5
181.06325	1.2
181.08661	1.6
183.08063	1.6
187.07503	1.9
188.08340	1.6
189.07457	1.6
189.09023	9.9
193.08549	6.6
195.08058	4.7
209.06107	1.4
209.07922	1.7
210.06726	2.2
211.07613	2.1
211.09616	5.5
212.08250	1.4
212.16466	1.2
217.08521	1.5
221.09659	2.0
223.07512	5.2
224.08284	1.2
225.09145	3.9
227.06996	2.4
234.06677	1.5
235.07495	1.3
237.09076	4.8
238.06216	1.5
238.09782	1.7
239.06934	4.7
239.10533	1.5
240.07733	7.0
249.07532	7.1
251.06955	2.4
251.10551	1.5
252.07993	1.7
253.08542	17.8
253.12196	6.7
254.09302	5.2
255.06314	1.6
255.10115	6.5
257.08127	2.2
265.08539	5.0
266.09338	2.6
267.08365	12.4
268.07230	1.9
269.08102	5.2
269.11450	1.6
270.08829	1.8
271.13104	1.2
277.08557	1.8
281.08072	4.3
281.11633	8.1
282.08942	1.7
283.09479	8.7
284.10385	2.2
285.11047	2.2
287.05435	8.9
295.09683	2.1
297.11136	2.6
298.11960	2.1
299.12744	10.0
303.15805	1.9
309.11060	8.6
310.11880	2.3
311.12491	1.8
313.10611	13.7
313.14371	5.1
327.08307	1.4
327.12225	31.5
328.13046	1.6
329.13754	12.5
331.15454	4.2
339.12277	4.2
341.13678	4.7
357.13177	4.4
359.14822	100.0
360.15302	1.5
371.14731	9.3
389.15915	9.5
441.53506	1.2
442.11270	2.4
523.24921	1.3
604.22784	1.9
623.49579	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.4
53.03939	3.6
55.01865	0.7
55.05501	0.5
57.03428	0.7
65.08632	0.3
69.03416	7.6
69.03767	0.6
70.17189	0.3
71.04996	0.7
77.03915	0.4
79.05475	4.4
81.03398	18.4
81.07037	0.8
83.08591	0.4
85.02888	6.2
91.05466	0.9
92.09107	0.7
93.07034	0.5
94.04163	0.6
95.04953	5.2
95.08531	0.4
97.02863	10.9
99.04426	3.0
105.03372	100.0
106.03676	0.5
107.04944	0.7
109.02869	9.2
109.06488	0.7
117.03359	0.8
119.04909	0.5
119.08527	0.4
119.86584	0.3
121.06464	0.6
122.03614	4.4
123.04382	7.6
127.03889	5.7
129.06982	0.6
131.04903	0.3
131.08521	0.6
136.07558	0.4
137.05952	78.1
145.02797	2.9
145.04918	1.7
147.04300	0.4
147.08058	0.4
149.05923	2.4
151.03860	1.6
151.07484	0.5
157.06497	0.5
159.07999	0.7
161.05927	1.5
164.07040	1.5
165.05424	0.8
167.07018	3.0
175.07475	0.7
177.05437	3.5
179.06926	0.3
180.07748	0.3
181.06403	0.8
187.07397	0.7
189.09018	0.7
189.33234	0.4
191.06987	0.6
192.07806	0.4
198.06618	0.7
203.06984	0.5
213.09045	2.2
213.22368	0.3
215.10670	0.5
219.10114	0.4
225.09050	0.8
237.07407	1.6
243.10095	0.5
249.07518	22.8
253.08440	0.6
267.05948	0.6
267.08575	10.2
273.11142	0.7
280.88849	0.3
285.11160	1.5
363.11987	1.5
381.13132	0.5
397.16553	0.7
408.00192	0.3
409.16196	0.4
427.17365	4.9
430.81680	0.4
445.18094	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
54.81802	0.3
55.01865	0.3
57.03430	0.3
57.15578	0.2
60.97525	0.2
69.03422	2.5
70.27053	0.2
79.05482	2.0
79.49720	0.3
81.03407	6.0
81.07030	0.5
83.85123	0.2
85.02892	3.0
90.85941	0.2
91.05457	1.2
92.08649	0.2
92.09159	0.6
93.07027	0.3
94.04145	1.1
95.04953	2.5
97.02859	3.8
97.20659	0.3
99.04443	0.4
103.05418	0.3
105.03374	35.8
107.04946	0.4
109.02869	4.5
109.06471	0.4
121.06488	0.5
122.03622	4.0
123.04430	2.4
127.03872	2.4
137.05959	100.0
138.06306	0.3
145.04980	0.6
147.04442	0.4
148.29570	0.2
151.07562	0.3
153.07030	0.4
167.07018	1.6
167.08366	0.3
177.05458	0.3
179.07080	0.4
181.06435	1.5
193.06596	0.2
209.05934	0.3
209.07924	0.3
213.09102	1.4
221.05795	0.3
225.09091	0.5
237.07574	0.5
241.08572	1.1
249.07538	9.5
253.08533	0.5
267.08545	4.6
273.11179	1.1
285.11194	1.2
315.23642	0.3
363.12201	0.3
381.12958	0.3
427.17676	1.1
603.29803	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01864	1.4
55.05497	0.4
55.35023	0.3
57.03428	0.8
60.71401	0.3
65.03922	0.4
67.05500	0.4
69.03414	7.7
69.07057	0.8
69.76199	0.3
71.04984	0.8
73.02897	0.4
76.04971	0.3
76.52755	0.3
78.19625	0.3
79.05470	4.1
81.03399	18.3
81.07062	1.2
85.02895	8.3
86.09685	0.5
91.05463	1.3
92.09101	0.4
93.07014	0.7
94.04176	0.4
95.04944	6.7
95.08606	1.4
95.93476	0.3
97.02869	11.8
97.06454	0.5
98.96265	0.3
99.04436	3.0
105.03373	100.0
105.06995	1.3
107.04916	1.3
107.08610	1.5
108.91962	0.3
109.02853	9.7
109.06513	0.5
111.04404	0.5
115.03921	0.4
116.74784	0.3
119.04867	0.3
119.08552	0.5
122.03635	2.9
123.04394	6.7
125.05923	0.4
127.03898	6.0
127.80574	0.3
131.04878	0.8
133.10147	0.6
135.08037	1.4
136.07541	0.7
137.05954	71.9
145.02827	1.9
145.04924	2.0
145.10120	0.5
147.04390	1.5
151.03876	1.2
157.10092	0.3
161.05949	0.4
163.07591	0.7
164.07051	0.4
165.05437	0.4
171.11580	0.3
177.05461	4.2
181.06430	0.7
189.09103	0.4
213.09013	0.4
215.06993	0.6
225.09106	0.7
237.07507	2.2
249.07526	22.3
253.08531	0.4
256.73871	0.4
257.07990	0.5
259.09604	0.3
267.08578	11.9
273.11084	0.7
285.11252	1.9
321.14517	0.7
363.12198	1.6
381.12820	0.6
397.13077	0.6
521.18335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02760	1.8
53.02135	1.5
53.18653	1.8
53.92720	2.1
54.82272	2.3
55.05507	3.8
55.07118	1.7
57.03421	4.9
61.02903	10.0
67.04752	1.9
67.05483	12.0
69.03410	3.7
69.07053	12.6
70.95340	2.0
73.02900	80.2
79.05466	10.7
81.07030	21.0
83.08588	4.6
85.02899	3.2
91.05460	3.3
92.09190	9.6
93.07023	20.5
95.08586	54.8
97.02838	3.0
97.10130	4.4
105.07001	13.9
106.43405	1.9
106.59859	2.1
107.08591	35.8
109.10152	30.2
115.03878	3.0
119.08552	49.1
121.10126	28.7
123.11685	8.5
133.10089	30.4
135.11652	25.1
145.10146	5.0
147.11656	20.9
149.13249	11.7
159.11711	3.7
161.13228	14.8
163.14819	16.3
173.13269	2.6
175.14799	16.9
177.16336	11.4
187.14746	4.8
189.16357	48.7
191.16235	4.0
191.17918	79.7
201.16330	9.3
203.17909	100.0
217.19611	7.9
231.20927	8.2
263.20062	13.7
350.99149	2.5
388.50888	2.1
393.35031	5.4
411.35907	3.6
453.37231	19.5
603.42566	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67701	0.4
55.05502	4.6
57.03427	6.3
57.07069	0.8
58.77519	0.4
59.04998	0.5
59.39426	0.4
61.02916	12.0
69.03410	3.8
69.07054	7.1
71.01334	2.9
73.02898	100.0
79.05460	4.8
79.30120	0.5
81.03392	0.6
81.07030	13.5
81.07468	0.8
83.08603	4.0
85.02892	4.6
85.54924	0.5
87.04436	0.8
91.05466	3.4
92.09081	2.7
93.07020	13.4
93.07560	0.7
95.08582	39.4
97.02869	2.6
97.06490	0.7
97.10129	3.9
105.07008	12.8
105.07648	0.6
107.08571	24.7
109.10139	21.7
111.11685	0.6
115.03909	6.4
119.08556	40.1
121.10123	24.1
123.11683	6.1
131.08569	2.3
133.10101	27.0
135.11664	19.3
137.13287	3.1
145.10106	4.4
147.11665	17.6
149.13226	8.3
157.97876	0.5
159.11705	5.0
161.09732	0.5
161.13213	13.1
163.14786	12.1
171.11710	0.7
173.13243	4.0
175.14774	9.6
177.16325	7.2
187.14784	6.1
189.16347	43.1
191.17909	56.9
197.56277	0.5
199.14853	0.7
201.16357	9.7
203.17920	65.6
205.19518	1.8
207.17432	0.7
213.16263	0.6
215.17943	4.5
217.19427	5.6
219.21118	0.6
227.18077	0.6
229.19528	2.5
231.21037	3.8
243.21216	0.7
245.22571	0.8
249.18501	3.1
257.22574	0.9
259.24210	0.5
261.18445	2.1
263.19980	9.3
269.22729	0.6
271.24167	1.1
275.20294	0.6
280.74603	0.5
297.25748	0.7
357.27966	0.7
393.35040	8.5
401.60623	0.6
411.36298	5.5
420.44876	0.5
421.34808	0.9
447.29337	0.6
453.37262	11.3
459.30426	0.5
603.42432	94.0
604.42297	1.2
620.43097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3878
Annotation	25-Anhydrocimigenol-3-O-beta-xyloside
Peak:m/z	Relative Intensity
51.45433	1.6
51.65241	1.8
57.03421	3.5
61.02908	4.4
69.03411	2.5
73.02899	60.6
73.18111	2.0
76.87701	2.8
78.32302	1.9
81.07041	10.1
82.93321	2.1
85.02873	4.6
91.38256	2.1
91.74615	2.3
92.08968	18.6
93.07024	4.5
94.09506	2.1
95.04935	3.3
95.08569	12.0
99.16373	2.5
103.88670	2.1
105.07026	9.8
107.08566	9.4
109.10123	3.6
115.03944	3.4
118.84811	2.2
119.08534	12.0
121.10122	2.9
123.11608	3.3
131.08533	2.5
133.10092	10.3
135.11714	3.5
137.05928	2.9
143.08498	2.3
145.10110	8.3
147.11642	3.9
149.13318	2.3
159.11668	2.6
162.35362	2.2
171.11765	2.4
175.14795	9.8
185.13152	2.8
187.14796	3.4
189.16351	16.4
199.14880	2.5
217.15800	5.0
262.25018	2.4
299.34769	2.6
328.01941	2.1
337.69977	2.2
407.33026	3.1
425.33856	3.4
443.62939	2.6
453.33533	21.4
471.34387	5.2
603.29639	3.7
603.38843	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	602.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01863	0.3
56.27051	0.1
60.32538	0.2
65.94166	0.1
66.16924	0.1
67.05483	0.3
68.32571	0.1
69.03401	0.8
69.07043	0.2
70.06573	0.3
71.04975	0.2
74.21336	0.2
78.04692	1.3
79.05468	3.3
81.03396	0.8
81.07030	0.9
82.28662	0.2
83.04973	0.3
85.02882	1.3
85.06532	0.3
86.09685	0.2
91.05455	1.7
93.07037	1.2
95.04919	1.4
95.08580	0.3
97.02863	0.4
103.05441	3.8
105.03366	2.1
105.07014	5.8
106.04218	1.2
107.04192	0.2
107.04934	6.6
107.08548	0.2
109.02793	0.4
109.06479	1.0
109.10149	0.4
110.07141	1.0
115.05426	1.5
117.06960	1.4
119.04955	0.3
119.08530	0.2
121.02814	0.2
121.06483	1.7
122.03623	0.3
123.04400	5.9
123.08035	0.6
124.05198	3.2
125.05962	0.8
127.03855	0.2
129.06969	1.0
131.04898	6.5
131.08527	1.0
132.05696	0.3
133.06471	5.7
134.03575	0.3
135.04366	0.2
135.08029	1.4
137.02284	0.2
137.05948	2.9
141.06950	0.7
143.04959	0.3
143.05997	0.3
143.08549	0.4
144.05663	0.8
145.06483	2.8
145.10100	0.4
147.04449	1.6
147.08041	0.7
149.06009	0.9
151.03874	1.3
151.07512	2.4
152.04672	2.1
153.05440	0.6
156.05719	0.3
157.06493	0.6
158.07228	1.4
159.07986	1.5
160.05141	0.7
161.05952	7.4
161.09663	0.2
162.06635	0.2
163.07504	10.7
165.09044	0.7
166.06181	0.3
167.06998	100.0
168.07349	0.4
169.06424	0.3
171.61275	0.2
172.05199	0.3
173.05905	1.4
173.09569	1.5
175.07542	1.7
177.05420	0.2
177.09097	1.4
178.06163	0.2
179.06944	1.9
181.08546	3.9
186.06746	0.3
187.07492	2.4
189.09047	0.7
191.06966	0.3
192.07806	1.1
193.08554	11.4
195.10129	0.2
201.09076	2.0
203.08575	0.3
205.08586	0.9
207.10103	1.0
217.08543	1.0
218.09409	0.2
219.08170	0.3
219.10132	2.6
220.08803	0.2
221.11571	0.2
231.08014	0.8
233.11670	1.7
237.11150	1.7
248.08212	0.3
251.12646	0.8
259.07462	0.3
263.10590	0.8
265.08658	0.2
277.08673	0.2
291.10004	0.7
294.28900	0.2
295.09509	0.2
295.13074	0.3
313.10611	0.3
323.12573	1.5
345.13156	0.4
355.15320	6.1
361.28241	0.2
387.17950	8.2
395.18283	0.2
405.18979	17.8
406.19159	0.3
423.20038	1.0
440.23859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25982	0.1
53.03925	0.2
53.35794	0.1
55.01857	0.4
57.03422	0.2
65.03933	0.1
65.21129	0.1
67.05467	0.3
69.03404	0.7
71.30171	0.1
74.67651	0.1
78.04705	1.6
79.05059	0.2
79.05474	3.6
80.80813	0.1
81.03375	0.3
81.07022	0.6
81.14146	0.1
85.02883	1.3
87.04998	0.1
91.05456	2.0
92.08638	0.1
92.09120	0.4
93.07011	0.8
95.04950	1.4
95.08550	0.2
97.02850	0.8
103.05447	3.8
105.03397	0.2
105.04453	0.2
105.06361	0.3
105.07008	5.5
106.04150	1.6
107.04934	7.2
109.02851	0.3
109.06477	0.6
112.59396	0.2
115.05440	1.6
117.07017	1.0
119.04915	0.6
121.06458	2.1
121.95599	0.1
122.03626	0.2
123.04391	5.9
123.07989	0.3
124.05181	3.0
125.05953	0.6
127.03872	0.2
129.06987	0.7
131.03946	0.3
131.04895	7.3
131.08531	1.0
132.05673	0.3
133.06458	6.4
134.03581	0.6
135.04353	0.2
135.08041	1.3
136.05177	0.3
137.05956	2.5
141.06956	0.9
143.04918	0.5
143.05974	0.3
143.08527	0.3
144.05679	0.6
145.06461	2.2
145.10179	0.2
147.04375	1.3
147.07979	0.3
149.05951	0.8
150.06715	0.1
151.03865	1.2
151.07512	2.8
152.04665	2.5
153.05446	0.6
153.07071	0.2
157.06421	0.7
158.07249	1.1
159.08054	2.2
159.37355	0.2
160.05112	0.3
161.05943	6.4
161.07191	0.2
163.07506	10.2
165.09006	0.3
166.06303	0.2
167.06995	100.0
168.07541	0.7
169.06400	0.2
171.08008	0.3
172.05081	0.2
173.05916	1.3
173.09558	1.6
175.07468	2.1
177.05383	0.2
177.09119	1.1
178.06172	0.3
179.06995	1.8
179.08475	0.2
181.08557	3.4
186.06711	0.3
187.07504	2.5
189.09119	0.6
191.07039	0.3
192.07826	0.8
193.08562	12.9
201.09106	1.7
203.08566	0.3
205.08496	1.0
206.09302	0.2
207.10097	0.8
217.08537	0.8
219.10103	1.7
220.08820	0.2
221.11676	0.2
231.08040	0.6
233.11688	1.9
235.11090	0.3
237.11154	2.4
248.08220	0.3
251.12656	1.0
263.10620	0.6
265.08594	0.2
291.10071	0.9
295.09573	0.2
295.13049	0.6
323.12683	1.2
324.13428	0.2
355.15295	5.5
355.19455	0.3
372.15341	0.2
387.17938	7.2
405.18985	17.5
406.19208	0.2
423.19952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17273	0.4
53.03934	1.1
55.01860	4.0
55.05501	0.7
57.03437	0.8
57.07053	0.5
57.78164	0.4
64.34066	0.4
65.03601	1.0
65.03925	24.3
67.05177	0.4
67.05476	4.1
69.03411	2.7
69.07052	2.0
71.04946	0.7
75.04452	0.8
79.05478	4.1
81.03395	4.8
81.07035	2.2
82.04178	5.2
83.04948	2.3
85.02894	4.7
85.06506	1.0
86.06033	0.5
88.35790	0.4
91.05453	11.7
93.03384	12.1
93.07012	3.3
94.04151	0.6
95.01311	2.2
95.04945	6.1
95.08593	2.1
96.07259	0.5
97.02851	1.1
97.06506	2.7
99.04453	2.0
103.05444	2.2
105.03370	10.6
105.04487	1.0
105.06994	4.5
106.04178	3.6
107.04324	0.6
107.04941	6.1
107.08562	1.1
108.02063	3.1
109.02863	1.1
109.06489	2.0
109.10093	1.9
109.56633	0.4
110.02911	1.1
110.03640	26.2
110.96300	0.5
111.04422	40.5
115.05435	2.0
117.06985	2.1
118.04037	0.6
119.04915	13.1
119.08530	2.2
121.02838	25.1
121.03745	1.1
121.06472	6.3
121.10089	1.2
122.03610	1.1
123.04376	3.0
123.08028	1.9
125.05962	36.5
127.03903	1.0
128.06114	0.8
129.06987	2.2
131.02705	0.6
131.04897	5.2
131.08492	0.7
133.02826	1.1
133.06476	3.7
133.10063	1.2
135.04417	0.7
135.08144	0.6
137.05949	29.0
137.09566	2.8
138.03088	3.1
143.04909	0.5
143.08527	0.6
145.02820	0.7
145.06427	4.2
145.10159	1.2
146.07266	2.1
147.04378	13.5
147.08008	2.8
147.11575	0.6
148.05153	1.0
149.02299	0.6
149.05966	6.8
151.03879	4.0
151.07541	4.8
153.05438	100.0
157.06432	1.0
157.10071	0.5
158.07289	0.5
159.08044	5.6
160.05162	0.8
161.05945	5.0
161.09515	0.5
162.06680	0.8
163.03873	0.9
163.07500	1.2
165.05505	1.1
165.06950	2.2
167.06998	13.2
167.08455	0.8
171.04279	0.8
171.11444	0.6
173.05904	0.7
174.06715	3.3
175.07530	8.5
176.04709	0.5
177.05418	6.7
177.06847	1.1
178.07774	1.1
179.06993	4.7
179.08530	2.3
181.04927	2.4
181.06412	1.2
181.08571	2.4
181.10078	0.6
182.07214	1.9
183.07990	0.6
185.05951	0.7
186.06624	0.9
187.07530	3.4
189.05408	0.8
189.09047	0.6
190.07733	1.2
191.06995	2.6
191.08548	3.6
192.07709	1.0
193.06622	0.8
193.08438	0.7
193.10129	0.6
194.07204	2.3
195.07996	5.0
197.09583	2.1
199.07426	0.7
204.07782	2.9
205.06619	1.5
205.08603	2.7
206.07222	2.0
207.08037	3.4
208.08754	2.1
209.08032	6.6
209.09595	1.0
210.06746	2.3
211.07504	3.5
211.11005	0.5
212.16359	0.8
213.08971	0.9
216.07758	4.9
217.08528	1.0
218.07233	2.9
219.07982	6.2
220.08751	4.2
221.05962	2.9
221.09583	1.2
222.06721	1.0
223.07553	4.7
223.11101	0.8
224.08272	2.8
225.09039	5.4
226.06183	4.6
226.09744	1.0
229.08595	2.8
233.06012	0.6
233.09598	0.8
235.07542	3.9
236.08235	5.9
237.09064	3.8
238.06151	2.7
239.06937	5.7
239.10631	2.9
240.07639	2.3
241.08511	1.9
246.06738	1.0
247.07393	2.4
247.09605	16.6
248.08182	2.2
249.09097	2.2
250.06239	0.7
250.09752	0.8
251.07074	3.6
251.10565	7.6
252.07660	0.9
253.08539	19.7
254.09250	5.9
255.06133	0.7
255.10106	1.1
261.08914	0.6
263.06863	2.1
264.07745	4.4
265.08530	4.5
266.09256	3.6
267.10425	3.5
268.07361	0.6
268.10782	0.9
269.11636	9.6
270.08810	1.1
275.06946	0.6
276.07852	0.8
277.08612	2.1
278.09335	0.9
279.06570	0.7
279.10098	4.0
281.08002	3.2
282.08759	4.3
283.09521	2.7
291.10040	1.8
293.08075	2.0
294.08798	3.1
295.09482	4.0
296.10245	1.0
297.08118	0.6
297.11154	15.7
299.09149	0.8
307.09610	11.0
308.10269	0.9
309.07394	0.6
309.11102	1.2
310.08499	0.6
311.08978	2.4
311.12512	0.6
313.10587	0.7
321.11093	0.8
323.08932	0.6
325.10620	55.1
326.11255	3.0
327.12231	2.8
329.13892	1.1
337.10529	3.0
339.12183	19.7
340.12872	4.3
341.13727	3.0
351.12177	0.6
353.13885	0.7
355.11816	1.7
357.13232	52.8
369.13165	3.8
370.14017	3.7
387.14206	3.3
499.17188	0.9
517.18939	0.8
602.27838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17273	0.4
53.03934	1.1
55.01860	4.0
55.05501	0.7
57.03437	0.8
57.07053	0.5
57.78164	0.4
64.34066	0.4
65.03601	1.0
65.03925	24.3
67.05177	0.4
67.05476	4.1
69.03411	2.7
69.07052	2.0
71.04946	0.7
75.04452	0.8
79.05478	4.1
81.03395	4.8
81.07035	2.2
82.04178	5.2
83.04948	2.3
85.02894	4.7
85.06506	1.0
86.06033	0.5
88.35790	0.4
91.05453	11.7
93.03384	12.1
93.07012	3.3
94.04151	0.6
95.01311	2.2
95.04945	6.1
95.08593	2.1
96.07259	0.5
97.02851	1.1
97.06506	2.7
99.04453	2.0
103.05444	2.2
105.03370	10.6
105.04487	1.0
105.06994	4.5
106.04178	3.6
107.04324	0.6
107.04941	6.1
107.08562	1.1
108.02063	3.1
109.02863	1.1
109.06489	2.0
109.10093	1.9
109.56633	0.4
110.02911	1.1
110.03640	26.2
110.96300	0.5
111.04422	40.5
115.05435	2.0
117.06985	2.1
118.04037	0.6
119.04915	13.1
119.08530	2.2
121.02838	25.1
121.03745	1.1
121.06472	6.3
121.10089	1.2
122.03610	1.1
123.04376	3.0
123.08028	1.9
125.05962	36.5
127.03903	1.0
128.06114	0.8
129.06987	2.2
131.02705	0.6
131.04897	5.2
131.08492	0.7
133.02826	1.1
133.06476	3.7
133.10063	1.2
135.04417	0.7
135.08144	0.6
137.05949	29.0
137.09566	2.8
138.03088	3.1
143.04909	0.5
143.08527	0.6
145.02820	0.7
145.06427	4.2
145.10159	1.2
146.07266	2.1
147.04378	13.5
147.08008	2.8
147.11575	0.6
148.05153	1.0
149.02299	0.6
149.05966	6.8
151.03879	4.0
151.07541	4.8
153.05438	100.0
157.06432	1.0
157.10071	0.5
158.07289	0.5
159.08044	5.6
160.05162	0.8
161.05945	5.0
161.09515	0.5
162.06680	0.8
163.03873	0.9
163.07500	1.2
165.05505	1.1
165.06950	2.2
167.06998	13.2
167.08455	0.8
171.04279	0.8
171.11444	0.6
173.05904	0.7
174.06715	3.3
175.07530	8.5
176.04709	0.5
177.05418	6.7
177.06847	1.1
178.07774	1.1
179.06993	4.7
179.08530	2.3
181.04927	2.4
181.06412	1.2
181.08571	2.4
181.10078	0.6
182.07214	1.9
183.07990	0.6
185.05951	0.7
186.06624	0.9
187.07530	3.4
189.05408	0.8
189.09047	0.6
190.07733	1.2
191.06995	2.6
191.08548	3.6
192.07709	1.0
193.06622	0.8
193.08438	0.7
193.10129	0.6
194.07204	2.3
195.07996	5.0
197.09583	2.1
199.07426	0.7
204.07782	2.9
205.06619	1.5
205.08603	2.7
206.07222	2.0
207.08037	3.4
208.08754	2.1
209.08032	6.6
209.09595	1.0
210.06746	2.3
211.07504	3.5
211.11005	0.5
212.16359	0.8
213.08971	0.9
216.07758	4.9
217.08528	1.0
218.07233	2.9
219.07982	6.2
220.08751	4.2
221.05962	2.9
221.09583	1.2
222.06721	1.0
223.07553	4.7
223.11101	0.8
224.08272	2.8
225.09039	5.4
226.06183	4.6
226.09744	1.0
229.08595	2.8
233.06012	0.6
233.09598	0.8
235.07542	3.9
236.08235	5.9
237.09064	3.8
238.06151	2.7
239.06937	5.7
239.10631	2.9
240.07639	2.3
241.08511	1.9
246.06738	1.0
247.07393	2.4
247.09605	16.6
248.08182	2.2
249.09097	2.2
250.06239	0.7
250.09752	0.8
251.07074	3.6
251.10565	7.6
252.07660	0.9
253.08539	19.7
254.09250	5.9
255.06133	0.7
255.10106	1.1
261.08914	0.6
263.06863	2.1
264.07745	4.4
265.08530	4.5
266.09256	3.6
267.10425	3.5
268.07361	0.6
268.10782	0.9
269.11636	9.6
270.08810	1.1
275.06946	0.6
276.07852	0.8
277.08612	2.1
278.09335	0.9
279.06570	0.7
279.10098	4.0
281.08002	3.2
282.08759	4.3
283.09521	2.7
291.10040	1.8
293.08075	2.0
294.08798	3.1
295.09482	4.0
296.10245	1.0
297.08118	0.6
297.11154	15.7
299.09149	0.8
307.09610	11.0
308.10269	0.9
309.07394	0.6
309.11102	1.2
310.08499	0.6
311.08978	2.4
311.12512	0.6
313.10587	0.7
321.11093	0.8
323.08932	0.6
325.10620	55.1
326.11255	3.0
327.12231	2.8
329.13892	1.1
337.10529	3.0
339.12183	19.7
340.12872	4.3
341.13727	3.0
351.12177	0.6
353.13885	0.7
355.11816	1.7
357.13232	52.8
369.13165	3.8
370.14017	3.7
387.14206	3.3
499.17188	0.9
517.18939	0.8
602.27838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01862	0.9
55.05503	0.8
56.96548	0.4
57.03417	2.3
57.07071	0.7
65.05086	0.4
67.05483	0.9
69.03416	8.2
69.07041	0.7
71.04980	0.8
71.99314	0.4
79.05463	7.6
81.03400	14.1
81.07027	1.1
83.04952	0.7
85.02885	8.1
85.06546	0.5
91.05457	6.6
92.08999	0.5
93.07027	4.9
95.04945	7.2
95.08588	0.8
97.02869	9.3
97.06509	0.4
99.04456	3.1
103.05447	4.5
105.03372	83.0
105.06993	2.5
106.03664	0.8
107.04941	3.5
107.08543	0.9
109.02866	6.5
109.06425	0.6
109.10143	0.7
111.04449	0.6
117.03382	0.9
117.34763	0.4
119.04935	1.8
119.08576	0.5
120.08086	0.6
121.06481	11.3
121.10094	1.1
123.04406	11.6
124.05182	0.5
125.05906	0.5
127.03921	3.5
131.04901	6.2
133.02837	1.8
133.06448	1.0
133.10222	0.6
134.03577	0.5
135.04387	2.9
135.08070	0.4
136.07561	1.9
137.05952	7.9
140.04636	3.7
145.02814	2.3
145.04918	0.6
147.04398	2.7
148.05135	2.7
149.05954	21.3
151.07523	0.8
152.04637	0.6
153.05452	2.4
155.07007	2.3
159.04364	5.0
161.05910	0.8
162.03032	0.6
163.03864	3.8
163.07498	1.9
165.05428	2.7
166.06200	1.0
167.06999	100.0
168.07323	0.6
173.05937	0.5
176.04681	1.9
177.05426	38.0
179.06947	1.5
181.04907	1.8
181.08536	1.7
182.05698	6.7
183.06436	0.9
191.06950	2.4
193.04904	1.0
193.08604	2.0
194.05687	4.0
195.06520	0.7
197.07979	0.8
207.06590	0.6
208.07162	0.7
209.06061	0.8
209.08043	20.7
211.09650	0.8
212.06779	1.0
225.07529	2.6
227.09097	39.1
231.06467	0.8
249.07518	8.5
259.46436	0.5
267.08597	6.0
283.11722	0.8
285.13397	0.6
301.12759	38.3
352.93967	0.5
550.31104	0.5
553.80298	0.4
601.27789	1.0
602.27734	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.01855	0.6
57.03417	2.2
67.05481	0.7
69.03413	7.2
71.04958	1.8
73.02883	0.6
73.07430	0.4
73.37118	0.4
76.81013	0.4
77.03906	0.5
78.04636	0.4
79.05462	6.2
81.03397	12.4
81.07030	2.3
83.04931	0.5
85.02888	8.3
88.03338	0.4
89.03937	0.4
91.05447	4.5
92.08759	0.6
92.83553	0.4
93.07020	3.6
95.04951	7.1
95.08587	1.7
97.02860	7.2
97.72501	0.5
99.04414	2.4
103.05442	3.9
105.03372	81.3
105.04494	2.0
105.06998	1.8
107.04945	4.1
107.08564	1.1
109.02866	6.1
109.06506	0.7
111.04370	0.5
117.03333	0.6
119.04914	1.0
121.06488	11.1
123.04408	9.8
124.05219	0.5
127.03895	3.4
131.04921	5.7
133.02794	2.2
133.06358	0.6
135.04364	1.9
136.07545	1.9
137.05951	7.3
140.04671	2.5
145.02798	3.0
145.04933	0.8
145.10098	0.6
147.04398	2.2
148.05222	1.7
149.05959	15.3
150.20763	0.5
152.04683	0.6
153.05412	2.0
155.07018	2.5
159.04385	4.6
159.53224	0.4
161.05966	1.5
163.03900	3.5
163.07442	0.7
165.05447	3.1
166.06215	0.5
167.06998	100.0
176.04527	0.6
177.05426	36.3
179.06979	2.2
181.08556	1.7
182.05708	6.9
183.06517	0.6
191.06967	3.2
193.04958	0.5
193.08551	2.8
194.05688	3.8
195.06482	0.8
197.08125	1.5
208.07205	0.5
209.08052	20.9
211.09642	0.7
212.06783	1.6
225.07520	2.5
227.09094	33.8
231.06566	0.4
249.07483	5.5
267.08633	4.3
267.11215	0.4
271.11731	1.0
283.11612	0.5
285.12936	0.7
301.12723	33.7
494.56604	0.4
550.97449	0.5
601.28381	1.6
602.27863	0.6
612.11401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32283	1.3
51.10802	1.6
52.51077	1.4
53.03921	1.6
55.05499	11.3
56.36688	1.5
57.03409	1.4
57.07061	15.4
59.04988	2.6
65.03912	2.2
67.05484	25.1
67.33595	1.7
69.03407	15.3
69.07043	7.9
71.01308	1.3
76.29991	1.6
78.40932	1.5
79.05465	20.5
80.01830	1.4
81.07032	34.2
82.23092	1.3
83.04948	7.8
83.08600	2.2
85.06518	4.0
91.05453	39.2
92.06255	2.0
92.08998	2.3
93.07014	55.7
94.07345	1.7
95.04963	12.5
95.08580	35.7
97.06512	4.3
97.78909	1.7
103.05432	3.1
105.07008	73.1
107.08566	39.8
109.06503	19.8
109.10138	11.4
112.26090	2.0
115.05439	3.1
117.06995	21.5
118.07130	1.9
119.08549	76.8
120.08896	3.9
121.06478	8.2
121.10138	23.0
123.08029	23.9
123.11637	2.7
125.05952	3.6
128.06145	3.8
129.06973	11.3
130.07764	4.0
131.08530	29.3
133.06479	2.8
133.10097	30.9
134.10402	1.9
135.08022	21.1
135.11684	8.0
137.05956	3.1
137.09601	20.9
141.06996	3.2
142.07738	10.4
143.08536	23.3
144.09247	3.4
145.06488	2.5
145.10097	47.9
146.10385	3.9
147.08041	43.0
147.11687	3.9
148.08377	3.5
149.09605	13.0
151.07535	15.7
155.08516	10.4
156.09305	12.6
157.10100	36.1
158.10498	6.7
159.08070	7.0
159.11668	28.7
160.12106	2.5
161.09598	7.6
161.13200	8.6
163.11177	17.6
165.09068	68.0
166.09377	6.7
167.08502	6.8
168.09271	3.6
169.10094	19.8
170.10716	8.2
171.11642	19.9
173.09570	11.4
173.13222	8.9
175.11162	9.1
175.14827	2.6
176.11523	2.6
179.08585	2.4
180.09277	2.9
181.10054	6.8
181.12189	10.2
182.10838	7.1
183.11595	18.0
184.12241	2.4
185.13196	7.2
187.11169	6.5
187.14745	2.8
189.12621	7.2
191.10712	1.8
191.13992	1.7
193.10088	3.7
193.12163	7.6
194.10779	2.4
195.11620	14.7
196.12372	3.8
196.68022	2.0
197.11511	1.9
197.13210	14.6
198.13780	2.4
199.11160	2.8
200.11861	1.9
201.12656	3.4
203.14253	24.9
207.11723	3.8
207.13777	6.9
208.14339	3.0
209.09531	2.0
209.13240	8.3
210.13834	1.9
211.14778	8.1
213.12662	7.3
215.14365	1.8
219.11594	2.1
219.13742	4.2
221.13290	7.4
221.15303	100.0
222.15619	10.9
223.14738	2.8
225.12663	2.5
227.17635	1.9
234.16029	7.1
235.14781	2.6
237.16283	2.0
239.14130	2.2
239.17737	2.1
247.16881	9.2
251.17802	2.0
253.15759	2.6
271.16583	2.2
274.19147	3.1
286.19287	2.3
287.19937	4.0
299.19861	6.6
300.20593	3.0
312.20667	2.7
313.21390	3.5
318.86841	1.7
322.87430	1.9
325.21545	9.1
326.21964	4.1
332.87726	1.9
340.23743	8.1
341.24347	3.3
352.23999	12.4
353.24127	8.9
367.26184	8.0
425.26385	2.8
426.27426	3.1
427.27969	7.9
428.28458	3.6
440.29153	17.2
441.29584	14.7
491.35056	11.8
514.44092	2.5
520.35138	10.2
521.35718	16.8
583.40686	9.7
601.42126	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14212	1.3
53.00296	2.4
53.03941	2.3
55.01868	2.4
55.05506	26.1
56.16629	1.6
57.07060	10.0
58.99680	1.4
59.97921	1.6
64.50134	1.5
67.05492	34.1
69.02921	1.7
69.03407	15.5
69.07063	21.3
71.04979	8.2
79.05471	42.2
80.06264	2.3
81.07034	40.1
83.04966	17.7
83.08613	14.5
85.06524	10.1
87.04441	3.1
89.06007	15.2
91.05465	63.9
92.06258	1.9
92.09112	8.3
93.07025	65.1
95.04960	23.4
95.08580	28.4
97.06528	13.4
98.37612	1.8
103.05441	7.0
105.07015	100.0
107.04961	2.2
107.08574	57.6
109.06493	20.1
109.10133	27.3
111.08099	4.0
115.05439	4.2
117.07003	28.2
119.04910	7.2
119.05964	1.7
119.08559	76.5
121.06483	17.0
121.10117	40.5
123.08044	27.2
123.11683	3.7
125.09618	11.1
128.06206	19.0
129.06996	29.7
130.07794	9.9
131.08548	58.1
132.09308	2.1
133.06473	2.2
133.08586	3.7
133.10103	50.5
135.08022	19.6
135.11684	10.8
137.09596	8.0
139.11205	2.2
141.06973	11.8
142.06778	2.6
142.07774	30.2
143.08549	60.1
143.09607	3.2
144.09322	16.4
145.06528	4.2
145.10100	60.4
146.07254	2.4
147.04382	10.6
147.08038	14.3
147.11635	20.8
148.04912	2.3
148.08638	2.1
149.09583	19.5
150.33934	2.0
151.07585	6.0
153.06926	3.5
154.07802	3.6
155.08533	27.1
155.10623	3.1
156.09322	30.8
157.10100	60.9
158.07312	2.3
158.10895	11.4
159.08035	18.0
159.11668	43.0
160.08859	2.9
161.09595	16.4
161.13240	3.6
163.11169	4.3
165.06976	4.5
165.09084	3.6
166.07719	6.9
167.08545	12.7
167.10677	12.5
168.09331	8.4
169.10071	37.6
170.10849	14.7
171.08040	2.6
171.11667	41.0
172.12466	4.0
173.09578	10.5
173.13208	21.4
175.11180	13.2
175.14775	3.5
179.08501	18.6
180.09209	5.7
181.10077	26.4
182.10909	11.1
183.11620	31.7
184.12502	2.6
185.09550	3.8
185.13284	18.4
187.11200	8.8
187.14871	4.3
189.12727	4.2
190.13431	2.4
191.08611	2.3
192.09355	8.4
193.10138	23.9
193.11803	3.0
194.10951	16.8
195.11658	35.9
196.12434	9.0
197.09627	3.3
197.13237	25.4
199.11221	8.5
199.14824	11.1
201.12737	4.2
203.14307	9.8
205.10100	3.8
206.10867	12.7
207.11670	19.9
207.13461	2.4
208.12491	11.1
209.13239	21.5
210.13992	3.5
211.11256	3.7
211.14799	19.8
213.12724	9.5
213.16370	2.2
215.14241	7.1
217.10114	6.8
217.15855	2.9
217.99422	2.1
218.10983	2.4
219.11671	7.8
219.13646	2.0
220.12483	7.3
221.09663	2.3
221.13243	17.0
221.15361	11.0
222.13890	3.2
223.14769	13.2
225.12733	3.7
225.16330	7.9
227.14279	6.8
227.17924	3.4
229.15874	2.8
231.11678	7.3
233.13220	6.3
233.15338	20.1
234.13972	3.8
235.14754	11.5
237.16385	13.4
245.13194	8.2
247.14722	8.2
248.15514	3.2
249.16386	3.2
253.15993	2.1
255.17415	24.3
259.14639	2.4
261.16428	7.1
263.18033	2.8
265.19370	2.0
269.19009	7.7
269.21930	2.0
270.19846	2.4
273.18671	2.6
287.20035	3.4
295.20602	2.8
299.20282	2.6
327.20834	2.0
360.24100	2.7
383.25858	4.5
415.25415	4.3
594.15533	2.5
600.41174	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.3
55.05498	21.6
57.07064	12.2
59.04977	3.3
67.05499	34.0
69.03412	17.4
69.07050	16.4
72.59986	2.8
79.05466	40.9
81.03396	3.1
81.07037	40.7
83.04960	16.6
83.08585	6.6
85.06571	5.8
91.05466	62.9
92.09141	24.5
93.07019	70.1
95.04964	21.2
95.08579	30.7
96.05648	3.3
97.06504	15.5
103.05466	4.6
105.07020	100.0
106.38634	3.0
107.04944	3.8
107.08571	67.6
109.06506	18.4
109.10149	25.9
111.08082	3.3
115.05428	7.2
117.07021	28.0
117.31258	3.2
119.08563	84.2
121.06492	15.9
121.10132	54.7
123.08055	33.1
125.09578	7.0
128.06200	6.7
129.06999	29.7
130.07788	6.1
131.08554	52.1
133.06447	4.6
133.10095	43.2
135.08054	23.1
135.11688	7.1
137.09619	12.2
139.11137	3.7
141.06989	13.1
142.07765	45.1
143.08557	61.1
144.09338	16.5
145.06520	6.2
145.10120	80.7
147.07999	29.6
147.11716	19.3
149.09615	20.1
151.07576	6.6
153.06984	6.6
155.08553	30.9
156.09323	37.7
157.10121	76.9
158.10890	4.4
159.08040	23.6
159.11693	38.2
161.09595	15.4
161.13200	4.0
163.11183	5.3
165.06958	13.7
165.09100	21.4
167.08539	14.0
167.10684	5.0
168.09294	6.1
169.10081	34.6
170.10851	13.9
171.11641	38.1
172.12549	3.5
173.09595	5.9
173.13214	17.5
174.10320	5.5
175.11165	20.5
179.08488	21.4
180.09309	6.9
181.10094	19.2
182.10880	4.9
183.11620	24.2
185.09650	3.6
185.13219	22.4
187.11165	5.1
187.15001	4.5
189.12692	12.9
190.13428	4.2
193.10091	21.2
193.12270	4.2
194.10860	17.1
195.11694	32.5
196.12469	6.7
197.13231	17.5
199.11174	6.9
199.14832	5.3
203.14288	17.8
205.10031	3.9
206.10863	5.8
206.12759	3.4
207.11705	18.5
207.13647	5.3
208.12436	6.1
209.13203	23.9
211.14819	19.5
213.12698	12.8
213.16423	4.5
215.14308	12.8
219.11726	6.8
220.12402	6.0
221.13277	13.6
221.15356	34.5
223.11349	4.7
223.14841	4.5
225.12788	3.6
233.13258	6.9
233.15308	15.1
234.16103	5.4
235.14796	11.6
237.14584	6.8
237.16599	5.2
244.12335	3.4
245.13069	4.8
249.16312	6.5
251.18050	4.2
253.15727	5.9
255.17390	27.9
271.17090	4.1
273.16190	4.3
277.19281	3.4
279.17282	3.5
281.19022	4.6
284.20953	3.3
286.19370	4.6
299.19855	6.2
303.19495	7.1
352.23920	35.4
365.24588	5.2
507.34283	3.9
520.35583	27.9
600.41107	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
55.05504	26.1
57.07070	13.3
59.04977	2.6
65.03927	3.1
67.05499	29.0
69.03429	12.4
69.07063	15.4
71.04966	2.9
74.94082	2.2
75.01499	2.2
79.05481	40.9
81.07044	38.5
83.04963	15.0
83.08608	11.9
83.19690	2.0
84.53873	2.8
85.06527	4.9
91.05460	56.9
92.09142	11.1
93.07026	66.7
93.07567	3.8
95.04948	26.3
95.08580	36.0
97.06497	10.0
102.66356	2.7
103.05472	3.8
105.07013	100.0
106.07780	2.6
107.08579	63.4
109.06519	14.8
109.10130	31.6
111.08099	5.9
115.05450	3.8
117.07012	28.5
119.06157	2.9
119.08563	84.2
121.06477	12.0
121.10140	45.0
123.08049	33.9
123.11693	3.0
125.09576	4.8
128.06203	18.5
129.06964	22.1
130.07759	6.3
131.08556	56.2
132.09265	2.4
133.06514	2.7
133.10115	49.8
135.08043	17.0
135.11688	4.4
137.09625	5.1
139.11191	3.4
141.06970	15.1
142.07767	42.5
143.08559	55.6
144.09344	10.3
145.06496	10.6
145.10118	70.6
146.10878	2.6
147.08058	14.9
147.10658	3.3
147.11641	23.5
149.09630	17.3
151.07530	4.1
154.07761	5.6
155.08549	23.7
155.10616	6.0
156.09334	30.3
157.10110	66.6
158.10895	11.1
159.08028	21.4
159.11638	34.9
160.08788	3.9
161.08415	2.6
161.09567	18.4
161.13174	3.8
163.11159	2.8
165.07005	13.0
165.09116	3.2
166.07782	4.9
167.08531	15.5
167.10670	10.0
168.09442	8.4
169.10097	40.1
170.10901	14.4
171.11650	44.9
173.09605	6.0
173.13194	18.1
175.11182	15.6
179.08501	21.1
180.09331	14.3
181.10112	29.8
181.12253	3.1
182.10930	14.5
183.11612	29.5
184.12422	5.5
185.09538	3.9
185.13199	31.6
187.11142	4.5
188.56192	2.4
189.12732	10.8
191.08568	3.1
192.09323	5.2
193.10211	19.5
193.12009	2.8
194.10893	16.6
195.11693	35.1
196.12411	10.8
197.09514	3.9
197.13275	26.7
198.89249	3.0
199.11124	3.3
199.14819	11.3
202.81593	2.7
203.14355	4.5
205.10010	4.7
206.10907	10.5
207.11707	30.1
208.12474	11.9
209.13246	18.9
210.13966	3.4
211.14725	18.0
213.12671	10.8
215.14365	9.3
217.10086	4.9
219.11687	4.2
220.12485	5.6
221.13177	13.5
221.15343	10.2
222.14034	5.8
223.14780	16.6
225.12837	3.7
225.16383	5.9
227.14391	3.6
230.10938	2.8
231.11725	4.6
232.12529	8.9
233.13213	10.9
233.15385	21.5
234.13963	3.5
234.16138	3.6
235.14894	9.9
237.12883	2.6
237.16393	16.4
241.15981	3.2
246.13844	3.5
247.14749	5.5
249.16316	8.5
253.15924	2.9
255.17403	25.4
259.14676	3.4
261.16333	5.6
263.17877	4.3
277.19632	3.6
281.18918	2.8
285.18680	3.4
295.20435	3.3
365.24609	4.2
383.25693	9.4
500.30975	2.6
549.36761	3.5
567.38635	3.0
568.15497	2.6
600.41473	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	600.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.2
51.02369	0.2
53.00291	0.1
53.03937	2.9
55.01854	0.3
55.05497	0.7
55.55543	0.1
57.03424	0.8
57.07066	1.3
61.02907	0.3
62.94757	0.1
65.03931	0.2
67.05489	3.2
69.03411	7.1
69.07052	4.1
71.04983	1.0
73.02905	0.2
73.45628	0.1
77.03914	0.6
79.05472	9.8
81.03398	14.1
81.07035	64.6
85.02886	8.4
85.03285	0.2
91.05441	0.2
92.09084	0.3
93.07055	0.5
95.04941	4.9
95.08582	14.3
97.02869	8.8
97.06499	0.2
99.04434	1.9
105.03370	100.0
106.03749	0.2
107.08553	0.2
109.02859	9.8
109.10107	1.1
119.08525	0.2
123.04404	11.0
124.56332	0.1
127.03888	6.5
127.04803	0.3
133.10103	0.3
135.11659	0.2
137.13228	6.6
139.89264	0.1
145.04944	1.7
165.05434	0.3
195.06476	0.1
231.06494	1.2
249.07520	23.5
267.08563	27.4
268.08829	0.2
283.15112	0.2
286.10718	0.2
599.33813	0.3
600.34076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74113	0.1
53.03922	0.2
53.42313	0.1
54.81669	0.2
55.01855	0.2
57.03415	0.3
60.62502	0.1
61.02901	0.6
67.05490	0.2
69.03415	1.1
73.02908	0.2
79.05470	0.2
81.03406	0.6
81.12589	0.1
85.02885	2.4
85.78067	0.1
89.03873	0.2
91.05463	1.9
92.08753	0.5
92.09332	0.3
95.12287	0.1
97.02881	1.6
99.04448	0.1
103.05428	0.2
105.03365	0.3
105.06996	1.2
107.04910	0.9
109.02836	0.3
109.95477	0.1
115.05405	1.5
116.06207	0.6
117.03367	0.6
117.07009	1.4
121.06480	0.2
127.03879	0.5
128.06189	2.9
129.06973	8.3
130.07739	0.1
131.04897	0.5
131.08543	9.8
132.05698	0.3
133.06473	1.8
133.10080	0.8
133.22241	0.1
137.05995	0.1
139.05269	0.2
141.06966	2.9
142.07779	1.2
143.08545	1.8
144.05664	3.6
145.02821	2.5
145.04961	0.5
145.06454	3.1
146.07239	1.2
147.04398	0.8
147.07970	0.2
149.05948	0.3
152.04733	0.1
152.06117	0.3
153.05832	0.1
153.06958	1.0
155.06039	0.5
156.05685	0.8
157.06462	4.6
158.07324	1.0
159.08020	18.1
160.05179	0.3
161.05956	1.4
161.09576	4.3
162.07587	0.2
167.04811	0.2
167.07008	4.4
169.06261	0.9
169.07632	1.6
170.07233	3.4
171.08005	4.0
171.09357	0.2
172.05168	1.7
173.05937	2.8
173.09685	0.2
174.06709	1.1
175.07506	1.4
177.05432	4.4
177.22223	0.1
178.06158	0.6
180.08626	0.8
181.06367	0.3
185.05917	0.3
185.42593	0.1
186.06737	0.6
187.07501	11.9
188.08282	0.8
189.05487	0.9
189.09058	5.4
190.06233	0.6
191.07013	0.6
192.07756	0.5
193.08580	0.7
198.06717	1.2
199.07460	1.7
201.05461	0.5
203.07001	2.8
204.07782	8.4
205.08546	1.4
206.09331	0.7
207.10057	0.2
213.09091	0.2
216.07741	2.0
217.08549	0.7
218.09363	0.8
219.10104	2.9
221.08107	0.3
221.11707	1.7
231.10124	4.9
234.08852	0.7
237.11090	0.9
244.25987	0.1
249.11162	100.0
250.11523	1.0
267.12198	1.6
339.10678	0.3
372.00500	0.1
419.67450	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
55.01857	0.3
57.03421	0.3
61.02907	0.2
65.03916	0.2
67.05479	0.3
67.24384	0.1
69.03413	1.5
69.07043	0.1
79.05460	0.6
81.03410	1.1
81.07045	0.2
83.04955	0.3
85.02900	1.9
89.03899	0.2
91.05450	1.9
92.08954	0.8
94.92254	0.1
95.04937	0.7
95.08589	0.3
97.02879	1.2
100.11220	0.3
105.03378	2.8
105.07018	1.4
107.04926	2.3
109.02862	0.3
109.10123	0.3
111.04440	0.3
115.05418	1.4
116.06213	0.3
117.03365	1.8
117.06995	1.2
118.50982	0.1
119.04950	0.3
119.08557	0.4
121.06481	0.3
122.03640	0.2
123.04389	0.3
124.05223	0.1
125.05910	0.1
127.03880	0.3
128.06187	2.5
128.21487	0.1
129.05518	0.2
129.06981	7.7
131.04887	0.6
131.08545	10.4
132.05659	0.2
133.06448	1.6
133.10115	0.9
134.03563	0.1
137.04994	0.3
137.05963	5.1
137.09554	0.6
141.06958	3.5
142.07745	1.0
143.04816	0.2
143.08543	1.7
144.05685	3.6
145.02837	5.8
145.06480	3.3
146.07239	1.2
147.04381	0.8
147.07976	0.3
149.05943	0.9
152.06171	0.1
153.06955	0.9
155.06039	0.3
156.05688	0.8
157.06456	4.5
158.07219	1.1
159.08028	18.5
160.05190	0.3
161.05948	1.1
161.09576	4.8
165.09012	0.2
167.07008	6.1
167.08400	0.3
169.06380	0.7
169.07596	1.6
170.07234	3.8
171.04346	0.3
171.07993	3.6
171.09253	0.2
172.05179	1.4
173.05962	2.5
173.09589	0.3
174.06728	1.1
175.07475	1.8
177.05426	7.8
178.06197	0.8
181.08571	0.3
182.15408	0.2
186.06804	0.2
187.07513	13.3
188.08212	0.8
189.05421	0.8
189.09059	6.2
190.06195	0.3
191.07018	0.7
192.07797	0.6
193.08578	0.3
198.06752	1.2
199.07512	1.7
201.05453	0.7
201.09062	0.6
203.07010	2.2
204.07784	9.3
205.08583	1.1
206.09352	0.8
207.10121	0.3
211.15176	0.2
216.07784	2.9
217.08591	0.6
218.09344	0.8
219.10139	4.6
221.08102	0.6
221.11656	2.2
222.06693	0.1
231.10110	5.2
233.11678	0.9
234.08789	0.3
237.11145	1.0
249.11171	100.0
250.11430	0.8
251.12704	1.3
267.08438	0.2
267.09433	0.2
267.12262	2.7
330.10974	0.2
339.10699	0.3
343.11676	0.2
385.16278	1.1
599.42078	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77815	0.1
60.26049	0.1
62.82138	0.1
69.03401	0.3
70.13149	0.1
78.90604	0.2
79.05465	0.2
79.19849	0.2
84.92648	0.2
85.02882	0.8
91.05461	1.1
92.08752	0.3
92.09223	0.3
95.04943	0.3
97.02858	0.7
104.57520	0.2
105.03403	0.2
105.07005	0.8
107.04960	1.5
115.05422	1.1
116.06219	0.2
117.07019	1.6
119.08490	0.2
121.06467	0.2
123.04395	0.3
128.06190	2.3
129.06989	7.2
131.04877	0.4
131.08545	8.2
132.05690	0.2
133.06456	1.7
133.10133	0.7
141.06960	2.5
142.07762	0.8
143.04898	0.2
143.08543	2.0
144.05669	2.4
145.06476	3.0
146.07230	1.7
147.04359	0.4
147.07947	0.4
153.06970	1.2
155.05992	0.3
156.05670	0.4
157.06448	4.1
158.07202	1.4
159.08020	17.8
161.05937	1.1
161.09592	4.6
167.07022	1.3
169.06349	0.3
169.07678	1.4
170.07227	2.9
171.08005	3.1
172.05191	1.2
172.08780	0.2
173.05945	2.2
173.09656	0.7
174.06717	1.1
175.07520	1.7
178.06265	0.4
181.08601	0.3
183.06477	1.0
184.05107	0.2
185.06017	0.4
186.06702	0.3
187.07498	11.4
188.08167	0.7
189.05453	0.8
189.09056	5.9
190.06192	1.0
191.06995	0.3
192.07715	0.4
193.08569	0.8
193.79024	0.2
198.06708	1.2
199.07529	1.7
201.05447	0.4
201.09065	0.7
202.06239	0.2
203.06978	2.0
204.07782	7.7
205.08569	1.2
206.09285	0.4
207.10110	0.4
209.05984	0.2
216.07802	2.3
216.51073	0.2
217.08580	0.8
218.09335	1.2
219.10149	3.4
221.08043	0.7
221.11739	1.9
231.10126	3.8
233.11768	1.8
234.08797	1.0
237.09015	0.2
237.11160	0.4
249.11163	100.0
250.11508	0.7
251.12668	2.1
267.12183	3.9
402.85486	0.2
403.17719	0.2
494.37201	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96125	0.2
61.77681	0.2
69.03415	1.3
74.65132	0.2
76.55869	0.2
77.37560	0.2
78.13363	0.2
81.03423	0.5
85.02892	2.7
91.05439	1.6
92.09143	0.5
97.02863	0.6
103.05431	0.2
105.07014	0.4
107.04916	0.5
115.05434	0.5
116.06229	0.3
117.07000	0.6
121.06441	0.3
128.06210	2.2
129.06984	6.1
131.08542	8.2
133.06441	1.2
141.06966	2.2
142.07791	0.4
143.08549	1.7
144.05688	3.4
145.06494	2.1
146.07228	1.0
147.04448	0.3
153.06993	1.0
156.05688	0.4
157.06473	3.9
158.07268	0.3
159.08034	17.0
161.05984	1.0
161.09589	4.2
167.07024	0.5
169.06395	0.6
169.07628	1.1
170.07237	2.6
171.07983	3.8
172.05217	0.6
173.05911	1.8
174.06757	1.2
175.07539	1.4
178.06259	0.5
184.05252	0.3
185.05919	0.4
187.07506	11.4
188.08124	0.5
189.05424	1.1
189.09105	5.6
191.06985	0.4
192.07719	0.3
193.08563	0.4
198.06708	1.3
199.07578	1.8
201.05434	0.4
203.07007	1.6
204.07794	6.3
205.08548	1.0
206.09407	0.4
216.07794	2.2
217.08556	0.6
218.09352	0.5
219.10104	2.5
221.08130	0.4
221.11752	2.1
231.10135	4.6
234.08781	1.0
237.11169	1.1
249.11174	100.0
250.11409	1.2
264.95282	0.3
267.12241	3.8
320.74112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.3
51.42703	0.2
53.03931	1.4
55.01862	0.4
55.05509	0.7
57.03424	0.7
57.25979	0.2
58.41821	0.2
60.58650	0.2
66.04723	0.3
67.00198	0.3
67.05515	0.6
69.03413	3.7
69.07056	0.4
70.06571	0.3
71.04980	0.3
77.03873	0.3
79.05466	2.8
80.89040	0.3
81.03396	7.3
81.07047	1.7
83.04946	0.4
83.08597	0.4
85.02897	3.3
85.06509	1.0
89.03899	5.9
91.05463	2.3
92.08897	1.1
93.07022	1.3
94.04175	1.5
95.04962	2.1
95.08573	1.3
97.02847	3.3
97.76998	0.3
99.04417	1.2
100.11219	0.7
101.11619	0.4
103.05431	1.4
105.03374	25.0
105.07024	1.7
106.04192	0.5
107.04935	3.3
107.08575	0.6
109.02864	3.6
109.06480	0.6
109.10093	0.4
111.04430	0.8
117.03359	26.4
117.07007	0.5
119.04899	0.6
119.08508	0.5
121.02842	3.4
121.06496	1.4
121.10086	0.5
122.03643	4.4
123.04408	3.0
123.08066	0.6
124.05192	1.2
127.03889	1.3
128.06181	0.4
129.06981	1.6
131.04903	1.6
131.08554	3.0
133.53107	0.3
134.03589	1.7
135.04436	2.3
135.07968	0.3
137.05957	80.6
141.07021	0.4
143.08533	0.3
144.05702	0.4
145.02831	76.8
145.10078	0.6
147.04372	2.1
149.05960	12.5
151.03897	0.5
153.05505	0.3
157.06480	0.6
158.07240	0.4
159.04324	0.5
159.08031	4.6
161.05928	0.4
161.09579	1.3
163.03893	1.2
163.07579	0.6
167.06999	17.7
169.07552	0.4
170.07219	1.3
177.05437	100.0
178.05954	0.5
181.04939	0.4
181.08598	0.5
182.15298	1.4
183.15666	0.5
187.07532	4.3
189.09039	1.3
195.06439	0.7
198.06735	0.4
199.07497	0.4
204.07813	3.6
209.07953	0.4
210.14874	1.2
216.07730	0.6
217.08553	0.4
219.10153	2.7
221.11716	0.6
227.09167	0.4
231.10112	1.6
237.08984	1.2
245.08466	0.3
249.07529	3.2
249.11147	9.4
267.08563	1.7
277.08536	0.3
279.08585	0.5
299.07529	0.4
321.09586	1.4
339.10754	4.0
343.11542	0.7
369.12610	0.4
385.16440	2.8
599.41675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01864	0.6
57.03430	1.4
61.02922	2.6
65.03937	1.0
69.03065	0.2
69.03419	4.7
71.04977	0.7
73.02892	0.9
81.03403	2.0
81.07044	0.3
85.02890	23.0
85.06509	0.1
87.04458	0.6
89.03827	0.1
91.05462	100.0
92.05770	0.5
92.08951	0.5
93.07018	0.2
95.04930	0.1
95.08584	0.2
97.02870	6.3
97.06496	0.1
99.04424	1.0
101.02317	0.1
103.17007	0.1
105.03366	0.4
105.06989	0.1
109.02863	2.2
115.03833	0.1
119.08527	0.2
127.03882	4.7
133.10110	0.2
134.75714	0.1
145.04938	4.8
147.04417	0.1
151.03885	12.0
157.10010	0.1
163.03905	1.0
163.05951	1.4
169.04892	0.2
177.05455	0.2
181.04874	0.5
193.04947	0.5
217.04924	0.5
241.08588	2.5
247.06087	0.1
247.72882	0.1
259.09598	7.0
283.09601	0.4
295.07962	0.4
313.08875	0.3
380.06454	0.1
473.17599	0.2
593.45911	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	600.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52830	0.2
52.64528	0.2
53.03923	0.6
54.11102	0.2
55.01854	0.5
55.05494	1.2
57.03413	0.5
58.69696	0.2
62.01554	0.2
65.03944	0.3
66.50214	0.2
67.05468	1.2
69.03428	3.2
69.07040	0.3
71.04981	0.4
71.62977	0.2
78.04720	0.4
79.05466	2.0
81.03410	4.3
81.07032	1.2
83.04955	0.4
83.08578	0.5
85.02888	3.6
85.06510	0.5
89.03887	3.7
91.05462	3.6
92.08698	0.5
92.09252	0.5
92.64529	0.3
93.07019	0.4
94.04178	0.4
95.04949	2.0
95.08552	1.3
97.02869	3.2
99.04441	0.3
100.07582	1.1
100.11230	1.7
101.11515	0.3
101.33441	0.2
103.05447	1.3
105.02679	0.5
105.03375	13.5
105.07030	1.9
107.04937	4.7
107.08566	1.2
109.02851	1.6
109.06503	0.4
109.10135	0.5
111.04432	1.4
112.07586	0.4
115.05445	2.0
116.06196	1.4
117.03357	14.7
117.07014	1.3
119.04880	0.6
119.08575	0.6
121.02786	0.5
121.06461	0.6
121.10103	0.3
122.03622	2.1
123.04401	2.3
124.05163	0.4
127.03876	0.7
128.06180	2.5
128.07024	0.4
129.05484	0.3
129.06967	9.5
130.07635	0.3
131.04887	1.5
131.08551	11.3
131.22424	0.3
132.05602	0.3
133.06473	2.0
133.10109	1.5
134.03659	0.5
135.04379	1.1
137.05957	39.0
137.09602	1.1
141.06946	2.8
142.07787	1.1
143.04994	0.4
143.08540	1.7
144.05702	4.6
145.02826	39.3
145.06458	3.7
145.10083	0.4
146.07227	1.4
147.04416	1.9
147.08035	0.3
147.11606	0.3
149.05948	6.4
151.03894	0.5
153.06961	0.7
155.06007	0.4
155.08574	0.4
156.05666	1.0
157.06464	5.3
158.07243	0.7
159.04367	0.5
159.08023	21.9
160.05196	0.4
161.05956	2.1
161.09566	5.5
163.03799	0.4
163.07452	0.3
167.07014	13.7
169.06334	0.6
169.07635	2.1
170.07260	3.8
171.08011	3.7
172.05159	1.5
173.05916	1.8
173.09563	0.5
173.68739	0.3
174.06723	1.6
175.07475	2.1
177.05434	54.0
178.06111	0.5
181.08606	1.2
182.15457	2.2
183.15721	1.3
184.05013	0.3
185.05907	0.5
187.07515	17.3
188.08246	0.5
189.05461	1.2
189.09067	5.9
190.06218	1.2
191.07036	0.6
193.08568	1.2
195.06514	0.4
198.06679	1.2
199.07535	1.7
201.05479	0.6
201.08919	0.4
203.07001	2.7
204.07796	11.2
205.08588	1.4
207.06468	0.3
207.10072	0.4
209.05954	0.4
209.08046	0.5
210.14847	1.4
211.15115	0.9
216.07736	2.4
217.08571	1.4
218.09378	1.3
219.10129	6.3
221.08109	0.5
221.11617	2.4
231.10110	6.3
233.11623	1.0
234.08780	0.5
237.08980	0.4
237.11201	1.1
249.11168	100.0
251.12778	0.7
267.08566	1.4
267.12222	2.7
278.08887	0.3
321.09613	0.6
325.14368	0.3
339.10657	1.7
343.11655	0.4
385.16446	2.8
403.17654	0.4
599.41632	1.4
600.33710	0.3
600.42328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81085	0.2
53.11816	0.2
57.07059	0.3
66.04714	0.4
67.05492	0.5
69.07043	0.9
71.08614	0.4
79.05473	0.4
81.07016	0.9
91.05465	0.5
94.04159	1.2
102.24825	0.2
105.07001	0.4
107.08565	0.4
109.10152	0.2
119.08588	0.2
122.03626	3.9
123.11663	0.2
130.44504	0.2
133.10094	0.4
135.11659	0.6
137.05959	100.0
141.12718	0.5
151.11122	0.3
153.12793	0.3
158.15355	0.3
165.09079	0.2
170.15366	1.1
182.15364	1.5
184.74329	0.2
237.09007	0.2
294.20731	1.8
306.20538	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01855	1.3
55.05498	6.7
57.03423	1.4
57.07062	12.8
57.10843	1.2
59.04980	2.7
65.03943	1.4
67.05500	13.6
69.03414	10.8
69.07050	5.5
71.31490	1.1
79.05471	13.1
81.07040	18.9
82.02046	1.1
83.04998	2.4
83.08586	1.6
85.06537	5.3
88.13696	1.2
91.05460	20.1
92.08885	7.4
93.07024	34.1
93.07584	2.5
95.04944	11.3
95.08575	19.8
97.06518	6.5
105.07011	42.1
107.08578	18.7
109.06489	11.8
109.10155	6.8
111.11195	1.3
117.07018	8.8
119.04908	1.8
119.08573	39.1
121.06515	9.1
121.10122	17.3
123.08044	21.7
125.05998	1.9
128.06215	5.3
129.07016	5.2
130.07794	1.7
131.08536	18.4
133.06529	2.4
133.10126	23.1
135.08022	15.3
135.11670	6.7
137.09616	15.5
139.07605	1.7
141.06978	3.2
142.07759	11.7
143.08539	17.6
144.09338	3.1
145.06496	1.4
145.10101	25.2
147.08028	34.9
147.11732	6.2
149.09593	2.8
151.07526	11.8
153.06975	1.3
155.08536	8.0
156.09355	9.4
157.10089	22.2
158.07253	1.8
159.08052	5.9
159.11624	12.9
161.09644	7.6
161.13263	7.2
163.11183	6.9
165.06975	2.3
165.09070	59.2
167.08592	2.9
168.09329	1.4
169.10072	13.9
170.10878	5.2
171.11668	15.2
173.09656	6.2
173.13251	6.0
175.11191	2.8
175.14920	2.2
177.09077	2.4
179.08473	2.1
181.10114	6.9
181.12277	2.5
182.10883	2.1
183.11636	16.4
185.09685	2.8
185.13277	8.0
187.11296	1.6
187.14780	1.8
189.12752	1.7
191.10687	2.9
191.14429	1.9
193.10150	1.9
195.11693	7.8
196.12546	2.1
197.13242	7.5
199.11163	3.0
199.14777	1.8
201.12637	2.0
203.14294	21.1
207.13834	5.9
209.13216	5.8
211.11156	1.6
211.14871	6.2
213.12689	1.5
219.11876	1.9
219.13901	1.5
221.13300	3.8
221.15317	78.1
227.14198	1.4
231.13776	1.9
233.15494	1.4
235.02658	1.4
245.13124	1.4
247.16937	11.1
263.17932	1.8
265.16113	1.3
268.86346	1.4
287.20163	5.9
299.20010	4.5
301.21539	2.1
311.20050	1.4
325.21585	1.4
327.23273	2.9
342.90076	1.6
365.24695	2.7
391.26144	9.1
417.45563	1.4
427.28497	6.1
507.34628	7.3
519.34894	2.7
581.39655	2.6
599.40887	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	598.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	30.7
57.07063	38.1
58.98986	5.1
60.03715	5.9
64.36520	5.2
67.05489	29.1
69.07065	26.7
71.08616	36.4
73.06530	8.6
79.05473	9.3
81.07048	32.6
83.08598	9.4
85.10172	12.4
87.04453	9.2
87.56150	5.7
89.06014	100.0
91.51421	6.2
93.07036	25.9
95.08595	31.5
97.06509	6.7
100.40761	6.3
105.07018	11.0
107.08591	13.4
109.10153	8.2
119.08556	7.5
121.10135	10.3
123.11744	6.6
125.17745	6.3
133.08589	40.9
133.10120	11.6
145.10101	7.2
174.75644	6.1
177.11176	12.6
186.01431	6.0
201.16414	7.5
453.35263	7.2
581.46240	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	599.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
55.05495	1.9
57.03427	2.1
59.04985	1.0
67.05489	3.1
68.08362	0.4
68.08741	0.5
69.03400	0.5
69.07037	1.2
71.04971	2.0
79.05486	4.6
81.03400	3.6
81.07023	4.4
83.04981	0.7
83.08592	0.7
85.02883	0.8
85.06559	0.8
90.40421	0.5
91.05461	3.6
92.09143	1.9
93.07025	3.2
95.04927	1.8
95.08593	2.8
95.47221	0.5
97.02892	0.5
97.06496	6.0
105.03369	3.7
105.07008	3.2
107.08582	1.8
109.02883	0.5
109.10159	1.2
119.08564	2.7
121.06462	0.5
121.10141	2.3
122.35942	0.5
123.08060	0.7
129.06973	2.0
131.08543	1.9
133.10065	1.6
135.04396	0.5
137.86435	0.5
141.11847	0.4
147.11748	2.0
149.09657	2.0
151.27374	0.4
157.10051	0.9
159.04399	0.6
160.55608	0.4
161.02309	2.0
163.03865	4.0
173.02354	4.4
175.11188	0.7
189.05644	0.5
193.12320	0.8
210.86934	0.5
215.06923	6.2
228.77519	0.5
233.11502	0.7
249.46935	0.5
259.09668	2.4
267.16043	1.2
283.15100	25.4
286.10620	6.8
339.17691	13.0
369.19464	0.5
555.82068	0.6
599.33923	100.0
600.34088	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	598.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61300	0.5
53.03941	19.7
55.01870	1.3
55.05502	9.6
57.03429	39.9
57.07061	0.9
61.02914	11.3
67.01840	3.1
67.05495	12.7
69.03410	11.1
69.07059	10.8
71.04974	6.0
73.02901	0.6
75.04452	0.9
76.52224	0.5
79.05473	5.1
81.03399	40.2
81.07039	18.6
82.07321	0.7
83.04964	2.8
83.08598	7.8
85.02894	10.5
85.06535	1.2
91.05460	6.1
93.07023	6.5
95.04941	2.7
95.08578	18.7
97.02869	24.8
97.06500	3.2
97.10152	5.6
99.04436	12.4
103.03916	3.0
104.89301	0.6
105.03357	4.6
105.07005	6.2
107.04943	0.7
107.08562	8.1
109.02863	58.7
109.06474	2.8
109.09463	1.0
109.10143	13.9
111.08027	0.7
111.11722	0.8
115.03874	1.1
116.36835	0.6
117.05471	100.0
119.04838	0.6
119.08549	5.6
121.06497	0.7
121.10127	4.3
123.04391	1.1
123.11663	4.7
125.09586	1.0
127.03883	38.6
131.08524	0.7
133.10118	6.6
135.11662	2.0
137.05934	1.3
137.09581	1.2
139.03886	1.1
143.10643	0.6
145.04945	2.5
145.10135	2.2
147.04376	2.7
147.11646	4.5
149.09540	0.6
151.11177	0.6
157.10078	0.6
161.13185	0.7
163.11133	0.7
165.16362	2.1
167.07001	1.0
169.04953	5.1
174.90437	0.6
177.05472	0.9
181.04843	0.8
187.05980	12.6
189.16379	4.7
196.32739	0.6
201.18428	2.9
207.17368	1.4
225.07498	0.7
225.18385	0.7
229.07065	4.7
247.08072	17.6
248.94641	0.5
282.50253	0.6
299.22128	19.5
317.23169	33.0
363.12820	3.6
389.07126	0.5
545.29480	1.1
563.30627	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22441	0.7
51.38295	0.5
53.03942	2.8
55.05503	6.6
56.91548	0.5
57.03431	34.6
61.02918	9.3
66.52759	0.6
67.05489	12.2
69.03416	10.7
69.07063	7.1
71.04973	3.2
75.04449	0.7
79.05476	5.2
81.03398	11.2
81.07032	12.5
83.05021	0.9
83.08594	6.1
85.02886	14.6
85.06541	1.3
87.04453	0.7
91.05461	4.8
92.09111	5.7
93.07027	5.6
95.04967	1.4
95.08590	16.2
97.02872	13.6
97.06504	2.5
97.10149	4.2
99.04452	4.2
105.03371	4.3
105.07016	7.0
107.04932	0.9
107.08576	3.8
109.02854	7.0
109.06519	1.5
109.10148	11.7
111.08054	1.3
111.11713	1.0
117.05475	95.3
119.08569	5.1
121.10117	3.3
122.36858	0.7
123.11689	2.9
125.09647	1.4
127.03913	6.8
133.10115	7.2
135.11690	1.1
137.09630	0.8
145.02925	0.7
145.04951	3.6
145.10152	0.8
147.04398	4.2
147.11664	2.9
148.04817	0.7
151.11160	0.9
157.10110	1.0
159.06502	100.0
163.03857	0.9
163.14799	0.9
165.16414	1.2
167.07005	1.0
175.14868	0.7
187.05951	1.3
189.16386	4.2
201.18478	0.8
205.07025	2.9
207.17506	1.0
225.18466	0.8
243.19565	0.9
275.65079	0.9
341.23135	16.8
357.03940	0.8
359.24203	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	0.6
53.03938	3.5
53.42433	0.5
54.81699	0.6
55.01855	3.0
55.05500	7.1
57.03420	5.3
57.07060	0.6
59.04984	0.9
61.02910	1.4
67.05487	6.6
69.03411	14.1
69.07049	7.2
69.07286	0.5
70.06563	1.0
71.04974	5.4
73.02895	1.1
73.06537	4.9
74.42270	0.6
75.04465	4.6
79.05473	25.0
79.05896	1.3
81.03394	11.2
81.07038	27.0
82.07397	0.7
83.04967	3.1
83.08588	1.3
85.02890	30.1
85.06529	8.6
86.09667	0.8
87.04456	1.6
89.60906	0.6
91.03931	0.7
91.05462	16.9
92.08877	1.1
93.07022	100.0
94.07378	1.1
95.04935	7.0
95.08587	20.8
96.08949	0.6
97.02877	12.8
97.06506	2.5
99.04417	3.4
99.08077	3.6
105.03382	11.6
105.07006	23.8
105.07533	0.9
107.04922	3.3
107.08572	33.0
108.08903	0.6
109.02865	5.4
109.06506	2.9
109.10143	14.0
111.04401	1.5
111.08089	7.1
117.06963	1.4
119.04899	0.8
119.08561	27.5
121.06480	2.8
121.10119	81.6
123.04383	1.4
123.08040	2.7
123.11671	5.9
125.09615	1.1
127.03886	8.9
127.11172	3.1
129.05426	1.0
129.06966	1.1
131.08562	7.3
133.10089	9.2
134.10474	0.7
135.11649	9.1
137.05960	1.6
139.11128	5.2
145.02808	1.2
145.04933	5.8
145.06427	0.8
145.10136	4.9
146.10443	1.4
147.04330	2.3
147.08060	0.8
147.11671	6.5
149.09592	15.9
149.13229	3.4
151.11133	1.0
159.11656	3.5
161.09622	3.0
161.13258	1.6
163.05960	1.3
163.14806	1.5
167.10625	15.9
173.09602	0.8
173.13293	1.4
175.14862	1.4
176.71123	0.7
177.05438	1.7
177.16466	0.8
182.04875	0.7
189.09001	1.0
191.10574	0.8
197.05943	1.2
201.16360	1.5
202.16718	1.2
203.17966	10.9
219.13916	0.9
219.17433	1.1
220.17699	1.3
221.18974	17.0
239.16371	1.0
239.19969	3.8
249.07564	0.8
257.21042	1.0
267.08646	1.0
293.13684	6.0
311.14804	29.5
324.07776	0.7
325.11221	1.1
329.15793	1.3
383.20682	1.2
401.21512	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	598.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
54.81103	0.3
55.01866	0.6
55.30614	0.2
57.03185	0.2
57.03430	6.0
61.02913	0.4
65.03929	0.2
66.27975	0.3
69.03413	2.9
70.06567	0.3
75.04469	2.9
79.05460	1.7
79.34778	0.2
81.03395	1.3
83.04927	0.2
85.02890	5.8
91.05460	1.2
91.33944	0.2
92.09124	0.5
93.07030	0.4
95.04940	0.5
95.08566	0.3
97.02883	2.2
103.05427	1.2
105.03372	5.9
105.07011	25.1
107.04969	2.0
109.02856	1.0
109.06506	0.9
115.05405	0.5
117.07030	0.3
119.04949	0.3
121.02867	0.3
121.06470	0.4
122.03618	1.1
123.04394	0.6
124.05214	0.5
127.03867	0.5
131.04872	0.4
133.06467	59.0
135.04401	0.4
135.08026	0.6
137.05954	100.0
143.08539	0.3
145.04936	0.5
145.10103	0.3
147.04381	0.3
147.07965	0.4
149.05983	0.3
150.06729	1.1
151.07527	1.0
159.08063	0.3
161.09515	0.3
163.07521	5.4
165.09079	30.9
171.68620	0.3
175.07509	3.8
175.11143	0.3
177.09128	1.8
180.07774	0.3
181.08531	2.1
182.09267	0.3
183.10117	9.9
184.24968	0.3
189.08949	0.3
193.08578	0.3
203.10619	1.4
209.11728	1.5
221.11723	3.4
234.08076	0.3
239.12775	1.3
257.13782	56.8
267.08575	2.0
343.65552	0.3
356.67413	0.2
433.32278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.7
55.01862	3.0
55.05510	4.0
57.03423	3.4
57.07060	1.3
59.04987	0.8
60.04520	0.7
61.02937	2.5
65.03927	0.7
65.61024	0.6
67.05495	5.2
69.03417	13.4
69.07043	5.5
71.01328	0.8
71.04974	6.3
72.34866	0.6
73.02884	2.6
73.78209	0.6
78.04710	0.8
79.05473	13.4
81.03397	29.1
81.03873	1.2
81.07036	17.0
82.07362	0.7
83.04966	1.7
83.08588	1.3
85.02889	33.1
85.06521	11.5
85.33508	0.7
86.03226	0.8
87.04482	0.9
91.03922	1.1
91.05462	8.6
93.07023	11.3
95.04955	7.8
95.08595	11.9
97.02871	14.9
97.06506	3.4
97.10153	0.8
99.04430	4.7
99.08073	1.0
103.05437	3.2
105.03374	79.4
105.07017	12.2
106.03672	5.8
106.07345	2.9
107.04931	24.9
107.05624	1.3
107.08557	12.2
109.02870	8.8
109.06517	1.7
109.10137	9.8
110.03190	0.8
113.09618	1.3
115.05437	10.0
116.06196	0.8
117.07001	30.4
117.07850	1.0
119.08555	10.6
121.06425	0.9
121.10131	9.8
123.04411	12.6
123.08002	0.9
123.11707	4.1
124.05147	2.7
125.09608	3.5
126.09943	0.7
127.03915	9.6
127.11177	1.7
128.06233	1.4
129.06966	6.5
131.04913	3.9
131.08559	8.2
133.06464	4.7
133.10126	7.7
135.04419	1.2
135.11653	5.9
137.05959	2.8
137.09686	0.8
141.06927	4.2
143.04884	0.8
143.10683	7.9
144.05663	5.6
144.11012	1.4
145.02789	0.9
145.04997	5.5
145.06468	64.3
145.10118	3.4
146.10464	1.3
147.04388	4.2
147.08020	2.5
147.11702	6.8
149.06006	1.0
149.09628	1.2
149.13301	0.8
152.04556	0.8
155.06024	6.6
156.05673	12.5
157.06473	4.2
159.08034	12.1
159.11647	3.6
160.05185	1.2
161.05957	8.7
161.13271	3.4
163.03857	4.1
163.06023	1.1
163.14774	1.4
164.04204	0.7
167.07002	63.2
169.06459	1.1
172.05310	0.7
173.05945	96.5
173.13219	1.0
174.06538	0.7
175.03764	0.9
175.07536	4.5
177.05487	3.0
177.16299	0.9
180.08694	1.3
181.04950	3.1
181.08575	0.9
184.05186	4.4
187.07541	8.7
189.05470	1.2
189.09076	0.7
190.06213	60.4
191.06967	4.3
193.08534	4.9
201.09177	1.2
202.06233	8.8
202.16818	0.8
203.06998	9.5
203.17935	6.0
204.07704	0.8
205.08566	100.0
206.09079	0.7
207.06479	1.4
213.05484	0.8
215.07025	1.5
217.08554	63.3
219.08203	1.1
219.10048	5.1
219.17442	1.0
220.17761	1.3
221.18954	8.3
223.09668	3.2
231.06367	1.0
233.09683	0.9
235.07341	0.9
235.09558	18.3
237.18443	1.3
239.20035	4.5
245.09444	0.8
247.07471	1.2
247.09615	5.9
248.08218	1.3
249.07483	9.5
259.05881	1.2
263.07129	0.8
263.10703	1.1
264.07715	1.6
265.07962	1.6
265.10660	34.0
265.13507	1.2
267.08606	11.7
268.08932	0.8
269.08099	0.8
271.09589	1.7
275.06943	1.0
276.07785	1.0
281.08191	0.9
291.10120	2.9
293.08084	1.3
305.08173	0.8
307.09668	0.8
308.10583	0.8
315.08560	5.8
323.12753	0.9
330.10992	6.5
331.11780	1.5
336.09641	1.0
337.10779	1.0
339.12292	1.4
351.12177	3.0
353.09631	1.1
368.12469	1.4
371.14896	1.4
383.14706	10.0
401.15894	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	598.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35265	0.4
53.03949	0.9
55.01862	2.2
55.05503	1.0
57.03424	2.1
61.02914	3.6
61.03181	0.4
65.03919	0.8
69.03413	6.3
69.07047	1.9
71.04977	2.0
73.02908	1.0
78.04670	0.6
79.05465	8.4
81.03395	22.2
81.03874	0.9
81.07028	8.2
85.02888	23.6
87.04486	0.6
91.03946	1.6
91.05451	5.8
92.03760	0.5
92.08691	1.0
92.09225	1.6
93.07030	4.2
95.04951	4.4
95.08576	3.2
97.02863	7.3
97.06516	0.6
99.04449	0.6
103.05426	3.8
105.03365	0.9
105.04510	0.5
105.07004	7.0
106.48427	0.4
106.49136	0.4
107.04931	16.6
107.08578	4.5
109.02872	2.9
109.06528	0.5
109.10142	3.4
115.05432	7.8
116.06220	0.7
117.06992	27.4
119.08530	6.2
121.10138	1.0
121.62471	0.5
122.03645	0.6
123.04424	4.5
123.11728	0.8
124.05191	3.4
125.05979	1.1
127.03889	5.0
127.11166	0.7
128.06174	2.4
129.06970	5.4
130.04059	1.7
131.04912	3.2
131.08525	6.7
133.06451	3.2
133.10086	2.4
135.11676	4.0
137.05989	1.0
137.73260	0.5
139.07503	0.7
141.06973	3.2
143.04919	0.8
144.05638	5.7
144.06512	0.5
145.05005	3.6
145.06459	69.5
147.04355	0.7
147.08063	1.8
147.11658	2.0
149.05954	0.6
149.89287	0.4
151.03934	0.8
152.04663	2.5
153.05484	0.9
153.12721	0.5
155.04877	0.8
155.05994	8.6
156.05679	12.0
157.06439	3.6
158.07213	0.9
159.08011	10.2
160.05182	0.7
161.05910	7.6
162.07599	1.1
163.06030	1.8
166.74455	0.4
167.06993	81.1
169.07616	1.0
170.07152	0.6
172.05144	1.0
173.05942	97.6
174.06723	0.8
175.03934	0.5
175.07552	2.3
176.04625	0.8
177.05428	2.2
180.08678	3.8
181.04929	2.5
181.08510	0.8
182.07219	0.5
183.06497	0.8
184.05199	4.0
186.06671	0.6
187.07507	9.4
190.06212	60.2
191.06973	3.9
193.07028	0.5
193.08536	3.5
195.06424	0.6
202.06235	7.5
203.06970	10.1
203.08693	0.7
203.17857	2.1
204.07726	0.9
205.08560	100.0
206.08878	0.7
207.06496	2.1
207.10185	0.6
208.05174	0.8
210.06726	0.6
214.05902	0.5
217.08549	59.0
218.09035	0.6
219.07994	2.2
219.10110	4.6
220.08675	0.8
221.18909	2.2
223.09599	3.0
231.08002	1.8
233.09592	0.8
235.07260	1.1
235.09587	28.1
236.08081	0.8
245.09587	0.6
247.07391	2.6
247.09599	7.8
248.08221	2.9
249.09001	0.9
251.10535	0.5
259.07532	0.6
261.09079	1.8
262.09717	0.6
263.06863	1.0
263.10526	0.8
264.07678	1.1
265.10654	32.6
269.07907	2.1
271.09576	2.9
275.06961	0.8
276.07690	0.8
277.08414	0.8
278.09366	0.5
279.10080	2.0
281.08041	0.5
285.07288	0.5
290.09265	0.7
291.10071	3.5
292.07263	0.8
292.10550	0.7
293.07983	1.8
299.09222	0.8
301.06921	0.5
307.09564	2.1
308.10217	1.1
311.12573	0.6
315.08569	7.1
321.07245	0.5
323.12723	2.4
324.60254	0.5
325.10962	0.8
330.10944	7.2
331.11581	2.5
336.09882	0.8
337.10483	0.7
339.12225	1.1
340.13181	0.5
343.11526	1.1
351.12289	4.1
353.10052	0.7
356.12454	0.6
371.14737	3.1
383.14777	10.3
401.15866	12.9
419.16785	0.8
518.41699	0.5
574.80774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02339	0.2
51.48820	0.1
52.37841	0.1
53.03940	3.9
55.01861	0.5
55.05488	0.3
57.03418	0.9
61.02916	0.3
67.05482	0.8
68.05857	0.1
69.03413	6.8
69.07053	0.6
70.07383	0.1
71.04985	1.0
72.61380	0.1
77.03905	0.7
79.05476	4.5
81.03397	15.5
81.07019	1.3
85.02887	8.3
85.03416	0.1
85.06506	0.5
91.05436	0.2
92.09034	0.9
93.07028	0.7
95.04947	4.8
95.08557	1.2
97.02870	9.7
97.06504	0.1
99.04437	2.4
105.03371	100.0
106.03655	0.4
106.32389	0.1
107.04937	1.0
107.08575	0.7
108.08900	0.2
109.02859	9.4
109.03610	0.3
109.06483	0.2
109.10132	0.9
110.03220	0.1
111.08047	0.2
113.09632	0.6
119.08553	0.3
121.02841	0.9
121.06489	0.2
121.10123	0.7
123.04400	8.6
123.10856	0.1
123.11697	0.6
127.03895	6.5
133.10086	0.3
137.05983	0.3
145.04936	1.6
147.04375	0.2
147.11707	0.2
153.05481	0.3
159.11694	0.2
163.03902	0.3
163.11122	0.2
165.05418	0.3
167.07068	0.2
176.87820	0.1
177.05478	0.3
177.16466	0.3
178.16652	0.2
219.17320	0.2
231.06459	0.7
237.18513	0.7
238.18765	0.6
249.07518	20.8
255.19498	0.2
256.19781	0.5
267.08572	17.2
287.05447	0.9
288.05743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.2
53.00282	0.2
53.03941	2.9
55.01850	0.5
55.05502	0.5
57.03421	1.0
59.04959	0.2
61.02909	0.5
65.86357	0.2
67.05486	1.1
69.03416	6.1
69.07051	1.5
71.04971	1.4
73.02894	0.5
77.03915	0.3
79.05038	0.4
79.05470	4.1
81.03402	12.3
81.07033	2.4
81.71826	0.2
82.94897	0.2
83.04953	0.4
83.08623	0.4
85.02892	9.1
85.06532	1.5
86.07824	0.2
87.04433	0.3
89.03888	1.1
91.05460	3.2
92.05785	0.4
93.07018	2.3
95.04945	5.4
95.08596	2.8
97.02868	10.1
97.06524	0.8
97.10126	0.2
99.04425	2.3
105.03374	100.0
105.06997	1.6
105.25140	0.2
106.03711	0.4
107.04932	1.1
107.08573	3.1
109.02863	9.1
109.06473	0.3
109.10149	1.6
111.08063	0.4
117.03355	2.5
117.07047	0.2
119.04924	5.8
119.08564	1.6
120.05254	1.4
121.06464	0.3
121.10109	2.6
123.04414	7.6
123.11672	0.9
127.03893	7.6
129.07030	0.3
131.08569	0.3
133.10110	0.9
135.04404	5.4
135.08043	0.5
135.11681	1.1
137.05978	0.5
137.09612	0.4
145.02832	5.0
145.04941	2.3
145.10141	1.0
147.04388	17.9
147.11714	0.4
148.04738	5.8
153.12761	0.3
159.11685	0.3
159.97298	0.2
161.09521	0.3
161.13156	0.3
163.03873	18.3
163.11172	1.5
165.05536	0.3
167.06993	0.5
169.04947	0.4
169.08551	1.1
177.05435	3.0
181.04927	0.4
191.10551	0.5
195.06529	0.4
197.50668	0.2
203.17905	0.5
207.06378	0.3
209.11707	0.2
221.18941	0.9
222.33701	0.2
227.12738	1.3
231.06490	2.5
239.20036	1.3
244.61795	0.2
249.07516	14.9
257.21179	0.5
267.08578	15.8
322.14429	0.2
383.16766	0.9
563.20868	1.3
576.17407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.3
53.03941	4.4
55.01855	1.9
55.05498	0.6
57.03424	1.5
67.05484	1.8
68.87576	0.3
69.03417	7.7
69.07044	0.7
71.04961	0.7
73.02885	0.4
75.83125	0.3
77.01709	0.3
77.03893	0.6
79.05478	7.6
81.03398	11.4
81.07037	3.8
83.04951	0.6
83.89915	0.3
85.02886	10.7
85.06535	0.5
91.05466	3.7
92.08994	2.4
93.07013	1.5
94.04176	0.5
95.04942	9.3
95.08578	2.4
96.93105	0.3
97.02873	7.9
97.06499	0.6
99.04423	1.7
99.08063	0.6
103.05424	0.6
105.03371	100.0
105.04523	2.4
105.06996	2.3
107.04966	2.6
107.08596	1.6
109.02868	5.1
109.06517	0.7
109.10112	0.6
115.03924	0.6
115.05421	0.7
117.03370	0.4
117.07005	1.2
119.04920	2.9
119.08569	1.5
121.06484	1.3
121.10127	1.2
122.03628	1.6
123.04392	9.8
123.08038	0.4
127.03888	3.6
128.06184	0.4
129.06935	2.2
131.04916	1.4
131.08527	0.5
132.52826	0.3
133.06491	0.6
133.10091	0.5
135.04361	0.4
135.08047	1.4
136.05183	0.5
137.05952	23.1
145.04886	0.6
145.06493	1.2
145.10138	0.4
147.04359	1.5
147.11658	0.6
149.05957	1.2
151.03889	2.2
151.07512	10.3
151.08640	0.5
157.06493	1.8
159.08003	0.6
159.11668	0.6
161.05971	4.7
161.09642	0.6
163.03874	0.4
163.07492	3.3
165.05522	0.4
165.06987	1.2
165.09166	0.5
167.07021	2.2
167.08562	1.6
173.07942	0.3
174.06764	0.6
175.07518	3.8
175.10989	0.5
177.05441	1.4
177.06935	0.4
177.09076	0.5
178.07729	0.4
179.14165	0.3
181.04921	1.8
181.06418	0.4
181.10147	0.4
184.08760	0.3
187.07475	0.7
189.09065	2.9
191.06964	0.6
193.06500	0.5
193.10158	0.7
195.08064	3.1
195.09985	0.9
197.05998	0.4
199.07545	0.6
201.09041	0.3
203.07018	0.6
207.06367	0.4
207.08234	0.4
207.10049	0.6
209.07939	0.7
209.09679	0.3
210.06798	1.3
211.07565	0.5
219.08116	0.4
219.10086	0.6
221.05905	1.2
221.09630	1.7
223.07581	1.3
224.08261	0.3
225.09036	0.7
227.10583	3.3
229.14294	0.5
231.06323	0.4
237.07570	1.7
240.07910	0.5
241.08452	0.5
248.08293	0.4
249.07350	6.1
249.11322	0.5
253.08548	1.8
253.12210	1.4
255.10106	2.7
261.08963	0.5
265.08609	0.5
267.08414	4.1
269.08063	0.6
272.10519	0.4
277.08624	0.5
279.10132	1.2
284.10425	0.3
285.11243	2.4
287.12759	4.4
293.11530	0.5
297.11255	1.6
299.12863	3.0
304.76758	0.3
305.11600	0.6
309.11188	0.5
310.11914	0.3
311.12744	1.7
313.14273	3.1
315.12314	0.5
323.12595	0.4
331.15366	9.1
335.12762	0.5
341.13776	0.4
343.15363	2.1
353.13748	0.4
361.14331	0.4
365.13806	0.4
397.16211	0.5
419.27206	0.4
421.16257	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	597.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97531	0.8
53.03941	2.4
55.01865	2.3
55.05501	2.4
57.07046	0.8
65.03928	7.7
67.05483	5.5
69.03414	8.5
69.07042	4.5
71.04965	2.5
78.04681	2.3
79.05472	12.4
81.03391	6.9
81.07036	12.0
82.04162	1.4
83.04950	5.3
85.02893	9.4
85.06517	1.1
86.09684	5.7
89.03949	1.1
91.05457	23.2
92.05786	1.7
92.09210	5.1
93.03392	1.5
93.07022	9.1
94.04195	1.2
95.04939	9.2
95.08574	5.2
97.02853	5.1
97.06500	1.7
99.04410	1.3
101.06005	7.2
103.05459	7.9
105.02691	1.3
105.03364	21.1
105.07009	20.9
106.04153	2.1
107.04943	15.0
107.08561	6.5
109.02833	1.3
109.06481	2.4
109.10123	5.5
110.03634	7.6
111.04453	8.6
111.08110	1.1
115.05412	7.7
117.06993	1.9
118.04105	2.0
119.04916	32.4
119.05703	1.9
119.08567	9.3
120.05238	10.0
120.08076	9.0
120.08845	1.6
121.02858	2.1
121.05459	1.4
121.06461	6.8
121.10090	5.2
123.04389	10.2
123.08031	1.7
123.11681	1.9
124.05171	5.3
125.05957	12.6
127.03908	3.8
128.06192	4.3
129.06964	15.4
129.50648	0.9
131.04874	8.6
131.08522	1.8
132.05679	4.6
133.06499	11.9
133.10088	5.6
135.04433	1.4
135.08017	1.7
135.11661	4.1
137.05928	12.4
137.09641	1.0
140.04630	1.0
141.06949	0.9
143.06035	1.0
144.05685	4.0
145.02809	1.0
145.06436	2.3
145.10123	2.3
146.03572	1.2
147.04387	87.4
147.08020	6.2
147.11661	1.4
148.04727	34.9
149.04900	10.0
149.05995	4.8
151.07556	2.0
152.04588	2.0
153.01770	1.4
153.05443	22.5
155.04871	2.1
156.05655	3.6
157.06448	1.7
159.08034	12.9
159.11653	1.2
160.05202	1.7
161.05925	12.1
161.09660	1.5
163.03882	4.7
163.07414	2.1
165.01741	1.2
165.05429	1.4
165.06940	1.1
165.09116	1.1
167.06996	94.1
169.06348	1.1
171.04355	1.3
171.07973	1.9
172.05142	4.9
173.05975	1.5
173.13268	0.9
175.07509	15.3
175.14821	4.6
176.15048	1.1
177.05466	6.4
177.08972	1.2
178.07716	3.8
179.06960	2.4
179.08350	1.3
181.04938	3.8
184.05142	1.6
185.05774	1.4
186.06694	1.4
187.07521	24.7
189.05409	4.2
189.06940	2.1
189.09099	1.3
190.07747	4.4
191.06941	5.6
191.08531	6.5
192.09331	1.1
194.07193	1.2
195.08171	1.5
197.05942	1.1
199.07495	8.8
202.07742	4.5
203.07060	1.0
203.08582	11.5
205.06500	4.0
206.07214	5.8
207.08043	5.5
208.08737	1.7
209.08043	4.1
215.06931	1.1
215.08760	1.4
216.07805	4.3
217.06517	2.3
218.07169	9.5
219.08035	16.0
220.08691	6.9
221.06081	3.9
221.09531	7.9
222.06679	1.4
223.07448	1.4
225.09081	1.8
231.08087	10.5
232.08900	1.9
233.05836	5.5
233.09596	5.3
234.06660	6.4
235.07460	11.8
236.08292	7.1
237.09081	2.3
237.18442	4.9
238.18715	1.3
239.06837	1.3
246.06677	4.3
247.07532	13.0
248.08302	10.0
249.05290	2.2
249.09184	10.3
250.06247	3.6
250.09782	1.8
251.06975	4.6
251.10638	10.6
252.07614	1.1
253.08539	1.7
259.07516	4.9
260.08307	1.2
261.05423	2.2
261.08942	7.2
262.06210	1.8
262.09769	1.2
263.06863	6.9
263.10623	1.4
264.07761	10.9
265.08551	13.7
265.11331	1.2
266.09171	1.9
267.06161	1.3
267.08795	1.2
269.57269	1.1
274.06165	1.4
275.06937	6.4
276.07782	10.0
277.08554	7.2
278.09366	5.6
279.06812	2.0
279.10077	10.7
280.10651	1.2
281.08429	2.7
281.11630	9.7
282.08582	1.4
287.05411	21.2
288.05634	23.5
289.05914	13.8
289.08731	4.7
290.09314	2.2
291.06693	2.7
291.10040	4.6
292.07199	4.6
293.07983	7.2
293.11618	3.9
294.08792	4.4
295.09711	2.3
304.07370	1.8
305.07892	2.3
306.08832	1.5
307.09601	14.1
308.10324	6.3
309.11264	11.5
311.09354	1.4
311.12939	1.2
319.09436	5.4
321.10910	7.3
323.12732	5.0
324.09680	1.5
326.11331	2.1
337.10489	1.9
339.12207	100.0
340.12860	1.4
341.13782	16.2
351.12143	16.9
353.13681	6.3
508.84177	1.3
597.32135	2.4
614.20050	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99584	2.5
54.81523	3.7
55.05496	16.2
56.76630	2.3
57.03443	2.6
57.07066	4.2
67.05495	68.6
69.07042	17.0
71.04974	23.4
72.93001	2.9
72.93418	2.8
79.05475	39.8
81.06592	5.4
81.07039	100.0
85.06549	3.4
87.39838	2.6
87.89413	2.7
91.05473	36.3
92.08696	5.4
92.09227	11.5
93.07019	45.3
95.04848	2.6
95.08591	37.8
97.06512	3.3
105.07019	17.9
107.08568	23.3
109.10137	18.6
110.11669	2.7
112.69107	3.0
117.07007	3.3
119.08555	5.2
121.10152	12.8
123.11679	6.7
131.08545	5.6
133.10117	15.8
135.11615	5.0
149.13295	3.9
152.46629	3.0
158.95430	2.8
159.11720	4.4
187.24962	2.9
211.33395	3.3
221.22519	2.8
301.20016	11.6
304.70105	3.3
335.25729	23.3
503.37112	61.7
561.41211	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	596.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	15.2
55.05508	30.7
57.03423	23.1
58.63442	2.8
67.05492	93.5
69.07055	29.2
71.04966	13.4
76.56203	3.6
79.05478	74.6
81.03385	4.5
81.07039	89.9
83.04974	54.8
83.08614	16.8
91.05477	38.0
92.09145	5.6
93.07023	86.3
95.04929	7.0
95.08590	62.8
97.06492	17.8
97.10175	5.2
99.04452	3.8
99.08059	6.7
105.07012	18.7
107.04944	3.9
107.08566	44.6
109.06535	3.8
109.10127	30.3
111.04434	100.0
111.08077	28.0
117.06977	12.8
119.08576	28.0
121.10108	45.6
123.11681	3.9
131.08534	17.0
133.10088	6.2
135.08096	3.6
135.11638	40.4
145.10101	43.6
147.11668	6.6
149.09615	6.6
152.79193	3.2
153.12697	47.3
157.06503	3.5
163.11131	56.5
173.09563	15.3
181.12224	61.3
191.10643	43.4
209.11705	14.3
227.12775	40.2
245.13780	4.2
261.22144	8.3
283.15341	74.4
301.16382	49.8
335.25739	98.9
543.36731	5.8
561.37878	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	15.2
55.05508	30.7
57.03423	23.1
58.63442	2.8
67.05492	93.5
69.07055	29.2
71.04966	13.4
76.56203	3.6
79.05478	74.6
81.03385	4.5
81.07039	89.9
83.04974	54.8
83.08614	16.8
91.05477	38.0
92.09145	5.6
93.07023	86.3
95.04929	7.0
95.08590	62.8
97.06492	17.8
97.10175	5.2
99.04452	3.8
99.08059	6.7
105.07012	18.7
107.04944	3.9
107.08566	44.6
109.06535	3.8
109.10127	30.3
111.04434	100.0
111.08077	28.0
117.06977	12.8
119.08576	28.0
121.10108	45.6
123.11681	3.9
131.08534	17.0
133.10088	6.2
135.08096	3.6
135.11638	40.4
145.10101	43.6
147.11668	6.6
149.09615	6.6
152.79193	3.2
153.12697	47.3
157.06503	3.5
163.11131	56.5
173.09563	15.3
181.12224	61.3
191.10643	43.4
209.11705	14.3
227.12775	40.2
245.13780	4.2
261.22144	8.3
283.15341	74.4
301.16382	49.8
335.25739	98.9
543.36731	5.8
561.37878	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.0
53.03936	4.2
55.01862	6.2
55.05510	10.9
57.03426	7.3
57.07063	1.0
59.04980	2.1
61.02912	6.8
65.03957	1.1
66.57377	0.9
67.05497	13.7
68.96703	0.9
69.03413	23.9
69.07050	11.8
69.17063	1.0
71.04977	32.0
73.02882	1.5
73.06530	2.0
74.09686	0.9
79.05474	13.5
81.03395	18.6
81.07034	34.9
83.04976	7.2
83.08603	7.0
85.02890	62.0
85.06536	13.6
87.04472	1.1
91.03938	1.7
91.05472	17.0
93.07025	29.1
95.04934	8.9
95.08583	26.3
95.66827	0.9
97.02872	24.1
97.06503	8.7
97.10131	7.2
98.13142	1.1
99.04423	5.7
99.08083	11.4
101.05986	1.7
101.79468	0.9
101.81252	0.8
103.03934	1.0
105.03369	56.7
105.07008	34.5
106.03716	2.2
107.04916	3.7
107.08574	37.3
109.02861	11.7
109.06516	5.5
109.09401	1.2
109.10147	32.9
111.04439	2.1
111.08067	4.4
113.09600	1.4
117.03372	1.3
117.06988	6.3
119.04916	23.2
119.08567	26.0
121.02838	11.0
121.06474	1.6
121.10120	18.0
123.04428	4.6
123.08044	4.4
123.11680	5.2
125.06033	1.4
125.09602	29.8
125.38313	1.1
127.03892	15.7
127.07549	6.2
127.11168	16.7
129.06973	1.8
131.08574	11.4
133.10098	27.6
133.11026	1.6
135.04430	4.4
135.11665	10.1
137.05945	2.1
137.09593	2.4
137.13354	1.1
139.03877	1.3
139.11186	1.9
143.08633	1.8
143.10661	43.4
144.09282	1.2
145.02864	1.7
145.04906	10.4
145.10103	44.5
147.04393	100.0
147.08055	1.5
147.11646	15.4
148.04750	1.7
149.09587	1.6
149.13232	5.6
151.11156	5.3
157.10057	2.0
159.11667	14.6
161.05952	2.4
161.09554	1.0
161.13249	9.6
163.03856	6.3
163.06003	4.0
163.11147	4.3
165.05428	2.3
165.12721	10.3
166.05038	1.1
167.06949	1.6
169.12209	1.6
173.13206	3.8
173.25616	1.1
175.07349	1.1
175.14745	5.7
177.05447	4.5
177.12639	1.0
177.16341	1.2
179.14325	1.4
181.04987	1.6
183.13770	2.4
184.14034	1.3
189.05478	1.8
189.16396	1.3
191.14227	1.9
191.17924	2.4
201.16373	18.3
207.17422	1.3
213.05450	2.3
215.06886	1.3
219.17395	30.9
231.06483	2.4
237.18442	74.9
249.07515	8.1
255.19398	2.2
259.05908	3.9
261.07629	1.1
267.08609	6.8
277.07159	1.2
279.08649	1.4
287.05463	5.0
295.08231	1.4
309.09647	6.3
325.11188	2.4
328.18124	1.2
381.22452	1.7
399.10587	1.7
399.23590	2.3
400.10883	1.1
417.15289	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	1.2
53.03942	4.7
55.01864	2.8
55.05508	14.4
57.03423	6.8
57.07058	2.6
59.04987	6.0
61.02907	6.8
67.05495	15.4
69.03411	20.8
69.07056	9.3
71.04977	43.4
73.02900	2.7
73.06555	2.2
73.81810	0.9
75.41221	1.0
75.92725	0.9
79.05482	17.3
81.03398	12.3
81.07041	41.7
83.01333	1.6
83.04493	1.0
83.04965	30.0
83.08601	5.2
84.05305	4.9
85.02892	100.0
85.06535	11.1
86.03232	4.9
86.24334	1.2
87.04434	1.5
88.28146	0.9
89.68066	1.0
91.03932	4.3
91.05465	14.0
92.08784	2.1
92.09259	1.3
93.07027	34.5
93.07578	2.3
95.04924	5.3
95.08590	23.8
97.02862	27.9
97.06491	13.6
97.10141	9.4
98.03204	1.4
99.04441	5.6
99.08060	1.6
100.11274	1.1
105.03381	21.4
105.07011	49.7
107.04937	1.3
107.08575	51.3
109.02832	8.4
109.06522	6.0
109.10142	30.2
111.04436	12.8
111.08092	1.1
112.04774	2.2
117.06979	7.1
119.08556	28.2
119.83214	1.1
120.85297	1.3
121.02869	2.3
121.06567	1.5
121.10106	23.0
123.04433	2.4
123.08074	4.8
123.11696	7.5
125.09595	39.1
127.03886	15.8
127.11169	18.1
129.05473	5.4
129.06989	1.2
130.07806	1.9
131.08556	13.4
133.10117	35.6
135.11668	17.7
136.36557	1.1
137.09608	5.1
139.87285	1.1
141.13730	1.4
143.10657	65.4
145.04932	15.9
145.10101	49.9
147.04382	2.3
147.11685	8.9
149.09665	1.5
149.13248	12.7
151.11172	6.9
155.08691	1.1
157.10161	1.8
159.11664	18.9
161.05991	1.6
161.13235	14.6
163.06027	7.5
163.11133	1.8
167.14279	7.3
173.13245	4.9
175.14813	2.8
177.12773	2.5
179.14310	5.7
191.17902	2.6
201.16386	22.5
203.17964	1.4
217.04861	1.3
219.17404	48.5
231.06308	1.4
237.18437	30.8
249.07631	1.7
259.05896	1.6
267.08633	2.1
287.05460	19.0
288.05731	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	596.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.3
55.01859	2.7
55.05499	15.9
57.03429	5.1
57.07061	9.4
59.04974	2.9
61.02910	5.1
63.86993	0.5
67.05141	0.9
67.05487	24.3
69.03063	0.9
69.03417	15.7
69.07050	17.5
71.04973	6.8
73.02871	3.0
77.41358	0.6
79.05463	9.9
81.03403	10.2
81.07032	56.6
83.04956	4.1
83.08594	12.8
85.02885	44.9
85.06523	60.2
87.04435	1.0
91.03937	1.2
91.05450	9.6
93.06406	0.8
93.07016	32.9
95.04930	5.4
95.08577	73.4
97.02877	15.4
97.06508	8.2
97.10149	8.6
99.03834	1.1
99.04427	18.6
99.08073	1.0
101.05975	3.1
105.03381	5.5
105.04464	0.7
105.07009	13.7
107.04929	25.4
107.08572	41.0
109.02856	7.8
109.06468	7.6
109.10136	49.2
111.08052	6.5
111.11659	1.1
113.09617	47.6
117.03352	1.1
117.05508	0.7
117.06982	4.1
119.04902	3.7
119.08543	17.6
121.02846	3.4
121.06487	5.7
121.10110	50.3
123.04427	0.8
123.08025	5.7
123.10769	1.3
123.11676	38.3
125.05895	1.3
125.09608	7.2
127.03872	10.5
127.07483	4.8
127.11185	2.9
129.07042	0.7
131.08540	6.2
133.10120	11.6
135.08015	4.1
135.11661	22.7
137.06006	0.8
137.09544	5.9
137.13187	6.6
139.07503	1.4
139.11189	5.6
141.09052	3.0
143.08499	1.4
145.02841	3.4
145.04930	6.8
145.06487	0.6
145.10081	11.2
147.04399	14.0
147.08055	1.0
147.11623	4.8
148.04695	5.8
149.05966	1.4
149.09593	4.3
149.13231	8.1
151.11165	5.0
151.14792	1.3
153.01830	2.7
153.09079	4.6
153.12706	1.4
155.10585	2.6
157.06401	0.7
157.10100	1.0
159.07973	0.8
159.11650	14.4
161.09537	0.8
161.13214	12.5
163.03938	1.0
163.05971	2.6
163.11122	6.9
165.01822	1.5
165.08971	0.9
165.12770	3.0
167.06982	3.2
167.10657	4.7
173.09630	0.6
173.13200	3.4
174.95569	0.7
175.11205	0.8
175.14752	8.1
177.05432	3.8
177.12679	5.5
177.16341	28.5
179.14233	2.4
181.12196	7.5
187.11143	0.7
191.17883	16.4
193.15820	1.1
193.19510	1.2
195.13748	2.4
201.16362	20.5
209.18910	1.5
212.08247	0.7
219.17389	29.9
237.18439	100.0
255.19479	60.3
255.22299	1.0
287.05423	56.5
288.05786	10.6
318.06110	0.7
363.21613	1.4
381.22565	6.5
399.23709	4.0
405.73746	0.6
489.66003	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.5
53.03938	2.3
55.01859	1.1
55.05505	25.6
57.03423	3.2
57.07069	8.8
59.04983	1.2
61.02923	4.8
63.89611	0.5
67.05493	9.4
69.03419	9.2
69.06709	1.0
69.07058	19.4
71.04983	5.1
71.08617	2.4
73.02905	1.2
74.09616	0.5
77.19724	0.5
79.05482	9.7
81.03403	4.9
81.07041	40.5
83.04976	1.3
83.08607	20.9
83.09091	0.8
85.02894	36.3
85.06529	6.8
85.10167	0.6
91.03940	0.7
91.05472	6.2
92.08801	1.6
93.06425	0.7
93.07026	35.6
95.04952	2.8
95.08590	44.8
97.02870	12.3
97.06516	6.2
97.10151	30.1
99.04449	2.8
99.08076	3.4
105.03359	4.8
105.07027	10.9
107.04951	1.1
107.08580	62.8
109.02876	4.9
109.06506	5.8
109.10146	28.7
111.04456	0.8
111.08073	6.2
111.11720	0.6
113.05993	0.6
113.09627	4.4
114.95806	0.6
115.03889	0.7
115.11193	2.5
117.07011	1.2
119.04923	0.9
119.08558	13.7
121.06493	2.2
121.10126	86.5
123.08072	4.1
123.11689	28.3
124.03750	0.5
125.05973	2.3
125.09618	5.3
127.03917	7.4
127.07523	4.5
127.11185	3.2
131.04814	0.6
131.08559	3.1
133.10097	9.5
133.11026	0.8
135.08044	3.8
135.10641	1.3
135.11665	29.9
136.33168	0.6
137.05936	0.8
137.09592	2.2
137.13231	3.8
139.07529	17.0
139.11180	3.3
141.09103	3.6
145.02841	1.0
145.04935	4.8
145.10089	7.3
147.04408	7.2
147.11671	3.6
149.09579	7.8
149.13251	5.0
151.07507	0.7
151.11180	4.8
151.14818	0.7
153.09081	20.9
155.10579	3.9
159.11693	6.9
161.09595	0.6
161.13213	14.3
163.06020	1.1
163.11153	6.9
167.06992	1.4
167.10651	16.0
169.12175	1.1
173.04863	0.6
173.13202	1.3
175.14772	14.8
177.05478	1.9
177.16356	100.0
179.14224	0.7
181.05078	0.7
181.12216	18.7
189.16341	0.8
191.17923	12.8
195.13785	2.8
195.17427	3.2
201.16386	14.7
209.19009	2.2
219.17412	29.5
237.14914	0.8
237.18448	61.9
255.19499	99.0
256.19891	1.1
287.05423	2.5
288.05737	0.7
345.15326	0.6
493.32745	0.6
561.13403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.5
55.01859	3.1
55.05498	19.0
57.03422	2.5
57.07051	2.8
58.79960	1.8
59.04992	2.0
61.02913	4.8
62.46446	1.6
65.03909	2.1
67.05499	28.4
69.03414	29.3
69.07066	20.4
71.04971	12.2
71.25598	1.9
73.02905	7.9
76.88379	1.8
79.05475	36.6
81.03402	24.9
81.06600	3.9
81.07044	80.3
83.04964	21.6
83.08592	4.8
85.02888	74.6
85.06517	9.1
91.05463	44.4
92.08807	6.0
92.09308	2.4
93.07021	85.3
95.04951	19.4
95.08589	70.0
97.02859	34.6
97.06509	19.6
97.10157	4.0
99.04420	4.0
105.03382	86.5
105.07018	100.0
107.07861	3.7
107.08575	88.0
109.02856	13.3
109.06516	12.4
109.09401	2.7
109.10136	46.7
111.04393	2.1
111.08049	4.5
117.06996	19.0
119.04919	14.8
119.08569	57.6
120.05271	2.1
121.02827	2.4
121.06514	3.6
121.10120	52.6
123.04414	12.8
123.08041	2.3
123.11669	14.2
125.09651	14.4
127.03893	19.4
127.11181	3.6
129.07042	3.6
130.07721	3.4
131.08548	42.5
133.10118	60.4
135.04384	3.4
135.11659	25.2
137.05869	3.1
137.09634	2.8
139.03897	4.0
143.08539	4.4
143.10663	13.0
144.09326	7.4
145.02792	9.0
145.04936	11.5
145.06325	1.9
145.10110	84.7
147.04395	37.5
147.11676	23.3
148.04797	8.9
149.13225	12.4
151.11165	12.3
157.10069	4.5
159.11684	63.9
161.05925	2.4
161.13202	24.3
163.03847	9.9
163.06075	2.8
163.11136	4.1
167.06960	2.8
173.13303	17.0
175.14754	13.4
177.05435	10.2
181.04926	4.1
189.05510	3.8
189.12772	2.3
191.17786	2.3
201.16348	73.9
203.17889	3.1
213.05426	3.9
217.04791	2.0
219.17384	36.3
231.06483	9.8
234.59296	2.0
237.18417	20.1
244.96854	2.5
249.07516	11.2
259.05984	8.7
260.11087	2.2
267.08606	11.3
287.05457	3.5
295.08087	2.6
340.29956	2.1
363.21649	2.4
381.22528	4.0
432.63733	2.3
605.52075	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	596.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01886	2.1
55.05508	11.7
57.03423	7.8
57.07063	5.3
59.04986	2.2
61.02906	8.5
67.05494	16.1
68.91994	1.2
69.03416	22.1
69.07059	17.7
71.04979	58.4
71.08624	1.1
73.02898	2.8
73.06543	6.9
76.43393	1.5
79.05467	20.4
81.03407	10.1
81.07038	49.1
83.04967	5.6
83.08623	9.5
85.02892	86.2
85.06524	6.1
87.04430	1.7
91.03939	2.1
91.05465	22.4
92.08717	2.8
92.09265	3.0
93.07026	46.9
95.04942	6.8
95.08586	53.3
97.02869	22.6
97.06525	11.5
97.10170	5.3
99.04441	2.9
99.08089	8.8
105.03382	17.4
105.07013	75.0
107.08575	57.5
109.02864	12.6
109.06515	3.1
109.10145	30.0
111.08080	5.2
117.07001	7.5
119.04942	5.1
119.08565	25.5
121.02834	2.3
121.10118	28.6
123.08103	2.5
123.11687	11.9
123.30060	1.3
125.09610	34.7
127.03912	20.8
127.07520	5.4
127.11176	7.9
129.07014	1.3
130.07858	1.6
131.08545	17.8
133.10112	100.0
135.11688	8.6
137.09633	2.1
139.11201	1.9
143.10657	53.4
145.04938	18.6
145.10101	31.5
147.04410	16.9
147.11691	24.5
148.04752	1.8
149.13240	34.0
151.11142	5.6
155.10686	1.5
157.10191	2.1
159.11662	18.5
161.13237	9.1
163.05995	9.5
167.14293	72.0
169.12231	3.1
173.13274	1.8
175.14792	2.2
191.18044	2.3
201.16370	22.5
219.17403	74.4
235.16859	1.7
237.18442	18.5
249.07594	1.9
267.08292	1.4
287.05377	15.2
288.05743	7.3
325.11157	5.5
381.22568	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	596.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90364	0.8
52.72097	0.7
53.03922	1.9
53.89319	0.7
55.01864	9.6
55.05503	51.3
57.03174	1.4
57.03429	26.6
57.07064	1.5
59.04988	6.7
61.02904	5.7
67.05493	100.0
69.03430	7.7
69.07060	12.5
71.01333	1.1
71.04959	6.0
72.95657	0.8
73.02884	4.5
75.04448	1.3
79.05477	24.8
81.03396	13.0
81.07038	37.1
83.01335	3.4
83.04202	0.9
83.04961	13.4
83.08603	21.4
85.02889	20.0
85.06523	4.8
87.04453	4.8
91.03938	2.0
91.05461	13.9
92.09085	4.0
93.07025	17.6
95.04934	9.2
95.08578	16.0
96.39542	0.8
97.02873	8.4
97.06489	6.3
97.10146	31.3
99.04424	1.0
103.03918	5.4
105.03396	1.9
105.07015	9.6
107.04915	4.9
107.08575	19.5
109.02895	1.3
109.06481	4.6
109.10141	72.2
111.04404	2.1
111.08038	3.8
117.07010	3.5
119.08543	10.7
119.25832	0.8
121.06528	1.4
121.10130	5.1
121.80299	0.9
123.08060	1.6
125.05996	1.2
125.09598	21.6
129.05440	1.4
129.07004	1.2
131.08519	3.5
133.10118	1.4
135.07924	1.3
135.11650	5.0
135.66940	0.9
137.09599	3.4
143.10678	5.0
145.10083	6.6
147.11752	1.5
149.09598	1.1
153.12711	5.6
155.10655	1.8
157.10056	0.9
158.12514	0.9
163.03810	1.6
163.11147	10.8
173.09474	1.3
173.11703	20.7
181.12187	4.4
181.73265	0.9
189.11217	1.1
191.10632	2.2
199.13264	3.8
209.11780	6.3
212.22046	0.9
217.14316	4.3
227.12743	7.7
229.14316	38.2
235.32472	0.9
245.13733	1.1
257.13788	11.1
278.98923	1.0
283.15292	12.4
301.16397	32.4
319.17490	6.7
399.23682	1.0
596.16797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.3
53.03936	4.4
54.12505	0.3
54.81394	0.4
55.01854	2.2
55.05507	3.7
57.03431	3.5
57.07056	1.4
59.04990	0.7
61.02905	2.0
63.27981	0.3
64.73685	0.3
67.05492	5.3
69.03418	13.3
69.07055	3.8
71.04608	0.6
71.04977	13.5
73.02892	2.3
73.06542	0.6
74.50579	0.3
79.05471	8.2
81.03398	16.8
81.06592	0.6
81.07040	12.0
83.04971	3.8
83.08637	2.4
85.02892	30.7
85.06528	6.3
87.04447	0.8
91.03912	0.7
91.05454	6.5
92.08801	1.0
92.09308	0.4
93.07030	11.8
95.01335	0.6
95.04951	8.5
95.08588	7.1
97.02876	15.5
97.06502	3.4
97.10148	4.7
99.04418	3.6
99.08056	1.5
103.03914	0.7
105.03376	100.0
105.07011	19.7
106.03746	0.3
107.04913	0.4
107.08579	15.8
109.02861	10.6
109.06499	2.0
109.10137	10.3
111.04380	0.4
111.08054	0.8
115.05426	1.5
117.06992	2.2
119.04897	1.6
119.08551	10.2
121.06471	0.7
121.10123	10.7
123.04398	9.7
123.08044	0.4
123.11670	3.0
124.88051	0.3
125.06039	1.2
125.09608	18.5
127.03884	9.2
127.11196	6.0
129.06967	1.8
130.07712	0.5
131.04939	0.8
131.08557	4.8
132.51646	0.4
133.06479	0.8
133.10106	13.8
135.04399	4.3
135.11665	3.6
137.09612	1.4
137.13211	0.4
139.03868	2.5
139.11205	0.6
141.06985	0.5
143.04909	1.6
143.10657	32.7
145.04922	6.3
145.10109	18.8
147.04381	7.3
147.11659	7.0
148.04727	0.8
149.05942	0.5
149.09671	1.3
149.13254	1.6
151.11244	1.5
153.05458	0.8
157.06490	2.3
157.10110	0.7
159.04366	0.5
159.11679	6.7
161.05936	6.1
161.09718	0.3
161.13211	3.9
163.03879	14.8
163.06029	1.9
163.11200	0.8
165.05457	0.6
165.12737	2.0
169.06468	0.6
169.12218	0.5
171.04469	0.5
173.05995	0.5
173.13260	2.1
175.03909	2.3
175.07542	2.2
175.14807	1.3
177.05447	2.6
177.12766	0.4
181.04942	2.2
185.05948	4.0
186.30821	0.4
187.03914	1.5
187.07494	0.7
187.14726	0.4
189.05431	5.5
191.03447	0.8
191.17932	1.5
193.04967	1.4
197.05876	0.5
201.05447	0.7
201.16371	9.4
202.54283	0.4
203.03487	0.4
203.07025	2.6
204.10405	0.3
205.05008	2.5
207.06471	0.4
213.05431	12.6
215.06952	2.8
217.04926	2.6
219.17422	13.6
221.04150	0.4
231.06461	12.3
235.05952	1.9
237.18475	6.3
241.04892	1.6
249.07498	11.9
249.09825	0.6
255.19511	0.6
259.05960	13.9
266.24969	0.4
267.08578	13.9
277.07022	7.5
295.08096	4.8
305.15851	0.5
309.82495	0.3
363.21625	0.5
381.22754	0.5
467.20743	0.4
537.74872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17386	0.5
51.53570	0.5
53.00260	0.5
53.03934	1.4
54.81897	0.5
55.01859	0.8
55.05506	17.0
56.43597	0.5
56.59867	0.6
57.03428	17.8
57.07065	0.8
64.33501	0.7
65.03935	1.3
67.05494	56.9
69.03410	0.9
69.07055	14.9
71.04980	0.8
79.05476	28.3
81.03406	2.9
81.07040	46.0
83.04969	1.5
83.08612	4.5
91.05458	14.7
92.08804	3.2
92.20218	0.6
93.07024	32.2
95.04948	4.3
95.08585	37.5
97.06528	1.1
97.10135	1.0
98.98430	11.7
99.04443	0.8
105.07021	8.4
107.08573	14.8
109.02852	0.9
109.06523	1.3
109.10145	11.8
117.07016	3.0
119.08582	6.8
121.10128	9.8
122.24136	0.6
123.11687	2.7
131.08574	3.8
133.10123	3.3
135.11673	3.8
145.10112	3.8
147.04413	1.4
147.11720	2.1
149.13264	1.0
155.00937	0.7
159.11644	1.3
173.13174	0.9
261.03616	1.0
261.22247	0.8
335.07123	0.8
335.25751	100.0
336.25711	1.0
468.02261	0.8
513.52087	0.8
517.55353	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	1.0
57.07045	5.4
62.06013	0.9
71.08604	2.3
76.56498	1.0
92.08878	5.0
93.06979	1.1
95.08574	1.9
105.06947	1.1
107.26142	1.1
116.56529	1.1
137.94589	1.3
145.08769	1.1
149.10782	1.8
150.03267	1.2
165.33276	1.0
237.31984	1.4
283.15149	12.3
339.17749	7.9
595.41632	100.0
619.12250	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95404	0.3
54.83971	0.4
73.52795	0.3
74.02431	0.4
75.12647	0.4
75.36208	0.4
76.02464	0.3
91.05432	0.6
92.09104	1.0
105.07005	0.5
107.04935	4.1
110.07157	0.5
117.06994	0.9
118.06526	20.8
118.07369	0.7
125.36082	0.4
130.06490	2.6
132.08070	6.9
135.08041	1.6
142.06491	2.4
143.07291	1.8
143.64497	0.4
144.04427	0.5
144.08067	15.9
146.05989	88.9
147.06302	2.2
159.09164	8.8
160.07571	1.0
160.38580	0.4
163.07516	2.8
167.07014	1.7
170.05986	7.7
183.06482	0.4
188.07033	100.0
189.07356	2.7
192.94952	0.4
195.10132	2.2
205.09694	32.3
302.33990	0.4
340.88156	0.4
425.69263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03921	0.4
55.01875	0.2
55.05483	0.2
55.45684	0.1
57.03425	2.2
59.04966	0.1
61.02914	0.8
67.01846	0.1
68.99773	0.3
69.03064	0.1
69.03410	1.6
69.38553	0.1
71.01340	0.1
71.04973	10.4
73.02878	0.5
75.04455	0.5
75.75142	0.1
76.57083	0.1
79.05488	0.1
81.03399	0.8
81.07038	0.1
83.04963	0.6
85.02885	14.0
87.04445	0.4
90.93919	0.1
91.05462	0.1
92.08797	0.5
92.09357	0.2
93.06998	0.1
95.04945	0.1
97.02865	1.6
98.16385	0.1
99.04434	0.4
105.03365	0.5
105.06965	0.1
107.04926	0.4
109.02840	0.6
109.06484	0.4
109.86276	0.1
111.00777	0.9
111.04424	0.5
114.38296	0.1
117.83202	0.1
121.02048	0.2
121.02837	2.5
127.03927	0.7
129.05446	1.6
132.12955	0.1
133.02835	0.6
135.04359	0.1
137.02316	0.8
137.05933	0.8
145.04932	0.5
145.06444	0.1
145.10086	0.1
147.04390	0.7
147.06471	0.5
153.01808	3.4
157.06458	0.3
161.05846	0.1
165.01788	1.9
165.05392	0.2
167.07018	0.1
169.06459	0.1
171.04337	0.1
175.03870	0.1
183.02843	0.9
185.05923	0.4
197.07997	0.4
210.03758	0.1
213.05441	1.4
231.06454	0.7
241.04869	0.8
248.64908	0.1
258.05136	1.1
259.05920	0.4
269.04330	0.1
287.05429	100.0
288.05634	0.6
329.06522	0.1
339.37787	0.1
352.63803	0.1
414.19125	0.1
449.10443	0.4
595.16010	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.00309	0.2
53.03938	1.9
54.76518	0.2
55.01870	1.9
55.05503	11.6
55.83924	0.2
57.03428	8.8
58.70995	0.2
59.04985	0.5
61.02913	4.5
65.03923	0.2
67.05492	0.5
68.99784	1.0
69.03027	0.2
69.03414	11.3
71.01341	1.1
71.04975	21.1
73.02896	2.8
74.54975	0.2
75.04469	2.7
79.05448	0.5
81.03403	5.2
81.07029	0.4
83.01319	0.4
83.04964	76.3
85.02887	66.1
87.04443	1.8
91.03932	0.9
91.05460	0.5
92.08831	0.4
95.04945	1.0
95.13879	0.2
97.02868	13.9
99.04430	2.4
101.06010	1.1
105.03387	0.4
105.07028	0.3
107.04939	0.4
109.02871	4.4
111.00815	0.8
111.04424	23.3
115.03883	0.4
119.04890	0.3
121.02838	3.4
121.06464	0.3
123.04414	0.4
127.03893	8.2
129.05455	14.0
133.02834	0.4
137.02328	1.0
145.04933	4.9
147.04405	2.3
147.06499	2.6
149.05957	0.4
153.01793	4.1
153.05429	0.3
157.06529	0.4
163.06000	0.4
165.01802	2.0
183.02885	1.2
185.06010	0.3
207.06538	0.5
213.05498	1.4
231.06517	0.5
237.07561	1.9
241.04880	1.2
246.94267	0.3
255.08629	2.6
258.05222	1.3
269.04367	0.4
273.09784	0.4
287.05435	100.0
288.05753	0.4
299.05640	0.3
329.06555	1.2
341.00735	0.2
351.44775	0.2
397.09137	0.3
452.41745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.05484	0.1
55.35794	0.1
57.03426	0.1
61.02910	0.1
61.87048	0.1
65.03917	0.9
67.05495	0.1
68.99787	0.1
69.03414	1.9
71.66224	0.1
73.02899	0.1
77.38140	0.1
79.05468	0.2
81.03400	1.6
81.07044	0.6
85.02899	1.5
91.05461	15.1
93.07026	0.1
95.04958	0.2
95.08591	0.2
97.02882	0.6
97.10114	0.1
99.04408	0.4
105.03368	0.4
105.07027	0.2
107.04938	0.6
107.08574	0.3
109.02869	0.8
111.00790	0.6
115.05483	0.1
119.04919	41.6
119.08564	0.4
120.05247	0.1
121.02853	2.2
121.03828	0.1
121.06416	0.1
127.03896	0.8
133.02809	0.5
133.10132	0.1
135.04372	0.1
135.07979	0.1
137.02325	0.6
145.04922	0.2
145.06474	0.4
147.04388	100.0
148.04698	0.5
153.01805	3.3
153.82373	0.1
157.06459	0.4
161.05954	0.1
165.01796	1.2
165.05464	0.5
167.03325	0.2
167.07005	0.5
171.04347	0.2
173.06041	0.1
175.03917	0.2
183.02798	0.7
185.05931	0.2
197.05991	0.1
203.06952	0.1
209.04411	0.2
213.05489	1.3
231.06494	0.6
235.16840	0.2
241.04868	0.8
258.05133	0.8
259.05908	0.4
269.04425	0.1
271.09689	0.2
287.05441	50.2
288.05829	0.7
291.08521	1.3
309.09705	0.7
384.77402	0.1
405.09512	0.4
433.09268	0.1
583.62268	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1445
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
53.03934	0.4
53.40062	0.0
55.01858	0.1
56.57639	0.1
57.03423	0.3
64.87812	0.1
65.03917	0.6
65.13232	0.1
69.03413	1.4
71.04963	0.2
79.05463	0.1
81.03398	3.9
81.07059	0.1
84.82153	0.1
85.02880	1.1
91.05458	10.0
92.09000	0.3
93.07016	0.1
95.08598	0.1
97.02890	0.6
99.04440	0.3
104.80664	0.1
105.03350	0.3
105.07008	0.1
107.04916	0.1
107.08565	0.1
109.02864	1.0
111.00793	0.2
119.04916	31.1
120.05200	0.1
121.02862	0.9
127.03886	0.5
131.04903	0.1
133.02808	0.1
137.02339	0.3
137.13152	0.1
140.86107	0.1
141.06931	0.1
145.06465	0.1
147.04384	100.0
148.04730	0.6
153.01808	1.2
157.06526	0.1
165.01823	0.6
165.05440	2.2
181.04933	0.1
183.02881	0.4
185.05879	0.1
213.05443	0.4
231.06453	0.3
241.04857	0.3
258.05142	0.4
269.04388	0.1
287.05432	22.4
288.05698	0.1
291.08563	3.2
309.09650	1.5
328.58395	0.1
383.35928	0.1
423.64774	0.1
471.84750	0.1
572.47479	0.1
581.84137	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.1
53.03920	0.1
55.05490	0.1
57.03421	0.2
65.03923	0.9
67.05477	0.1
68.99763	0.4
69.03415	0.2
69.07034	0.1
70.18027	0.1
71.04971	0.1
73.02878	0.1
76.42784	0.1
79.05475	0.3
81.03408	0.4
81.07030	0.3
82.37280	0.1
85.02903	0.7
90.04774	0.1
91.05460	10.2
92.08857	0.6
93.07006	0.3
95.04900	0.1
95.08618	0.3
97.02879	0.5
99.04442	0.2
102.54314	0.1
105.03384	0.5
105.06990	0.1
107.04950	0.4
107.08567	0.5
109.02882	0.2
109.10103	0.1
111.00762	0.6
111.04465	0.1
114.29659	0.1
114.38297	0.1
119.04918	34.3
119.08601	0.5
120.05300	0.1
121.02851	2.0
121.10092	0.1
127.03859	0.1
133.02859	0.4
133.10120	0.4
135.04440	0.1
135.11761	0.1
137.02321	0.5
144.76906	0.1
145.02802	0.1
145.06483	0.2
147.04387	100.0
148.04747	0.8
153.00583	0.1
153.01785	3.0
153.02983	0.1
157.06490	0.4
161.13297	0.1
165.01820	1.3
165.05412	0.3
167.07022	0.3
171.04408	0.1
175.14798	0.4
177.05391	0.1
181.04993	0.1
183.02841	0.5
185.05975	0.5
189.16234	0.1
197.05916	0.1
213.05406	1.1
217.15746	0.1
231.06520	0.7
235.16885	0.2
236.17212	0.1
241.04956	0.6
249.07561	0.4
258.05133	0.7
259.05948	0.4
287.05438	49.4
288.05823	0.8
291.08627	0.1
309.09622	3.3
329.06433	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	594.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	6.2
53.03935	7.8
54.81741	4.8
55.01863	15.7
55.05312	2.7
55.05510	46.7
57.03429	26.3
58.84655	3.1
59.94545	3.4
60.11608	2.6
62.50442	2.7
67.05492	88.8
69.07056	22.8
75.18295	3.1
79.05479	61.8
80.51769	2.9
81.03383	3.8
81.07039	100.0
83.04944	5.6
83.08600	32.0
91.05022	4.1
91.05476	56.2
92.08731	8.2
92.09310	6.1
93.07029	86.7
95.04955	8.0
95.08585	59.3
97.02878	5.9
97.06506	7.5
99.00780	37.8
105.07005	38.5
107.04951	12.9
107.08597	40.2
109.02876	21.3
109.06507	5.1
109.10152	34.6
111.08043	3.9
115.03913	4.6
117.07011	15.0
119.04986	3.4
119.08588	28.5
121.06487	7.9
121.10105	24.4
123.08095	4.1
123.11677	8.5
133.10114	70.5
135.11691	13.9
137.05983	3.9
139.07446	5.2
143.08554	6.3
145.10138	7.2
147.11708	3.9
151.11183	17.9
159.11644	3.8
161.09604	29.3
161.13266	3.9
163.14719	3.4
173.13214	3.8
179.10655	14.9
189.09120	14.1
197.11598	3.8
225.11299	14.2
261.22061	17.5
292.59613	3.2
299.14868	99.1
305.71390	3.5
335.25732	96.8
409.65891	3.8
559.36188	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.3
55.05237	1.2
55.05502	28.0
57.03427	17.1
59.04996	2.1
60.84518	1.0
62.44809	0.8
65.03911	1.1
67.05151	1.1
67.05492	29.4
69.03410	3.8
69.07077	7.0
69.07366	0.9
71.04957	5.3
79.05474	35.6
81.03399	86.6
81.07039	29.3
83.04962	10.2
83.08600	26.7
85.06548	1.5
91.05464	27.7
92.08786	2.3
92.09279	2.0
93.07027	28.7
93.07581	2.0
95.04942	38.4
95.08578	16.2
95.41461	1.0
97.02849	1.7
97.06514	5.9
97.10142	24.7
103.56784	0.9
105.03361	1.7
105.07011	23.0
107.04942	24.7
107.08571	18.8
109.06504	13.8
109.10126	8.9
111.04413	1.2
111.08057	7.4
115.05390	3.9
117.06991	6.4
119.04907	1.5
119.08557	18.9
121.06478	17.4
121.10105	16.0
123.08009	7.7
123.11625	1.0
125.09611	19.7
128.71609	1.0
129.06985	13.8
131.04869	1.4
131.08548	19.0
133.06488	7.7
133.10097	9.2
135.04417	1.1
135.08035	8.6
135.11688	1.6
137.05972	1.6
137.09598	1.3
139.11142	1.0
141.07013	2.2
142.07750	4.2
143.08522	6.7
143.10641	1.3
145.06499	9.3
145.10107	6.7
147.04382	1.6
147.07991	7.5
147.11664	10.3
149.05948	1.0
149.09634	7.6
151.11093	1.4
153.09081	4.8
155.08531	4.7
157.06450	2.3
157.10092	13.0
159.08052	2.0
159.11684	2.4
161.09544	2.2
163.11162	6.2
169.10085	2.2
171.08009	1.4
171.11629	1.6
173.09651	1.7
173.13239	1.8
175.07564	1.1
175.11116	10.5
177.12740	1.6
179.08475	1.1
181.10017	1.2
185.09575	1.5
185.13235	1.3
187.11229	1.3
187.14841	1.0
189.11145	7.9
189.12701	3.2
191.14156	1.2
193.12195	25.4
195.11720	2.3
197.13187	2.0
199.11136	2.3
201.12772	1.2
205.12212	1.7
211.11082	1.3
211.13118	1.2
213.12590	1.4
215.14131	3.2
219.13788	3.6
227.12627	3.7
233.15327	7.1
237.12695	1.9
243.09691	1.1
245.15227	1.6
249.14841	4.0
255.13757	2.1
257.15253	1.1
259.13242	1.0
267.15860	46.7
273.14664	8.6
293.17438	1.1
331.29596	1.1
331.51035	1.1
339.23230	4.2
349.21527	6.6
357.24219	2.4
367.22562	16.5
385.23611	29.9
403.24689	8.7
441.26334	7.9
459.27319	100.0
477.28397	85.2
491.30002	12.9
509.30957	6.2
531.19788	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	1.2
53.03934	2.1
55.01863	1.3
55.05506	7.6
57.03423	7.6
57.07067	1.8
59.04989	13.7
61.02919	11.6
67.05500	8.6
69.03413	33.7
69.07062	9.1
69.97572	0.8
71.04979	9.0
72.08133	1.2
73.02905	4.6
79.05476	12.5
81.03400	15.0
81.07040	31.0
83.04969	5.1
83.08618	1.4
84.08135	1.0
85.02890	100.0
85.06535	2.0
86.09705	4.2
87.04440	1.1
91.03947	5.2
91.05465	10.5
92.09077	6.2
93.07026	17.4
94.07294	1.1
95.04929	7.9
95.08585	37.1
97.02869	29.3
97.06512	7.1
97.10147	2.0
99.04422	10.5
99.08110	1.0
103.03895	1.5
105.03369	20.5
105.07002	27.4
107.08578	25.3
109.02872	11.2
109.06483	7.4
109.10140	9.9
111.04435	2.1
111.08053	3.6
117.07001	4.2
119.04929	2.0
119.08561	25.3
121.06506	1.9
121.10107	13.7
123.04413	3.9
123.08044	10.5
123.11647	8.5
125.09605	14.8
127.03889	23.4
131.08530	11.7
133.10100	25.7
135.08034	2.2
135.11679	6.0
137.05939	2.0
137.09621	3.7
137.13223	7.6
139.11168	3.9
141.09103	8.6
143.08545	5.8
143.10670	1.3
145.02959	1.2
145.04947	28.2
145.10098	10.7
147.04413	6.2
147.11667	21.7
149.05891	1.2
149.09587	1.8
149.13271	4.2
151.11102	1.5
153.05519	1.3
153.09096	1.2
157.10112	5.8
159.08002	1.9
159.11676	10.6
161.09595	2.1
161.13243	2.4
163.03918	1.2
163.05983	8.7
163.11168	1.7
165.12718	26.7
167.07007	1.8
167.10602	1.5
169.10019	1.4
171.11653	1.9
173.07034	1.2
173.13222	1.2
175.07448	1.4
175.11101	1.3
175.14813	2.1
177.12737	1.4
179.10733	1.4
183.13759	32.6
187.11128	1.6
189.09126	1.5
189.12857	1.7
189.16393	5.5
191.08125	6.3
192.08476	7.0
193.08664	2.1
199.14853	2.2
217.15858	9.8
233.15370	1.8
235.16902	20.9
253.18025	2.2
267.08640	1.6
309.16772	2.0
316.83167	1.3
325.11090	8.9
326.14249	4.0
327.14362	3.8
327.17984	17.1
345.18973	7.1
397.22025	3.8
491.05219	1.2
560.18573	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01855	1.2
55.05504	0.9
61.02901	0.6
62.19628	0.7
65.03915	1.0
67.05489	0.8
69.03410	3.9
73.02892	0.5
76.56763	0.7
79.05476	11.9
81.03378	2.4
81.07038	13.3
83.04961	1.2
83.42098	0.6
85.02885	4.8
91.05455	21.7
92.09075	3.3
93.07018	2.9
94.04152	3.5
95.04943	7.3
95.08571	1.2
97.02862	1.3
105.03363	4.7
105.04510	0.7
105.07030	5.4
107.04946	6.3
107.08581	3.0
109.02869	0.9
109.06502	59.7
109.10126	1.1
110.95269	0.6
117.06980	1.1
119.04919	9.9
119.08567	4.1
121.06451	1.3
123.04410	4.7
127.03850	0.9
128.06171	0.8
129.06999	0.9
131.04872	1.1
131.08557	2.6
133.02824	17.6
133.10089	2.6
135.04369	5.0
137.05954	98.3
143.08530	5.3
145.04927	0.9
145.10109	1.0
147.04362	7.6
147.11720	1.1
148.04767	0.8
151.07539	0.9
153.05479	2.3
154.06291	1.3
154.67758	0.6
157.10112	3.5
159.11650	4.9
161.09569	1.1
165.05438	58.8
167.06999	13.0
171.11636	0.8
175.14786	0.9
179.05487	0.6
179.06995	1.1
185.77388	0.6
189.16235	0.9
197.08055	100.0
199.14777	3.3
217.15932	4.8
235.16885	1.3
299.13068	0.6
331.11743	3.6
439.12830	0.6
595.15771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32103	1.3
55.05500	1.7
57.07061	3.4
64.33776	1.5
66.67289	1.4
66.77351	1.4
67.05524	1.9
71.08648	2.6
92.09004	6.3
95.08522	1.4
113.64262	1.5
120.04106	1.6
199.30359	1.7
260.56674	2.0
281.13443	19.5
298.30164	1.7
299.79971	1.5
337.16122	7.1
457.23712	1.5
553.07550	1.6
593.40179	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	593.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81741	2.8
53.65939	2.7
54.41847	2.8
55.05504	5.4
65.70468	3.0
67.05478	6.9
73.20851	2.5
79.05460	4.4
81.07031	22.1
83.08584	3.7
91.05457	4.4
92.08881	9.7
93.07034	12.5
95.08579	16.0
102.49084	3.2
105.07003	12.8
107.08562	6.1
109.10160	4.2
113.68378	3.3
119.08596	4.7
121.10096	7.1
131.08521	5.2
133.10083	5.9
134.00360	3.3
135.11758	4.5
142.24599	3.3
143.08444	3.6
145.10162	7.6
147.11652	4.4
159.11745	5.4
171.11674	3.6
175.14853	3.3
183.11697	4.3
185.13268	3.9
187.14738	6.1
241.06552	5.1
249.10895	3.5
320.91452	3.0
390.70712	3.7
428.21680	11.5
430.18964	4.2
443.20105	4.5
445.21603	20.2
446.22617	24.4
447.23068	4.1
461.25140	25.0
463.26349	20.3
529.29199	37.6
552.31323	15.8
570.32257	100.0
588.33148	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	593.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82129	0.2
54.27109	0.2
54.63044	0.2
55.01810	0.2
55.05452	1.9
57.03384	0.5
57.07018	0.9
57.19535	0.2
67.05487	2.4
69.07015	0.4
69.68783	0.2
71.08576	0.7
73.35542	0.2
79.05409	1.2
81.03344	0.3
81.07052	1.8
83.04933	0.2
83.08591	0.7
85.02843	0.2
91.05425	0.6
92.08814	0.7
93.06948	1.0
95.04885	0.3
95.08581	1.6
96.22078	0.2
97.10075	0.3
105.06980	0.2
107.08504	0.3
109.10136	1.4
119.08472	0.2
121.10075	0.3
125.09502	0.3
131.08470	0.2
159.89572	0.2
207.72729	0.2
223.13246	0.4
229.14204	0.4
262.22836	0.2
289.96378	0.2
297.16815	0.7
298.17188	0.3
310.30981	0.4
313.27325	1.0
314.16364	0.3
314.27609	0.3
323.13809	0.2
328.18042	0.2
335.25696	0.2
336.25974	0.3
341.27655	0.2
364.17352	0.2
375.16159	0.2
386.16431	0.2
387.15936	1.0
388.16916	0.8
389.17612	1.8
390.18604	0.3
401.17825	0.9
402.18445	1.5
403.19058	4.3
404.19904	1.4
405.20569	2.2
406.21390	0.4
415.19403	0.5
416.19955	0.9
417.16895	0.9
417.21152	5.3
418.21680	2.6
419.22226	4.9
421.23486	0.3
430.17853	1.2
431.18005	10.9
432.19336	2.0
432.23743	1.0
433.23975	11.6
434.24796	1.6
444.18930	0.4
445.19806	14.3
446.20667	5.4
447.21658	7.3
449.23486	0.4
459.21396	6.3
460.22437	17.2
461.23126	15.1
462.24081	0.3
463.21207	0.3
473.23483	3.7
474.23856	0.8
475.21021	0.3
476.26324	1.6
477.22018	0.8
477.27020	0.8
487.24982	1.9
489.26993	0.3
491.24097	1.1
492.25043	1.4
504.20880	0.7
505.21649	5.3
505.83881	0.3
515.24493	0.3
518.22980	0.8
519.23926	1.0
533.25385	54.1
534.25891	1.4
558.38489	0.3
561.25128	0.8
564.23578	0.9
565.28027	1.3
575.26221	0.8
592.26642	0.8
593.27478	100.0
594.27814	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2754
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
56.36937	0.4
86.45717	0.5
92.09141	2.3
95.63392	0.5
106.07668	0.4
177.55725	0.6
202.49113	0.5
225.28990	0.5
363.49295	0.7
372.24426	0.6
388.16846	0.6
389.17725	1.1
403.19199	3.2
404.19894	0.6
405.20566	0.8
416.20334	0.8
417.20831	3.0
418.21548	2.0
419.22324	3.8
431.18039	8.9
432.19382	2.7
433.23871	7.7
434.24487	1.1
445.19629	10.7
446.20187	5.6
447.21667	6.3
459.21439	4.9
460.22446	12.6
461.23126	9.0
462.23892	0.6
473.23471	1.1
492.25415	0.8
504.20691	0.5
505.22086	5.7
519.23511	0.7
533.25415	31.7
565.27686	0.8
593.27496	100.0
594.27264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.2
53.03925	0.3
55.01851	0.2
57.03405	1.2
65.03911	0.4
67.05477	0.2
69.03391	1.2
69.07054	0.4
71.04966	0.2
79.05442	0.4
81.03397	4.1
81.07040	0.4
81.62730	0.2
84.58215	0.2
85.02871	1.3
89.03882	0.3
91.05463	15.3
93.07003	1.4
95.04932	0.4
95.08593	0.4
97.02860	0.8
99.04424	0.5
103.05446	0.4
105.03358	1.8
105.07028	0.5
107.04948	0.4
107.08554	0.4
109.02851	3.4
109.06465	0.3
109.10117	0.3
116.04951	0.4
118.04103	1.3
119.04920	30.8
119.08511	0.5
121.06594	0.3
121.10136	0.3
123.04411	0.4
127.03863	0.5
129.03282	0.5
131.04861	0.8
132.02025	0.9
133.02788	0.9
134.01822	0.2
135.04422	0.2
137.06009	0.3
145.02856	1.5
145.10104	0.3
146.03609	5.5
147.04390	28.1
149.02319	0.4
149.06023	0.2
157.03915	2.5
159.11691	0.3
160.01563	0.2
160.05099	0.2
162.03079	0.4
163.03920	1.5
164.04672	0.9
167.07059	0.3
174.01596	0.4
174.03076	8.3
175.03868	41.8
176.04349	0.3
177.05414	1.5
178.02551	0.4
179.06989	2.1
191.03479	0.3
192.04134	20.1
193.04843	1.6
193.06674	0.2
199.03947	0.2
201.05437	0.3
203.06967	0.4
205.04918	3.2
206.05679	0.5
207.06496	100.0
208.06798	1.0
217.08449	0.2
219.06450	0.8
231.06566	0.2
249.07535	13.4
255.33644	0.2
263.09055	0.5
281.10144	34.2
315.08783	0.3
317.06268	0.2
317.26974	0.2
351.10785	0.5
389.12152	0.9
407.13306	1.6
425.14191	1.3
443.15332	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	592.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.5
55.05503	55.4
57.03424	30.1
57.07070	62.4
67.05482	84.8
69.07048	23.9
71.08615	40.5
79.05467	30.0
79.63762	4.9
81.07040	55.5
83.04951	5.4
83.08585	28.4
85.02900	12.0
85.10162	26.1
88.45097	4.7
88.86028	5.0
91.05453	8.6
92.09006	54.0
93.07002	23.4
95.08585	50.3
97.10153	29.2
105.07012	8.5
107.08576	6.5
109.10132	63.7
111.08086	6.4
121.58298	4.9
123.11651	6.7
125.09606	23.1
145.10152	5.9
173.11618	5.8
185.20589	5.0
199.13260	10.5
229.14342	35.3
246.59830	5.5
301.16388	10.2
313.27307	100.0
411.36157	7.0
411.45334	6.3
412.36356	7.9
445.20200	6.3
455.37540	7.9
467.37140	27.1
473.97827	6.2
533.24969	22.6
539.38367	9.0
593.27460	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	592.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65837	0.6
53.03933	1.4
55.01857	0.9
55.05500	4.4
56.05025	3.9
57.07059	1.8
60.04498	2.7
64.40453	0.6
67.05486	14.5
69.03410	5.3
69.07027	3.6
70.06573	0.7
71.04974	3.6
72.63857	0.7
79.05484	13.3
80.05008	4.2
81.03400	1.8
81.05764	1.4
81.07035	14.7
82.06569	5.6
83.04951	0.9
83.08596	3.5
85.02891	3.2
85.06512	1.4
87.04439	3.2
91.05473	7.6
92.08997	1.7
93.07019	29.2
94.06541	21.6
95.04932	5.0
95.08585	27.2
96.08106	5.0
97.02849	0.9
97.06503	6.7
97.10114	1.2
105.07014	14.3
107.07314	4.4
107.08518	0.8
109.06473	0.8
110.09657	11.4
111.08068	16.3
119.08528	1.3
121.10094	1.0
122.09647	41.8
123.08047	27.0
128.10692	31.0
140.10683	100.0
141.09082	6.8
145.10027	0.9
158.11743	7.6
210.05605	0.7
272.25687	4.9
338.39536	0.7
376.31955	1.0
382.33170	7.0
394.33002	15.1
412.34134	65.1
441.17609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82211	2.0
57.07067	3.7
65.59052	1.5
67.05513	2.2
71.08617	2.1
80.02785	1.5
81.07061	2.5
83.08592	2.2
89.05964	1.8
90.46825	1.5
92.08711	3.9
94.37802	1.7
95.08585	3.9
100.08513	1.4
105.07024	1.9
106.53503	1.5
120.89285	1.7
133.10181	2.3
142.82304	1.7
145.38882	1.6
239.41713	1.7
255.19273	1.6
279.12003	5.7
313.27585	2.0
591.38617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.01857	22.1
55.05492	12.2
57.03419	26.7
57.16381	2.5
66.08289	2.9
67.05492	48.9
68.43307	2.8
69.07069	6.5
70.32622	2.9
71.04986	3.8
73.92782	3.1
79.05473	25.7
81.02939	3.8
81.03403	95.2
81.07046	29.4
83.04971	39.1
83.08598	23.3
85.02917	5.2
85.06523	4.0
87.04475	3.3
88.91420	2.8
91.05478	28.3
92.08667	14.4
92.09288	19.2
93.07015	36.2
95.04945	28.5
95.08584	17.1
97.02877	3.9
97.06522	12.9
99.04412	6.0
105.07011	23.6
107.04966	6.3
107.08566	23.3
109.06491	5.5
109.10136	18.0
111.04417	66.3
111.08082	29.7
115.03918	14.9
117.07008	3.2
117.25957	3.3
119.08562	26.5
121.10114	29.2
125.05965	4.8
129.06990	5.5
131.08548	18.5
133.10121	4.5
135.11684	26.1
145.10074	28.2
147.08043	3.2
147.11685	17.3
149.09587	13.7
153.12701	33.1
157.10123	12.8
157.59769	4.3
163.09903	5.0
163.11162	44.6
173.09650	13.1
175.11163	7.7
181.12160	48.1
191.10564	25.5
193.12221	18.2
193.84668	3.4
209.11763	13.0
219.69156	3.2
222.09663	4.0
227.12657	27.7
243.60918	3.6
249.91014	4.0
267.15863	100.0
283.15317	7.6
315.17926	58.5
493.27823	16.9
507.29489	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
54.43673	0.1
54.64117	0.2
55.01866	1.8
55.05496	0.2
57.03431	1.7
59.04993	0.3
61.02893	0.3
69.03414	12.1
71.01321	0.8
71.04979	4.4
73.02881	0.9
75.04448	0.3
75.72069	0.1
79.05476	0.3
81.03397	15.0
81.07019	0.7
85.02879	0.4
85.06481	0.3
87.04464	0.2
91.05423	0.4
92.08694	0.3
92.09209	0.5
93.07002	0.8
95.04900	0.7
95.08539	0.2
97.02847	0.8
98.14597	0.2
99.04429	5.7
105.03372	6.1
105.07001	0.4
107.08586	0.3
109.02816	0.4
116.04972	0.3
117.05463	1.6
118.06528	2.1
123.08071	0.2
127.03867	0.4
133.10130	0.3
135.09174	0.2
137.05934	0.2
139.07437	0.2
145.02777	0.2
145.07582	4.6
147.08049	0.3
147.09146	6.3
151.95895	0.2
159.11760	0.2
161.07030	0.3
162.07845	1.1
163.08620	1.1
167.06995	0.4
173.07063	9.5
173.13092	0.2
175.07216	0.4
175.08638	7.3
177.05469	0.2
181.04880	0.3
190.07288	0.7
191.08115	100.0
192.08501	1.3
205.09666	0.8
211.09541	0.2
215.11694	0.4
228.35753	0.2
231.11232	0.8
233.09325	1.4
245.09149	0.3
249.07625	0.3
271.10754	0.3
289.11734	1.4
307.12827	18.8
308.13226	0.3
319.15009	0.2
325.13870	50.2
326.14102	0.8
394.93036	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01855	1.5
55.05507	14.2
57.03168	1.7
57.03426	23.3
57.07069	48.4
58.28636	0.8
67.05490	19.7
69.03397	0.9
69.07053	9.8
71.08618	33.8
75.15150	0.8
79.05483	11.8
81.03402	100.0
81.06602	1.2
81.07037	20.1
83.04958	5.7
83.08611	24.3
85.10174	18.6
89.95611	0.9
91.05460	16.1
92.08746	5.3
92.76463	0.9
93.07029	8.9
95.04941	20.6
95.08578	23.6
97.06522	1.3
97.10165	6.9
103.07625	0.9
105.07000	12.2
107.04929	6.8
107.08569	4.3
107.10703	0.8
109.06495	1.6
109.10126	11.2
111.04459	1.1
111.08062	7.3
111.27782	0.9
119.08566	12.6
121.06482	1.4
121.10096	6.3
123.11636	3.5
129.06975	8.6
131.08534	9.3
133.06471	4.1
133.10127	5.3
137.09569	1.4
142.07721	1.6
147.08028	1.6
147.11711	6.8
149.09645	4.5
151.63054	0.9
157.10083	9.6
165.12747	1.6
175.11127	12.1
193.12209	30.3
216.13249	1.0
239.23726	1.8
246.06958	1.0
249.14777	1.5
257.24789	2.1
267.15860	90.7
313.27310	88.9
461.87976	0.9
505.38806	69.2
571.30078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.0
53.03932	1.9
54.27046	0.7
55.01869	1.4
55.05508	11.9
57.03137	0.9
57.03429	25.9
57.07069	47.6
67.05495	22.3
69.03420	1.2
69.07048	10.7
71.05005	1.2
71.08617	35.8
79.05489	11.7
80.47119	0.8
81.03402	100.0
81.06596	1.5
81.07041	26.5
83.04963	4.3
83.08607	24.5
85.06564	0.7
85.10172	17.1
89.06032	1.0
91.05473	16.9
92.08993	7.1
92.09468	0.9
93.07027	9.3
95.04955	27.1
95.08588	28.2
97.02907	1.9
97.06480	1.5
97.10167	7.8
99.08105	0.9
99.11741	1.0
103.07582	1.2
105.07018	16.4
107.04939	5.1
107.08600	5.8
109.06507	3.4
109.10135	9.3
111.08080	6.8
111.11700	0.8
119.08560	14.6
121.06491	3.8
121.10130	7.7
123.08069	1.4
123.11677	3.6
129.06969	10.4
131.08559	8.8
133.06480	2.0
133.10103	5.2
135.05179	0.9
137.09586	1.2
142.07796	1.4
145.10104	1.5
147.08035	3.8
147.11678	8.6
149.09605	5.9
157.10106	12.1
165.12614	1.0
175.11136	8.4
193.12234	26.7
211.13208	1.2
213.28159	1.0
223.13435	0.9
239.23715	1.3
249.14873	1.5
257.24771	2.0
267.15866	96.8
269.73438	0.9
280.59509	0.8
313.27313	89.9
505.38785	81.0
505.46390	2.0
578.18567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81937	2.0
55.01851	2.9
55.05500	27.8
57.03431	22.6
67.05489	46.2
69.03417	4.6
69.07050	10.0
69.58050	2.0
69.65548	2.0
71.04973	6.0
79.05467	23.3
81.03394	100.0
81.07032	35.9
83.04964	12.3
83.08595	25.9
85.02882	14.9
91.05451	54.3
92.09089	9.9
93.07011	26.3
95.04947	30.4
95.08578	15.9
97.02863	10.0
97.06529	3.5
97.10125	3.8
105.07011	41.0
107.04926	14.0
107.08567	17.1
109.02866	9.5
109.06506	10.2
109.10130	17.2
111.08028	10.0
113.02335	31.3
117.06971	5.0
119.08565	26.4
121.06534	4.2
121.10100	11.3
123.08051	5.6
125.00034	4.5
125.09632	3.6
129.05452	2.7
129.07014	12.8
131.08549	13.1
133.06499	3.8
133.10118	52.9
135.08028	3.2
137.09540	4.8
143.08578	3.2
145.10109	2.4
147.08040	5.7
147.11685	6.0
149.09586	3.8
151.11162	14.8
157.10114	12.4
161.09569	22.2
175.11072	10.5
179.10664	18.9
184.07281	12.8
189.09117	9.3
189.11060	2.3
193.12210	26.4
207.10159	6.2
211.13263	11.4
219.36812	2.6
225.11334	4.1
267.15808	69.9
272.41025	2.8
285.16818	3.4
303.75122	2.8
313.16394	38.9
404.57672	2.6
439.26804	15.5
473.25238	10.8
488.86520	2.7
491.26392	5.3
505.27777	42.5
519.55865	2.9
523.28363	4.0
526.49023	2.8
555.31036	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	590.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.1
57.03418	0.1
57.13107	0.1
58.22180	0.1
59.58177	0.1
61.02905	0.3
61.65361	0.1
64.34025	0.1
65.03933	0.3
68.79288	0.1
69.03409	0.8
71.01324	0.1
71.04982	0.1
73.02895	0.1
81.03395	0.6
83.01350	0.1
85.02898	1.2
91.05459	3.6
93.07030	0.1
97.02867	8.0
99.04440	0.4
109.02864	1.1
109.95983	0.1
119.04913	15.9
120.05194	0.1
127.03873	1.3
139.03838	0.6
139.79417	0.1
145.04907	0.6
147.04382	100.0
148.04749	0.8
162.05438	0.1
165.05409	0.5
182.53014	0.1
187.05907	0.1
205.07069	0.3
273.07562	0.1
291.08633	0.1
301.36115	0.1
309.09634	1.7
351.10666	5.1
353.90485	0.1
379.11948	0.1
385.09866	0.1
434.30655	0.1
603.03418	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	590.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.2
53.03937	3.1
55.01858	0.5
55.64361	0.1
57.03426	0.9
61.02897	0.6
62.12509	0.1
65.80691	0.1
67.05489	0.2
67.75804	0.1
69.03413	6.6
69.04733	0.1
69.07040	0.2
71.01337	0.1
71.04964	1.0
73.02885	0.1
74.71591	0.1
77.03917	0.6
79.05470	4.5
79.86716	0.1
81.03397	14.3
85.02884	9.0
85.14086	0.1
92.08657	0.1
92.09156	0.2
95.04945	5.1
97.02865	9.4
97.06503	2.2
99.04440	2.0
99.54603	0.1
105.03368	100.0
106.03721	0.3
106.31952	0.1
108.04453	0.2
109.02857	8.6
111.82968	0.1
121.10156	0.1
123.04398	9.9
127.03889	6.3
141.70883	0.1
145.04912	1.4
147.04372	0.2
161.02267	0.2
163.03868	1.6
173.02284	1.0
215.07042	1.5
231.06506	1.1
249.07510	19.0
259.09583	2.1
267.08563	19.4
307.93542	0.1
325.48062	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	588.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89233	2.2
54.82367	2.7
55.01865	18.9
55.05502	12.8
57.03423	17.8
57.07072	63.2
67.05495	43.2
69.07050	13.0
71.04969	3.9
71.08625	39.3
79.05470	21.6
81.07043	37.7
83.04974	45.4
83.08600	18.3
85.10157	16.9
89.05969	3.1
91.05459	5.7
92.08790	6.4
92.09291	4.3
93.07031	37.2
95.08574	31.6
97.06528	10.8
97.10142	3.5
99.04416	3.6
99.08054	3.3
102.40343	2.4
107.04935	4.9
107.08603	16.2
109.10142	26.9
111.04433	100.0
111.08076	32.3
115.03905	17.8
117.06995	4.2
119.08567	11.6
121.10130	29.5
123.11645	4.9
126.12281	2.5
131.08553	4.9
135.11678	28.9
139.07536	3.6
145.10074	22.8
147.11679	4.4
149.09633	5.6
153.12723	39.6
157.31757	2.6
163.11172	63.2
173.09534	5.7
181.12222	66.6
191.10629	45.2
209.11726	24.3
227.12741	48.2
241.14398	9.6
283.15295	23.5
313.27292	93.3
315.17960	75.5
539.39093	21.9
553.40955	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
53.55889	1.5
55.05499	11.4
57.03418	7.7
57.07060	2.7
61.02908	12.4
67.05486	9.5
68.97793	1.6
69.03407	9.0
69.07057	19.3
71.04957	1.9
73.02900	100.0
79.05469	7.9
81.03399	2.3
81.07042	23.6
83.05013	2.2
83.08591	4.5
85.02891	7.3
91.05452	12.0
93.07015	23.8
95.01981	2.0
95.04933	4.0
95.08585	50.4
95.09129	2.0
97.02894	2.7
97.06525	16.6
97.10143	2.4
100.27682	1.8
105.03351	10.3
105.07040	17.7
107.08572	39.3
109.06529	2.4
109.10143	35.8
115.03881	4.6
117.07005	2.7
119.08569	32.7
121.10115	38.4
123.11676	10.4
131.08530	7.5
133.10100	28.9
135.04391	7.2
135.11687	32.3
137.13213	2.7
145.02744	2.9
145.10075	3.9
147.11673	21.8
149.13225	12.7
159.11653	4.5
161.02278	3.4
161.13214	14.4
162.96010	1.8
163.03877	18.7
163.14775	19.5
173.02335	4.5
175.14806	13.0
177.16336	4.3
187.14764	4.4
189.16345	37.8
191.17905	93.9
201.16388	7.2
203.17941	48.9
205.19473	7.4
213.05426	2.1
215.06993	14.0
215.17847	3.4
217.19562	4.1
229.19365	2.8
235.16866	2.5
247.17140	2.2
249.18431	10.3
259.09622	11.3
277.10663	10.5
393.35199	3.6
411.35901	9.2
439.35602	35.2
589.32196	3.0
589.40979	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.05488	0.6
57.03417	1.3
61.02895	0.5
67.05463	0.8
69.03416	6.4
69.07051	0.7
71.04958	0.6
79.05471	6.1
81.03397	16.3
81.07043	1.4
83.04952	0.6
85.02888	8.9
85.37518	0.3
91.05431	0.6
92.08822	1.7
93.07021	0.6
94.60006	0.3
95.04947	6.0
95.08596	0.4
97.02864	8.8
99.04430	2.8
105.03371	100.0
105.07016	1.3
107.08588	0.6
109.02870	8.7
119.08547	0.3
121.06512	0.4
121.10123	0.3
123.04395	10.2
123.10989	0.3
127.03883	5.9
133.10046	0.3
145.04980	1.6
149.27374	0.3
159.11638	0.4
231.06496	1.3
249.07524	18.7
267.08569	22.2
320.68472	0.3
342.00555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
57.01324	0.4
59.19034	0.4
60.07893	0.6
60.08155	9.0
63.75728	0.4
67.05486	0.7
69.07066	0.5
71.07369	3.5
71.08210	0.5
71.98820	0.4
73.02890	0.4
79.05464	0.5
81.07030	2.5
86.09692	44.4
91.05452	0.7
92.08711	2.6
92.09340	1.2
93.07011	2.5
95.04944	0.5
95.08594	4.1
97.06512	0.5
98.98460	3.9
104.10695	3.8
105.06992	2.3
107.08582	2.4
109.10155	3.8
119.08566	3.4
121.10105	2.3
124.99986	33.1
131.08533	0.7
133.10097	3.0
143.08643	0.5
145.10059	1.0
147.11646	1.9
149.13219	0.6
159.11694	0.6
161.13167	0.5
184.07314	100.0
201.16319	0.9
203.17938	1.0
215.17940	0.6
410.87936	0.5
427.36139	0.6
437.33984	0.7
438.34476	0.9
460.13464	0.5
570.34601	0.9
588.36560	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	588.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.6
53.77795	1.0
55.01870	7.5
55.05487	1.6
57.03419	6.2
60.34662	0.8
61.02908	4.4
65.03924	1.7
67.05495	9.4
69.03413	16.3
69.07047	2.1
70.06561	2.1
71.04974	6.3
73.02901	2.1
73.19952	0.9
75.04453	1.6
79.05480	9.9
81.03413	9.1
81.07037	6.3
83.04964	4.4
83.08602	1.1
85.02890	29.1
85.06518	1.0
86.09687	2.6
88.77929	1.1
91.05459	24.5
93.03371	4.7
93.07027	13.9
95.04961	8.4
95.08578	1.9
97.02860	9.8
97.06497	1.4
99.04425	6.7
103.03890	1.8
103.05444	21.6
105.03369	4.4
105.07008	23.8
106.04169	11.3
107.04952	46.5
107.08568	5.2
109.02856	5.3
109.06478	5.4
109.10136	8.7
111.04416	4.2
111.08090	1.9
115.05419	5.0
117.06984	5.1
118.04085	1.5
119.04922	10.1
119.08524	4.1
120.05653	1.0
121.06477	28.2
121.10131	5.1
121.77994	1.0
121.78799	1.0
123.04401	5.4
123.08035	1.7
124.03862	2.3
124.05181	2.1
125.05954	2.5
127.03879	9.5
128.06195	1.2
129.05463	1.4
129.06967	8.0
131.04890	23.4
131.08534	4.3
132.05692	5.9
133.02843	1.5
133.06471	24.3
133.10100	1.6
134.03580	1.2
135.04416	2.3
135.08049	10.3
135.11665	1.6
136.05075	1.3
137.05954	32.0
137.09634	4.4
139.07578	1.0
143.08588	1.5
145.04951	1.7
145.06430	1.2
145.10121	2.6
146.03502	1.2
146.07162	1.9
147.04388	4.0
147.08034	1.4
148.05133	6.3
149.05966	33.0
149.07185	1.3
149.09589	4.3
150.06279	2.4
151.03815	1.4
151.07524	14.9
153.05479	2.0
153.06931	1.4
153.09074	4.8
157.06465	6.6
159.04390	1.7
160.05232	1.9
161.05951	100.0
161.09592	30.1
162.03250	1.2
163.03880	8.4
163.07507	47.8
163.11145	5.9
165.05443	9.9
165.06786	1.6
165.09045	7.5
166.06207	1.5
167.07005	67.0
167.10591	2.4
169.08508	6.3
173.05882	1.2
173.11671	1.7
174.06744	2.4
175.07501	9.8
176.04688	1.1
177.05452	16.9
177.09032	2.3
179.07034	14.5
180.07765	20.5
181.06618	2.2
181.08565	31.9
189.05562	1.4
189.09061	55.2
191.06990	21.8
191.10513	1.5
192.07765	6.9
193.08542	11.6
197.08020	1.7
205.08565	1.6
207.06599	2.0
207.08202	2.3
207.10133	56.6
209.08043	22.9
209.11699	1.1
210.08385	1.9
213.09064	3.9
216.94504	1.1
217.08589	1.5
219.10081	4.1
221.08093	1.6
227.12819	2.2
229.14337	8.3
233.08005	1.8
242.09445	1.3
245.08185	1.6
253.08595	1.9
255.10092	1.2
257.11768	1.2
273.11127	6.4
283.09692	1.8
285.11179	2.6
291.12134	2.0
305.10281	1.6
315.12219	1.6
317.13754	2.3
323.11469	1.4
341.12540	4.9
343.15302	5.1
343.91733	1.0
353.12143	1.2
355.17560	1.6
361.16388	65.6
373.16357	5.1
415.77130	1.1
499.21161	1.3
517.22772	1.5
540.18256	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.3
53.29766	0.9
54.81515	0.9
55.01855	4.7
55.76017	0.8
57.03417	4.3
61.02896	2.2
67.05482	2.2
69.03417	8.8
70.06544	1.1
71.04970	1.5
73.02883	1.1
79.05462	9.1
81.03380	6.3
81.07037	2.2
85.02887	17.8
85.06508	1.1
91.05452	16.2
92.08752	1.7
92.09226	1.4
93.07030	6.5
95.04927	4.9
95.08595	0.9
97.02881	7.0
99.04410	1.9
103.03879	1.4
103.05447	23.9
105.03364	1.3
105.07006	20.2
106.02877	1.4
106.04129	3.9
107.04938	40.6
107.08547	1.0
109.02850	3.8
109.06514	1.9
109.10165	2.1
115.05431	4.4
117.06998	2.0
118.04142	1.3
119.04914	10.6
120.05684	1.3
121.02853	1.0
121.06487	17.9
122.03682	1.1
123.04395	1.7
123.08070	1.0
124.03900	1.3
125.05939	1.0
127.03867	7.2
128.06232	1.6
129.06947	7.3
131.04893	21.9
131.08530	3.9
132.05661	5.4
133.02806	2.3
133.06467	17.2
133.10205	1.4
135.04358	3.4
135.08051	7.6
137.05949	30.8
141.06952	1.0
145.02835	1.0
145.06436	4.5
145.07483	1.2
146.03537	1.0
146.07243	2.3
147.04366	2.2
148.05182	6.9
149.05959	23.5
151.07521	13.4
153.05473	1.9
153.06908	1.2
157.06435	4.9
159.04381	1.4
159.08028	1.4
160.05188	1.4
161.05943	100.0
161.09550	24.5
163.03871	6.3
163.07501	56.8
165.05435	9.8
165.09091	5.2
166.06180	4.3
167.06999	53.6
169.06410	1.0
171.08090	1.7
173.05913	1.3
174.06717	6.2
175.07446	7.2
177.05432	13.8
179.07001	15.9
180.07755	25.3
181.06464	1.2
181.06880	1.5
181.08554	23.4
182.07204	1.0
187.07623	1.1
189.05466	1.1
189.09058	56.1
189.10773	2.0
191.06981	14.6
192.07809	6.8
193.08549	7.1
195.08107	1.3
197.07994	1.7
203.06882	1.1
207.06520	5.0
207.10121	54.6
209.08043	13.9
213.08961	1.4
219.10098	2.3
221.08070	3.7
241.08531	1.3
253.08495	1.3
257.11642	1.5
266.81500	1.0
273.11154	4.4
283.09473	1.2
285.11237	3.9
291.12100	1.2
315.12234	4.4
317.13824	3.8
323.11111	1.1
329.13712	1.8
335.11133	1.2
341.12479	5.8
343.15298	3.9
353.12201	3.4
361.16364	67.8
367.39896	1.2
371.13242	3.5
373.16309	6.7
387.28580	0.9
391.29004	1.0
429.15854	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82485	0.3
51.78602	0.3
51.83168	0.3
53.03926	1.3
54.56773	0.3
55.01870	3.7
55.05496	0.5
55.08715	0.3
57.03403	2.1
58.62384	0.3
61.02910	0.5
65.03927	0.4
67.05466	1.0
69.03419	3.4
69.07034	1.0
71.04963	0.8
79.05469	6.8
81.03391	4.6
81.07040	3.3
83.04965	0.6
85.02879	3.5
85.06487	0.4
91.03895	0.4
91.04966	0.4
91.05469	8.0
93.07027	5.2
94.04134	0.4
95.04905	1.9
95.08566	1.6
97.02846	1.7
97.06477	2.6
99.04415	2.4
103.03934	0.4
103.05451	8.6
104.06223	0.5
105.03339	0.9
105.07012	33.9
106.02877	2.0
107.04934	4.6
107.08578	7.1
108.05715	0.9
109.02851	2.9
109.06500	4.0
109.10130	0.7
111.04401	0.5
111.08080	0.8
113.05980	0.6
114.38007	0.4
115.05451	1.4
117.06973	0.9
118.04144	8.4
119.04129	0.6
119.04915	8.0
119.08535	0.9
120.05672	1.9
121.06471	5.9
121.10081	2.6
122.07221	2.1
123.04424	0.9
123.08041	4.0
124.03941	2.1
124.05161	2.7
125.05918	0.7
127.03875	2.3
131.04912	10.8
131.08548	0.5
132.05675	0.9
133.02841	9.3
133.06467	32.7
134.07173	1.8
135.04372	2.1
135.08034	8.6
135.11639	1.7
137.05956	17.1
137.09605	0.9
140.11313	0.4
145.10101	2.7
146.03587	1.7
147.04388	7.4
147.08005	0.5
147.11664	0.5
148.05246	1.4
149.05962	6.0
149.09589	1.5
150.06737	20.5
151.07529	9.8
152.08290	0.7
153.05486	0.5
153.06865	0.7
161.05986	5.0
163.07507	9.8
163.11142	7.0
165.05414	2.3
165.09085	23.7
167.07001	17.4
167.10674	3.0
169.08569	7.5
173.09569	0.4
175.07561	0.5
177.05446	0.4
178.06236	2.8
179.07008	7.8
179.10475	0.5
181.06468	2.0
181.08560	1.8
181.12140	2.1
183.10133	0.6
191.06995	0.6
191.10626	3.4
193.08569	93.7
194.08813	0.5
195.08063	0.5
195.10085	0.5
209.11700	3.4
211.09622	100.0
213.09099	1.5
213.11174	1.7
225.09154	0.4
227.12741	5.8
241.08632	1.7
250.07104	0.5
268.08298	0.6
273.11261	3.9
313.77420	0.4
341.13876	1.4
353.15961	2.5
361.16382	2.8
371.16949	4.2
540.18445	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3035
Annotation	Gln His Phe Arg
Peak:m/z	Relative Intensity
53.03912	0.5
55.05512	1.0
57.03429	0.5
59.86015	0.4
61.02914	0.5
64.34085	0.5
67.05491	1.1
69.03434	3.8
69.07051	1.0
71.04981	0.9
79.05470	2.4
81.03403	3.2
81.07044	5.1
82.07398	0.5
83.04963	1.8
85.02893	3.9
85.06525	0.8
86.09683	0.6
91.05456	4.3
92.08805	1.4
92.09302	0.7
93.07040	3.5
95.04961	3.5
95.08587	3.3
97.02869	1.1
97.06506	0.7
99.04420	0.7
105.03378	12.1
105.07012	2.5
106.03712	0.8
107.08588	2.8
109.02863	0.9
109.06506	1.1
109.10149	1.9
119.08576	2.1
121.02869	1.1
121.10136	2.8
123.04434	0.7
125.09706	0.7
127.03886	0.6
133.10101	1.0
137.05936	1.1
143.08604	0.7
145.02876	0.9
145.10181	0.7
147.04407	2.3
147.07959	0.6
151.11189	0.7
157.10086	0.7
161.09688	0.6
167.07066	0.8
172.05551	0.5
177.05499	0.9
184.07320	0.6
203.05290	2.5
223.07574	1.1
247.64809	0.5
267.08640	0.7
303.13522	0.5
407.23895	3.5
413.77594	0.6
425.25192	1.2
449.67047	0.6
467.25623	0.6
470.22781	0.6
586.29291	1.2
587.30304	100.0
588.30579	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	6.8
57.07067	48.6
59.59872	1.6
67.05498	3.2
69.07050	2.4
71.08614	32.4
73.06523	9.7
79.05426	2.5
81.07031	2.8
83.08620	2.5
83.54563	1.7
85.10170	22.1
87.04419	7.0
89.06007	100.0
91.05458	1.8
93.07005	7.9
95.08566	4.1
97.10137	3.1
99.11684	2.0
107.07054	3.3
107.08571	2.5
109.06501	3.5
109.10084	2.4
114.69370	1.6
117.09119	3.0
119.08590	2.6
131.08519	2.5
132.74178	1.5
133.08585	33.2
133.49544	1.8
145.10120	2.9
145.50288	1.7
176.08255	1.6
177.11201	12.0
199.20589	1.8
221.13786	2.1
243.23163	8.4
255.23604	1.6
287.25726	7.1
327.20212	1.8
359.16855	1.9
385.10492	1.8
415.25266	6.8
530.58307	1.8
569.42450	20.3
586.45166	3.8
591.30084	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63593	1.9
53.00298	2.8
53.03933	1.9
53.34437	1.5
53.46126	1.6
54.82125	1.7
55.01859	2.5
55.05511	24.4
57.03430	22.9
57.07067	64.2
62.06350	1.9
67.05492	35.7
69.03423	2.5
69.07049	14.5
71.04988	2.2
71.08611	38.1
77.29002	1.9
79.05479	14.5
81.03406	11.3
81.07038	44.7
83.04994	3.5
83.08614	17.7
85.02888	23.6
85.06497	3.0
85.10152	17.1
87.90744	1.8
89.06046	3.7
91.05479	37.3
93.07045	18.6
95.04953	3.3
95.08597	31.7
97.02866	9.4
97.10152	5.0
103.79257	2.5
103.81736	2.1
105.07037	29.7
107.04965	5.3
107.08600	9.8
109.02883	13.7
109.10177	20.3
111.08090	4.2
111.11735	2.0
113.02352	50.6
114.64754	2.1
115.94080	2.4
117.07006	2.5
119.08560	11.8
121.06474	4.8
121.10126	2.8
123.11723	3.5
126.80715	2.1
129.05431	2.9
131.08548	4.9
133.06427	2.6
133.10114	67.5
143.08551	3.9
151.11182	22.7
161.09595	22.8
171.08012	4.1
179.10620	21.7
189.09059	9.9
207.10208	3.9
224.61494	2.1
225.11119	3.3
239.12668	2.5
243.17366	2.2
257.24728	2.6
313.16425	82.1
313.19830	3.8
313.27307	100.0
362.97626	2.5
460.44943	2.5
551.30829	2.5
551.39313	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16288	0.2
53.03939	3.6
55.01854	0.2
55.05498	0.6
57.03423	1.5
57.50854	0.2
61.02898	0.3
67.05487	1.3
69.03415	6.6
69.07049	0.4
71.04971	1.2
73.02904	0.3
77.03903	0.4
79.05473	5.1
79.69095	0.2
81.03400	13.7
81.07024	1.8
83.04962	0.4
85.02889	8.3
85.06532	0.3
91.05457	1.2
92.08704	0.5
93.07026	1.0
95.04946	6.6
95.05516	0.4
95.08595	0.5
97.02867	10.3
97.06479	0.4
99.04442	2.1
103.05450	3.1
105.03373	100.0
105.07018	1.3
106.03700	0.4
107.04904	0.3
107.08563	1.1
108.04430	0.2
109.02867	8.0
109.06524	0.9
111.08105	0.2
119.08527	0.5
121.10111	0.2
123.04408	9.8
127.03884	5.9
129.07013	0.2
131.04900	10.1
131.08537	0.4
133.10110	0.4
137.05951	0.5
145.04932	1.0
145.10100	0.9
147.04451	0.3
147.11693	0.4
163.03871	0.5
163.07478	3.1
167.06996	0.3
169.59515	0.2
179.06975	2.1
231.06532	0.4
249.07524	17.5
267.08575	16.9
473.24026	0.3
479.16553	0.3
586.27448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
54.98406	0.1
55.01855	0.4
55.05497	0.4
57.03423	0.3
57.07053	0.2
58.07593	0.1
61.02906	0.8
65.03909	1.0
67.05459	0.3
69.03414	1.8
69.07043	0.7
71.04951	0.5
71.43484	0.2
72.08118	0.8
73.02877	0.3
74.62725	0.2
78.04680	1.3
79.05051	0.2
79.05471	4.5
81.03397	1.4
81.07029	2.0
85.02885	7.1
85.06514	0.2
86.09212	0.3
86.09692	4.7
91.05455	5.5
93.03374	0.4
93.07021	0.4
94.04180	0.2
95.04942	2.2
97.02860	2.1
97.06477	0.3
99.04394	0.2
102.05520	0.3
105.03366	1.7
105.07021	3.6
106.04143	0.8
107.04935	13.5
107.08601	0.4
109.02856	0.9
109.06514	1.6
109.10134	0.4
110.03652	0.7
111.04429	1.7
111.08037	0.4
115.05414	1.0
117.06985	0.8
119.08524	0.5
121.02820	0.3
121.06441	0.8
121.10081	0.4
122.03625	0.8
123.04405	5.1
123.11658	0.2
124.05193	3.6
125.05960	2.7
127.03893	1.3
127.07550	0.4
128.06187	2.8
129.06972	2.9
130.07677	0.2
131.04881	0.3
131.08566	2.2
132.05658	0.3
132.28502	0.2
133.06467	7.8
133.10103	0.4
134.03673	0.2
135.04314	0.2
135.07965	0.2
135.11671	0.3
137.05949	11.0
137.56436	0.2
139.03883	0.2
139.07538	1.5
141.06970	0.4
142.07733	0.5
142.44543	0.2
143.06026	0.2
143.08537	6.8
144.05637	0.3
145.02751	0.3
145.04964	0.9
145.06471	1.3
145.10092	0.9
146.07233	0.9
147.04349	1.5
147.08012	0.9
147.11629	0.5
149.05922	0.7
149.09612	0.3
151.03879	1.4
151.07497	1.4
152.04697	2.3
152.05910	0.2
153.04303	0.4
153.05447	5.2
155.07010	0.3
157.06483	1.8
159.08028	2.5
160.05177	0.3
160.08760	0.8
161.05933	3.3
161.09589	2.4
162.07585	0.2
163.03809	0.2
167.06998	100.0
168.07800	1.7
169.08626	0.3
170.07365	0.2
171.07983	3.8
173.05943	0.3
173.09538	0.3
174.06679	0.5
175.07471	0.8
175.11121	2.0
177.05431	0.7
177.09019	0.2
178.06120	0.4
180.08740	0.3
181.06491	0.2
181.08484	0.9
183.13744	0.3
187.07552	1.0
188.08278	0.8
189.09084	4.7
191.06978	0.3
191.10547	2.0
192.07751	0.2
193.08545	8.0
195.10170	0.2
201.09103	2.8
201.14818	0.8
203.10632	8.7
203.12531	0.3
204.11205	0.2
205.08598	0.5
206.09305	0.8
207.10083	0.3
209.05998	0.4
215.13875	0.8
219.10103	0.3
220.10896	0.4
221.09561	0.3
221.11676	7.2
223.07526	0.3
231.10150	1.0
233.11720	1.3
235.13222	9.6
239.10715	0.3
243.13240	1.5
265.12222	0.4
269.08072	0.3
277.94812	0.2
283.09406	0.3
288.09851	0.3
293.11765	0.3
297.14822	0.8
325.14151	1.3
342.20126	0.5
357.16910	2.9
381.27487	0.2
384.91794	0.2
389.19485	40.6
390.19760	0.3
407.20554	4.4
442.06424	0.2
585.06519	0.2
586.28693	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.7
53.03934	2.5
54.46627	0.6
54.89348	0.6
55.01869	5.4
55.05499	0.9
57.03420	1.6
61.02903	0.9
65.03920	3.3
67.05502	4.5
69.03411	3.3
69.07070	1.1
71.04968	4.4
73.02880	0.7
75.04465	6.9
77.03915	0.6
78.04681	1.3
79.05476	4.7
81.03381	3.8
81.07043	3.8
83.08610	2.9
84.08118	0.7
85.02892	13.4
85.06522	1.5
89.03896	0.9
89.06004	0.9
91.05470	22.9
93.02830	1.0
93.03389	22.2
93.07026	14.7
95.04944	9.9
95.08570	2.6
97.02867	3.1
97.06503	4.4
97.10169	1.0
99.04427	7.7
103.05461	13.3
105.03369	2.6
105.07019	15.9
106.04162	54.6
107.04925	4.1
107.08601	4.6
109.02847	1.4
109.06519	4.7
109.10155	5.0
111.04426	1.2
111.08076	1.0
115.04003	0.7
115.05443	2.8
117.03350	1.1
117.07040	1.1
118.04156	1.4
119.04926	5.1
119.08567	0.9
121.06488	61.0
121.10083	1.1
122.07223	0.7
123.04420	1.4
123.08052	13.7
123.11649	1.0
124.05188	1.3
125.05968	17.1
125.09547	0.8
127.03880	2.7
131.04948	4.5
131.05882	0.6
133.02820	5.3
133.06465	14.5
133.10139	1.4
134.03618	8.0
135.04388	1.1
135.08032	2.7
135.11694	0.9
137.05959	10.8
137.09604	9.8
138.06757	1.5
139.07532	5.0
143.05969	1.0
145.02831	2.8
147.04399	5.0
148.05190	4.6
149.05963	90.6
151.03729	0.8
151.07507	4.4
151.11122	0.8
152.08278	0.8
153.05478	3.7
153.09088	21.5
153.10312	0.8
161.05952	20.0
163.07524	6.9
165.05493	1.2
165.09113	5.7
166.06216	1.1
167.07010	3.4
177.05440	34.3
179.06984	1.5
181.08575	27.6
182.67924	0.6
183.13744	3.4
189.09053	0.9
191.07013	13.9
191.14311	1.2
193.08569	11.0
209.08064	100.0
209.15321	1.3
217.08495	0.7
227.16353	12.9
245.17447	3.0
277.08234	0.9
307.15350	0.6
309.13220	1.5
327.14273	0.8
339.12177	0.7
368.45065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.03936	2.7
55.01866	5.7
56.89058	0.3
57.03422	0.9
57.10195	0.3
57.85275	0.4
61.02904	0.8
65.03931	3.1
65.04229	0.3
66.55360	0.3
67.05490	0.9
69.03402	1.6
70.01975	0.3
70.38162	0.3
71.04976	0.7
75.04461	7.5
77.03895	0.7
78.04691	4.4
78.92397	0.3
79.05471	4.3
81.03397	1.6
81.07031	0.6
82.02748	0.3
85.02886	11.3
85.06550	0.6
89.03896	1.9
89.05999	2.1
91.05458	24.6
92.08924	2.0
93.03380	20.9
93.07021	12.4
95.04945	9.8
95.08578	0.6
97.02848	1.6
97.06499	5.1
99.04434	3.0
103.05441	12.7
105.03358	0.7
105.04501	1.0
105.07012	11.3
106.04151	56.4
107.04938	4.1
109.02828	0.5
109.06488	2.5
110.03581	0.6
111.04393	0.8
115.05413	2.3
117.03339	2.1
118.04119	1.4
119.04908	5.3
119.08566	0.5
121.06479	65.3
122.03603	0.8
122.07216	0.8
123.04393	2.4
123.08042	2.2
123.11703	0.4
124.05166	1.9
125.05965	16.1
127.03885	0.6
128.88914	0.4
131.04933	5.4
131.05920	0.6
131.85480	0.5
133.02834	9.1
133.06467	8.8
134.03619	7.9
135.04387	1.7
135.08020	0.7
137.05946	13.0
138.06705	4.0
139.07513	6.0
145.02831	2.6
147.04359	4.1
148.05170	6.6
149.05952	93.9
149.19571	0.4
150.06503	0.4
151.03879	1.5
151.07515	4.5
152.08289	1.7
153.05379	3.4
153.09070	22.0
161.04712	0.7
161.05943	11.4
163.03859	1.9
163.07524	6.6
165.05429	3.2
166.06206	3.1
167.07031	3.2
173.05911	0.4
176.04672	0.4
177.05415	39.3
179.06995	2.3
180.07811	0.5
181.08549	32.5
183.13919	0.4
191.06978	14.4
191.08629	0.7
193.08580	8.0
209.08051	100.0
210.08482	0.6
227.16335	3.3
227.21115	0.4
244.00795	0.4
339.12201	1.6
341.13669	1.9
349.06052	0.5
357.13531	0.5
359.14810	0.5
441.98422	0.4
520.84052	0.5
541.79028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.03938	4.2
55.01868	3.4
55.05507	1.0
57.03428	5.9
67.05473	2.8
69.03412	5.1
69.07044	1.9
71.04974	0.6
73.02879	0.5
77.03910	0.8
79.05473	10.6
81.03406	7.2
81.07039	4.6
83.04958	0.5
83.08594	0.7
85.02888	3.4
85.06517	0.9
91.05458	5.7
92.08904	0.5
93.07029	3.6
95.04953	11.4
95.08585	2.7
97.02864	7.0
97.06499	0.8
99.04440	0.9
99.08073	0.5
103.05456	8.9
105.03374	100.0
105.04519	3.1
105.07012	14.3
106.03596	0.5
106.04224	0.5
107.04937	53.9
107.08591	3.1
109.02860	1.8
109.06509	1.8
109.10125	0.7
115.03916	2.4
115.05426	4.5
117.06995	1.6
118.04099	0.6
119.04956	0.6
119.08565	2.1
120.05675	3.1
121.06458	3.2
121.10099	1.8
123.04416	12.3
123.11690	1.0
124.05166	0.8
125.02351	0.9
125.05943	1.7
127.03866	0.9
131.04890	4.6
131.08560	0.8
132.05644	0.6
133.06471	9.3
133.10103	0.6
135.04395	0.5
135.08028	20.3
137.05969	4.6
137.09625	0.5
141.25206	0.5
143.06030	0.6
145.02831	0.7
145.07565	1.8
145.10109	1.1
146.03604	2.4
147.04398	2.7
147.11674	3.2
148.05156	0.9
149.05965	4.6
149.09502	0.5
151.03964	0.7
151.07494	0.6
152.04628	0.9
153.05424	0.8
154.06258	1.9
157.10069	0.5
161.05957	9.6
163.03885	1.7
163.07506	44.6
165.05441	2.0
165.09058	0.7
165.12746	0.5
166.06253	2.8
167.06999	59.0
175.11093	0.5
177.05437	2.1
178.06219	13.3
179.06999	29.9
180.07776	18.1
181.04950	0.7
181.08568	5.2
191.07063	1.8
192.07718	0.5
193.08571	8.7
193.12238	0.7
195.10129	37.1
211.09666	2.4
213.11185	14.4
219.10229	0.8
227.19992	1.7
229.14418	0.5
237.07552	3.4
265.07199	0.5
287.14749	0.9
291.12125	0.5
299.12503	0.5
317.13763	0.6
325.16525	0.8
359.14993	2.0
371.17014	1.7
450.05783	0.5
459.16534	1.0
462.27957	0.5
477.17322	3.0
515.21021	1.0
533.20123	6.4
535.94250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40711	0.1
53.03938	0.3
55.01866	0.2
55.05489	0.2
57.03427	0.8
61.02914	1.0
61.03162	0.1
65.03930	1.0
67.05450	0.1
69.03419	2.3
69.07029	0.1
70.06555	0.1
70.55561	0.1
71.04984	0.5
73.02899	0.2
79.05471	0.6
81.03387	1.2
81.07039	0.7
82.03765	0.1
83.04968	0.1
85.02890	8.7
85.06548	0.1
85.09545	0.1
87.04460	0.1
89.90984	0.1
91.05462	100.0
92.05795	0.6
92.09157	0.5
93.07024	0.2
95.04948	0.3
95.08629	0.1
97.02866	2.4
99.04418	0.5
99.08086	0.4
103.05426	0.1
105.03390	3.2
105.07009	0.6
106.03704	0.5
107.04939	0.9
107.08604	0.2
109.02847	1.0
109.06570	0.1
109.10149	0.2
113.05955	0.1
115.03922	0.2
117.06923	0.1
119.08564	0.3
121.06491	0.1
121.10139	0.1
123.04388	0.2
123.11700	0.1
124.10049	0.1
127.03888	1.9
131.08514	0.1
133.06424	0.2
133.10048	0.1
135.08064	0.1
137.02350	0.7
137.05952	0.5
145.02901	0.2
145.04932	2.2
147.04424	0.2
147.11678	0.6
149.02261	0.1
149.05945	0.2
161.06032	0.1
163.05981	0.8
163.07527	0.6
167.03384	0.6
167.06998	2.2
177.05463	0.1
179.07103	0.2
184.07396	0.1
195.10095	0.5
209.07919	0.1
235.13350	0.1
245.08025	3.6
268.09064	0.1
327.12039	0.1
343.66541	0.1
359.14780	0.5
441.77383	0.1
515.21222	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	586.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01861	0.9
55.05501	0.5
57.03425	4.2
57.03691	0.2
59.04980	0.1
60.14956	0.1
61.02914	5.2
65.03916	0.9
65.14403	0.1
66.63956	0.1
67.05486	0.7
69.03413	8.4
69.07057	0.4
71.04977	1.2
73.02902	2.0
75.62280	0.1
79.05469	0.4
81.03394	3.9
81.03870	0.2
81.07042	1.2
83.01323	0.5
83.04962	0.2
83.08597	0.2
85.02887	43.2
85.06493	0.1
86.03214	0.1
87.04443	1.1
91.03955	1.9
91.05457	100.0
92.05781	0.8
92.08995	0.7
93.07010	0.8
95.04939	0.4
95.08582	1.1
97.02865	11.7
99.04430	2.3
101.02364	0.5
103.03912	0.2
105.03356	1.5
105.07017	0.5
107.04916	0.4
107.08583	0.2
109.02863	4.1
109.06474	0.1
109.10130	0.6
115.03886	0.5
117.05460	4.3
119.08553	0.4
121.02814	0.2
121.10085	0.5
123.04404	0.1
123.11669	0.2
127.03887	9.4
129.05418	0.1
131.08589	0.1
133.10098	0.1
135.08012	0.2
135.11642	0.2
137.02324	0.9
137.05972	0.1
144.76472	0.1
145.04938	11.8
145.10086	0.4
147.04448	0.1
147.11676	0.1
163.05981	4.1
163.07404	0.2
165.09070	0.1
167.03375	0.7
167.07088	0.1
177.05376	0.2
183.72578	0.1
195.10083	0.7
221.11493	0.4
223.32825	0.1
245.08049	4.9
269.10098	0.1
325.11261	0.2
353.26682	0.2
371.27936	0.9
387.16006	0.2
389.29077	0.7
585.28351	0.6
586.28705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
53.13503	0.1
55.01858	1.7
57.03428	4.7
59.81433	0.1
61.02915	7.6
65.03914	1.3
69.03416	15.1
70.07526	0.2
71.01318	0.2
71.04982	1.7
73.02902	3.0
81.03395	6.2
81.07037	0.2
83.01338	0.3
83.04958	0.2
84.10070	0.1
84.11391	0.1
85.02889	73.7
86.03233	0.2
87.04455	1.9
91.03952	3.3
91.05461	100.0
92.05802	0.6
92.08884	0.3
96.10265	0.2
97.02869	20.2
99.04430	3.4
101.02370	0.4
103.03915	0.9
105.07040	0.6
109.02868	6.0
115.03902	0.7
127.03893	12.5
137.02335	0.7
145.04942	16.1
149.02324	1.0
163.05995	5.0
167.03372	2.3
179.03288	0.3
203.03419	0.4
203.98767	0.2
221.04387	0.2
221.43791	0.2
233.04460	0.6
239.06870	0.3
245.04329	0.6
245.08012	5.6
251.06926	0.3
257.07941	0.4
263.05261	0.3
269.08005	2.3
281.06647	0.3
287.08978	0.2
293.07956	1.0
299.07462	0.2
311.09097	1.6
323.09265	1.1
335.09021	0.8
339.18607	0.2
353.10049	1.6
371.11197	1.2
389.12219	2.1
400.80432	0.2
507.00839	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65518	0.1
53.03929	0.4
53.62331	0.1
55.01858	0.5
57.03427	1.1
61.02917	1.2
65.03925	1.1
69.03415	3.8
71.04976	0.4
73.02903	0.7
74.51791	0.1
76.60309	0.1
81.03400	1.4
83.04999	0.1
85.02887	13.7
87.04456	0.5
91.05459	100.0
92.05799	0.6
92.09138	0.6
93.07025	0.1
95.08598	0.1
97.02866	8.7
99.04428	0.7
101.02364	0.1
103.03911	0.1
103.05437	0.1
105.03359	0.1
105.07000	0.1
106.53079	0.1
109.02853	1.5
115.03904	0.8
117.03345	0.1
117.07018	0.7
119.00813	0.1
121.02843	0.1
127.03883	2.5
128.06178	0.2
129.06972	0.4
133.06458	0.2
133.10057	0.1
137.02332	0.6
143.08528	0.4
145.02870	0.9
145.04933	2.8
145.06456	0.4
149.05913	0.2
153.06987	0.2
155.03468	0.1
157.06503	0.5
161.04474	0.3
163.05971	0.9
167.03345	1.4
171.07999	0.2
175.07536	0.1
177.05437	1.6
217.08589	0.4
227.06985	0.9
235.09569	0.1
245.08058	3.8
585.28931	0.5
586.28656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.7
54.43126	1.9
54.81958	2.1
55.05499	17.0
57.03425	4.4
57.07058	3.0
61.02920	4.9
64.33850	1.9
67.05496	30.5
69.03424	18.9
69.07059	29.1
79.05481	19.0
79.40218	1.8
81.03395	8.7
81.07038	55.8
83.08598	3.9
83.58610	1.9
83.70002	2.0
85.02892	45.9
91.05447	22.2
91.70319	2.0
92.08991	14.8
93.07027	38.5
95.04956	4.4
95.08591	61.1
96.71387	2.2
97.02850	15.1
105.07008	50.3
107.08586	55.8
109.02893	2.7
109.10145	49.3
117.06998	2.5
119.08561	100.0
121.10120	31.8
123.11682	12.8
127.03912	4.2
129.06960	2.8
131.08551	19.0
133.10109	57.4
135.11676	19.8
137.13287	9.3
143.08566	8.3
145.10098	44.9
147.11667	46.8
149.13261	12.8
155.08438	2.3
156.09346	2.3
157.10110	9.5
159.11678	29.2
161.13271	22.4
163.14838	4.8
169.10033	9.6
171.11670	11.6
173.13199	18.6
175.14842	12.4
183.11662	3.5
184.12413	2.7
185.13193	10.6
187.14778	26.0
189.16344	82.3
197.13350	4.0
199.14787	15.2
201.16379	31.2
203.17950	10.7
207.17395	4.5
211.14862	4.5
213.16277	8.9
215.17937	11.2
217.19565	3.5
223.53096	2.6
225.16397	4.6
227.17928	4.3
239.17963	3.3
253.19470	3.6
269.22678	3.7
279.20981	2.2
323.27188	10.7
405.34961	31.6
423.35757	2.3
438.15103	2.1
515.33148	2.2
585.41656	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	585.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.05497	18.5
56.10059	3.9
57.03432	5.6
61.02925	5.1
67.05482	30.6
69.03409	18.1
69.07037	31.5
79.05469	25.5
81.03367	6.0
81.07032	57.1
83.08610	6.7
84.27105	4.7
85.02886	38.7
91.05453	18.9
92.08970	6.6
93.07022	29.0
95.08588	64.8
97.02893	6.1
105.07001	56.1
107.08563	43.8
109.10152	46.7
110.85298	5.3
119.08562	100.0
120.64211	4.1
121.10114	32.3
123.11668	5.1
127.03878	4.6
131.06511	4.4
131.08562	11.2
133.10110	36.9
135.11635	24.4
137.13309	5.0
143.08490	17.6
145.10101	37.8
147.11661	45.6
157.10088	7.7
159.11644	37.8
161.13216	18.0
163.14896	4.3
171.11632	17.8
173.13213	10.6
187.14809	25.1
189.16367	82.7
192.48257	4.8
197.13261	6.8
199.14816	23.2
201.16348	29.5
203.17838	6.7
207.17531	5.7
215.17902	5.6
217.19528	5.7
227.17947	6.4
366.96091	5.4
405.35120	45.8
423.55637	4.9
585.40619	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	585.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
53.17846	1.2
54.91841	1.1
55.01861	1.7
55.05501	14.4
57.03411	5.3
57.07040	1.8
59.98715	1.2
61.02905	8.5
63.83755	1.1
67.05493	37.4
69.03414	28.4
69.07059	27.6
71.04977	2.6
72.39084	1.1
73.02898	1.9
79.05476	15.1
81.03397	9.6
81.07037	56.5
82.37256	1.4
83.08603	7.5
85.02892	56.4
87.04439	5.7
91.05465	17.7
92.09254	3.1
93.07021	33.7
95.04977	2.2
95.08584	70.8
97.02872	16.6
97.10131	2.3
99.04443	1.8
100.27884	1.3
105.07014	49.4
106.75185	1.5
107.08575	48.2
109.02859	5.9
109.10143	57.9
117.06978	5.5
119.08561	100.0
121.10129	29.5
123.11681	14.0
127.03906	8.4
129.06979	1.5
130.07788	1.8
131.08543	15.9
133.10100	51.6
135.11678	15.8
137.13225	8.6
141.06990	2.1
142.07703	3.3
143.08501	10.8
145.04915	3.0
145.10100	38.8
147.11667	41.1
149.13234	10.1
155.08546	2.8
156.09334	3.2
157.10114	18.1
158.10895	1.8
159.11685	27.2
160.12404	1.7
161.13228	24.1
163.13536	1.7
163.14819	6.8
169.10115	7.5
170.10863	2.3
171.11650	18.2
172.12369	1.6
173.13196	18.9
175.14763	10.8
177.16379	3.1
183.11668	10.8
184.12482	2.6
185.13152	12.4
187.14821	25.8
189.16351	70.0
191.17892	2.8
195.11670	2.8
197.13263	9.0
198.14012	1.5
199.14761	18.6
199.67027	1.8
200.15500	1.5
201.16368	31.0
203.17886	9.8
207.17451	7.3
209.13274	3.0
211.14804	5.9
213.16327	9.2
215.17921	10.0
217.19504	3.0
219.17186	1.9
224.15446	1.9
225.16350	8.5
227.17824	6.3
229.19484	2.0
237.16278	2.4
239.17892	14.7
241.19443	6.5
243.20932	2.2
253.19530	7.3
255.20990	6.0
267.20944	3.5
281.22433	2.3
295.24146	1.9
297.25601	1.9
323.27304	12.0
341.28430	2.4
405.35101	45.7
423.36295	11.0
517.62329	1.8
585.31763	10.6
585.41101	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.6
53.03928	1.1
55.01864	1.0
55.05497	5.0
57.03421	2.2
57.06812	0.6
57.07065	10.4
58.31931	0.5
61.02905	3.3
67.05491	11.9
69.03077	0.5
69.03419	9.8
69.07056	9.5
70.06248	0.6
70.06583	9.7
71.06895	0.6
71.08618	4.4
73.02895	1.0
75.19424	0.5
79.05474	7.5
81.03400	4.9
81.07041	24.5
83.04984	0.6
83.08598	3.0
85.02889	19.8
85.10138	0.8
87.04439	1.0
88.07113	0.9
88.07616	18.0
88.66519	0.5
91.03928	0.7
91.05460	6.7
92.08659	1.6
92.09291	2.2
93.07026	13.4
95.08582	28.5
97.02872	7.6
97.10176	0.7
99.04421	0.7
102.09156	5.1
105.03362	2.0
105.07016	19.1
106.08654	10.2
106.52856	0.5
107.08570	19.1
109.02864	2.2
109.06502	1.1
109.10139	19.9
117.06968	2.5
119.08557	44.9
121.10114	13.3
123.11687	5.0
126.67814	0.5
127.03915	1.2
129.06976	0.9
130.07758	0.9
131.08543	6.3
133.10107	17.5
135.11670	7.5
137.13228	2.7
142.07750	1.1
143.08537	3.5
144.09383	0.7
145.04951	1.9
145.10100	16.9
147.10580	1.0
147.11674	16.9
149.13170	4.0
155.08514	0.9
156.09286	1.0
157.10081	6.3
159.11656	13.9
161.13208	9.7
163.14772	2.4
166.46741	0.5
169.10120	2.1
171.11682	6.0
172.12445	0.9
173.13229	7.6
175.14784	5.2
177.16397	0.6
183.11678	2.8
184.12424	1.0
185.13249	4.5
186.13940	0.7
187.14784	12.3
189.16351	29.4
197.13200	2.8
199.14780	7.5
201.16338	13.4
203.17979	4.4
207.17407	3.0
209.13196	0.5
211.14754	2.2
213.16373	3.3
215.17928	4.3
217.19475	3.0
219.17401	0.8
224.15562	0.6
225.16313	2.7
227.17868	2.4
229.19492	0.8
233.48085	0.6
237.16261	0.9
239.17931	3.5
241.19453	0.9
253.19386	2.8
255.21025	2.1
256.26294	6.1
257.18964	0.7
257.26639	0.9
267.20999	2.0
274.27344	100.0
275.27686	21.0
276.28009	4.2
279.20947	0.6
281.22705	1.0
286.40637	0.5
297.25516	0.6
323.27222	6.9
363.30191	0.7
405.35052	14.1
423.36115	3.9
425.60748	0.6
585.32111	0.7
585.41431	9.2
593.45593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60105	0.5
55.05500	1.5
64.68279	0.5
67.05493	6.4
68.87375	0.5
69.07040	0.9
79.05473	4.1
81.07048	8.2
82.22225	0.6
83.08593	0.7
89.06016	3.0
91.05465	3.1
92.02406	0.7
92.09002	5.1
93.07017	3.9
95.04926	0.8
95.08582	6.1
105.07039	3.0
106.24831	0.6
107.08589	2.3
109.10166	1.4
119.08569	4.0
121.10158	1.6
131.08566	1.4
135.11647	1.1
138.38777	0.6
145.10139	2.7
147.11700	0.9
157.10165	0.8
251.08331	0.7
251.12532	8.6
270.06311	0.6
293.24832	0.6
295.99567	0.7
328.27435	0.7
335.25745	1.3
371.22742	0.7
509.50934	0.7
541.38055	1.1
545.00977	0.7
585.37549	100.0
586.38428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
57.10864	0.6
61.67336	0.7
64.33584	0.9
67.05494	5.9
69.07064	1.4
79.05489	3.7
81.07047	5.4
81.54772	0.6
89.06027	4.9
91.05489	3.5
92.08730	2.6
92.09314	1.7
93.07036	6.3
95.08598	6.3
105.07037	3.8
107.08577	3.3
115.20215	0.7
119.08564	3.4
121.10154	1.6
122.10378	0.8
129.06972	0.8
131.08604	1.2
133.08553	1.3
133.10139	0.9
143.08463	0.9
145.10139	3.0
147.11690	1.5
158.10646	0.7
183.11742	1.0
236.36745	0.9
251.12491	6.6
335.25787	1.3
363.97003	0.8
411.62189	0.8
454.35800	0.8
585.37537	100.0
586.37695	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82352	0.8
55.05501	2.0
56.80437	0.8
57.07069	1.0
57.83443	0.8
58.34201	0.9
67.05492	6.5
69.07037	1.6
70.58128	0.9
78.75118	0.9
79.05469	4.7
81.07034	7.7
83.08611	1.1
91.05457	4.8
92.08997	10.9
93.06991	7.8
95.04957	1.2
95.08595	7.7
102.58623	1.0
105.06978	7.9
107.08550	3.9
109.10148	1.8
117.93391	1.0
119.08580	6.0
121.10155	1.8
131.08568	4.5
133.10109	4.2
135.11685	1.1
143.08536	2.0
145.10132	4.2
146.10487	1.1
147.11652	1.4
157.10135	1.3
159.11713	1.7
161.13206	1.0
169.10127	1.4
171.11678	1.2
184.00352	1.1
197.13239	1.6
201.02475	1.2
251.12456	4.1
307.15149	1.6
335.26022	1.1
347.80917	1.2
585.37543	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	585.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67889	0.5
55.05495	2.4
57.03429	0.8
57.07058	0.8
67.05502	7.6
67.51729	0.5
69.07058	1.4
70.86063	0.5
71.08624	0.6
75.81421	0.6
79.05470	4.5
81.07050	6.6
83.08621	0.6
90.79050	0.6
91.05460	3.6
92.09026	3.3
93.07027	7.4
95.04956	0.7
95.08601	6.0
105.07012	4.1
107.08578	3.1
108.08891	0.5
109.06465	0.7
109.10143	3.3
113.65343	0.6
116.71579	0.5
117.07037	0.7
119.08555	6.4
121.10107	2.8
129.06943	0.7
131.08545	0.9
133.10107	1.4
135.11716	0.7
145.10126	3.0
147.11662	0.8
157.10081	2.4
159.11658	2.0
169.10159	1.1
171.11716	0.7
173.13255	0.6
195.11769	0.6
200.64438	0.6
251.12512	4.4
307.15186	1.1
335.25708	1.0
403.51529	0.6
585.37512	100.0
586.37396	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81375	2.1
55.05518	2.0
67.05482	8.5
69.07060	3.4
71.65243	1.6
79.05508	2.6
81.07038	9.1
83.08601	1.9
88.05381	1.6
89.06028	8.7
91.05468	7.1
93.07024	3.2
95.04929	2.1
95.08599	7.3
95.54283	2.0
105.07009	3.1
119.08572	7.0
121.10101	3.0
121.67825	1.6
127.61697	1.7
140.73170	1.7
142.68994	1.5
145.10175	3.7
147.11632	2.0
154.88310	2.0
155.50203	1.8
159.11787	2.1
159.72784	1.8
193.48579	1.7
223.90497	1.9
230.91142	2.0
248.37964	2.1
251.12575	2.7
307.14978	2.5
371.22891	2.8
425.29678	2.2
521.01123	1.8
585.37500	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	585.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
53.60491	0.3
55.05504	0.9
59.54478	0.4
67.05498	1.6
68.50024	0.4
69.03407	1.7
69.07057	2.2
71.04984	0.6
79.05481	1.9
81.03408	1.5
81.07027	3.4
83.04948	0.6
83.08609	0.4
85.02908	3.3
85.06535	4.0
86.06859	0.8
91.05470	1.0
93.07053	2.7
95.04950	1.5
95.08580	3.7
97.02863	1.8
97.06532	0.6
104.79578	0.4
105.03377	4.7
105.07035	1.7
106.24095	0.4
107.04964	0.7
107.08598	2.6
109.02908	0.6
109.06504	0.5
109.10158	1.9
111.04430	0.4
115.50726	0.5
119.08604	2.2
121.10128	1.8
123.04372	0.6
123.11704	0.8
127.03923	0.5
131.08571	0.8
133.10118	0.7
135.11723	0.8
140.55383	0.4
145.02971	0.5
145.10141	0.8
149.13214	0.5
159.11670	0.5
163.03896	0.7
163.07553	0.5
167.03448	0.9
167.07040	2.6
168.07431	0.5
175.93777	0.4
181.04980	0.5
184.07372	1.7
199.14668	0.5
241.21634	0.5
242.21910	0.7
245.06059	0.5
251.12776	0.8
305.08374	3.5
347.09305	0.6
365.10468	32.2
423.23538	2.8
585.28735	100.0
586.29303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.01865	4.0
55.05498	4.5
57.03423	1.4
57.07062	0.9
60.14425	1.0
61.02912	1.0
65.03932	12.8
67.05487	6.3
69.03413	8.9
69.07047	5.5
78.22292	0.9
79.05472	9.5
81.03387	7.9
81.07043	11.1
82.04163	1.1
83.04953	2.3
83.08603	1.2
85.02892	13.3
85.06523	3.7
86.03217	1.0
86.09657	1.1
91.05459	8.1
92.09175	5.3
93.03374	2.3
93.07030	10.9
95.04945	9.4
95.08576	9.2
97.02848	7.1
97.06506	4.7
97.10151	1.1
98.03172	1.0
99.04422	1.9
99.08089	1.0
103.05415	3.5
105.03372	21.2
105.07027	8.7
106.03687	2.1
107.04942	10.9
107.08571	10.5
108.02116	1.0
108.08901	1.3
109.02840	5.2
109.06490	2.0
109.10129	6.1
110.03650	13.7
111.04436	18.3
115.05442	0.9
117.03435	1.0
117.07000	2.1
119.04885	1.7
119.08559	5.7
121.02835	16.5
121.06474	2.2
121.10114	7.1
123.04386	5.0
123.08031	1.6
124.07669	3.0
125.05975	16.3
127.03915	4.5
129.06987	1.9
131.04906	2.1
131.08533	4.2
133.10118	7.3
134.99626	1.1
135.04399	1.8
135.08061	4.6
135.11696	2.2
136.07571	15.8
137.05965	4.6
137.07904	2.1
138.03064	1.2
138.09084	10.2
139.09375	1.2
143.08530	1.8
145.02821	4.4
145.06432	2.1
145.10132	5.0
147.04422	5.8
147.08028	1.8
147.11653	1.3
149.02287	3.4
149.05978	1.8
149.09586	1.1
151.03899	26.9
151.05020	3.1
151.07513	5.1
152.07074	3.7
153.05432	22.9
155.08530	1.4
157.06514	1.3
157.10034	1.5
159.07986	5.0
159.11679	2.0
161.05948	5.8
161.09604	4.6
161.13103	1.0
163.03920	1.2
163.07494	1.6
163.11143	1.0
164.07013	25.4
165.05692	1.0
165.07269	5.7
167.06969	14.3
167.08321	1.4
168.07404	1.6
173.09583	1.8
173.13239	1.3
175.07451	1.9
175.11113	0.9
177.05476	7.9
177.06750	1.2
178.05850	1.1
178.07808	1.2
179.08478	1.0
181.04910	5.0
181.06403	1.4
181.08531	1.6
185.09717	1.0
189.09042	4.2
189.12840	1.4
193.06348	1.1
193.08420	1.1
194.07306	1.4
195.08037	4.8
195.10080	2.0
196.08807	1.0
197.05948	1.4
199.07477	1.0
201.09100	1.8
207.08092	1.6
210.06773	1.7
211.07549	4.3
212.08240	1.2
213.09019	1.7
219.10135	2.4
221.09534	3.8
222.06793	1.2
222.10419	1.4
223.07503	4.7
224.08252	1.2
225.05376	1.6
225.09026	7.2
227.06989	1.8
234.06746	1.3
235.07526	1.8
237.09030	2.1
238.06241	2.2
238.09895	3.7
239.06938	5.1
239.10674	3.8
240.07753	11.8
241.08420	0.9
249.09109	1.1
251.06989	2.0
251.12741	3.4
252.07765	2.3
253.08545	23.0
253.12119	7.6
254.09186	1.2
255.06479	5.9
255.10022	5.1
257.07980	4.7
265.08600	1.9
266.09253	5.0
267.10150	4.3
268.07251	3.8
269.08130	3.2
270.08774	4.4
277.08716	1.2
280.10785	1.3
281.08148	4.6
281.11722	8.6
282.08942	1.2
283.09451	12.6
284.10339	3.8
285.11151	5.0
285.14600	1.6
289.15353	2.0
294.08926	1.4
295.09561	6.0
297.11133	1.1
298.08356	1.3
298.11893	3.8
299.09540	1.2
299.12738	7.9
303.05194	6.5
309.11188	12.0
313.10626	15.2
313.14111	3.2
316.13034	1.4
321.37769	1.0
327.12192	31.9
328.12930	1.7
331.15338	4.6
341.13632	6.1
357.13168	1.4
359.14822	100.0
360.15314	1.2
371.14819	4.8
372.15384	1.3
422.28589	2.0
423.29184	1.1
584.34058	3.2
585.27948	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	584.422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02332	3.4
52.22744	3.4
53.03949	4.9
55.05501	25.6
57.07063	18.5
59.04975	4.8
62.35247	4.0
64.07653	4.3
67.05486	24.9
69.07043	21.0
69.55617	4.2
79.05482	28.0
81.07034	36.5
83.08607	5.3
89.06007	30.1
91.05470	36.0
91.05928	3.9
92.08733	15.5
92.09315	9.6
93.07018	61.6
95.08586	44.4
103.11166	3.9
105.07013	67.6
107.08559	39.6
109.06491	8.1
109.10159	17.9
117.07008	23.9
119.08555	98.5
121.06482	8.0
121.10112	30.2
123.08038	16.9
125.05926	4.3
128.73376	4.3
129.06960	18.6
131.08540	48.1
133.08545	6.6
133.10060	37.0
135.08061	8.5
135.11681	9.8
137.09586	10.1
141.06876	6.0
142.07765	19.0
143.08545	39.2
144.09274	10.0
145.10097	59.0
147.08008	10.0
147.11665	7.6
151.07501	5.0
155.08551	17.4
156.09380	17.4
157.10120	55.0
159.11682	37.1
161.09590	5.8
161.13196	6.0
163.11110	5.8
165.09091	29.2
169.10086	23.0
170.10753	4.3
171.11652	26.2
173.13232	23.5
175.11127	9.4
175.14867	5.5
181.10039	9.8
183.11748	22.0
185.13231	19.6
187.14844	8.6
193.10226	4.7
193.12164	7.1
194.10779	5.6
195.11693	18.1
196.12424	7.3
197.13254	6.2
198.14127	5.3
209.13245	10.2
211.14838	8.6
221.13385	5.7
221.15295	33.3
223.14734	6.4
225.16379	6.8
233.13135	5.2
247.16824	6.6
352.23917	52.3
365.24692	6.0
371.22769	9.5
412.29459	5.3
438.31229	7.9
491.34766	10.4
504.35822	100.0
584.41925	9.8
584.55707	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	584.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	11.9
56.97446	2.0
57.07067	16.5
60.25163	1.9
64.33921	1.9
65.03941	2.5
67.05495	17.6
69.03410	4.1
69.07049	16.9
70.91738	2.0
79.05477	26.2
81.07043	31.1
81.62294	1.9
82.56046	1.8
83.04964	4.0
83.08592	3.7
85.06541	4.8
89.06006	14.2
91.05469	45.1
92.06200	2.4
92.08907	13.8
93.07023	60.2
95.04945	14.1
95.08589	27.4
97.06521	2.1
103.05441	2.1
105.07014	77.3
106.07797	3.2
107.08588	43.4
109.06459	12.2
109.10144	18.9
115.05479	2.8
117.07000	20.1
119.07716	4.0
119.08566	97.8
120.09310	5.3
121.06464	4.0
121.10122	30.6
123.08051	13.5
123.11676	2.5
125.05922	2.2
128.06198	10.0
129.06996	20.9
130.07764	8.3
130.56107	2.1
131.08539	49.7
132.09302	2.9
133.06403	2.0
133.08572	3.9
133.10101	39.0
135.08011	13.8
135.11649	9.0
137.09607	12.2
138.29352	2.2
139.07394	2.3
141.06938	5.0
142.07788	22.4
143.08548	48.0
144.09322	13.5
145.10094	63.1
146.10857	2.3
147.08057	26.0
147.11714	15.1
149.09634	11.3
151.07515	9.3
151.11055	2.4
155.08508	19.6
156.09323	14.5
157.10114	65.7
158.10893	9.2
159.08073	3.0
159.11676	29.9
161.09576	4.2
161.13190	4.9
163.11171	9.3
165.09065	28.6
166.67744	2.2
167.08534	8.2
168.09309	4.9
169.10092	24.6
170.10849	11.1
171.11656	32.1
172.12379	9.0
173.09567	3.0
173.13199	24.1
175.11122	15.1
175.14806	8.5
177.12683	2.7
179.08536	3.9
181.10118	14.6
182.10802	8.4
183.11665	22.7
185.09666	2.8
185.13194	19.0
187.11209	2.4
187.14780	4.7
189.12679	8.5
193.10138	11.5
193.12259	4.6
194.10843	7.8
195.11653	16.1
196.12436	9.0
197.13237	20.5
198.14098	2.2
199.11102	4.0
199.14766	5.2
201.12695	3.3
203.14325	5.2
205.12224	3.2
206.10913	2.6
207.11642	8.5
207.13814	4.1
209.13188	18.1
211.14786	5.0
217.15730	2.8
220.12502	2.6
221.13364	5.2
221.15341	38.1
223.14825	13.5
225.16353	5.4
233.13272	4.2
234.16058	5.3
235.14790	9.8
237.12724	4.0
237.16190	3.2
255.47337	2.5
263.17886	3.0
271.16852	3.2
281.18768	2.2
297.22141	2.1
299.20004	9.5
325.21576	3.7
337.21591	3.8
352.23926	52.0
365.24670	4.9
371.22751	3.9
383.26129	2.3
404.30545	3.8
412.29553	9.4
438.31042	16.0
489.33408	3.7
491.34924	10.9
504.35922	100.0
584.40918	9.9
584.55756	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	584.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	18.6
57.07060	7.8
67.05490	21.9
69.07051	11.4
71.08583	4.6
71.14209	4.0
79.05476	31.7
81.07029	42.7
83.08597	6.9
83.88531	4.3
85.10146	4.9
89.06015	6.3
91.05463	49.4
93.07025	74.6
95.04934	29.8
95.08584	37.8
97.06489	8.8
105.07024	100.0
107.08560	41.4
108.04211	4.5
109.06541	5.1
109.10160	10.2
115.05481	6.5
117.06997	30.0
119.08566	84.6
121.10107	37.6
123.08027	11.2
128.06195	10.3
129.06989	25.7
130.07805	5.1
131.08519	63.9
133.10072	44.0
135.08015	8.8
135.11652	8.3
141.06964	10.6
142.07765	19.8
143.08540	60.7
145.10120	67.8
147.11676	18.8
153.07059	6.8
155.08527	24.0
156.09343	8.8
157.10130	51.0
159.11688	25.0
160.11304	5.7
165.06973	6.8
167.08556	7.0
168.09334	7.8
169.10071	32.1
170.10896	7.5
170.44867	4.2
171.11633	20.6
173.13222	18.3
179.08540	7.1
180.09335	8.2
181.10112	23.7
182.10767	5.5
183.11615	17.1
185.13205	4.4
189.12782	4.9
193.10097	10.7
194.10884	7.3
195.11717	19.9
197.13277	10.7
198.77611	4.8
207.11670	9.1
208.12370	6.0
209.13243	6.0
221.13324	5.8
221.15359	5.3
223.14783	5.6
225.16618	5.5
235.14746	6.8
292.98087	4.6
336.24054	4.9
584.42426	18.4
584.55890	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	584.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.6
53.52313	3.5
55.05496	19.4
57.07050	16.5
65.03916	3.7
67.05497	33.4
69.03400	4.0
69.07031	17.2
79.05473	36.8
81.07034	46.1
83.08633	5.2
91.05459	68.8
92.08755	18.9
92.09371	7.0
93.07009	72.1
95.04940	63.0
95.08577	35.4
105.06364	5.0
105.07011	100.0
107.08564	47.2
109.06505	8.0
109.10128	22.7
115.05392	4.8
117.06995	30.5
119.08559	91.8
121.06454	3.4
121.10153	32.4
123.08007	18.9
123.11684	4.7
125.09655	3.5
128.06177	18.9
129.06975	30.0
130.07681	5.9
131.08521	70.8
133.06476	4.8
133.10107	50.4
135.08022	7.9
135.11685	4.9
136.75018	3.8
141.06956	6.0
142.07742	18.3
143.08539	58.4
144.09315	7.7
145.10095	72.6
147.11633	21.5
153.07010	3.5
154.07707	3.2
155.08543	34.3
156.09283	17.5
157.10103	46.1
158.10652	3.5
159.11653	41.5
161.09590	6.7
161.13283	7.3
165.06883	7.3
167.08527	14.0
168.09212	5.3
169.10074	29.8
170.10901	8.2
171.11690	24.5
173.13255	26.0
174.72467	3.8
175.14799	12.9
177.12732	5.1
179.08495	20.6
180.09299	5.1
181.10147	25.2
183.11743	24.9
185.13211	13.9
187.14804	4.5
189.12611	5.1
192.09186	6.0
193.10068	16.9
194.10887	6.4
195.11665	21.0
197.13239	15.8
199.14857	14.0
204.09138	3.8
205.81567	3.7
207.11627	14.9
209.13214	24.2
211.11038	4.0
211.14880	5.6
216.84700	3.8
219.11603	5.2
220.12360	5.7
221.13135	5.9
223.14847	6.2
233.13084	4.9
235.14789	6.0
237.16403	4.0
311.29303	4.0
321.22333	4.0
354.25467	8.5
446.31854	4.0
448.68726	3.5
492.36032	5.8
517.95715	3.8
584.42340	37.7
584.55774	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	584.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.2
53.65914	1.9
55.01862	2.9
55.05497	4.4
57.03404	2.5
57.07058	3.3
61.02908	2.7
67.05481	4.0
69.03426	18.5
69.07048	8.8
70.06576	35.8
76.51347	2.1
79.05464	10.8
79.24277	1.9
81.03398	24.2
81.07028	18.9
83.04959	8.5
83.06078	10.7
83.08619	2.2
85.02890	35.4
85.06494	3.2
91.05465	22.6
92.08835	10.2
93.04510	5.3
93.07013	18.6
95.04940	62.9
95.06023	2.7
95.08574	22.2
97.02890	20.7
97.06478	8.4
99.04420	2.7
105.07010	37.0
107.04945	3.9
107.08577	26.4
109.02862	3.4
109.06484	8.4
109.10130	8.7
110.06420	4.1
110.07148	100.0
111.08089	4.6
112.08720	10.5
113.05997	3.0
113.09621	2.2
115.03869	2.6
115.08627	3.5
117.07007	11.0
119.04881	2.0
119.08537	35.2
121.02807	2.6
121.06493	9.8
121.10139	29.7
123.08044	9.3
123.11640	4.0
125.05959	2.7
127.03844	8.5
130.79343	2.1
131.08537	59.0
133.06424	3.7
133.10081	21.3
135.08040	4.0
135.11650	3.5
137.05959	4.0
137.09590	2.8
139.11150	2.7
143.08513	5.2
145.10097	11.8
147.04297	2.5
147.10579	4.1
147.11659	53.8
149.09612	20.5
151.07513	18.8
156.07660	3.0
156.09290	14.6
159.11688	20.1
161.13187	14.4
165.12732	10.9
169.08577	10.2
171.10353	2.9
171.11621	22.9
177.00031	3.0
177.12686	9.2
189.12692	30.7
195.13768	3.4
207.13783	49.5
212.98369	2.3
225.14806	42.4
243.08664	3.4
243.15836	35.6
278.41440	2.2
303.13928	5.2
311.57211	2.3
567.22522	2.8
584.25732	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01855	1.2
55.05489	2.7
56.25323	0.5
57.03407	2.2
59.04976	1.2
61.02892	2.3
65.03909	0.7
67.05486	4.7
69.03413	6.2
69.07049	7.9
70.03729	0.8
70.07362	0.7
71.04940	1.0
76.35020	0.5
79.05471	7.7
81.03383	4.7
81.07027	7.7
83.04936	0.9
83.08587	1.3
85.02888	22.2
85.06514	2.9
86.03204	2.8
87.03295	0.5
87.04438	0.6
91.03908	1.0
91.05452	7.7
92.68554	0.5
93.07021	9.6
93.07578	0.8
94.07345	0.8
95.04948	15.2
95.08578	6.9
96.08876	0.6
97.02870	6.8
97.06482	1.2
97.10158	1.1
98.03223	0.6
99.04411	1.0
99.08074	0.8
103.04832	0.6
103.05447	3.6
105.03387	4.6
105.04461	0.7
105.07005	10.9
107.04935	26.8
107.08545	4.8
108.08939	0.6
109.02860	3.0
109.06489	1.2
109.10152	5.3
110.03638	0.7
110.10451	0.7
111.04378	0.7
115.05432	2.3
117.07000	4.0
117.32590	0.5
119.04888	0.6
119.08554	3.4
121.06503	5.4
121.10120	4.0
122.10412	0.6
123.04403	17.5
123.08056	0.8
123.11650	2.5
124.05188	2.8
124.07526	2.2
124.12006	0.6
125.05976	2.2
125.09597	0.6
127.03921	5.3
129.06953	2.2
130.07751	3.4
131.08531	3.5
133.06575	0.7
133.10086	2.3
135.04381	0.8
135.08041	6.5
135.11647	1.8
136.07547	8.8
136.11908	0.6
137.05965	6.2
138.09114	3.4
140.04657	5.7
143.08545	9.7
145.02823	2.9
145.04938	3.7
145.06439	2.7
145.10095	24.4
147.04393	2.8
147.08029	2.0
147.11676	0.8
149.05939	2.7
149.13214	2.5
150.13554	2.1
151.03864	2.3
152.04646	1.1
152.07025	2.3
153.05438	1.0
154.06221	0.8
155.07007	7.2
155.08514	5.6
158.07237	24.3
159.08058	2.7
161.05988	2.7
163.06139	1.0
163.07501	8.4
163.11165	2.1
164.07025	9.7
166.06212	2.3
167.06998	100.0
171.06520	0.8
171.07994	2.1
172.08926	0.8
173.09573	46.4
174.09967	0.7
175.07504	3.5
176.67529	0.6
177.05455	5.2
177.09088	0.7
178.06296	1.2
180.07756	0.6
181.04927	19.8
181.08545	19.6
183.06508	6.6
183.09117	2.3
186.06688	3.0
189.09058	3.2
191.10631	4.4
192.07745	1.2
193.08543	2.2
194.09296	0.8
195.10138	13.1
201.09067	54.9
205.19472	2.6
206.19827	1.3
207.10129	0.6
211.09500	0.8
212.16379	1.0
218.09367	0.8
219.10109	11.6
223.13252	1.1
223.20573	1.0
224.20847	2.3
233.11670	37.9
241.21616	0.8
242.21973	0.8
251.12727	50.2
254.17444	2.6
265.19308	0.5
267.08908	0.7
310.33783	0.5
351.69803	0.6
355.15192	1.2
374.21729	0.8
387.18149	5.1
405.18860	5.8
422.28873	0.9
434.27078	0.5
584.34338	0.9
594.04126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.1
55.01862	0.4
55.05498	0.3
57.03421	0.6
57.07048	0.2
61.02916	0.3
64.33327	0.1
67.05499	1.4
67.05798	0.2
69.03408	1.4
69.07063	1.2
70.07355	0.2
71.04961	0.6
77.60429	0.1
78.04694	0.4
79.05471	1.8
81.03410	1.3
81.07023	2.3
82.07359	0.3
83.04963	0.3
83.08607	0.4
85.02894	4.3
85.06523	5.3
85.62214	0.1
86.06856	1.3
86.09642	0.2
91.05441	1.2
93.07027	1.5
95.04932	1.1
95.08579	2.7
95.94418	0.1
96.08945	0.6
97.02876	1.4
97.06488	0.4
97.10121	0.2
99.04441	0.3
99.08068	0.7
103.05447	0.4
105.03368	1.5
105.07002	1.7
106.04140	0.3
107.04951	1.6
107.08569	1.0
109.02858	0.9
109.06506	0.7
109.10153	1.7
110.10461	0.3
111.08044	0.2
117.06971	0.2
119.04935	0.8
119.08556	0.7
121.02874	0.3
121.06460	0.9
121.10126	1.0
123.04378	2.8
123.11652	1.3
124.04361	0.2
124.05167	1.6
124.12018	0.7
124.60452	0.2
127.03915	0.6
131.08517	0.4
133.06461	1.1
133.10091	0.3
134.03563	0.2
135.11642	0.3
137.05933	0.7
137.09546	0.3
137.13274	0.3
139.03903	0.2
143.08467	0.2
145.02817	0.6
145.10136	0.2
147.04379	0.8
147.11650	0.2
149.05943	0.9
149.13242	0.7
151.03853	0.6
151.07538	0.3
152.04683	1.5
159.11646	0.2
161.05930	1.1
163.03896	0.3
163.07510	0.3
163.14836	0.2
167.06999	100.0
168.07339	0.8
177.05452	0.8
179.06982	0.2
181.08548	1.0
191.03401	0.2
193.08563	3.4
205.08611	0.2
210.40553	0.2
211.09618	9.9
224.20888	0.2
241.21490	1.2
242.21872	1.4
243.22221	0.2
583.26312	0.2
584.26910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.4
55.01848	0.7
55.05494	0.7
57.03404	0.9
59.04954	0.9
59.71238	0.4
60.16597	0.4
61.02886	2.2
62.46730	0.5
65.03899	0.7
67.05455	3.1
69.03417	4.3
69.07056	5.0
71.04960	0.9
76.88349	0.5
78.04678	0.9
79.05463	5.5
81.03391	3.4
81.07041	5.2
83.04961	0.8
83.08595	0.7
85.02427	0.6
85.02895	13.9
85.06507	1.9
86.06059	0.8
86.09691	0.7
87.04425	0.7
91.03921	0.8
91.05466	5.4
92.08917	2.8
93.07027	4.6
95.04940	13.5
95.08562	2.9
97.02891	4.8
97.06484	1.8
99.04403	0.9
103.05417	2.9
105.03390	5.3
105.04498	0.8
105.07003	6.0
106.04160	0.5
107.04940	29.5
107.08533	2.6
109.02859	2.5
109.06484	1.0
109.10146	1.1
111.04424	0.8
111.08041	0.6
114.20136	0.4
115.05428	2.3
117.06963	2.9
119.04896	0.5
119.08537	2.1
121.02839	2.4
121.06485	5.5
121.10122	1.1
123.04398	16.5
123.11636	1.2
124.05154	2.0
125.05972	0.8
127.03877	2.7
129.06978	2.1
130.07738	4.4
131.04843	0.7
131.08527	3.3
133.06471	0.9
133.10094	2.2
135.04393	0.9
135.08028	5.6
135.11678	0.6
137.05984	5.2
139.03987	0.4
140.04683	4.5
142.12262	3.1
143.08548	7.6
145.04941	2.3
145.06477	2.2
145.10103	25.5
147.04356	2.2
147.08009	2.2
147.11678	0.7
149.05934	0.7
149.09610	0.6
151.03845	1.2
152.04652	2.0
153.05527	0.5
153.07018	0.6
155.06990	6.8
155.08525	6.6
157.10168	0.6
158.07237	22.8
159.08006	2.9
161.05919	1.9
161.09618	0.6
163.03793	2.1
163.07516	7.0
163.11136	2.1
164.06990	0.5
166.06215	1.8
167.07001	100.0
168.07336	0.6
171.06529	1.1
171.08009	2.5
173.09581	43.5
175.07492	2.6
175.11082	0.6
177.05418	1.8
178.06142	0.6
181.04947	16.0
181.08559	19.9
183.06477	5.6
183.09178	2.4
184.07352	2.4
186.06660	4.3
189.09077	3.2
191.10649	4.8
192.07758	2.4
193.08575	1.0
195.10124	10.2
201.09076	54.9
202.09438	0.6
207.10069	2.0
211.09641	0.6
218.09351	2.0
219.10126	11.7
221.11652	0.5
223.13240	0.9
233.11678	40.6
249.07510	0.6
251.12723	45.2
307.07928	3.3
324.21750	1.0
336.13495	0.5
347.19366	0.5
378.85956	0.5
387.17947	6.1
405.19049	8.2
451.12012	3.1
486.26849	1.8
584.07776	0.9
584.17303	26.7
584.25861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01858	1.6
55.05499	1.9
57.03433	4.3
65.03926	0.8
67.05486	2.0
69.03407	9.9
69.07062	4.4
70.06585	0.8
71.04976	4.1
75.04466	1.7
78.04694	1.2
79.05471	9.1
81.03400	35.8
81.07027	8.5
83.04977	1.7
83.08631	3.4
85.02893	10.6
85.06553	6.0
91.05470	8.4
93.07032	7.8
94.07352	1.1
95.04957	10.1
95.08566	8.0
97.02897	6.3
97.06512	2.1
97.10152	1.0
99.04439	3.6
101.39669	0.8
103.05474	3.9
105.03371	10.9
105.06992	7.2
107.04939	16.5
107.08547	6.3
109.02868	4.9
109.06478	1.8
109.10143	4.2
111.04446	1.4
111.08062	1.3
115.05427	5.8
117.03402	8.4
117.07010	13.6
118.89722	0.9
119.04924	0.9
119.08575	5.6
121.02843	56.3
121.06467	2.0
121.10081	6.0
122.10464	1.1
123.04418	7.9
123.08019	1.1
123.11728	1.5
124.05190	4.7
125.05946	1.5
127.03913	5.9
128.06238	1.0
129.07013	5.9
130.96629	0.8
131.04939	2.2
131.08548	7.5
132.05716	1.1
133.06445	6.1
133.10120	1.9
134.03580	1.5
135.04376	3.3
135.11688	1.9
137.05917	8.0
138.06281	0.9
139.03885	14.3
140.04651	2.1
140.38826	0.9
141.07016	4.1
143.04893	1.8
144.05708	5.0
145.02843	29.2
145.05273	1.6
145.06465	27.3
145.10094	3.4
146.03175	1.9
147.04375	4.3
147.08011	1.2
147.11662	3.5
149.05988	5.9
149.13287	1.9
151.03940	1.0
151.07547	1.9
152.04692	1.6
153.05496	5.6
155.06004	4.5
155.07097	3.2
156.05685	4.8
157.06511	3.6
159.04416	0.9
159.08029	12.5
160.05222	1.5
161.05952	10.4
163.03874	4.0
163.07516	1.3
165.05502	1.1
167.07007	100.0
167.50140	0.9
168.07449	1.0
169.06412	1.0
173.05962	34.0
174.06589	1.0
175.07555	3.6
177.05431	36.3
178.05873	6.1
179.07062	1.4
181.04950	5.0
181.08618	1.6
184.05267	1.1
187.07483	10.3
189.05447	4.1
190.06215	21.9
191.06990	7.8
193.08549	3.4
195.06447	1.5
201.09114	0.9
202.06203	2.1
203.07039	4.5
204.07819	3.4
205.08568	21.1
207.06476	3.0
209.08060	3.9
217.08553	22.6
218.09154	1.2
219.08205	2.0
219.10190	6.0
220.07149	10.3
225.18384	1.3
235.09644	8.5
241.08499	1.4
241.10699	3.1
247.07420	2.8
247.09628	18.2
248.08388	1.7
258.00681	0.9
261.08972	1.5
263.10684	1.3
264.07788	2.0
265.10834	1.5
265.31552	0.9
267.72488	1.0
268.58469	0.9
269.07993	4.4
271.09662	3.8
276.07669	1.6
276.30170	0.9
279.12292	6.6
283.08182	7.9
286.08395	1.0
291.09637	1.5
291.12271	4.0
293.08136	1.3
299.09064	1.0
307.09589	2.1
308.10272	1.8
309.13446	3.6
315.08560	14.8
321.13321	2.0
323.08896	0.9
323.12665	3.3
329.10150	5.0
330.10950	8.8
331.11682	1.3
337.10983	1.1
339.14600	3.0
342.33273	0.9
343.11728	2.0
351.12140	2.1
353.10184	1.2
355.11572	1.2
356.12677	1.1
368.12454	1.3
369.13513	0.9
371.14941	1.5
383.14890	7.4
401.15909	4.8
404.14731	8.4
413.15619	1.3
445.18289	1.8
457.18570	7.9
469.51355	0.9
475.19543	18.7
478.18356	8.5
488.30817	1.0
531.22266	6.3
549.23248	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	584.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01856	3.2
55.05503	2.2
57.03430	5.5
57.45601	0.4
61.02913	11.2
65.03922	0.7
66.50523	0.4
67.05476	3.1
67.06531	0.4
69.03411	20.9
69.07044	3.5
71.04977	2.7
73.02894	3.7
74.80370	0.4
77.03877	0.4
79.05465	6.1
80.06863	0.4
81.03394	10.7
81.07033	6.4
82.07372	0.5
83.04968	2.7
83.08593	1.0
85.02887	89.2
85.06536	2.2
86.06046	0.7
86.09695	0.5
87.04453	2.9
91.03921	3.9
91.05461	5.1
92.05743	0.4
93.07026	4.7
95.04943	3.7
95.08587	5.1
96.08920	0.7
97.02869	26.0
97.06501	2.3
97.10151	0.7
98.77917	0.5
99.04429	5.6
99.08082	0.9
103.03954	0.7
103.05460	1.9
105.03383	14.3
105.07010	100.0
106.03692	0.6
107.04929	1.7
107.08573	4.0
109.02857	11.5
109.06498	2.2
109.10133	4.3
110.10459	0.9
111.04417	0.8
111.08064	0.9
112.39823	0.4
113.09589	0.7
115.03921	1.0
117.03356	0.7
117.06971	0.8
119.08565	3.1
121.02845	14.5
121.06512	1.7
121.10105	4.4
123.04406	1.6
123.08011	0.5
123.11683	2.6
124.45152	0.4
124.99954	0.4
125.05981	0.8
125.09586	0.6
127.03890	19.5
127.07528	0.6
129.05429	0.7
131.08572	0.7
133.06424	0.6
133.10132	3.6
135.08049	0.5
135.11658	0.6
137.05952	3.2
137.09570	0.9
139.03882	4.9
139.11157	0.5
145.02844	4.2
145.04941	20.1
145.10100	1.9
147.04326	1.4
147.08012	2.5
147.11635	3.4
149.05963	0.5
149.09605	0.7
149.13258	1.7
150.31644	0.5
151.11188	0.5
157.10110	0.5
159.08018	0.6
159.11610	0.9
161.09489	0.9
163.03880	0.9
163.05974	6.5
164.07039	0.5
165.12729	2.5
173.05850	0.5
177.05421	5.9
184.07292	3.0
193.12202	2.1
206.19765	0.5
207.06512	0.5
212.16382	4.7
223.20490	0.5
229.14307	2.8
236.16425	0.5
243.10078	8.6
249.07498	0.8
254.17455	9.2
265.10657	0.7
267.08539	2.0
273.03900	0.8
283.11560	0.6
301.03320	0.8
374.21503	3.4
422.28806	2.1
424.64954	0.5
451.11844	0.6
584.17310	15.9
584.33972	3.7
585.17102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.4
53.03929	1.7
53.53476	1.1
55.01849	1.8
55.05503	13.0
57.03411	1.0
57.07067	10.8
59.04981	5.3
66.98836	1.3
67.05187	1.6
67.05492	22.5
68.29032	1.1
69.03422	11.9
69.07037	9.8
71.04979	1.9
79.05472	19.2
81.07040	27.0
83.04959	3.0
83.08595	4.6
85.06517	6.8
91.05455	34.6
92.09158	1.7
93.07016	47.6
95.04920	13.1
95.08585	30.8
97.06516	2.7
105.07011	58.4
106.07752	1.7
107.08566	30.9
108.63798	1.3
109.06511	10.6
109.10139	17.2
111.08044	8.9
115.05450	1.6
116.20078	1.3
117.06998	13.8
119.08554	58.7
121.06459	7.2
121.10120	25.9
122.07251	2.6
123.08022	24.3
123.11682	1.9
125.05952	1.7
128.06181	5.5
129.06964	9.4
130.07726	6.0
131.08539	23.5
133.10107	33.7
135.08020	19.0
135.11671	10.8
137.05904	1.3
137.09584	32.5
141.06976	5.7
142.07751	13.9
143.08530	24.7
144.09317	6.1
145.10107	39.7
147.08025	43.7
147.11674	13.2
149.09557	5.3
151.07483	10.9
155.08525	9.1
156.09317	11.3
157.10095	28.0
158.10892	2.6
159.08005	5.3
159.11662	19.0
160.08772	1.3
160.68370	1.4
161.09587	6.8
161.13226	8.3
163.11130	3.1
164.76596	1.4
165.06935	2.9
165.09070	66.1
166.07756	1.5
167.08502	6.6
168.09332	2.7
169.10077	10.8
170.10860	8.8
171.11624	13.3
173.09567	3.2
173.13237	7.3
175.11116	1.9
175.14763	5.0
179.08517	6.5
180.09248	1.8
181.10083	9.1
181.12186	1.7
182.10843	1.9
183.11623	11.1
185.13234	9.0
187.14764	5.2
189.12750	5.1
192.09346	2.2
193.10107	6.7
194.10902	3.2
195.11646	9.0
196.12480	2.5
197.13162	8.7
199.11232	2.3
201.12589	1.5
203.14285	26.9
207.11656	5.6
207.13600	3.8
208.12582	1.9
209.13205	6.8
211.14825	3.3
215.67412	1.4
219.11555	1.7
221.13387	3.7
221.15303	100.0
223.14818	5.7
227.14154	1.5
235.14761	2.8
237.16318	2.0
247.14796	1.9
293.19119	1.5
299.20078	1.7
301.19229	1.4
352.23807	2.8
365.25134	1.4
473.33994	6.1
491.34604	2.8
503.34982	7.2
565.39978	5.9
583.41321	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	583.414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85176	1.9
53.03930	4.6
55.05507	26.7
57.07060	12.4
59.04997	3.0
65.03910	3.4
67.05489	32.4
69.03410	5.7
69.07060	24.8
79.05469	34.7
81.07037	48.6
83.04955	9.5
83.08592	11.1
85.06541	4.3
91.05454	56.5
92.08998	22.3
93.07021	69.3
95.04961	18.9
95.08584	39.4
97.06528	4.3
97.10162	2.9
103.05463	3.7
105.04501	2.3
105.07014	97.7
107.08583	57.6
109.06499	17.7
109.10139	24.6
111.08129	3.7
114.36549	2.8
115.05450	4.7
117.06996	26.6
119.08556	100.0
121.06500	4.0
121.10113	55.3
122.61208	2.2
123.08056	13.3
123.11694	4.6
125.05992	4.8
128.06210	21.5
129.06955	22.4
130.07758	12.8
130.48325	2.2
131.08533	43.9
131.09436	2.8
133.10098	57.3
135.08040	9.3
135.11682	11.0
135.98926	2.4
137.09587	12.6
141.06975	13.6
142.07739	32.4
143.08528	53.9
144.09305	12.5
145.10110	57.7
147.08040	11.5
147.11690	26.6
149.09602	10.2
151.07495	9.8
153.06950	9.5
154.07794	4.2
155.08487	26.5
155.85806	2.5
156.09291	28.0
157.10109	58.3
158.10902	12.8
159.08067	4.9
159.11667	27.8
161.09615	3.6
161.13179	5.4
163.11270	6.6
165.06967	13.9
165.09091	14.9
166.07803	3.2
167.08508	14.9
167.10594	17.8
168.09311	13.8
169.10101	39.6
170.10884	15.1
171.11659	31.9
173.09660	3.3
173.13219	22.6
175.14784	4.2
179.08508	21.9
180.09282	5.1
180.16292	2.3
181.10092	23.4
181.12248	3.8
182.10880	15.7
183.11670	31.2
184.12436	10.4
185.13211	18.1
187.14848	4.4
189.12724	4.0
191.14252	3.3
192.09224	9.4
193.10089	21.6
194.10977	19.1
195.11613	35.3
196.12489	5.0
197.13182	21.4
199.14772	17.5
201.16325	2.6
203.14233	5.4
205.10118	3.5
206.10928	9.5
207.11668	26.4
207.13596	4.0
208.12430	9.7
209.13222	29.3
211.14799	17.6
216.09456	2.8
217.10133	5.4
217.15787	4.1
218.10934	2.7
219.11626	12.8
220.12502	10.8
221.13232	19.7
221.15375	18.9
222.13925	5.1
223.14793	15.4
223.88290	2.2
225.16367	5.1
230.10918	2.9
231.11636	3.0
232.12360	4.1
233.13152	15.3
233.15341	5.4
234.13997	4.6
235.14789	14.4
236.15462	2.7
237.16295	9.7
239.17899	2.8
243.11636	4.0
245.13205	11.2
246.14050	4.7
247.14828	9.5
249.16382	4.4
251.17737	9.0
257.18964	5.6
259.14661	3.9
260.15601	4.2
261.16275	9.8
262.17114	3.1
265.19559	4.6
269.18945	5.5
271.14767	3.3
273.16385	4.9
275.17896	5.2
277.19461	4.2
283.20499	11.2
287.17679	3.9
297.22028	2.9
331.24298	3.5
335.23724	3.0
349.25217	3.2
375.26559	2.8
379.71500	2.4
403.30075	3.2
491.34656	2.5
516.87122	2.7
546.76575	2.5
547.39032	3.1
565.40112	18.0
583.41339	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
55.05505	17.9
57.07061	11.4
59.04985	3.0
61.49917	1.5
65.03922	1.9
66.13302	1.6
67.05487	25.9
69.03411	9.2
69.07051	17.1
71.65564	1.5
74.64783	1.7
76.89893	1.7
79.05473	25.4
80.87727	1.5
81.07040	30.5
83.04977	3.6
83.08619	6.5
85.06525	9.8
91.05457	48.6
92.08836	3.2
93.07027	53.4
95.04929	14.3
95.08579	34.1
97.06527	3.2
103.05446	1.9
105.04505	1.9
105.07012	77.3
107.08578	40.4
109.06543	12.8
109.10134	15.8
115.05445	3.6
117.06971	15.7
119.08555	77.5
119.09390	3.4
121.06462	3.4
121.10110	40.9
123.08054	17.5
123.11710	2.0
125.06020	1.9
128.06233	16.4
129.06979	23.3
130.07739	8.4
131.08546	38.0
133.10109	39.6
135.08054	9.6
135.11697	10.7
137.09567	15.0
139.11034	2.3
141.07016	10.6
142.07756	23.6
143.08545	46.2
144.09326	4.1
145.10100	52.2
147.08055	20.2
147.11635	17.9
149.09662	3.8
149.13272	2.5
151.07506	17.3
153.06996	4.2
154.07826	3.1
155.08530	19.2
156.09315	22.9
157.10103	64.0
158.10936	10.0
159.08041	3.6
159.11661	29.3
161.09694	4.2
161.13228	3.4
163.11143	4.0
165.06996	6.8
165.09084	30.8
165.50398	1.7
166.07770	3.8
166.57991	1.8
167.08543	14.7
167.10690	2.2
168.09369	10.0
169.10081	29.4
170.10883	10.3
171.11653	31.3
172.52757	2.0
173.13197	17.8
175.11136	2.0
175.14806	3.9
179.08563	17.6
180.09325	4.1
181.10146	19.3
181.12224	3.7
182.10918	10.4
183.11667	28.3
184.12448	2.9
185.13240	17.5
187.14850	7.6
189.12759	7.8
191.14247	4.1
192.09328	2.9
193.10130	16.3
194.10925	9.4
195.11646	26.1
196.12534	8.3
197.13206	17.4
199.14841	11.8
203.14296	14.8
205.10158	6.6
206.10950	8.4
207.11707	19.4
207.13605	5.0
208.12465	7.9
209.13239	25.2
210.14059	3.6
211.11101	2.9
211.14821	9.2
213.12733	2.3
215.14323	2.0
217.10179	2.7
217.15916	4.0
218.10834	2.7
219.11771	7.8
220.12451	7.3
221.13251	14.8
221.15395	36.9
222.14053	3.8
223.14783	14.5
225.16354	2.5
231.11740	3.4
232.12425	3.3
233.13246	12.3
233.15337	3.5
234.14117	2.9
235.14734	14.5
235.64638	1.8
237.16315	7.2
239.17963	3.3
244.12572	2.6
245.13281	9.4
246.13972	4.2
247.14679	12.1
248.15439	3.0
249.16367	7.3
251.17979	2.3
255.11833	2.0
257.13205	2.2
257.18979	6.9
259.14862	6.9
260.15558	3.2
261.16391	7.0
263.17957	7.9
265.19464	3.5
269.19104	2.6
271.14871	3.5
273.16376	3.0
275.17947	10.9
277.19391	2.1
279.20886	2.5
283.20605	10.2
285.11087	1.9
285.16290	2.8
289.19446	2.5
295.20709	3.2
349.25006	3.6
357.25745	2.6
360.45752	2.1
375.26651	3.2
403.29922	3.0
455.71155	2.0
491.34558	2.5
503.35397	2.6
565.40179	25.5
583.41382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	2.6
53.03938	3.7
55.05281	1.5
55.05502	20.6
55.34715	1.7
57.07062	13.3
59.04982	3.0
60.41145	1.7
67.05485	29.2
69.03406	4.4
69.07046	19.8
70.50278	1.4
71.04954	2.0
74.09138	1.5
75.60527	1.7
79.05465	34.3
81.07029	29.8
83.04961	9.0
83.08584	7.0
85.06536	7.3
91.05452	65.2
92.09109	14.1
93.07018	65.5
94.35728	2.0
95.04932	15.8
95.08574	26.3
97.06495	3.7
99.73736	1.6
103.05405	3.7
103.49300	1.8
105.07008	100.0
107.08571	47.5
109.06503	9.6
109.10140	23.8
115.05415	9.2
117.06999	23.1
119.08551	97.4
121.06473	2.8
121.10120	39.7
123.08057	15.6
123.11668	1.8
125.05973	3.6
128.06195	19.4
129.06970	27.1
130.07713	14.6
131.08531	43.3
133.10101	42.2
135.08008	13.0
135.11673	10.8
137.09583	11.5
141.06946	18.2
142.07750	36.9
143.08530	54.8
144.09302	11.5
145.10103	48.6
147.08018	13.3
147.11668	16.3
149.09596	3.7
151.07478	8.5
153.06964	10.9
154.07799	2.7
155.08545	24.8
156.09300	32.4
157.10098	56.3
158.10847	9.1
159.08002	3.6
159.11650	21.4
161.09589	2.1
161.13135	3.4
163.11169	8.6
165.06984	12.4
165.09071	15.4
166.07730	7.2
167.08531	15.2
167.10632	8.5
168.09282	12.0
169.10081	38.2
170.10834	10.5
171.11642	30.1
173.09575	2.1
173.13240	23.3
175.11137	2.4
175.14769	3.9
178.07832	3.0
179.08514	25.4
180.09348	9.7
181.10048	23.2
181.12219	8.6
182.10896	10.5
183.11659	31.6
184.12440	8.0
185.13113	14.6
187.14793	2.8
189.12782	2.9
191.14275	8.0
192.09254	11.2
193.10081	24.0
194.10890	18.0
195.11661	31.4
196.12421	10.3
197.13208	17.7
199.11084	2.1
199.14853	13.4
203.08569	2.0
203.14334	7.1
204.09254	2.9
205.10068	9.0
206.10834	14.3
207.11667	21.2
207.13588	3.3
208.12411	10.4
209.13229	31.4
210.14018	4.0
211.14708	12.6
213.16458	2.3
217.10072	3.2
217.15854	3.9
218.10840	7.9
219.11649	11.5
220.12419	10.4
221.13199	13.8
221.15331	22.2
222.13918	3.3
223.14796	16.1
224.15294	1.9
231.11671	10.8
232.12350	8.2
233.13300	15.7
233.15170	2.1
234.13945	6.6
235.14740	13.3
236.15521	3.0
237.16333	4.1
239.17900	3.1
243.11623	4.1
244.12453	2.6
245.13138	6.6
246.13937	6.5
247.14742	11.4
248.15331	2.2
249.16331	8.3
251.17867	3.5
257.18964	8.0
259.14685	4.0
260.15414	4.5
261.16293	12.0
263.17941	7.8
265.19339	2.6
273.16290	2.3
275.17932	12.4
283.20486	10.5
284.15320	2.2
287.17575	2.5
289.19336	3.5
291.21066	2.5
331.23941	3.4
349.25153	8.0
563.96759	2.2
565.40021	8.8
583.41260	26.5
606.41083	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	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.0
55.05496	10.5
57.07058	12.3
59.01752	1.7
59.04984	4.4
63.19043	1.7
65.03923	1.9
66.33678	2.2
67.05495	22.5
69.03417	11.2
69.07045	13.4
75.20318	2.1
79.05482	22.1
81.07040	30.8
83.04929	2.4
83.08604	3.1
91.05457	40.8
92.08788	10.9
93.07017	57.8
93.07563	2.9
95.04935	11.6
95.08577	28.1
97.06522	2.8
103.05435	2.4
105.04509	2.6
105.07011	63.2
107.04900	1.8
107.08582	37.8
109.06491	14.1
109.09509	2.3
109.10119	20.5
111.08073	5.0
117.06991	12.9
119.08555	58.5
121.06466	5.0
121.10128	27.7
122.07295	2.7
123.08052	25.5
123.11626	2.1
125.06011	2.9
128.06181	8.4
129.06990	12.3
130.07751	7.6
131.08533	23.0
133.06436	3.0
133.10103	25.1
135.08015	19.5
135.11688	4.9
137.09584	33.9
141.06937	4.9
142.07707	15.6
143.08516	21.0
145.10089	38.6
147.08038	37.1
147.11668	8.0
149.09593	3.2
149.13222	2.5
151.07523	12.9
151.18321	2.5
155.08519	10.3
156.09312	11.9
157.10098	28.5
159.07999	3.4
159.11676	23.8
161.09608	8.3
161.13220	10.0
163.11101	3.2
165.06981	3.1
165.09073	72.3
167.08551	2.9
168.09325	2.8
169.10121	12.9
170.10838	8.3
171.11604	14.2
173.13211	4.9
175.11160	3.2
175.14787	4.5
179.08447	8.0
181.10179	4.4
181.12151	2.3
182.10950	2.4
183.11635	17.4
185.13336	2.8
187.14787	4.6
189.12637	3.4
193.10103	4.9
194.10904	3.4
195.11674	12.7
197.13197	12.3
199.11180	2.5
203.14233	25.0
207.11659	2.7
209.13228	10.3
211.14726	4.9
219.11546	2.8
220.12473	2.3
221.13289	6.7
221.15308	100.0
225.16515	2.1
235.14700	2.7
249.16241	2.3
258.64502	2.1
299.19989	3.0
358.63730	2.3
473.33783	4.0
503.34995	8.6
565.39771	8.8
583.41565	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.0
57.95902	2.4
65.60568	2.3
67.01881	3.2
67.05495	19.1
68.38739	2.5
79.05468	11.6
81.07048	16.2
83.55146	3.1
91.05505	6.0
92.09003	21.3
93.07024	12.4
95.08605	14.3
105.07010	4.1
107.08621	3.5
117.07032	3.2
118.45955	2.6
119.08530	4.9
121.10084	3.2
121.18964	2.6
133.10162	4.3
135.11679	3.9
145.10120	6.2
159.11700	3.7
161.09494	3.0
200.84624	3.1
249.10909	28.9
305.13528	6.9
431.80884	3.3
583.35803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
54.78468	0.7
55.05494	3.8
57.03431	1.8
67.05493	10.1
69.07048	1.7
78.51920	0.7
79.05460	6.6
81.07050	7.2
91.05460	3.2
92.09174	5.0
93.07020	5.4
95.08572	6.4
105.06989	3.5
107.08578	2.0
107.68538	0.8
109.10156	3.4
119.08554	3.4
121.10131	3.6
124.79557	0.8
131.08540	1.0
133.10129	1.0
136.55792	0.9
157.10039	1.2
216.42197	1.0
239.01794	0.9
249.10930	40.1
305.13550	1.6
335.25900	0.8
337.13043	1.1
337.18393	0.8
378.93652	0.9
398.39398	1.1
491.87299	0.9
583.35901	100.0
584.36487	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14427	0.6
53.03932	6.6
54.57158	0.7
55.01874	1.0
55.05496	0.8
57.03428	1.2
57.07044	0.8
57.35867	0.6
60.08146	4.2
60.93249	0.8
65.26535	0.7
66.93807	0.7
67.01860	1.0
67.05482	1.7
69.03405	8.6
69.07049	1.3
71.04953	1.5
71.07318	1.2
79.05470	8.0
80.81670	0.8
81.03394	20.6
81.07042	3.6
83.04957	1.3
85.02888	8.3
86.09692	17.6
89.03895	5.0
91.05467	3.7
92.09073	1.9
93.07029	1.4
94.33729	1.0
95.04952	11.1
97.02878	10.6
97.06522	0.9
98.29268	0.9
99.00824	0.9
99.04422	1.6
101.02339	1.3
104.10728	4.3
105.03372	100.0
105.06995	1.6
107.08536	1.4
109.02858	8.0
109.10151	1.2
117.03356	11.2
119.08527	2.0
121.10130	1.7
123.04414	6.9
124.99993	9.8
125.02299	0.9
127.03878	4.8
131.04874	0.8
134.03607	1.1
135.04379	4.2
137.05951	5.5
141.05505	0.8
143.62213	0.8
145.02826	21.1
145.04901	0.9
145.10143	1.0
147.04379	1.2
149.05940	8.4
163.03870	8.9
167.01945	1.7
167.03369	53.6
167.06990	1.5
177.05437	60.8
184.07301	39.5
185.04434	4.8
185.07669	1.9
193.04950	4.0
197.04384	0.9
209.04457	6.2
219.06480	3.5
233.04337	0.9
249.07491	14.0
267.08554	1.4
267.11923	1.3
275.05444	3.5
281.13657	1.6
283.15216	1.3
292.50397	0.9
292.54520	0.8
317.10162	53.8
336.98303	0.9
388.59738	0.9
425.12112	1.2
565.29987	1.0
582.29407	1.6
583.29486	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.3
55.05500	14.1
57.03417	10.1
57.07062	3.7
60.58413	2.4
67.05489	100.0
69.03395	4.0
69.07050	14.5
71.04630	3.1
71.04973	25.5
75.23711	2.4
79.05474	41.7
79.76247	2.3
81.07037	54.1
81.89068	2.8
83.04960	4.7
83.08597	5.0
85.06528	3.4
91.05464	32.4
92.08784	5.9
92.09290	4.5
93.07009	47.5
95.04913	5.1
95.08582	42.2
97.06516	5.0
104.34309	2.4
105.06998	19.3
107.08560	24.4
109.10139	64.7
113.17742	2.9
117.06979	3.6
119.08553	20.2
121.10120	20.2
131.08548	4.0
133.10121	12.7
135.11661	13.6
137.09586	17.5
145.10085	11.4
157.10136	3.8
159.11703	3.1
163.11145	3.0
165.09172	4.3
173.11763	5.2
221.15353	4.6
241.13354	2.6
261.22144	4.8
287.18472	17.8
290.03531	3.0
293.49518	2.7
335.25732	16.8
400.97156	2.9
489.35577	70.8
547.39709	35.7
582.40662	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	582.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62706	3.0
52.33292	2.6
53.03928	3.3
55.01852	3.8
55.05507	44.2
55.30833	3.1
55.65015	2.7
56.34852	3.7
57.03435	32.2
57.07064	6.1
62.90755	2.9
67.05494	82.9
69.07063	40.1
71.04971	8.8
71.95664	3.6
72.26028	3.0
72.69202	3.1
79.05479	41.1
81.03394	76.1
81.07034	100.0
81.07480	5.9
83.04963	33.5
83.08625	30.9
85.02890	31.8
85.06530	7.7
91.05464	57.6
92.08789	26.3
92.09397	10.8
93.07020	45.6
95.04939	31.0
95.08589	65.2
97.02817	3.8
97.06515	5.6
97.10148	12.6
105.07005	37.2
107.04953	7.2
107.08569	17.5
109.06487	8.2
109.10143	22.7
111.08070	6.1
114.31960	3.1
115.82746	3.3
119.08546	34.6
121.10136	22.4
124.64077	3.9
129.06969	21.0
131.08546	15.1
133.06435	3.9
133.10120	20.7
133.94449	3.6
137.09557	3.6
142.07799	3.8
147.11707	20.6
149.09578	4.7
157.10083	18.1
164.74403	4.1
175.11177	19.8
193.12236	39.7
211.13312	52.9
267.15768	13.6
282.67410	3.4
285.16931	65.1
337.27298	70.4
488.42078	4.5
529.38678	7.4
539.15570	3.9
547.39954	78.5
582.40601	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	582.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
55.01852	4.8
55.05499	39.2
57.03432	32.5
57.07065	6.6
61.86444	4.2
62.37767	3.9
63.10761	4.3
63.72399	3.9
67.05491	98.1
69.07050	44.7
79.05472	52.5
81.03396	57.8
81.07039	100.0
83.04963	23.6
83.08607	38.7
85.02906	10.3
85.06574	4.2
86.57288	4.3
91.05485	51.7
92.08752	16.1
92.09347	10.1
93.07024	42.0
93.18127	4.6
95.04964	26.2
95.08578	63.0
97.10175	6.1
105.07020	33.7
107.04984	4.9
107.08576	24.9
109.10171	23.1
111.08089	7.9
119.08560	24.9
121.10155	23.6
123.11685	8.8
129.06981	6.6
131.08553	10.0
133.10130	23.9
147.11604	9.1
148.84940	5.7
157.10147	8.8
175.11185	11.3
193.12236	21.7
211.13226	35.6
228.65373	4.4
256.31006	5.8
267.15872	7.1
285.16879	39.1
326.56113	5.9
337.27216	77.6
364.30533	4.8
447.23297	5.8
547.39929	62.7
581.39215	5.5
582.40460	52.6
587.91217	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	582.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.9
53.03930	4.3
53.48167	0.7
54.05386	0.8
54.81573	1.1
55.01865	3.4
55.05507	12.2
56.95128	0.7
57.03419	4.1
57.07061	3.1
59.04973	1.0
61.02903	4.3
67.05499	15.1
69.03416	14.3
69.07051	18.0
71.04984	7.6
72.03989	0.9
73.02888	4.6
73.37935	0.8
74.06181	0.8
76.36156	0.8
77.34506	1.0
79.05473	11.2
81.03405	13.2
81.07038	30.6
83.04963	3.4
83.08590	8.9
85.02893	46.8
85.06530	100.0
86.09691	1.3
89.03909	1.0
91.03918	1.6
91.05449	7.6
92.08802	5.7
93.07030	14.2
95.04951	8.5
95.08006	1.9
95.08586	39.6
97.02871	14.8
97.06506	22.5
97.10143	8.4
99.00822	3.4
99.04441	8.4
99.08080	9.8
101.02347	1.4
105.03374	55.6
105.06992	9.4
107.04927	1.7
107.08567	14.2
109.02857	5.9
109.06512	1.7
109.10142	32.7
111.08067	1.5
111.11694	1.8
113.09607	1.7
117.03370	2.2
117.07014	1.7
119.03423	1.3
119.04936	3.9
119.08562	26.7
121.10114	11.8
123.04408	5.7
123.08070	2.1
123.11684	26.3
125.09667	1.2
127.03904	8.1
127.11160	2.1
129.06970	1.5
131.04892	1.7
131.08522	1.6
133.06491	1.1
133.10098	4.3
135.04321	1.8
135.11665	8.1
137.05936	1.4
137.13252	1.7
141.12737	5.5
142.45212	0.9
143.08533	1.4
145.02841	8.7
145.04933	7.3
145.06416	0.8
145.10104	2.0
147.04399	11.6
147.11684	2.1
149.13243	10.2
155.08539	1.2
157.10068	1.0
159.11667	1.7
163.03860	12.4
163.06042	1.3
163.14813	1.7
171.11664	1.1
173.05977	1.1
177.05411	10.4
184.07309	4.5
185.51306	0.9
185.62520	1.0
187.03891	1.0
189.05560	1.1
189.09143	1.2
191.07036	1.9
195.08076	1.1
203.17938	1.1
205.19473	6.9
209.27725	1.0
215.07021	1.4
217.03357	1.1
223.20541	10.8
241.08618	1.7
241.21591	54.2
249.07516	5.0
254.13344	0.9
259.09744	1.2
267.08603	6.6
269.08502	0.9
281.10175	4.5
289.25513	1.0
337.14297	1.7
355.15372	10.7
373.16479	4.0
386.13058	1.0
588.30969	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.05508	23.7
57.03423	8.1
57.07053	12.9
61.02904	9.3
65.58701	1.6
67.05486	34.1
67.07322	1.8
69.03403	21.9
69.07055	31.0
71.04958	4.1
71.08608	2.5
73.02888	2.5
79.05466	19.3
81.03392	12.6
81.07038	69.3
83.08594	37.9
85.02885	66.9
85.06523	17.9
86.03227	3.4
91.05458	13.9
92.08970	13.0
93.07017	64.8
95.04926	3.3
95.08585	61.6
96.08872	2.4
97.02859	22.0
97.06477	2.7
97.10133	11.9
99.04401	2.3
99.08063	21.7
101.33521	2.1
105.07014	20.2
106.07349	2.1
107.08583	70.5
108.42233	2.3
109.02878	7.4
109.06441	1.9
109.09404	3.3
109.10140	79.3
119.08547	8.2
120.08900	1.9
121.10119	48.8
122.10502	3.2
123.11676	45.0
127.03897	8.8
131.08516	2.3
133.10130	4.9
135.11682	35.6
137.13274	2.6
145.04907	9.6
147.11661	8.7
148.12109	1.8
149.13231	100.0
159.11655	2.7
161.13246	3.0
163.06038	3.5
163.14781	14.9
171.57283	2.0
184.07336	3.6
186.95593	1.9
187.26286	2.1
187.27975	2.5
203.17986	3.6
205.19490	82.7
223.20538	64.1
240.54710	2.5
309.96426	2.3
331.97083	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	582.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46029	0.5
53.00286	0.8
53.03928	3.8
55.01853	5.2
55.05501	9.6
57.03428	5.8
57.07063	1.4
61.02921	5.4
64.33199	0.7
65.03925	1.1
67.05488	19.4
69.03415	20.1
69.07055	17.2
71.04967	8.7
73.02882	1.8
74.18321	0.8
79.05464	10.1
81.03393	18.0
81.07034	39.7
83.01338	1.2
83.04964	4.3
83.08594	9.3
85.02361	1.4
85.02886	45.9
85.06525	100.0
86.06860	0.8
86.09689	4.9
87.04430	1.3
89.03913	2.9
91.03920	1.0
91.05456	29.8
92.09007	4.9
93.07020	21.0
95.04954	12.1
95.08582	45.0
97.02866	17.2
97.06525	9.8
97.10153	5.3
99.00803	1.3
99.04420	5.4
99.08073	8.6
101.02345	1.2
104.10737	3.7
105.03371	52.7
105.07010	10.9
106.03719	2.0
107.04929	4.7
107.08577	26.8
108.08913	0.9
109.02856	9.5
109.06496	5.1
109.10136	35.4
111.04430	1.3
111.08078	1.6
111.11709	1.4
113.09627	1.2
117.03353	11.3
117.06996	1.6
119.04906	4.3
119.08538	8.0
121.02856	1.4
121.06490	4.2
121.10132	18.4
123.04391	5.8
123.08001	1.8
123.11679	29.4
124.99966	2.9
125.09608	1.5
126.91089	0.8
127.03880	11.6
127.11160	4.0
128.06244	1.2
129.06963	9.7
131.04903	1.1
131.08542	6.8
133.02904	1.0
133.06444	3.5
133.10077	11.2
135.04401	5.4
135.08011	1.8
135.11684	12.5
137.05943	6.5
137.09579	1.8
137.13228	3.9
139.11121	1.3
143.08551	4.2
145.02829	29.2
145.04922	7.2
145.06029	0.8
145.10068	4.8
146.07159	1.2
147.04376	7.4
147.08066	1.1
147.11678	4.7
149.05960	4.8
149.09581	1.1
149.13231	12.4
151.03867	1.0
153.12730	1.0
155.08415	1.1
157.06438	7.9
159.11690	1.1
161.05917	1.1
161.09601	11.0
163.03868	14.4
163.05956	1.7
163.11165	1.2
163.14828	3.5
165.09114	1.5
165.12663	1.0
167.07002	6.0
167.14359	1.1
171.02831	0.8
173.05872	1.0
173.13254	3.6
174.06796	3.0
175.03903	1.3
175.07434	1.0
177.05429	35.0
177.06973	1.3
177.16367	1.2
178.05908	1.0
179.17943	1.0
181.04901	10.6
181.08549	4.7
184.07298	8.8
187.07468	0.9
188.08183	1.1
189.09068	32.6
191.14285	6.1
193.12263	1.0
203.17874	1.0
205.19489	10.6
206.09364	1.0
207.06448	6.9
213.08980	1.0
217.08455	0.9
221.11690	42.6
223.16922	0.9
223.20518	11.0
241.17963	0.9
241.21548	33.3
249.07460	10.6
249.11145	31.6
263.09067	1.2
264.09213	0.8
267.08517	6.7
279.06189	1.2
281.10257	4.2
349.23636	1.1
355.15323	1.0
373.16168	1.2
374.93472	1.0
391.85019	0.8
394.90814	0.8
403.17413	25.6
427.97903	0.9
547.21338	1.0
582.33997	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54965	0.3
53.03917	0.8
55.01862	4.4
57.03426	22.0
59.04978	0.5
59.85060	0.4
61.02911	9.8
65.03914	0.5
65.57322	0.5
66.85222	0.4
69.03413	28.3
71.01344	3.1
71.04964	2.3
73.02895	40.5
81.03392	4.7
83.01328	0.6
85.02885	50.8
87.04437	2.8
91.03947	3.7
91.05457	35.4
92.09023	2.3
93.07017	0.5
95.04926	0.5
97.02866	43.6
99.00788	11.9
99.04421	3.3
101.02346	4.2
101.93803	0.4
105.03361	3.5
105.07001	0.8
107.04927	0.5
109.02873	4.8
111.04408	1.1
115.03905	21.4
115.71298	0.4
117.01804	0.5
117.06983	0.6
119.03452	6.5
119.04907	31.1
119.08546	0.7
121.89640	0.5
123.04410	0.4
127.03878	12.8
132.06531	0.9
133.04932	5.8
133.06516	0.6
137.05965	0.5
145.04924	11.8
145.06172	0.7
145.06508	0.6
146.86038	0.6
147.04381	100.0
148.04713	0.8
150.07658	0.8
159.08063	0.7
163.06001	6.1
171.02858	1.9
171.07935	0.5
176.99973	0.6
177.05423	2.4
197.74693	0.4
205.08586	0.6
212.08261	0.5
213.09129	0.7
217.03381	6.6
220.99013	0.6
223.05939	2.0
223.09596	0.6
241.07037	3.3
251.08945	0.6
253.10567	1.8
259.08029	4.9
265.06955	4.6
295.10168	9.4
325.11105	2.7
335.06076	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	582.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.5
53.03934	0.9
55.01855	5.9
55.05492	1.2
57.03424	28.0
59.04968	6.3
61.02912	12.6
63.08306	0.7
69.03411	82.5
69.07055	1.0
71.01328	5.7
71.04958	1.5
73.02890	18.3
75.04447	4.3
76.59872	0.8
79.05461	3.6
81.03395	8.1
83.01325	1.8
83.04944	2.0
85.02882	76.0
87.04442	55.5
91.03928	8.8
91.05454	41.8
93.06983	1.5
95.04928	1.7
97.02866	76.7
99.00787	27.4
99.04420	6.2
101.02363	14.0
103.03929	1.0
105.03367	15.6
105.07001	5.6
106.03710	1.4
107.04903	5.2
109.02853	4.5
111.04405	1.8
115.03904	62.4
117.01811	1.5
119.03404	15.8
119.04906	34.6
119.05710	1.2
119.08504	1.5
123.04386	1.8
124.07523	1.6
127.03905	13.2
133.04932	59.2
137.05983	1.2
139.03957	1.1
145.04941	13.5
145.10123	1.3
146.08113	1.2
147.04379	100.0
161.16165	1.0
163.05940	2.0
169.04910	1.5
171.02843	6.1
175.07529	1.2
212.08499	0.9
212.16690	0.9
213.09003	4.4
217.03407	15.0
222.14832	10.9
223.09578	5.5
223.15222	4.2
236.25125	0.9
241.07030	1.3
253.10786	1.0
259.08005	10.0
265.06894	1.6
267.08542	1.2
277.09161	1.9
287.05396	2.2
288.05753	3.8
295.10242	10.1
325.11307	2.1
335.06000	11.9
345.80661	1.0
359.13220	0.9
361.34937	1.0
458.64987	1.0
544.61011	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
54.54676	0.5
55.01679	0.5
55.01868	8.5
55.05497	0.8
57.03429	24.9
59.61797	0.6
60.45205	0.5
61.02601	0.7
61.02914	19.9
63.24748	0.6
65.03932	1.1
65.42735	0.5
67.84393	0.6
69.03416	37.1
70.06586	1.0
71.01357	4.8
71.04973	3.3
73.02902	47.1
79.05466	2.9
81.03393	7.9
81.07029	1.0
83.01338	1.0
83.04949	0.9
85.02890	80.9
86.09660	0.6
87.04453	8.7
89.02421	0.7
90.44542	0.6
91.03947	12.3
91.05460	100.0
93.07037	1.6
95.04945	1.4
95.08590	1.5
97.02871	57.2
99.00797	32.9
99.04431	5.9
101.01745	0.8
101.02355	13.5
103.03938	0.8
105.03371	15.8
105.07011	3.4
107.04935	0.8
107.08574	1.2
109.02866	7.8
115.03905	25.3
117.01837	1.4
117.06977	1.4
119.03401	23.0
119.04898	13.7
119.08537	1.0
121.06468	1.5
123.04373	3.3
124.52164	0.7
127.03887	18.9
129.06961	0.9
131.08487	0.6
133.04933	8.8
133.06470	1.2
136.07527	1.4
143.08485	0.7
145.04944	26.1
147.04393	37.0
159.11751	0.9
161.04449	1.3
163.05971	9.9
171.02843	9.7
174.03105	0.9
175.03922	1.4
189.04016	0.7
192.04111	1.0
205.08511	1.1
207.06451	6.5
213.08989	2.6
217.03400	22.8
217.08542	2.6
223.13339	1.3
235.09660	1.4
237.09180	1.0
241.06992	3.2
241.14188	1.0
243.04741	0.8
249.07533	2.7
253.10724	4.7
259.08075	4.8
265.06985	3.0
267.08496	4.7
281.10013	1.2
289.08902	0.8
293.08307	0.9
295.10196	9.0
317.04919	0.9
325.11151	5.8
331.38672	0.7
335.06097	12.1
351.10507	0.7
551.10718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84073	0.6
51.40521	0.6
53.03928	0.9
53.59797	0.6
54.24345	0.5
54.32304	0.6
55.01871	5.0
55.05494	1.0
57.03423	20.0
59.04974	3.2
60.04486	0.8
60.42543	0.6
61.02913	6.6
69.03411	52.0
69.58834	0.7
70.06555	1.2
71.01321	2.9
71.04964	1.6
73.02898	16.2
75.04438	1.6
79.05471	3.5
81.03395	5.0
81.07034	1.2
83.01310	1.2
83.04956	2.6
84.08092	0.9
85.02887	48.7
86.09677	0.8
87.03939	1.2
87.04446	28.0
91.03929	4.7
91.05460	31.4
92.09043	3.7
93.07040	1.2
95.04926	1.6
97.02864	43.9
99.00788	23.4
99.04407	3.2
101.02354	11.7
105.03365	20.6
105.07012	7.0
106.03683	1.2
106.07360	0.7
107.04933	2.8
107.08580	1.7
108.53174	0.6
109.02882	4.9
111.04375	1.0
115.03905	36.7
117.01823	0.9
117.06931	0.7
119.03416	13.1
119.04912	32.6
119.08588	1.1
120.08106	0.9
120.76900	0.8
121.10121	1.1
123.04393	3.9
124.07584	1.3
127.03879	9.9
131.08553	1.0
133.04939	34.2
133.06483	2.5
137.05917	1.1
143.47731	0.9
145.04956	9.3
145.10106	1.3
147.04384	100.0
148.04700	1.0
150.07520	0.8
159.07970	0.9
161.04492	0.9
161.29112	0.7
162.12733	1.1
163.06013	3.0
169.04927	1.0
171.02789	4.1
213.09067	3.8
217.03409	12.2
222.14821	16.1
223.09628	3.2
223.15135	4.5
241.06923	1.1
259.07956	4.7
265.07056	3.8
267.08469	3.3
277.08920	1.0
287.05490	0.9
288.05936	1.1
295.10168	4.4
325.11111	0.9
335.05942	9.4
476.27487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97245	1.4
51.36261	1.0
51.44666	1.0
51.46972	0.9
53.03936	6.5
54.81123	1.2
55.01857	2.3
57.03422	3.3
61.02913	2.8
67.05484	5.8
69.03418	14.4
69.07048	1.5
70.06596	2.0
70.41534	1.1
71.04968	5.4
73.02895	2.8
78.04674	1.5
79.05482	20.2
81.03408	12.5
81.07044	6.8
83.04961	2.8
85.02892	34.4
85.06533	2.2
86.09694	1.7
87.04451	1.6
88.02939	1.0
88.97138	1.2
91.05459	12.0
93.07027	7.3
95.04944	33.7
95.08596	3.2
97.02865	15.4
97.06490	3.0
99.00816	2.2
99.04433	3.0
101.06013	1.7
103.05437	5.5
105.03376	32.4
105.04455	1.9
105.07017	14.5
105.07631	1.4
107.04938	35.1
107.08588	8.9
109.02856	8.4
109.06509	5.6
109.10143	7.2
110.93119	1.2
111.08103	1.6
115.05421	9.3
117.07005	16.5
119.04908	3.2
119.08549	5.1
119.14595	1.2
121.02846	12.3
121.06493	7.2
121.10102	3.0
123.04401	42.1
123.08006	1.6
124.05186	3.0
125.05986	10.1
125.09614	2.4
127.03884	5.7
128.06201	5.8
129.06990	13.2
130.06462	1.7
131.04916	6.7
131.08553	12.4
132.05692	2.7
133.06464	5.7
133.10130	7.3
135.11681	1.5
137.05952	14.3
139.03957	2.2
139.07617	1.6
140.04666	8.6
141.06989	13.4
142.07236	1.4
143.08557	6.4
144.05670	9.8
145.04906	2.0
145.05209	2.2
145.06468	34.7
145.10095	7.2
146.06920	1.7
147.04413	9.1
147.08020	3.1
149.05949	6.8
149.09599	1.6
151.03874	2.1
151.07474	2.0
152.04642	2.8
153.05441	9.0
154.06204	2.7
155.06035	3.6
155.07034	15.6
155.08318	2.5
156.05679	11.5
157.06494	8.1
158.07220	11.8
159.08055	17.2
159.09196	2.3
160.05225	2.5
160.08432	1.9
160.22353	1.6
161.05956	8.4
161.09566	6.5
163.07527	2.5
163.11163	1.9
165.05423	1.7
167.07002	97.9
168.04198	2.2
168.07672	1.7
169.06389	2.9
169.07663	1.8
170.07204	6.6
171.07901	3.0
172.05273	1.6
172.08638	3.1
173.05948	33.1
173.09557	11.8
174.06644	5.6
175.07457	7.5
177.05421	5.7
179.06972	5.6
181.04919	3.2
181.08540	6.2
182.09329	7.9
183.06487	29.7
183.07999	1.7
184.05154	1.7
184.07208	8.0
186.06659	2.2
187.07457	18.4
188.08105	2.3
189.05482	1.9
189.09067	9.0
190.06279	12.9
191.07013	5.7
192.07782	6.3
193.08572	5.9
197.05939	1.6
199.07454	2.2
200.08229	2.7
201.09058	7.4
202.06230	7.0
202.07869	1.5
202.09467	1.7
203.06981	16.9
203.08624	2.7
204.07611	2.6
205.08505	21.0
205.10004	1.5
206.07190	2.0
207.08057	1.8
207.10161	3.3
210.08836	5.5
213.09085	1.7
215.06918	1.7
217.03429	2.6
217.08542	65.1
218.07245	2.6
218.09268	11.5
219.08008	14.4
219.10103	20.6
220.08836	3.3
220.10818	7.0
221.09682	2.2
226.06187	1.6
231.08028	6.2
231.10193	6.1
232.10591	2.8
233.09564	8.9
233.11729	31.9
234.06664	2.2
234.12041	13.1
235.07455	6.4
235.09520	1.5
236.08223	6.7
237.08986	3.3
238.11948	2.8
241.08620	6.2
241.18045	1.7
245.09358	2.7
246.06714	2.8
247.07484	19.9
248.08133	11.3
248.10413	7.2
249.05368	2.0
249.09135	4.6
249.11147	7.6
251.10646	2.9
259.07617	2.9
260.08185	2.1
261.09036	11.1
262.09760	1.7
263.06946	7.7
263.10629	2.7
264.07761	12.0
265.08508	3.3
267.08624	6.9
269.08212	2.3
275.06961	7.2
276.07819	6.2
276.47256	1.3
277.08481	14.4
278.09357	5.4
279.06979	2.0
279.09982	15.6
289.08557	5.9
290.09381	2.1
291.06604	3.1
291.10068	7.7
292.07309	5.2
293.08005	6.8
293.11624	7.5
294.08838	2.3
295.09497	1.6
296.10272	2.0
305.08069	1.8
306.08810	2.6
307.09549	22.5
308.06967	1.7
308.10361	2.9
309.11148	6.8
311.12695	8.7
313.11057	1.7
315.08545	1.8
319.09564	1.5
321.11020	6.4
323.09106	2.6
323.12589	2.7
324.09683	3.1
325.10641	2.4
329.10114	7.2
337.10828	2.5
338.11292	2.8
339.12091	10.1
341.13657	3.2
344.12387	7.3
351.12253	2.9
353.13779	2.7
355.11807	1.9
359.14865	5.3
369.13205	24.7
370.14023	5.3
371.14838	54.0
372.15042	5.4
383.14688	2.1
387.14297	8.1
389.15707	13.0
401.15869	100.0
402.16495	44.4
403.17297	3.2
404.17441	2.3
419.16986	19.4
420.17703	21.1
431.17560	1.6
582.22302	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05474	2.5
71.41589	2.0
79.05490	3.9
81.07020	2.3
92.08698	4.3
92.09229	8.4
93.07028	2.7
105.07020	2.5
133.10188	2.2
169.03476	3.1
222.47963	2.1
236.03076	2.1
247.13057	4.5
499.81296	2.3
579.41754	3.0
581.38025	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31384	0.5
50.83337	0.4
52.97051	0.4
53.00289	0.8
53.03939	0.6
55.01628	0.8
55.01867	16.4
56.96551	2.1
57.03429	15.2
61.02914	28.0
67.05511	0.7
69.03417	4.7
70.06576	0.7
71.01331	6.4
73.02900	42.6
79.05485	4.1
80.59843	0.5
81.03395	2.6
81.07024	0.8
82.44064	0.6
82.76148	0.5
83.01333	4.6
83.04951	0.8
85.02902	7.6
87.04427	0.6
89.02362	2.6
91.03397	0.9
91.03934	18.7
91.04947	0.5
91.05435	4.9
92.08810	1.3
95.04939	2.9
97.02873	3.2
98.97565	4.4
99.00796	100.0
99.04425	1.1
101.02357	38.5
105.03373	17.9
105.06977	1.9
106.03705	1.3
107.04930	7.8
109.02895	0.8
110.97577	0.7
116.04955	3.2
116.70366	0.6
116.98597	1.3
117.01826	5.6
119.03400	65.0
119.04848	14.5
119.08529	1.0
121.02851	1.3
121.10089	0.6
123.04377	1.1
127.03889	2.4
128.98576	1.2
133.10086	0.9
135.04393	0.6
137.04451	2.1
137.05983	1.1
137.44560	0.6
143.00130	2.4
145.04944	1.2
147.04373	18.4
158.99594	1.0
161.01178	1.2
166.07541	0.6
171.02867	28.6
171.04276	1.1
177.00529	0.5
189.00786	0.8
189.03929	2.3
199.02464	1.0
212.08270	2.2
213.09059	8.4
215.10541	0.6
217.03403	65.3
219.01784	1.0
223.13258	1.0
230.52312	0.6
237.02838	2.7
237.09052	2.7
241.14461	0.5
247.07457	2.4
248.55972	1.9
249.07835	0.7
257.48270	0.6
265.08798	4.1
267.08646	0.8
275.07236	0.6
289.05469	2.3
293.08051	3.8
317.04810	0.9
335.06003	25.0
352.06982	2.7
405.69733	0.6
411.10483	0.9
429.11597	3.4
468.08084	1.3
595.63513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.8
55.05507	32.6
57.03425	21.3
58.79609	2.5
67.05491	84.3
69.07050	44.7
70.03019	2.5
79.05476	61.5
81.03403	4.4
81.07037	87.4
83.04964	11.9
83.08605	27.9
91.05464	28.4
92.09203	17.1
93.07029	73.2
95.04940	14.1
95.08005	4.8
95.08580	100.0
97.02855	6.4
97.06497	6.8
97.10143	5.6
104.58529	2.8
105.07008	18.3
107.04926	19.1
107.08581	52.3
109.06496	4.2
109.10120	21.3
117.06982	13.4
119.08551	18.3
121.06435	5.3
121.10133	21.0
123.11617	4.1
128.39667	2.7
133.10121	14.3
135.11670	80.1
145.10074	43.8
147.11676	3.6
158.37056	3.0
159.11728	3.5
163.11172	70.9
181.12181	6.3
227.12740	74.0
283.15326	77.9
324.84680	3.7
335.25732	7.5
337.27267	96.4
366.69696	3.6
399.88736	3.1
479.60223	3.6
545.38251	78.3
580.38739	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	580.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.1
53.03929	5.9
55.01861	5.4
55.05503	43.4
57.03176	2.1
57.03428	37.6
57.07048	1.5
57.24502	1.0
59.04982	1.9
60.11655	1.0
64.88160	1.1
65.03918	2.0
67.05492	100.0
69.03410	6.2
69.07053	22.8
69.47658	0.9
71.04976	10.3
75.32942	1.2
79.05475	79.3
81.03398	82.8
81.07037	93.6
83.04968	34.4
83.08607	32.3
85.02891	38.0
85.06531	1.8
89.30673	1.3
91.05460	67.9
92.08679	4.5
92.09311	4.6
93.07021	79.8
94.46544	1.1
95.04943	41.7
95.05518	2.4
95.08585	68.6
97.02841	2.6
97.06498	7.4
97.10143	7.5
98.34621	1.1
99.08112	1.2
105.04569	1.1
105.07011	46.5
107.04929	10.5
107.08574	38.6
109.06499	9.3
109.10151	19.4
111.04417	2.7
111.08049	12.1
113.05991	4.8
115.05461	4.3
117.07025	9.9
119.08558	34.5
121.06510	1.4
121.10125	35.5
123.08023	5.0
123.11655	7.3
125.09563	1.8
129.06958	18.1
131.08542	29.8
133.06473	5.5
133.10098	24.4
135.11670	10.0
137.09572	2.0
142.07758	7.2
145.10124	9.0
147.08083	2.1
147.11665	26.5
149.09618	10.5
149.13199	5.2
157.10127	18.8
159.11705	4.8
161.13235	2.8
163.14796	1.9
165.12689	2.6
173.13246	1.4
175.11137	20.9
193.12206	46.0
211.13243	57.5
243.20992	1.8
261.22079	7.7
264.53339	1.4
267.15878	12.7
275.09070	1.2
285.16885	64.3
285.20038	2.2
319.59320	1.4
323.68622	1.4
335.25705	81.3
527.37097	7.6
541.89856	1.2
545.38293	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30592	0.8
53.00288	1.2
53.03935	5.7
55.01861	2.7
55.05500	38.5
57.03426	36.0
57.07063	1.7
60.25635	0.9
65.03918	1.1
67.05490	93.5
69.03409	4.9
69.07056	26.7
71.04971	6.0
73.06541	0.9
79.05471	79.3
81.03400	68.3
81.07036	100.0
83.04961	23.8
83.08602	28.1
85.02889	31.8
85.06504	4.0
91.05459	63.8
92.08668	2.5
92.09251	3.4
92.64051	1.0
93.07021	79.6
95.04940	36.2
95.05511	1.8
95.08582	65.6
95.09202	2.2
97.02857	1.8
97.06496	9.0
97.10131	6.3
99.08075	2.2
105.07012	42.1
107.04941	9.9
107.08570	32.7
109.06498	8.5
109.10131	18.1
111.04418	2.5
111.08051	11.0
113.06003	1.9
117.07010	7.8
119.08549	33.3
121.10123	31.3
123.08037	4.1
123.11649	7.5
129.06961	13.5
131.08527	23.2
133.06477	2.6
133.10094	19.7
135.11690	10.9
137.09631	1.4
142.07770	2.6
145.10091	9.3
147.08078	1.6
147.11671	21.1
149.09610	6.7
149.13261	5.4
157.10106	14.6
157.30505	1.1
159.11697	6.4
161.13228	2.6
163.11143	1.4
163.14764	1.3
165.12692	1.7
167.10675	1.3
173.13188	2.5
175.11116	16.0
193.12215	34.5
211.13249	43.4
261.22058	6.5
267.15891	14.4
285.16913	42.6
317.24710	1.5
335.25729	93.0
336.25977	1.8
496.94373	1.2
527.37085	11.5
545.38239	78.0
588.64069	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96707	1.0
53.03937	1.5
53.06084	1.2
54.51275	0.9
55.01851	1.6
55.05512	16.9
57.03223	0.9
57.03433	14.4
57.07075	2.0
65.23525	1.0
67.05143	2.0
67.05495	51.0
69.03400	1.4
69.07050	20.8
71.04957	2.8
73.04719	1.1
75.79784	1.6
79.05479	40.6
81.03400	1.1
81.07041	100.0
83.04965	6.5
83.08614	14.1
84.59388	1.1
85.06522	7.9
85.67175	1.1
91.05465	27.1
92.08663	5.2
92.09287	7.6
93.07030	35.4
95.04943	4.7
95.08585	40.0
96.31386	1.4
97.06512	6.6
99.08092	2.2
105.07024	31.4
107.08591	23.8
109.06499	2.7
109.10147	11.1
117.06993	2.7
119.08560	29.7
119.62598	1.1
121.10121	25.4
123.08077	2.0
123.11693	22.8
131.08556	7.0
133.10121	7.2
135.11639	6.4
137.13336	1.6
145.10135	4.8
147.11667	40.5
147.12576	1.6
149.13229	2.8
157.10133	1.8
165.12741	14.0
169.03275	1.2
176.27046	1.2
243.20929	1.4
261.22107	6.9
267.15860	28.8
285.16895	32.6
335.25732	53.7
336.26260	1.9
383.27994	1.5
527.36993	2.7
545.38226	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59644	1.5
54.82216	2.0
55.01863	8.0
55.05262	2.1
55.05503	32.9
56.93089	1.3
57.03428	26.1
61.02902	2.9
63.90919	1.3
67.05145	2.0
67.05491	42.8
69.03413	15.1
69.07048	15.3
71.04965	10.7
71.05319	1.7
77.64629	1.2
79.05058	2.0
79.05476	43.7
79.09991	1.5
81.03400	99.5
81.07039	46.4
83.04974	12.0
83.08605	24.1
85.02892	30.7
85.06521	3.7
86.09711	1.7
91.03911	1.9
91.05460	37.4
92.08591	3.0
92.09206	10.2
93.03410	1.7
93.06485	2.4
93.07026	44.9
95.04945	36.0
95.08590	26.8
97.02899	12.1
97.06509	10.9
97.10149	24.9
99.04401	1.9
99.08104	2.4
105.03374	22.0
105.07005	34.3
107.04951	29.5
107.08579	33.3
109.02905	2.3
109.06483	27.1
109.10135	16.9
111.04433	2.3
111.08059	8.8
117.05424	2.5
117.07019	11.3
119.04887	8.0
119.08562	32.0
121.06477	20.3
121.10117	32.9
123.04390	2.2
123.08018	11.3
123.11665	2.2
125.09602	18.1
125.60661	1.6
127.03890	7.1
129.07001	16.8
131.04897	3.1
131.08546	24.9
133.06461	8.2
133.10103	12.4
135.04419	2.5
135.08035	8.5
135.11667	7.0
137.05972	2.2
137.09579	8.1
141.06979	3.1
142.07776	2.4
143.08531	3.8
145.02782	3.3
145.04921	6.5
145.06470	7.9
145.07565	1.6
145.10103	12.0
147.04396	19.9
147.08011	10.3
147.11639	20.6
149.09593	10.7
149.13234	3.3
153.09029	2.1
157.10068	15.9
159.06540	3.9
159.07964	3.9
159.11693	6.4
161.05907	2.1
161.09593	6.7
161.13216	2.5
163.03862	6.1
163.11159	7.7
163.14813	1.9
165.12753	2.1
169.10123	2.2
171.11647	2.4
173.13322	2.4
175.11139	8.7
177.05484	2.1
183.11626	1.8
185.13112	2.0
189.11177	9.4
193.12173	20.4
197.13164	2.0
199.11171	3.6
199.13115	1.9
203.17906	9.0
205.12285	2.3
211.13190	2.1
213.12747	2.5
219.13799	10.5
221.18933	7.5
222.10558	1.8
223.13231	1.9
227.12672	2.2
231.13802	1.9
233.15289	7.7
237.12598	1.6
239.20004	7.1
249.14888	2.3
255.13794	2.0
257.07513	1.6
259.15366	6.5
267.15878	44.0
273.14771	9.2
293.17392	6.0
339.22778	2.9
349.21667	3.7
357.23975	2.9
367.22519	16.9
385.23718	24.9
403.24567	8.5
441.26276	6.4
451.26791	2.3
459.27328	100.0
469.07202	1.7
477.28366	90.2
491.29666	9.3
495.29355	8.8
579.84009	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.1
54.49141	1.0
55.01863	1.8
55.05503	17.5
57.03429	3.1
57.07061	2.0
58.37593	1.1
61.02917	1.3
65.03922	1.4
66.85494	0.9
67.05489	40.4
69.03410	10.7
69.07053	27.6
71.04988	2.0
73.02884	2.4
76.57013	1.0
77.03927	1.1
79.05470	24.7
81.03397	8.7
81.07040	71.1
83.04975	2.1
83.08604	8.0
85.02892	32.8
85.06528	4.9
86.54906	1.2
91.03921	1.4
91.05460	34.3
91.60020	1.2
92.09219	6.4
93.07024	100.0
95.04947	8.5
95.08582	75.4
97.02899	10.2
97.06554	1.6
97.10139	2.5
99.04455	1.8
105.03368	24.5
105.04488	1.3
105.07010	80.1
107.08578	78.3
109.02824	4.9
109.06459	2.3
109.10139	93.4
111.08083	5.0
117.07010	2.2
119.08550	67.9
121.10122	40.1
123.04399	5.5
123.08028	1.4
123.11684	13.9
124.15821	1.4
125.09641	2.3
127.03877	7.3
131.08545	3.0
133.10100	47.4
135.11670	50.3
143.08514	1.6
145.04962	5.5
145.10101	8.6
147.11673	73.0
149.13232	2.3
151.11200	1.5
159.11661	2.5
161.13242	18.6
163.14792	2.4
165.12727	4.5
175.14803	9.2
177.16302	1.8
193.15889	1.8
197.06026	1.9
201.16438	2.1
203.17918	72.5
203.53809	1.2
206.02863	1.3
221.01872	1.4
221.18964	11.9
243.06328	1.3
249.07593	2.3
261.07751	1.7
267.08578	1.6
292.02176	1.4
365.23337	2.2
383.23929	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49876	1.2
53.00293	2.2
53.02094	1.4
53.03924	7.3
54.81679	1.4
54.82646	1.3
55.01869	17.0
55.05501	38.6
55.26548	1.2
57.03426	28.7
57.07061	3.2
59.04983	1.8
59.37260	1.4
61.02909	13.0
65.03922	3.4
67.05491	100.0
69.03418	11.1
69.07053	76.4
71.01327	2.9
71.04956	8.5
72.19492	1.4
73.02901	5.8
79.05004	1.4
79.05471	61.9
81.03392	14.7
81.07036	84.9
83.04961	11.3
83.08595	16.9
85.02885	19.2
85.06516	6.6
91.03926	2.1
91.05456	62.9
92.08999	12.0
92.09446	2.1
93.07023	67.6
95.04950	15.4
95.08580	55.6
97.02874	11.0
97.06506	24.4
97.10159	10.8
98.12402	1.4
99.04443	2.0
99.08076	1.9
103.03889	2.5
105.03385	3.0
105.07011	58.4
107.04938	16.9
107.08582	38.1
109.02856	1.6
109.06461	12.0
109.10144	40.1
111.04418	1.7
111.08043	7.9
117.06995	19.6
119.04881	1.6
119.08547	42.7
121.06450	7.2
121.10104	19.4
123.04300	1.6
123.08036	9.2
123.11675	6.6
125.09589	9.4
127.03902	3.6
128.06219	2.7
129.06975	7.0
130.07773	1.9
131.08539	22.9
133.06445	2.8
133.10094	35.9
135.08000	7.2
135.11662	14.2
137.09573	8.9
141.06921	1.8
143.08517	6.2
145.10097	24.4
147.04425	3.5
147.08029	1.6
147.11671	16.9
149.09596	24.3
149.13240	5.9
151.11153	3.2
155.08519	3.1
157.10085	5.9
159.08023	1.9
159.11676	20.2
161.09529	2.6
161.13235	7.3
163.11154	15.3
168.09283	1.6
168.37173	1.6
169.10117	3.1
171.10101	10.2
171.11641	8.6
173.11690	9.0
173.13222	9.6
175.14793	1.9
177.12701	3.3
179.14272	2.6
183.11662	2.7
187.11147	3.5
189.08775	1.7
189.11090	1.9
197.13359	1.7
229.14273	23.3
229.19406	3.4
230.75882	1.7
239.17902	2.7
243.15833	5.9
247.20581	2.4
253.17891	2.9
255.15935	2.2
257.18903	8.8
267.15726	1.6
269.17429	2.1
271.15030	1.9
273.18506	2.9
275.19998	39.3
291.19409	6.1
297.16998	3.2
348.22931	2.0
349.23666	94.4
367.24603	7.5
598.41718	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26978	1.3
53.03930	2.9
55.01848	1.4
55.05494	14.8
55.17455	1.8
57.03419	3.5
57.07059	1.7
59.40242	1.2
61.02893	3.2
67.05489	35.2
69.03420	13.0
69.07050	12.8
70.26368	1.2
71.04961	1.5
73.02883	1.6
79.05470	20.4
81.03393	3.6
81.07032	77.8
83.08607	2.4
85.02886	59.3
91.05446	25.9
92.09129	3.6
93.07018	54.4
94.51614	1.3
95.04951	2.1
95.08577	95.7
97.02876	14.7
97.06486	1.7
97.10130	2.9
99.04459	1.9
103.05414	1.3
105.03374	11.7
105.07008	95.4
107.08566	76.1
109.02835	6.3
109.10138	60.4
117.06964	2.1
119.08553	64.1
121.10110	30.3
123.11679	13.1
125.09653	1.8
127.03880	11.4
131.08545	2.4
133.10101	39.4
135.11624	16.1
145.04939	11.9
145.10109	8.4
147.11649	65.6
149.13249	3.4
159.11618	2.5
161.13197	17.4
163.05963	2.5
163.14783	15.1
175.14815	7.2
177.16359	1.9
198.71782	1.6
203.17917	100.0
221.18968	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	580.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.3
53.03719	0.2
53.03938	3.1
55.01852	0.8
55.05505	1.3
55.82538	0.1
57.03432	1.7
61.02898	1.1
67.05486	2.7
68.66116	0.2
69.03413	7.4
69.07057	1.2
71.04977	1.3
73.02893	0.4
77.03909	0.7
79.05471	6.2
81.03397	13.4
81.07034	4.1
81.67077	0.1
83.04958	0.8
83.08597	0.9
85.02885	10.9
85.06520	0.7
86.14803	0.2
87.04415	0.2
91.03931	0.3
91.05455	2.0
92.08803	0.5
93.07027	2.4
95.04945	6.4
95.08571	3.1
97.02863	8.9
97.06481	0.6
97.10130	0.8
99.04425	2.1
105.03368	100.0
105.06994	3.5
106.03698	0.8
107.04922	1.1
107.08578	2.1
108.04492	0.2
109.02853	6.9
109.06495	0.9
109.10133	2.4
111.08015	0.2
117.06994	1.3
119.04913	0.6
119.08543	2.9
121.06509	0.8
121.10128	1.8
123.04395	8.2
123.08038	0.3
123.11647	0.4
125.09595	0.4
127.03881	6.6
129.06970	0.8
131.04872	0.3
131.08554	1.3
133.06485	0.2
133.10092	1.5
135.08029	0.3
135.11668	0.4
145.02850	0.2
145.04930	2.7
145.06009	0.2
145.06500	0.2
145.10040	1.1
147.04378	2.5
147.08093	0.2
147.11687	1.8
149.05968	0.2
149.09586	0.3
149.13237	0.2
153.09097	0.2
157.10107	0.7
159.11650	0.3
161.09529	0.2
161.13240	0.8
163.05962	0.7
163.11105	0.3
165.12708	0.2
173.09660	0.2
175.11197	0.2
177.05412	0.2
189.05432	0.4
193.12180	0.4
201.05473	0.3
201.16539	0.2
203.17914	1.8
219.06517	1.2
219.13853	0.3
221.19002	0.7
231.06517	0.3
237.07518	3.0
239.20030	0.2
249.07513	16.7
260.01944	0.2
267.08572	14.4
267.15875	1.1
273.14880	0.2
340.36316	0.2
367.22604	0.2
383.23434	0.2
385.23718	0.7
403.24179	0.2
458.79187	0.2
459.27298	2.2
477.28220	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.4
53.65637	0.7
55.01864	1.2
55.05489	5.3
57.03410	4.7
57.07046	1.3
61.02901	2.1
67.05191	1.0
67.05496	16.2
69.03127	0.8
69.03418	13.0
69.07050	7.8
69.08333	0.7
71.04959	4.3
71.08617	1.1
73.02905	1.1
79.05467	18.8
81.03385	5.4
81.07037	35.9
83.04950	1.9
83.08582	1.2
85.02886	34.8
85.06493	0.8
91.03931	1.1
91.05459	23.1
92.08791	4.2
92.09359	1.6
93.07020	38.9
95.04930	4.9
95.08575	33.4
97.02866	13.2
97.06485	3.4
99.04423	1.6
101.58876	0.8
103.05359	1.1
105.03381	5.0
105.07010	68.4
107.08573	46.7
109.02847	4.6
109.06487	1.7
109.10136	29.2
109.72946	0.8
111.04417	0.9
111.08076	1.4
115.05465	1.3
117.06988	16.5
119.08557	41.5
121.02845	11.1
121.10120	17.9
123.11634	1.5
125.09599	11.5
127.03880	6.6
128.06210	1.3
129.06978	3.3
130.07744	3.7
130.54124	0.9
131.08537	37.4
133.10100	25.0
135.11678	15.5
143.08534	4.5
144.09306	3.9
145.04945	8.6
145.10095	100.0
146.10759	1.2
147.04367	1.8
147.11659	6.6
149.09550	1.1
149.13240	3.4
157.10104	5.3
158.10817	1.8
159.11659	45.6
161.13226	20.2
163.05963	1.3
163.11151	5.8
163.14760	1.9
167.07024	4.3
173.13208	25.9
175.14888	1.4
181.04965	1.0
191.17946	3.5
199.14813	1.9
201.16341	88.9
203.17911	1.9
219.17406	35.2
237.18341	1.7
363.21451	1.7
365.90201	0.9
373.12854	1.7
417.11749	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	579.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.6
55.01865	3.8
55.05502	20.8
57.03423	11.0
57.07057	3.7
59.04982	2.0
59.09104	1.9
61.02908	8.8
64.32923	1.8
67.05487	30.6
69.03417	29.0
69.05183	1.8
69.07056	22.3
71.04971	8.5
73.02879	2.2
78.48675	1.6
79.05478	35.9
81.03394	16.6
81.07036	80.8
83.04974	17.0
83.08612	8.2
84.08133	4.3
85.02888	69.1
85.06529	8.0
87.04473	2.1
91.03952	2.3
91.05456	41.6
91.74710	1.5
92.08747	7.1
93.07021	77.4
94.07346	2.8
95.04943	24.3
95.08585	78.8
97.02892	27.1
97.06528	13.0
97.10148	3.0
99.04458	5.7
105.03382	31.0
105.07012	100.0
106.03709	2.1
106.07370	2.3
107.04938	4.2
107.08575	74.4
109.02872	9.9
109.06512	16.8
109.10139	38.0
111.08076	8.3
117.03368	9.7
117.07009	20.0
119.08562	62.2
120.08858	2.6
121.06503	4.3
121.10114	44.6
122.10461	1.8
123.04423	4.2
123.08064	7.5
123.11702	12.4
125.09615	14.5
127.03910	14.9
129.06998	3.1
130.07797	12.6
131.08548	43.1
133.10107	51.2
133.11043	3.3
135.08032	3.7
135.11665	20.5
137.05978	10.0
137.09679	2.6
137.13196	2.4
139.11122	2.3
140.33995	1.7
143.08594	4.2
144.09296	4.2
145.02817	20.2
145.04945	8.0
145.08969	3.7
145.10106	86.4
146.10519	3.7
147.04431	2.7
147.11649	22.9
149.05901	1.9
149.09653	2.3
149.13251	6.9
151.11177	3.1
157.10120	9.5
158.10886	2.7
159.11661	62.4
160.11911	2.2
161.13252	16.5
163.03906	2.8
163.11191	2.2
167.06958	14.8
171.11684	2.9
173.13210	15.9
175.14746	13.2
177.05412	31.9
177.12756	2.3
177.16444	2.6
181.04980	2.5
189.16333	2.9
191.17915	7.3
199.14856	2.2
201.16360	58.8
202.16783	9.4
203.17924	3.6
209.15370	3.9
213.05540	2.0
219.17403	28.8
237.18510	7.2
354.83340	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.6
55.01865	3.8
55.05502	20.8
57.03423	11.0
57.07057	3.7
59.04982	2.0
59.09104	1.9
61.02908	8.8
64.32923	1.8
67.05487	30.6
69.03417	29.0
69.05183	1.8
69.07056	22.3
71.04971	8.5
73.02879	2.2
78.48675	1.6
79.05478	35.9
81.03394	16.6
81.07036	80.8
83.04974	17.0
83.08612	8.2
84.08133	4.3
85.02888	69.1
85.06529	8.0
87.04473	2.1
91.03952	2.3
91.05456	41.6
91.74710	1.5
92.08747	7.1
93.07021	77.4
94.07346	2.8
95.04943	24.3
95.08585	78.8
97.02892	27.1
97.06528	13.0
97.10148	3.0
99.04458	5.7
105.03382	31.0
105.07012	100.0
106.03709	2.1
106.07370	2.3
107.04938	4.2
107.08575	74.4
109.02872	9.9
109.06512	16.8
109.10139	38.0
111.08076	8.3
117.03368	9.7
117.07009	20.0
119.08562	62.2
120.08858	2.6
121.06503	4.3
121.10114	44.6
122.10461	1.8
123.04423	4.2
123.08064	7.5
123.11702	12.4
125.09615	14.5
127.03910	14.9
129.06998	3.1
130.07797	12.6
131.08548	43.1
133.10107	51.2
133.11043	3.3
135.08032	3.7
135.11665	20.5
137.05978	10.0
137.09679	2.6
137.13196	2.4
139.11122	2.3
140.33995	1.7
143.08594	4.2
144.09296	4.2
145.02817	20.2
145.04945	8.0
145.08969	3.7
145.10106	86.4
146.10519	3.7
147.04431	2.7
147.11649	22.9
149.05901	1.9
149.09653	2.3
149.13251	6.9
151.11177	3.1
157.10120	9.5
158.10886	2.7
159.11661	62.4
160.11911	2.2
161.13252	16.5
163.03906	2.8
163.11191	2.2
167.06958	14.8
171.11684	2.9
173.13210	15.9
175.14746	13.2
177.05412	31.9
177.12756	2.3
177.16444	2.6
181.04980	2.5
189.16333	2.9
191.17915	7.3
199.14856	2.2
201.16360	58.8
202.16783	9.4
203.17924	3.6
209.15370	3.9
213.05540	2.0
219.17403	28.8
237.18510	7.2
354.83340	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93487	1.0
53.03920	2.3
55.01875	1.5
55.05263	1.0
55.05488	10.3
57.03411	2.7
57.07050	2.1
61.02895	5.2
63.28624	1.1
67.05494	22.4
69.03415	19.1
69.07044	11.4
70.06572	1.3
71.04966	6.8
73.02909	1.5
79.05475	14.0
81.03387	7.6
81.07035	35.9
83.04964	6.3
83.08594	2.1
85.02893	49.1
85.06525	2.2
87.04425	1.9
91.05467	23.6
93.07022	38.7
95.04959	2.4
95.08583	36.2
97.02872	14.8
97.06499	6.4
99.04491	1.5
105.03396	13.7
105.07013	72.4
107.04909	1.6
107.08576	50.2
109.02863	5.7
109.06477	2.3
109.10145	28.9
111.08067	3.1
113.02769	1.3
115.05336	1.8
117.06983	17.2
119.04919	2.0
119.08558	41.6
121.02847	24.9
121.06462	1.8
121.10102	17.9
123.08023	2.0
123.11700	2.7
125.09631	16.1
127.03909	15.7
127.11119	1.4
129.07005	2.4
130.07751	6.0
131.08543	35.7
133.09167	2.2
133.10112	37.2
135.08032	2.6
135.11688	14.8
137.09586	1.7
143.08553	5.3
143.10658	2.3
144.09267	4.9
145.02785	1.9
145.04977	10.2
145.06424	1.7
145.10107	100.0
147.04350	7.2
147.11681	6.7
149.13200	5.0
151.11095	1.5
157.10080	5.3
158.10844	2.6
159.11665	49.3
161.13211	25.4
163.05927	1.8
163.11188	4.8
163.14780	2.5
165.33937	1.4
167.06987	2.1
173.13213	30.4
175.03876	4.7
175.14717	1.8
177.05481	4.7
177.12793	1.7
191.14241	10.7
191.17897	5.1
191.19930	1.2
199.14767	1.3
201.16356	92.6
203.17899	2.4
207.06517	9.8
219.17419	39.6
235.03659	1.4
237.18365	2.4
249.07559	1.8
281.10107	1.9
311.09189	1.3
363.21442	3.2
373.12622	3.0
394.98926	1.5
399.10315	2.1
417.11612	18.1
579.18823	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.1
51.02366	0.1
52.10484	0.1
53.03936	2.9
54.16917	0.1
54.82165	0.1
55.01857	0.5
55.05486	0.1
57.03423	1.0
57.93944	0.1
59.04974	0.1
61.02909	0.8
62.01582	0.1
64.05107	0.1
67.03259	0.1
67.05495	0.1
69.03410	6.4
69.07040	0.1
71.01348	0.1
71.04967	1.1
72.04754	0.1
73.02892	0.2
77.03891	0.7
79.05468	3.4
79.05898	0.2
81.03395	15.0
81.07036	0.4
83.01307	0.1
85.02882	9.6
87.04432	0.1
91.05457	0.2
92.09139	0.5
93.07018	0.4
95.04318	0.2
95.04939	4.6
95.08577	0.2
96.24310	0.1
97.02865	9.2
99.04430	2.4
101.02330	0.2
105.03368	100.0
106.03703	0.2
107.08572	0.2
109.02855	10.6
116.04934	0.2
119.08574	0.1
121.10096	0.2
123.04400	7.3
123.11704	0.1
127.03889	6.4
131.08560	0.1
133.10144	0.2
135.86882	0.1
145.04948	1.6
145.10062	0.2
158.06007	0.1
159.11526	0.1
195.06477	0.5
201.16312	0.1
219.17339	0.2
231.06462	1.6
249.07509	23.1
267.08569	16.4
324.85168	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73405	0.2
53.03938	3.5
55.01871	0.3
57.03423	0.9
59.77098	0.2
61.02893	0.3
69.03068	0.3
69.03418	7.0
71.04993	0.8
73.02912	0.3
77.03910	0.4
77.92412	0.2
79.05470	5.9
81.03396	13.3
81.07018	0.2
85.02889	9.3
88.98251	0.2
91.05515	0.2
92.08752	1.0
95.04942	5.3
97.02869	7.1
99.04408	1.9
105.03375	100.0
106.03650	0.2
108.04450	0.3
109.02864	7.8
121.10142	0.2
123.04408	10.0
127.03889	4.9
137.97591	0.2
145.04942	1.5
158.06029	0.5
165.05542	0.2
227.66698	0.2
231.06529	1.1
249.07521	15.4
250.07884	0.2
267.08582	18.0
286.58926	0.2
350.38770	0.2
376.18112	0.2
393.34595	0.3
400.13675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.3
55.01857	0.8
55.05480	0.4
57.03408	0.9
61.02905	0.5
65.03906	0.9
67.05466	1.2
69.03416	2.6
69.07039	0.4
71.04960	0.5
73.02898	0.3
78.04698	2.3
79.05473	1.8
81.03402	1.6
81.07014	2.5
82.04160	0.3
83.04925	0.3
85.02891	3.8
87.04452	0.3
91.05447	1.9
92.08692	0.2
93.07034	2.1
95.04951	1.5
95.08595	1.5
97.02869	1.5
97.06457	0.3
98.91582	0.2
99.04409	0.4
103.05446	0.8
105.03368	1.5
105.06355	0.3
105.07007	3.4
106.04144	1.2
107.04924	1.6
107.08579	2.2
109.02821	0.8
109.10143	2.1
110.03634	0.4
111.04433	0.3
115.05450	3.0
117.06995	7.4
119.08553	2.1
121.02825	1.3
121.10142	0.8
123.04411	5.8
123.08018	0.2
124.05198	2.0
125.05963	0.5
125.09588	0.3
127.03899	0.7
127.05374	0.5
131.04886	0.3
131.08533	2.0
133.06493	0.3
133.10103	1.8
134.03577	0.3
135.04417	0.3
135.11621	0.5
135.24980	0.2
137.05960	0.5
138.03088	0.2
142.02538	0.4
143.04903	0.2
145.06464	10.1
145.10103	4.3
147.04437	0.5
147.08026	0.3
151.03906	0.9
152.04703	2.4
153.05417	0.3
155.06003	3.9
155.07149	0.3
159.11673	2.3
161.06030	0.3
161.13228	0.5
163.03786	0.2
167.06998	100.0
168.07382	0.4
171.06480	1.2
173.05940	19.3
173.13246	1.3
175.07484	0.5
181.04912	22.9
189.05322	0.3
191.06926	0.3
201.05399	1.0
201.16328	4.9
205.08589	3.9
219.17378	1.6
233.08038	3.8
235.09554	2.8
259.06012	0.2
337.11157	0.3
387.14282	8.7
417.15643	5.0
552.01849	0.2
579.20593	34.1
580.20776	0.4
584.74719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.3
55.01857	0.8
55.05480	0.4
57.03408	0.9
61.02905	0.5
65.03906	0.9
67.05466	1.2
69.03416	2.6
69.07039	0.4
71.04960	0.5
73.02898	0.3
78.04698	2.3
79.05473	1.8
81.03402	1.6
81.07014	2.5
82.04160	0.3
83.04925	0.3
85.02891	3.8
87.04452	0.3
91.05447	1.9
92.08692	0.2
93.07034	2.1
95.04951	1.5
95.08595	1.5
97.02869	1.5
97.06457	0.3
98.91582	0.2
99.04409	0.4
103.05446	0.8
105.03368	1.5
105.06355	0.3
105.07007	3.4
106.04144	1.2
107.04924	1.6
107.08579	2.2
109.02821	0.8
109.10143	2.1
110.03634	0.4
111.04433	0.3
115.05450	3.0
117.06995	7.4
119.08553	2.1
121.02825	1.3
121.10142	0.8
123.04411	5.8
123.08018	0.2
124.05198	2.0
125.05963	0.5
125.09588	0.3
127.03899	0.7
127.05374	0.5
131.04886	0.3
131.08533	2.0
133.06493	0.3
133.10103	1.8
134.03577	0.3
135.04417	0.3
135.11621	0.5
135.24980	0.2
137.05960	0.5
138.03088	0.2
142.02538	0.4
143.04903	0.2
145.06464	10.1
145.10103	4.3
147.04437	0.5
147.08026	0.3
151.03906	0.9
152.04703	2.4
153.05417	0.3
155.06003	3.9
155.07149	0.3
159.11673	2.3
161.06030	0.3
161.13228	0.5
163.03786	0.2
167.06998	100.0
168.07382	0.4
171.06480	1.2
173.05940	19.3
173.13246	1.3
175.07484	0.5
181.04912	22.9
189.05322	0.3
191.06926	0.3
201.05399	1.0
201.16328	4.9
205.08589	3.9
219.17378	1.6
233.08038	3.8
235.09554	2.8
259.06012	0.2
337.11157	0.3
387.14282	8.7
417.15643	5.0
552.01849	0.2
579.20593	34.1
580.20776	0.4
584.74719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.9
53.03935	3.8
54.81714	1.5
55.01869	3.5
55.05507	31.1
57.03433	18.8
57.07062	1.6
65.03945	1.9
67.05141	2.9
67.05498	81.3
69.03403	1.5
69.07054	23.1
71.04977	3.0
73.77608	1.5
74.72520	1.4
79.05481	72.9
81.03378	3.1
81.07043	85.7
83.04964	7.3
83.08606	20.5
91.05458	26.6
92.08670	7.0
92.09284	8.1
93.07031	97.3
95.04967	16.3
95.08590	100.0
97.02872	3.1
97.06520	10.1
99.04443	6.6
103.53969	1.6
105.07023	22.5
107.04955	17.5
107.08587	63.4
109.06541	2.6
109.10136	16.8
111.04427	3.7
117.07003	18.6
119.08592	21.2
121.06519	11.0
121.10134	29.1
123.11676	3.3
125.05998	3.1
131.08563	9.4
133.10100	9.2
135.11685	82.7
144.86217	1.7
145.10112	53.1
149.93675	1.7
159.11705	3.2
163.11151	95.8
181.12212	14.8
227.12750	73.0
261.22049	6.2
283.15341	74.0
335.25760	97.6
543.36786	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02710	0.4
51.21785	0.4
55.01862	2.5
65.03910	0.5
65.96137	0.4
67.05495	0.6
68.99778	5.2
69.03402	0.7
78.01476	0.4
78.36099	0.4
79.05447	0.6
81.03384	2.7
85.02877	1.8
89.03886	1.0
95.04939	2.3
97.02863	1.0
99.04426	0.8
105.03399	0.8
107.04935	3.9
109.02887	3.9
111.00784	2.8
111.04433	2.9
117.03349	1.1
118.63688	0.4
119.04921	2.6
121.02848	2.7
123.04402	39.9
127.03889	100.0
131.04904	2.6
131.08492	0.5
135.04390	39.0
137.02315	3.0
137.05995	0.8
139.03880	43.9
141.01816	0.6
141.07018	0.6
143.04901	1.7
145.02783	0.6
145.06499	0.7
147.04356	5.9
149.02296	5.1
149.05951	2.6
151.03888	7.8
153.06998	0.7
155.04855	0.7
159.04401	5.2
161.05995	3.6
163.03865	43.7
165.05438	4.7
167.03377	8.5
169.06473	2.3
171.04320	0.8
173.05934	4.4
175.03888	4.0
177.05418	5.1
179.03377	3.4
181.04807	0.6
181.06369	0.8
183.04462	0.8
185.05939	1.1
187.03827	6.8
189.05438	2.4
191.03360	12.5
193.04945	3.6
195.10405	0.5
197.05978	4.8
201.05455	7.8
203.03358	8.1
203.07013	2.3
205.04987	2.8
207.06517	0.9
213.05385	1.8
215.03355	1.7
215.07059	4.0
217.04951	1.0
225.05467	0.6
229.04886	8.0
231.06439	0.7
233.04417	4.5
237.14757	0.7
241.04874	2.1
243.06430	4.6
245.04387	7.0
247.05951	10.7
251.05330	0.9
253.04901	0.9
255.06419	2.0
257.04410	8.1
258.04871	0.6
259.05975	5.6
269.04428	2.1
271.05954	14.7
273.07584	0.9
275.05423	10.1
281.07718	0.5
283.05927	5.1
287.05457	16.9
289.06989	9.4
291.08566	8.9
299.05444	1.9
301.07080	6.3
302.48605	0.5
303.08701	0.7
409.09055	14.7
411.10593	1.8
427.10196	4.8
435.10938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.3
53.03932	5.8
53.26313	1.1
53.50468	1.0
55.01862	6.4
55.05504	31.8
57.03425	18.0
57.07065	3.2
59.94312	1.1
61.52882	1.2
64.33385	1.2
65.03930	2.8
67.05489	77.3
67.05849	2.9
69.07048	23.7
71.04978	3.1
79.05469	66.1
81.03382	2.7
81.07037	76.8
83.04963	5.9
83.08588	15.3
85.06542	1.8
91.05460	26.4
92.08831	7.6
93.07021	85.4
95.04935	10.8
95.08583	85.4
97.02856	3.3
97.06509	8.7
97.10115	1.9
99.04443	6.0
105.07021	19.6
107.04926	11.2
107.08572	47.3
109.06506	3.2
109.10143	16.7
111.08076	1.7
117.06984	17.2
119.08556	27.6
120.08903	2.1
121.06478	6.5
121.10121	22.4
123.11697	2.6
125.05979	3.0
125.69191	1.3
131.08566	7.0
133.10065	10.9
135.08060	2.2
135.11665	63.7
139.07500	2.4
145.10110	43.3
147.11610	4.5
149.13200	2.9
149.96727	1.6
159.11639	1.4
161.13274	2.6
163.11137	61.6
173.13177	2.2
181.12227	10.2
214.14606	1.7
227.12738	51.0
261.22055	5.7
283.15320	33.5
335.25732	100.0
363.15234	1.6
388.69324	1.5
509.57553	1.5
543.36713	64.9
543.45233	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01870	13.3
55.05511	27.0
57.03431	28.5
57.07085	2.1
59.04994	26.0
60.17893	1.4
61.02922	14.3
61.07166	1.5
67.05144	2.1
67.05493	52.0
69.03422	27.2
69.06233	1.4
69.07067	12.9
71.01353	1.8
71.04979	12.5
73.02900	4.0
73.06535	1.7
73.92966	1.3
79.05474	35.3
81.03407	69.6
81.07045	50.7
83.04971	15.2
83.08604	17.9
83.30928	1.6
85.02892	100.0
85.06522	3.2
87.04459	24.8
91.03959	2.7
91.05469	35.4
92.08902	6.2
93.07030	34.1
93.60070	1.6
95.04962	29.2
95.08581	31.8
97.02870	29.0
97.06524	8.5
97.10172	14.5
99.04440	8.9
105.03374	37.9
105.04472	1.8
105.07019	26.3
107.04950	10.5
107.08569	22.4
109.02874	10.7
109.06522	9.2
109.10138	35.2
111.04452	2.6
111.08047	6.4
113.05986	3.7
115.03923	1.6
116.04681	1.6
117.07004	8.0
119.08562	23.0
121.06486	3.2
121.10157	21.5
123.08055	2.9
123.11665	2.4
125.09654	13.4
127.03880	19.6
129.05478	12.5
129.06970	11.2
131.08569	14.7
133.06519	2.6
133.10059	13.0
135.11702	16.2
137.09576	4.0
137.13251	7.4
143.07048	2.2
143.08569	2.2
145.04924	28.1
145.10109	9.9
147.08006	2.5
147.11653	7.3
149.09590	3.8
153.12799	2.3
157.08701	4.3
157.10133	11.0
159.11783	2.2
163.06030	7.7
163.11145	9.5
167.27089	1.5
171.10287	1.7
171.11665	1.9
173.11760	6.3
175.11163	8.9
181.12294	2.6
189.11200	3.6
191.17902	13.6
193.10693	1.9
193.12155	14.3
201.16414	2.0
211.13304	10.8
219.17471	7.4
227.12804	3.5
229.14355	13.8
237.18546	2.1
267.15881	23.9
285.17010	9.1
301.16348	12.9
349.24045	2.3
383.11389	6.1
439.26685	12.0
475.26709	3.4
493.27765	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	578.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37970	0.7
50.47050	0.6
53.03931	4.4
55.01867	6.5
55.05505	12.1
57.03176	0.8
57.03428	13.5
57.07067	1.2
59.04768	0.8
59.04993	12.8
61.02910	11.1
67.05492	25.7
69.03030	0.6
69.03412	24.3
69.07056	8.1
71.04977	7.1
73.02888	4.5
79.05474	14.5
81.03397	27.7
81.06549	1.0
81.07035	37.8
83.04956	6.6
83.08598	9.3
85.02888	100.0
85.06531	3.0
87.04443	12.9
91.03933	3.9
91.05454	15.8
92.09040	0.8
93.07021	16.5
95.04959	11.9
95.08576	21.1
96.15984	0.7
97.02862	31.1
97.06520	2.9
97.10140	5.0
98.07317	0.8
99.04440	7.3
99.08112	0.8
105.03374	20.5
105.07014	14.3
106.07378	0.7
107.04919	4.6
107.08575	15.2
109.02824	7.0
109.06503	3.5
109.10139	23.4
111.04452	1.2
111.08049	4.8
113.05980	3.6
115.03876	0.9
116.04675	1.5
117.07029	1.2
119.08539	10.1
121.06488	1.5
121.10104	12.0
122.59894	0.7
123.08060	1.7
123.11681	3.6
123.45254	0.7
125.09609	3.0
127.03883	19.7
127.07569	1.1
129.05450	4.0
129.06976	4.7
131.08517	5.0
133.10091	6.4
135.08005	1.2
135.11668	9.3
137.09575	3.6
137.13252	6.5
143.08496	1.3
145.04944	24.9
145.10098	3.6
147.11661	6.0
149.09641	1.6
149.13354	1.1
153.12715	1.2
155.10654	3.0
157.08653	1.1
157.10054	2.8
159.11620	1.7
163.05977	6.6
163.11194	3.9
165.12793	0.9
171.11562	0.9
173.11736	1.8
173.13136	0.9
175.11143	3.9
177.16406	0.9
181.12164	1.4
189.11198	1.2
190.60616	0.7
191.17905	13.6
193.12207	7.1
199.13194	1.6
201.16447	1.8
211.13306	4.5
219.17328	8.6
227.12672	1.1
229.14175	5.8
237.18469	1.8
249.39073	0.9
257.81573	0.7
259.20563	0.8
267.15775	9.4
285.16882	4.5
295.31134	1.1
301.16367	4.6
349.23563	1.4
383.11203	3.4
439.26596	5.6
443.42654	0.8
493.27652	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	578.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	0.8
53.03923	4.1
53.27390	0.7
55.01856	2.1
55.05504	9.0
57.03429	6.3
57.07063	3.3
59.95675	0.7
61.02908	7.2
64.86975	0.8
65.03930	1.0
67.05147	1.3
67.05491	29.3
69.03130	1.0
69.03419	16.3
69.07046	10.5
71.04958	3.7
71.08588	1.4
72.08128	1.0
73.02876	1.7
73.32452	0.8
79.05472	18.0
81.03394	9.6
81.07034	30.9
83.04941	3.8
83.08599	3.5
84.08112	2.1
84.85826	1.0
85.02886	57.5
87.03592	0.8
90.28075	0.7
91.03930	1.5
91.05459	36.5
92.05801	0.8
92.08939	3.4
93.07021	30.1
95.04938	4.4
95.08578	36.6
97.02853	16.5
97.06480	1.9
99.04410	1.8
103.05444	2.0
105.03374	5.9
105.07007	61.2
107.04912	1.0
107.08570	29.1
109.02864	5.6
109.06492	4.1
109.10137	45.8
111.08019	1.0
115.05406	1.3
116.06223	1.0
117.06990	18.9
119.08550	56.0
121.06459	1.5
121.10114	11.9
123.07980	1.2
123.11640	2.1
125.09608	1.2
127.03889	10.6
129.06995	2.1
130.07762	5.1
131.08534	36.5
133.10106	15.5
135.11678	5.3
137.09613	10.8
143.08496	6.4
143.44464	1.0
144.09364	3.4
145.04938	12.0
145.10098	100.0
147.11671	8.1
149.09615	1.4
151.11349	0.8
155.08545	1.0
157.10060	3.9
158.10843	1.0
159.11656	32.3
161.13208	8.9
163.05988	3.1
163.11131	1.2
167.06996	1.0
169.10136	0.9
171.11647	1.6
173.13194	10.5
175.14807	12.0
177.16341	1.5
180.08752	9.7
191.17841	1.1
191.37201	0.9
199.14819	1.0
201.16350	39.2
203.17830	1.3
211.14766	0.9
219.17381	13.9
229.44601	0.9
230.59294	0.9
238.05922	1.0
294.83905	0.9
325.10938	1.1
327.19397	1.0
363.21524	1.3
431.34045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25220	0.7
53.03934	3.6
53.94714	0.7
55.01854	4.2
55.05489	5.3
57.03417	5.9
57.07070	1.2
57.72198	0.8
61.02918	10.1
62.91967	0.8
65.03932	1.1
67.05485	14.6
69.03409	21.3
69.07052	10.4
71.04959	3.8
71.84395	0.8
73.02890	5.7
79.05471	11.0
79.64294	0.9
81.03396	11.8
81.07037	23.6
83.04951	2.0
83.08605	1.6
85.02887	100.0
91.03931	3.6
91.05457	15.5
92.08835	3.7
93.07021	26.2
95.04936	5.9
95.08582	22.3
97.02253	1.7
97.02868	33.7
97.06503	2.2
99.04436	5.2
105.03381	11.7
105.04463	1.0
105.07008	57.5
107.04861	1.0
107.08578	24.5
109.02847	8.4
109.06483	3.8
109.10138	22.4
111.08096	1.4
117.06980	10.1
119.04900	1.2
119.08556	44.5
121.06461	1.7
121.10106	12.4
123.04412	1.9
123.08025	1.4
123.11696	1.2
127.03888	20.1
129.06921	1.4
130.07741	5.8
131.08540	31.2
133.10109	22.6
134.09329	1.1
135.08081	3.3
135.11658	4.1
137.09593	1.3
143.08490	6.7
144.09302	6.0
145.02760	1.1
145.04938	19.7
145.10100	65.5
147.04349	1.2
147.11621	4.8
149.05963	1.6
153.01804	1.6
157.10083	5.4
158.10832	2.1
159.07967	1.0
159.11661	36.9
161.09637	1.4
161.13203	12.6
163.05986	6.5
163.11115	4.5
163.14749	1.7
167.06987	1.0
171.11673	3.8
173.13217	43.4
175.14822	1.7
177.05400	1.2
186.03801	1.1
191.14215	5.2
199.14821	1.7
201.16357	57.9
203.17995	1.1
219.13832	13.2
219.17392	17.4
249.07494	1.0
267.08600	1.1
325.10880	0.9
345.20520	1.1
363.21667	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.7
53.03934	4.6
55.01872	2.1
55.05290	0.8
55.05505	10.9
56.02170	0.8
57.03430	8.0
57.07069	1.3
59.04985	1.0
61.02916	8.4
67.05496	30.4
69.03416	26.6
69.07056	14.7
71.04969	5.3
71.08634	0.8
73.02895	4.5
79.05478	22.1
81.03407	11.0
81.07041	43.8
83.04970	1.6
83.08601	4.8
85.02893	85.3
85.06503	1.7
85.30547	0.9
87.04449	2.1
91.03920	4.3
91.05460	32.6
92.09167	0.9
93.07027	52.6
95.04944	7.6
95.08585	43.9
97.02875	26.6
97.06494	3.3
97.10146	1.2
99.04421	3.7
103.05464	1.7
105.03378	8.7
105.07017	84.5
107.08582	54.0
109.02856	11.3
109.06532	6.6
109.10147	36.0
111.04428	1.1
111.08041	1.2
115.05429	1.3
116.06224	1.1
117.07001	24.9
119.08566	61.0
121.06467	3.4
121.10128	29.3
123.04476	1.1
123.08054	1.8
123.11665	4.8
125.09592	1.5
127.03889	16.6
128.06236	1.6
129.06975	4.2
130.07794	8.4
131.08540	44.2
133.10112	29.6
135.04306	1.2
135.08009	1.3
135.11673	9.8
137.09602	1.0
139.07454	1.0
139.11172	0.8
143.08549	8.5
144.09332	5.2
145.04942	19.4
145.10110	100.0
146.10805	1.0
147.04361	1.1
147.08076	1.0
147.11632	9.6
149.09645	1.8
149.13240	8.7
151.11145	0.9
153.01756	1.8
155.08490	1.1
157.10065	7.5
158.10880	0.9
159.10364	2.1
159.11668	50.1
161.13251	19.5
163.06004	5.5
163.11134	7.2
163.14801	1.1
171.11685	3.2
173.13225	20.5
175.14783	6.0
191.14272	1.2
191.17937	4.0
199.14821	1.5
201.16362	92.8
203.17770	1.1
217.15742	1.2
219.17415	30.1
237.18466	3.4
287.05151	0.8
314.95081	0.8
325.11200	1.4
327.19598	1.1
345.20416	1.1
356.10092	0.9
363.21719	1.8
381.09415	1.2
428.44629	0.9
608.35620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.9
53.03925	3.3
55.01867	3.0
55.05492	3.3
57.03433	4.7
57.07069	1.1
59.04976	1.3
61.02908	10.1
67.05495	5.2
69.03418	22.1
69.07051	6.8
69.26174	0.6
71.04984	10.2
71.37768	0.6
72.82502	0.6
73.02890	3.1
79.05476	6.2
81.03400	8.9
81.07036	17.2
83.04987	1.3
83.08595	2.9
84.42810	0.7
85.02892	100.0
85.06532	3.4
87.04455	2.4
91.01334	0.6
91.03944	4.4
91.05451	3.6
91.73650	0.6
92.09260	1.5
92.63471	0.7
93.07030	11.1
95.04955	2.5
95.08576	10.0
97.02877	29.8
97.06502	4.0
97.10167	1.1
99.04456	5.6
105.03378	3.0
105.07014	17.6
107.04913	0.7
107.08585	15.2
109.02868	10.7
109.06499	1.5
109.10149	11.5
111.08089	1.0
111.88175	0.7
115.03877	0.9
117.06986	1.3
119.08564	13.5
121.10110	9.5
123.08060	1.2
123.11700	2.6
125.09606	35.4
127.03896	20.8
127.11171	11.0
131.08607	4.7
133.10118	6.6
135.07999	0.9
135.11700	11.0
137.09575	1.3
143.09717	0.9
143.10657	8.0
145.04944	24.8
145.10114	21.4
147.04416	1.6
147.11642	6.0
149.13249	3.0
151.11169	1.5
157.09964	0.8
159.11649	6.9
161.13217	10.0
163.06024	6.5
173.13176	1.4
175.14784	1.6
177.16391	1.1
179.14258	2.7
191.17932	4.5
201.16345	12.0
219.17412	43.1
237.18425	11.4
253.06837	0.7
267.08929	0.9
325.11154	4.3
363.21686	1.1
379.00735	0.6
381.22601	0.9
399.23663	7.2
473.00769	0.6
473.09784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.01867	5.0
55.05503	12.0
57.03432	6.9
57.07057	2.8
59.04985	1.5
61.02911	9.5
61.62619	0.6
65.03916	1.2
67.05492	25.1
69.03413	23.1
69.07053	22.0
71.04971	8.4
71.08591	0.8
71.65096	0.8
71.69970	0.6
73.02891	4.1
76.53633	0.6
79.05471	28.4
81.03403	10.1
81.07038	100.0
83.01342	0.7
83.04970	5.6
83.08595	4.2
84.51270	0.6
85.02890	84.4
85.06528	4.1
87.04419	0.9
91.03925	3.6
91.05460	22.0
92.08981	5.0
93.07021	47.9
95.04955	8.4
95.08582	34.0
97.02866	24.3
97.06511	17.7
97.10129	3.8
99.04430	4.4
103.05434	0.9
105.03368	14.2
105.04481	0.8
105.07011	53.0
107.04930	1.6
107.08576	49.7
108.08905	0.6
109.02856	8.2
109.06508	8.4
109.10143	34.0
111.04390	0.7
111.08064	6.9
117.06990	12.3
119.08559	38.9
121.06467	3.6
121.10126	43.2
123.04440	2.7
123.08051	6.4
123.11681	7.7
125.05905	1.2
125.09612	5.3
127.03892	17.0
127.11169	2.8
128.06224	0.8
129.06967	3.0
130.07774	4.9
131.08540	26.5
133.06479	1.0
133.10107	39.7
135.08026	4.9
135.11673	8.4
137.09628	5.7
137.10536	0.8
143.08525	3.9
143.10585	1.2
144.09335	1.7
145.02808	0.9
145.04944	17.5
145.10104	54.4
146.10837	1.3
147.04388	2.9
147.11687	9.9
149.09596	5.3
149.13210	4.6
151.11168	7.8
156.09349	0.9
157.10095	4.0
158.54512	0.8
159.07977	0.9
159.11668	33.6
161.09622	1.3
161.13217	15.3
163.03915	0.9
163.05907	5.0
163.11156	9.6
165.12744	1.4
167.07007	1.0
171.11655	2.8
173.09550	0.7
173.13223	10.8
175.14786	5.1
177.05418	1.2
177.12733	3.1
181.04884	0.7
189.16383	1.6
191.17908	1.4
199.14934	0.7
201.16357	36.6
219.17409	53.7
237.18466	5.2
243.17465	0.8
249.07486	1.6
267.08597	2.7
279.08380	1.0
289.17859	1.0
353.94104	0.8
363.21506	3.2
378.49860	0.8
381.22659	4.4
417.15875	0.8
578.26337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70091	1.0
55.05534	1.0
56.39177	1.1
57.45855	1.1
57.78288	1.2
68.11650	1.3
76.56736	1.5
77.49869	1.2
81.07032	1.6
83.07864	1.2
92.09013	2.5
93.07038	2.3
95.08574	1.9
107.08613	1.7
113.75761	1.4
140.73979	1.3
166.81424	1.4
168.95174	1.5
232.82912	1.4
257.36884	1.5
266.55414	1.4
353.07224	1.3
528.83942	1.6
578.30731	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	578.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.05508	6.6
57.03411	0.5
57.07066	17.2
67.05490	1.9
69.03394	1.9
69.07014	0.5
73.06505	0.8
75.03873	0.5
78.66859	0.5
79.05469	3.1
81.03403	3.9
81.07028	3.1
85.02871	3.3
91.05467	2.9
92.08953	2.4
93.07028	1.4
95.04935	2.6
95.08591	0.6
97.02892	1.1
97.06467	0.7
105.03372	23.8
105.07017	2.8
107.08590	2.4
109.02859	1.3
109.10147	1.1
111.04370	0.6
119.08584	1.4
121.02836	1.0
121.10128	0.7
123.04388	1.3
129.06950	1.0
133.10085	0.7
145.10124	0.7
147.30016	0.6
149.02321	100.0
161.05916	1.0
161.37157	0.6
167.03386	0.8
175.07466	4.8
203.07031	3.5
205.08562	3.7
218.44370	0.6
247.67784	0.6
249.07487	2.4
254.70953	0.7
267.08511	0.6
277.14252	23.1
295.15213	0.8
349.51294	0.6
362.46536	0.6
561.52289	0.6
578.32672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71726	2.9
51.85288	3.0
53.03928	4.6
53.21197	2.9
55.01867	4.6
55.05501	39.2
57.03428	17.1
57.07063	3.9
62.73753	3.6
65.03925	6.9
66.44407	3.5
67.05148	5.0
67.05493	99.4
68.31499	3.0
69.03404	4.6
69.07052	22.9
69.27496	3.2
69.36918	3.4
71.04969	19.4
77.35818	3.8
79.05476	67.4
81.03387	31.4
81.07043	100.0
83.04985	8.6
83.08600	24.4
85.06544	6.4
87.04413	4.4
91.05461	65.7
92.08983	23.7
93.07018	73.7
95.04948	21.7
95.08588	68.8
97.06513	17.7
97.10123	9.6
105.07014	64.9
107.08574	38.0
109.06519	6.7
109.10126	29.1
115.05392	4.9
117.06992	35.9
119.08540	49.8
121.10141	30.1
123.11698	7.7
125.09588	9.2
129.06989	8.3
131.08537	33.4
133.10114	21.7
135.11665	22.5
137.13208	4.2
143.08586	22.1
145.10072	28.0
147.11681	19.6
149.13327	4.9
155.08632	5.9
157.10129	24.8
159.11673	22.4
161.13229	8.5
166.59338	4.1
169.10083	8.6
171.11588	4.9
173.13246	6.9
179.44080	4.3
183.11647	4.8
187.14769	4.5
188.40451	3.8
197.13133	6.1
227.12663	6.2
261.22208	5.3
267.15829	14.5
301.25204	5.1
303.23401	4.9
335.25684	6.2
435.32248	4.7
453.33310	7.0
527.37366	55.1
545.38184	39.3
559.39691	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	576.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86852	1.5
55.05499	12.0
57.03419	19.0
57.07063	53.5
62.30804	2.1
67.05481	21.3
67.76447	2.0
69.07046	11.5
70.45842	2.0
71.08608	30.7
73.06434	1.9
76.56448	2.0
79.05453	13.7
81.02932	4.1
81.03397	100.0
81.07034	33.1
83.04964	3.5
83.08586	27.3
85.06548	2.8
85.10155	16.8
91.05438	23.8
92.08687	11.6
92.09306	8.4
93.07026	16.1
95.04933	26.2
95.08592	30.4
97.10152	4.8
105.06996	14.2
107.04940	5.3
107.08547	3.6
109.06519	3.4
109.10131	12.5
111.08088	5.1
113.05949	3.1
117.68161	2.3
119.08536	14.4
120.00190	2.6
121.10104	10.0
129.06947	5.3
131.08522	10.9
133.06448	4.0
133.10147	3.4
142.07747	3.3
147.11655	10.0
149.09547	7.9
157.10062	11.1
175.11075	9.4
193.12202	30.2
227.29951	2.5
267.15851	89.3
313.27319	90.6
505.38831	75.6
534.78406	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	576.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.4
53.03932	5.1
54.24227	1.0
54.81672	1.0
55.01858	7.2
55.05503	23.6
55.56047	0.9
57.03425	20.8
57.07087	1.1
59.04985	2.6
62.16832	1.1
67.05492	23.1
69.03413	7.4
69.07047	7.1
71.01325	1.5
71.02608	1.0
71.04995	1.5
76.56352	1.3
79.05468	23.9
81.03399	100.0
81.07036	27.4
83.04955	5.9
83.08600	27.1
85.02903	6.6
85.06539	2.1
91.05459	43.0
92.09013	9.5
93.07017	29.7
95.04942	29.4
95.08577	12.1
95.23509	1.4
97.02872	8.0
97.06529	3.0
97.10142	6.6
99.00790	24.4
103.05430	1.3
105.03370	6.5
105.07013	31.7
107.04939	16.6
107.08591	15.2
109.02851	16.6
109.06512	7.6
109.09437	1.3
109.10139	6.8
111.08080	12.2
113.05997	1.3
115.03941	2.3
117.07001	3.0
119.08556	24.7
121.06477	14.1
121.10094	10.3
122.87218	1.2
123.04402	1.9
123.07970	1.5
123.11664	1.8
125.09599	6.1
127.03905	1.7
129.06955	11.9
130.22635	1.1
131.08537	13.9
133.06471	7.2
133.10104	41.8
135.08057	2.3
135.11632	1.9
137.09633	2.3
139.07460	1.5
142.07780	1.7
143.08533	7.5
145.06509	1.7
145.10118	1.8
147.08032	5.8
147.11642	8.8
149.09604	6.9
151.11171	12.9
157.10110	15.0
161.09578	19.7
163.11160	1.5
171.08080	4.8
175.11171	10.7
179.10722	8.7
189.09064	12.2
193.12190	25.2
197.11647	1.9
207.10213	2.4
211.13275	5.6
219.13733	5.6
225.09142	1.4
225.11168	11.4
227.12746	2.1
238.64537	1.4
267.15848	77.8
281.13751	2.2
299.14819	49.4
308.28467	1.3
445.25693	5.9
463.26855	2.8
473.25287	16.1
477.27942	1.6
485.72714	1.4
491.26288	64.4
576.33508	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.9
53.03944	0.9
55.01868	2.1
55.05503	2.1
57.03427	2.1
61.02914	5.1
67.05486	2.7
69.03413	11.0
69.07047	3.0
71.04977	13.9
73.02894	0.8
79.05473	2.9
81.03400	5.2
81.07046	5.5
81.07452	0.5
83.04966	1.3
83.08614	1.3
84.34856	0.5
85.02892	47.5
85.06512	1.2
91.03937	1.3
91.05468	5.2
92.08974	2.9
93.07023	5.2
93.96793	0.6
95.04944	2.6
95.08583	3.4
97.02873	11.6
97.06501	2.6
99.04445	3.1
105.03378	7.8
105.07013	51.2
107.04926	0.8
107.08588	11.9
109.02861	4.1
109.06493	1.0
109.10143	2.5
115.03919	0.6
117.06992	2.4
119.04937	4.4
119.08567	22.5
119.09393	1.1
121.06515	0.7
121.10154	3.2
124.42491	0.5
125.06084	0.6
125.09602	2.4
127.03899	8.3
128.06189	3.4
129.06990	2.0
131.08546	5.0
133.10124	7.0
135.11674	1.9
137.09700	0.8
142.07787	4.8
143.08548	31.2
145.02805	0.6
145.04924	10.5
145.10107	15.5
147.04427	4.9
147.08057	0.5
147.11674	1.2
151.11137	0.6
155.08466	0.9
156.09361	1.0
157.10109	27.6
159.11647	5.9
161.09616	2.5
163.03886	1.2
163.05968	4.1
169.10181	0.7
171.11633	4.1
173.13170	0.6
175.11218	0.6
175.14784	0.9
177.05496	1.0
183.11613	0.7
199.14790	62.0
200.15176	0.7
209.15291	0.6
217.03438	0.6
217.15849	100.0
235.16862	0.9
249.07515	1.0
267.08563	0.7
325.11072	1.0
325.14471	0.9
404.16214	0.6
576.29181	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.4
53.03936	3.8
55.01858	1.6
55.05504	6.7
57.03424	4.6
59.04999	0.9
61.02913	5.5
62.78981	0.7
64.33744	0.8
67.05501	6.5
69.03416	15.2
69.07047	4.4
71.04972	15.4
73.02895	1.2
75.39513	0.8
76.55246	0.7
79.05466	5.7
81.03395	7.5
81.07041	9.9
83.04974	3.7
83.08581	3.2
85.02888	49.7
85.06516	4.0
86.09688	1.2
90.41100	0.8
91.03934	3.4
91.05460	9.8
92.09019	4.1
93.07022	11.0
93.48643	0.9
95.04950	6.8
95.08555	9.2
97.02869	16.5
97.06497	7.4
99.04404	5.9
99.08076	1.1
105.03377	13.5
105.07014	50.2
107.08580	16.9
109.02878	7.5
109.06506	3.2
109.10149	4.8
111.08058	1.1
115.05444	1.0
117.06985	3.7
119.03377	1.6
119.04911	7.8
119.08560	27.4
121.06440	3.0
121.10115	5.4
123.04404	0.8
123.08067	2.8
123.11691	0.9
123.56754	0.8
125.09607	4.4
127.03890	12.6
128.06200	4.8
129.06931	1.5
131.08543	7.9
133.10109	8.5
135.04402	1.1
135.08008	1.2
135.11694	3.1
137.05937	1.3
137.09586	1.9
142.07776	5.2
143.08542	31.5
143.10608	0.8
145.02856	1.0
145.04924	11.1
145.10112	18.9
147.04375	13.2
147.08049	1.5
147.11673	3.7
149.09605	1.9
151.11200	1.4
153.09109	1.1
156.09380	1.2
157.10091	25.2
159.11665	7.8
160.07649	0.8
161.09602	1.8
161.13197	1.6
163.03864	1.6
163.06003	3.3
171.11658	5.1
173.13235	1.2
175.08647	1.1
177.05428	1.5
182.03661	0.8
184.00612	1.1
187.14835	1.2
193.15770	0.8
195.13843	0.8
197.13298	1.1
199.12914	1.6
199.13402	1.3
199.14781	62.0
217.03395	3.2
217.15848	100.0
225.08925	1.0
235.16916	1.0
249.07600	1.3
267.08496	1.0
325.11218	1.8
518.72900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89665	0.4
53.03946	3.6
55.01874	4.2
55.05499	2.0
57.03423	7.4
59.04983	0.7
60.04502	0.6
61.02917	9.1
67.05480	4.2
69.03413	23.1
69.07060	1.9
71.04987	4.3
71.05307	0.7
73.02899	3.3
79.05478	6.4
81.03397	15.4
81.07037	28.5
83.01359	0.6
83.04982	1.1
85.02886	100.0
87.04460	1.8
91.03930	4.1
91.05458	2.9
91.25963	0.6
92.08807	2.9
93.07024	8.5
93.13038	0.4
95.04936	3.4
95.08591	10.5
95.91294	0.5
96.05260	0.5
97.02865	33.6
97.06492	0.7
97.10154	0.9
99.04441	5.2
105.03371	25.2
105.07005	9.9
106.03711	2.9
107.04882	0.5
107.08552	7.4
107.09068	0.4
109.02858	12.7
109.06490	1.0
109.10155	3.8
110.03251	0.5
111.08032	1.1
115.03922	0.9
119.08544	8.8
121.06484	1.1
121.10104	1.1
123.04407	2.6
123.11694	4.1
127.03883	24.8
131.08531	2.3
133.10085	5.5
135.07997	0.6
135.11661	4.9
139.07576	0.6
144.06564	0.9
145.04936	25.2
145.10088	1.1
147.04407	0.8
147.11682	2.9
157.10133	0.7
159.11662	2.6
161.09633	0.8
161.13232	10.4
163.05975	8.3
171.11647	0.7
189.16353	16.9
199.14775	1.2
217.15796	5.5
235.16878	11.8
249.07466	3.8
249.55084	0.5
267.08566	4.8
268.08896	0.7
288.78915	0.5
577.00696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01863	3.9
55.05503	2.7
57.03224	0.4
57.03436	6.7
57.07046	0.5
59.04970	0.4
59.72453	0.3
60.04515	0.6
61.02914	10.9
67.05495	4.3
69.03416	24.0
69.07054	2.0
71.04982	3.8
73.02892	3.9
79.05463	5.3
81.03397	14.3
81.07041	19.9
81.07536	0.6
83.04956	0.7
83.08598	0.5
85.02891	100.0
85.06480	0.4
85.31207	0.5
87.04449	3.5
91.03938	4.4
91.05474	4.3
92.09078	3.8
93.07027	6.0
95.04939	2.4
95.08594	10.6
96.04476	0.4
97.02875	34.6
97.06496	0.9
97.10163	0.8
98.06012	0.5
99.04450	5.0
101.02381	0.7
103.03899	0.6
105.03375	23.8
105.07016	8.8
107.04951	1.1
107.08575	7.3
109.02863	12.0
109.06536	2.0
109.10107	3.3
115.03943	1.0
117.07054	0.7
119.08566	12.4
121.10120	4.0
123.04408	2.8
123.08051	0.6
123.11667	6.7
125.09657	0.5
127.02962	0.9
127.03899	25.0
129.41501	0.5
131.08554	1.1
133.10092	6.1
135.08025	0.5
135.11674	4.6
141.07008	0.5
144.06606	0.8
145.04945	24.3
145.10138	1.8
147.11662	4.3
148.01019	0.5
153.09068	1.1
157.10107	0.8
159.11653	1.7
161.09630	0.7
161.13226	10.2
162.07678	0.8
163.03886	0.6
163.05992	6.6
171.11662	0.8
173.13191	0.7
175.11212	0.9
180.62741	0.5
189.16364	11.9
197.13229	0.5
217.15764	3.4
235.16896	5.3
249.07628	3.9
267.08609	4.5
276.56732	0.5
337.09332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74658	8.0
55.05500	47.7
57.03418	7.4
57.07072	10.8
67.05501	98.6
69.03421	21.3
69.07066	21.2
77.02279	9.6
79.05478	56.1
81.03411	66.3
81.07039	100.0
82.75883	9.5
83.08607	35.7
87.04437	12.9
91.05470	49.3
92.09029	20.0
93.07030	41.3
95.08585	84.0
97.02869	13.9
105.07036	42.4
107.08607	18.6
109.02874	14.2
109.10157	23.3
119.08574	22.5
121.10141	40.8
133.10072	14.9
147.11736	9.4
152.19540	9.9
229.68405	11.0
367.85886	13.1
471.38412	11.5
504.00400	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	576.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.2
51.90398	0.1
53.03940	3.3
55.01856	0.5
56.13395	0.1
57.03430	1.0
61.02906	0.6
67.05500	0.2
69.03414	6.4
71.01311	0.2
71.04970	0.7
73.02898	0.2
75.57459	0.1
77.03913	0.5
79.05470	5.2
81.03398	13.8
81.07037	0.3
84.98015	0.1
85.02888	9.2
91.05465	0.2
92.08698	0.2
92.09200	0.2
93.07030	0.2
95.04948	5.2
95.08578	0.2
97.02871	9.4
99.04436	2.0
105.03372	100.0
108.04461	0.2
108.68971	0.1
109.02859	7.8
109.10156	0.1
119.08534	0.2
123.04404	10.2
127.03893	6.3
141.05450	0.2
145.04933	1.6
229.71359	0.1
231.06395	0.9
249.07526	16.8
267.08575	19.0
393.79565	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	574.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87952	2.2
54.44596	2.7
55.01857	16.6
55.05503	21.5
57.03428	29.8
57.07069	62.7
58.13986	2.3
67.05493	50.4
69.07043	18.3
71.04961	4.3
71.08615	34.6
79.05473	19.8
81.07045	42.9
83.04965	52.6
83.08607	17.3
85.10151	22.2
87.04453	20.0
91.02306	2.5
91.05475	18.4
92.09095	24.4
93.07027	44.4
95.04941	7.0
95.08601	38.2
97.06516	15.8
97.10171	6.4
99.04425	4.1
101.31060	2.7
105.07031	17.4
107.08569	29.4
109.10160	28.1
111.04425	100.0
111.08070	33.8
117.06982	4.1
119.08546	16.8
121.06493	4.8
121.10124	25.2
123.11741	3.6
129.07022	4.5
131.08568	7.1
133.10118	4.1
135.11665	30.5
145.10085	25.2
149.09584	7.0
153.12718	50.4
163.11177	56.0
173.09579	7.0
181.12196	71.7
187.70995	2.8
191.10609	42.7
209.11731	14.1
227.12756	53.3
283.15353	88.2
301.16400	51.5
304.26859	3.6
313.27322	91.8
314.27689	4.4
407.00797	3.3
521.38165	5.3
539.39355	90.5
574.39337	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	574.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.2
53.03936	4.0
55.01849	0.5
55.05499	0.8
57.03417	1.1
57.07055	0.2
57.78024	0.2
61.02916	0.5
67.05477	0.5
69.03065	0.3
69.03417	6.4
69.07034	0.4
71.04967	1.0
73.02909	0.4
77.03902	0.3
79.05471	5.7
81.03397	14.3
81.07040	1.4
83.04939	0.4
85.02888	10.3
91.05451	0.9
92.08843	1.0
93.07029	1.2
95.04394	0.3
95.04946	5.3
95.08575	1.2
97.02864	8.7
97.06490	1.0
99.04424	2.4
105.03371	100.0
105.07004	1.2
107.08574	0.4
108.04524	0.3
109.02857	8.7
109.10134	0.3
111.04366	0.2
114.15183	0.2
117.06989	0.3
119.08566	1.0
121.02832	0.2
121.10117	0.2
123.04404	8.7
127.03898	6.5
131.08485	0.8
133.10135	0.3
135.11609	0.4
145.04961	1.6
145.10117	0.3
149.09595	0.2
157.09985	0.3
159.11685	0.2
161.09612	0.3
163.03903	0.5
173.02249	0.2
173.31392	0.2
177.38914	0.3
194.27147	0.3
231.06497	1.2
249.07524	17.4
254.65294	0.2
267.08575	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	574.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14524	4.7
54.81863	5.1
55.05502	10.0
61.60404	5.8
67.05489	35.3
67.58935	4.7
69.07056	9.9
69.37733	5.5
75.97960	5.6
79.05453	13.5
81.07050	47.3
81.74873	5.6
83.04993	5.5
83.08627	9.8
89.72688	5.5
91.05463	21.1
93.07033	50.9
95.08581	77.7
103.03910	7.1
105.07021	22.6
107.08589	44.4
109.10160	31.4
119.08559	69.3
121.10096	48.1
123.11691	27.4
131.08527	8.0
133.10097	44.7
135.11667	21.7
143.08508	9.8
145.10153	31.0
147.11691	32.0
149.13278	13.3
159.11684	30.3
161.13260	22.5
163.14761	6.9
173.13216	7.2
175.14807	25.9
177.16402	12.5
189.16388	29.0
196.39066	5.7
201.16418	29.5
203.17934	30.6
213.16420	8.9
215.17928	34.9
247.16832	9.0
261.18616	25.0
291.67191	6.1
377.47992	5.9
409.34476	10.8
411.32184	6.3
437.34100	100.0
457.96881	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.2
51.02363	0.2
53.03933	3.7
55.01847	1.1
55.05492	1.2
57.03420	1.5
61.02897	1.4
67.05486	1.0
69.03409	8.4
69.07053	7.2
70.64093	0.2
71.01328	0.3
71.04973	1.2
73.02895	0.5
77.03870	0.3
79.05467	5.3
81.03397	15.7
81.07027	1.1
83.04960	0.9
85.02887	16.0
85.06519	0.3
91.05446	1.1
93.07009	1.4
95.04942	6.5
95.08545	1.5
97.02869	11.2
97.06518	2.1
98.06841	0.3
99.04430	2.7
99.08079	0.3
105.03369	100.0
105.07016	1.2
106.03706	1.7
107.04877	0.3
107.08560	0.9
109.02856	9.0
109.06507	0.5
109.10150	0.5
111.04408	0.9
111.08063	1.1
111.11700	1.5
119.08569	1.0
121.10151	0.5
123.04395	9.4
127.03893	8.1
129.12679	1.0
131.08557	0.9
133.10107	0.5
135.04341	0.3
135.08038	0.3
137.05980	0.3
137.09593	0.4
139.03883	0.2
141.12740	0.9
145.04933	3.2
145.10123	0.3
147.04402	1.1
157.06406	0.4
157.10010	0.4
159.11679	1.3
161.05919	0.9
162.06300	0.4
163.03879	2.2
163.06197	0.2
164.04185	1.1
165.04385	0.3
173.05885	0.3
175.07484	0.3
189.08986	0.3
193.12273	0.2
196.08398	0.4
213.09073	0.3
214.09428	0.2
215.14322	0.2
222.22401	0.2
231.06558	1.1
233.15329	0.4
237.14911	0.3
241.08624	0.3
249.07523	15.7
255.15962	0.9
259.09573	1.7
260.10086	1.0
261.10138	0.3
267.08569	16.0
273.16885	1.5
291.17917	2.9
371.31876	0.3
375.12131	0.3
452.36359	0.3
574.22766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53274	1.0
53.00288	4.8
53.03941	13.7
55.01856	7.9
55.05263	1.9
55.05503	31.8
57.03427	11.4
57.07058	3.2
65.03919	2.7
67.05489	89.8
69.03067	2.4
69.03411	42.6
69.07054	25.6
71.01314	1.3
71.04971	8.6
73.02898	2.1
79.05468	74.8
81.03011	1.2
81.03395	73.0
81.07032	100.0
83.04961	8.0
83.08582	12.8
85.02888	22.7
85.06521	5.4
91.05454	55.4
92.09061	6.8
93.07019	90.6
93.18768	1.3
95.04939	14.4
95.08578	68.6
97.02875	27.1
97.06499	5.9
97.10151	5.9
99.04429	7.8
99.08098	1.2
103.05402	1.4
105.04536	1.9
105.07002	50.9
107.04939	6.9
107.08572	46.1
109.02838	18.6
109.06508	8.2
109.10139	29.2
111.04429	5.2
111.08057	2.9
115.05420	2.5
116.04969	9.9
117.06981	20.0
119.08559	39.1
121.06498	4.9
121.10114	37.2
123.04395	2.0
123.11689	8.7
125.09644	2.4
127.03894	10.8
128.06171	2.3
129.06967	11.2
131.08536	33.0
133.06502	2.9
133.10100	24.8
135.08018	2.5
135.11647	21.5
137.13295	1.8
141.06993	2.0
142.07901	1.3
143.08519	10.2
145.04913	2.2
145.06461	4.8
145.10101	20.7
147.04364	1.9
147.08047	2.7
147.11668	18.4
149.09619	5.0
149.13206	9.8
151.11183	1.4
155.08533	5.7
157.10089	9.5
159.08052	2.6
159.11653	19.3
161.09555	2.0
161.13173	10.8
163.11108	1.6
163.14819	1.8
167.08533	2.3
169.10056	2.8
171.08005	2.4
171.11670	8.4
173.13228	12.0
175.11101	2.5
177.12637	2.2
183.11673	3.1
185.09673	2.4
185.13208	3.2
187.14760	6.0
197.13232	6.1
199.14778	2.5
201.12791	1.6
209.13278	1.7
211.11154	1.7
211.14796	1.4
213.12732	2.3
243.21043	6.0
249.14702	1.8
259.20578	2.8
261.22025	14.8
277.21677	2.4
285.22189	2.2
289.21457	1.8
290.48788	1.4
291.23138	2.1
295.15100	1.8
297.22144	1.7
303.23169	6.0
315.23181	2.7
327.23062	2.5
341.24799	3.2
345.24066	1.5
351.23080	4.9
369.24130	15.7
376.15091	1.6
387.25241	15.5
405.26361	13.3
423.27344	2.5
450.28143	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	573.303
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.00299	0.9
55.05499	6.4
57.03201	0.8
57.03430	9.2
57.07065	45.7
65.05177	0.5
67.05482	9.4
69.03412	0.9
69.07050	8.6
71.04961	0.8
71.08613	29.1
72.94350	0.6
77.49283	0.5
79.05485	2.6
81.03404	6.2
81.07040	12.4
83.08598	7.7
85.06511	0.7
85.10171	15.8
89.06040	0.8
92.60506	0.7
93.06997	1.4
95.08582	18.3
97.10135	4.5
98.98445	44.3
107.08601	0.9
109.02876	5.3
109.10141	7.4
119.08588	0.7
123.11695	3.0
135.11641	0.6
153.16322	0.6
155.01016	24.2
173.02179	0.8
236.44435	0.6
239.23663	2.9
261.03766	0.8
313.27310	100.0
314.27798	0.8
317.06323	3.2
335.07382	1.0
343.72162	0.6
390.16983	0.6
393.24094	4.7
401.28848	2.7
408.26642	0.7
504.21375	0.9
537.28027	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	573.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41238	0.5
53.03938	1.1
55.01861	0.7
55.05502	2.6
57.03416	1.2
57.21669	0.4
67.00393	0.4
67.05499	2.7
67.39098	0.4
69.03423	6.3
69.07053	2.1
69.60529	0.4
70.03765	0.5
71.04978	2.1
79.05477	3.5
81.03404	6.2
81.07040	4.1
82.03712	0.5
83.04964	3.2
83.08609	0.7
85.02888	5.5
85.06528	2.6
85.70097	0.4
91.05470	4.5
92.08923	0.5
93.07040	4.3
95.04950	5.9
95.08593	2.6
96.08926	0.7
97.02874	2.5
97.06514	2.0
99.04440	1.0
99.08115	0.7
103.05449	1.0
103.28669	0.5
105.03380	29.2
105.04483	1.0
105.07014	4.1
106.03712	5.3
107.03851	0.8
107.04965	0.7
107.08582	3.9
109.02882	2.6
109.06542	1.1
109.10155	2.1
111.04436	0.7
117.07046	0.7
119.04946	0.9
119.08546	2.6
120.08933	0.6
121.06471	0.7
121.10126	3.7
123.04411	2.2
123.08066	1.2
123.11694	0.5
125.05980	0.6
125.09579	0.8
127.03895	2.0
127.07568	0.6
127.11169	0.9
129.05522	0.7
131.04930	3.2
131.08557	2.4
133.10152	3.2
135.08049	0.7
135.11691	0.8
137.05954	7.8
138.06357	0.6
145.02817	0.9
145.10104	1.2
147.04468	0.8
147.11717	1.2
149.09607	1.1
151.03964	0.6
157.10107	0.9
159.08028	0.6
159.11688	0.6
161.05960	1.1
161.09494	0.8
163.03876	0.9
163.07527	0.8
175.07533	0.8
177.05453	2.0
177.16417	0.5
193.12238	0.6
235.16776	0.5
249.07504	0.7
250.07851	0.7
267.08701	2.4
268.09030	0.6
269.09409	0.6
305.06345	2.5
307.07794	9.7
343.67123	0.5
363.10468	4.5
405.11426	1.1
451.12051	52.8
572.31207	0.6
573.15692	100.0
573.30621	4.7
574.15814	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	3.5
55.01870	4.2
55.05498	32.7
56.04391	2.8
57.03430	27.6
57.06813	4.3
57.07068	73.1
67.05478	34.0
69.07045	12.8
71.08620	33.1
79.05470	19.3
81.07040	46.1
83.08585	27.7
85.06520	5.5
85.10164	13.1
89.06002	6.2
91.05456	28.4
92.09165	23.1
93.07006	28.6
95.04952	4.6
95.08575	31.7
97.02863	4.1
97.06516	5.3
97.10143	6.9
99.00795	28.5
105.06986	27.4
107.04948	6.0
107.08588	12.7
107.62967	3.9
107.63760	3.0
109.02876	6.2
109.10145	19.4
111.08086	4.5
117.07027	3.9
119.08533	12.2
119.48072	3.0
121.06452	6.7
123.11678	6.2
127.03859	5.9
133.10110	52.0
143.08556	5.4
151.11186	11.5
153.09010	3.1
161.09621	26.7
179.10658	5.8
189.09167	5.5
195.30663	3.0
207.10097	3.8
225.11212	11.5
281.13702	5.3
299.14847	92.7
313.27304	100.0
537.37750	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	0.8
53.03937	1.7
55.01866	2.9
55.05500	16.2
57.03419	3.9
57.07058	4.5
59.04986	3.9
59.76832	0.6
61.02907	3.0
62.42679	0.7
64.56339	0.6
67.05486	6.3
68.24696	0.6
68.78061	0.7
69.03414	12.8
69.07052	42.4
70.06565	3.4
71.04974	7.9
71.08588	1.0
73.02902	1.3
79.05476	6.1
81.03411	7.2
81.06591	1.3
81.07040	23.9
83.04959	7.0
83.08608	9.4
85.02889	35.8
85.06015	1.0
85.06523	26.1
86.09689	2.7
87.04471	1.1
91.03902	0.8
91.05439	3.2
92.09058	0.8
93.07025	12.1
95.04948	1.4
95.08585	41.8
95.09200	1.3
97.02862	11.3
97.06496	5.1
97.10151	12.8
99.04469	2.7
99.08066	19.5
105.03373	27.1
105.06992	1.4
105.75632	0.8
107.04926	0.8
107.08582	26.0
109.02869	7.2
109.10132	17.4
111.08060	3.8
111.11691	7.8
112.07588	0.8
113.09622	8.6
119.04910	3.7
119.08575	1.0
121.10115	38.9
123.04402	4.3
123.08059	0.7
123.11710	8.4
124.99972	1.2
125.09605	6.8
126.78631	0.8
126.88301	0.7
127.03858	8.9
135.11662	23.9
135.12666	1.0
137.05913	9.0
137.13225	22.1
139.11147	9.7
145.04945	7.5
147.04381	19.3
149.13249	4.5
151.14801	4.4
153.12692	9.9
159.30458	0.9
163.07439	0.9
177.16341	75.4
179.07005	1.7
184.07315	4.7
195.17398	24.5
213.18452	100.0
214.18840	1.0
249.07484	2.9
267.08588	4.1
271.11707	2.9
299.33301	0.7
308.74295	0.7
375.23688	49.7
410.11975	0.9
537.28741	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29651	0.3
51.49188	0.2
53.00309	0.3
53.03937	4.5
53.83096	0.3
55.01862	0.6
55.05502	0.6
57.03426	1.9
61.02914	0.5
67.05487	2.1
69.03062	0.5
69.03413	7.3
69.07054	3.7
70.06583	1.6
71.04974	2.9
73.02891	0.6
75.04463	0.5
77.03906	0.7
79.05472	6.8
81.03401	15.3
81.07030	3.8
81.63958	0.4
83.04961	1.3
83.08614	0.7
85.02889	13.0
85.06533	1.4
85.12891	0.3
86.09715	0.7
87.04441	0.4
91.05456	3.8
92.08716	0.7
92.09269	0.7
93.07026	2.2
95.04956	6.4
95.08573	3.1
97.02871	9.0
97.06527	0.7
97.10152	0.5
99.04447	1.8
99.08049	1.3
103.05464	1.3
105.03373	100.0
105.07014	2.0
107.04933	1.3
107.08576	2.3
109.02871	8.1
109.06490	0.5
109.10138	3.0
111.04420	0.5
111.20135	0.3
113.09613	0.5
115.05464	0.4
117.06956	0.7
119.04918	8.8
119.08585	0.7
121.06463	1.2
121.10104	3.1
122.03677	0.4
123.04397	11.9
123.11654	0.6
125.09638	0.4
127.03909	5.7
129.06966	1.3
131.04907	2.2
131.08534	1.5
133.06468	1.8
135.04405	1.5
135.08041	0.7
135.11664	2.3
137.05952	31.8
137.13268	1.4
139.11151	0.6
143.08504	0.4
145.04996	1.4
145.10083	0.4
147.01833	0.4
147.04385	16.9
149.05968	1.6
149.13190	0.4
151.03864	0.7
151.07539	2.1
152.04663	2.2
153.12695	0.8
157.06506	0.5
158.45973	0.4
159.08012	0.8
160.08374	0.5
161.05939	2.4
163.03882	0.7
163.07523	2.3
163.11113	0.5
164.04588	0.7
165.05475	0.8
167.06987	4.8
172.05215	0.5
174.06700	1.4
175.07439	2.1
177.05528	0.5
177.09062	8.7
177.16316	3.4
178.06218	0.4
179.06998	11.1
187.07547	0.5
189.09171	2.4
190.09428	1.6
193.08583	4.8
195.08009	0.5
195.17435	2.1
197.08049	2.8
201.09077	0.4
204.07637	0.4
205.08333	0.4
211.09496	0.4
213.18452	6.3
217.08595	0.8
219.10115	4.5
220.10480	3.6
221.11581	0.6
223.07547	1.5
231.06511	1.4
231.15952	0.4
235.09575	0.6
237.11232	0.8
241.10648	3.8
249.07535	10.5
249.11139	4.3
250.11519	2.8
251.11790	0.7
253.10773	0.6
255.12271	0.6
267.08566	14.3
271.11740	11.4
277.17099	0.3
283.09595	3.9
284.74966	0.4
315.12134	3.2
362.12076	0.4
375.23691	1.7
410.12442	0.5
532.31500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
54.16105	0.5
55.01867	5.9
55.05505	5.6
57.02570	0.4
57.03422	3.6
67.05496	5.4
69.03410	4.0
69.07052	12.6
71.01323	3.7
71.04974	0.8
75.55354	0.5
77.03906	0.9
79.05473	12.4
81.03403	0.5
81.07033	0.9
83.04967	10.2
85.02912	1.1
89.03896	0.9
91.05463	3.3
92.08686	0.7
92.09193	1.2
93.03383	2.2
93.07037	0.9
95.04944	18.2
95.05511	0.8
97.02882	0.7
97.06505	44.2
103.05443	0.8
105.03369	100.0
105.06985	1.1
106.03706	0.5
107.04943	2.1
107.08571	1.0
109.10167	0.6
111.04433	7.7
115.05424	3.7
117.03358	3.7
117.06995	0.7
119.08569	0.5
121.02846	0.6
121.06451	0.6
123.04414	7.4
128.06180	3.2
129.05472	4.5
129.06953	5.1
131.04906	0.9
131.08566	0.6
133.02948	0.6
133.06505	1.2
133.10080	0.6
135.04393	7.4
137.05989	0.5
139.03891	4.7
141.06975	4.2
142.07739	1.9
143.04907	2.7
143.08525	4.2
145.02832	3.4
147.04439	3.5
152.06161	4.7
153.06989	1.1
155.08435	0.7
157.04961	2.7
157.06479	4.8
157.10124	3.6
159.08014	0.9
160.05176	6.7
161.02309	2.1
161.05943	30.6
162.03059	1.6
163.03868	79.3
165.06932	1.1
166.07794	0.7
167.04852	0.6
167.08505	15.5
169.06409	5.3
170.07175	0.7
171.04442	0.9
171.07973	4.0
172.32764	0.6
173.05945	13.7
174.06779	4.5
175.03862	9.4
175.06041	1.0
175.07469	10.2
176.04674	2.4
177.05452	3.3
177.06923	1.0
178.85045	0.6
180.05621	0.9
181.06461	1.2
182.07234	0.5
184.05147	11.4
185.05956	8.8
185.09529	6.9
187.07530	5.9
189.01790	4.2
189.05461	7.7
189.09076	18.0
195.08017	21.0
197.05968	3.5
198.06657	5.5
199.07440	3.6
200.04683	3.2
201.05412	0.8
201.09084	2.4
202.06203	2.1
203.03319	0.6
203.06978	7.4
203.10640	1.1
207.02922	5.8
211.07538	0.7
212.04695	2.7
213.05562	2.6
213.09059	31.2
215.06990	15.6
215.10587	4.0
217.05080	0.9
217.08522	11.5
223.07433	4.5
226.06187	4.3
229.08743	0.7
230.05722	0.6
231.10130	12.2
241.08521	24.1
259.09583	51.6
261.07526	3.6
277.10687	2.2
279.08542	13.4
297.09668	11.4
357.13318	0.6
433.14728	2.5
537.17542	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03947	2.7
55.05502	4.6
55.12741	3.4
55.30345	3.4
57.07070	76.0
66.29444	3.1
67.05490	14.6
69.07040	15.2
71.08617	58.1
73.06536	4.0
79.05462	6.1
81.07027	7.6
83.08598	4.2
85.10164	31.3
87.04474	5.3
89.06010	100.0
91.05492	7.8
92.09245	8.4
93.07010	5.7
95.08569	7.2
99.11682	3.3
101.47653	3.4
107.08556	4.4
121.26321	3.3
133.08589	44.3
150.22523	3.7
173.71082	4.1
177.11188	9.0
315.28705	4.3
320.22955	3.7
371.22696	17.0
463.96924	3.9
553.42755	27.1
570.44141	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	572.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.0
53.03926	2.7
55.01865	6.1
55.05493	4.4
57.03418	3.7
61.55476	0.7
67.05502	5.9
69.03403	3.7
69.07054	13.2
71.01321	3.9
75.54667	0.7
79.05469	12.4
81.03385	1.0
81.07053	1.3
83.04957	9.1
83.08087	0.6
85.02841	0.8
89.03886	3.6
91.05455	1.1
92.08639	1.5
92.09268	3.6
93.03410	0.7
93.07012	0.9
95.04944	20.8
95.48595	0.7
97.02858	1.0
97.06506	47.3
104.82288	0.6
105.03368	100.0
105.07026	1.4
106.03703	0.7
107.04920	0.9
111.04430	6.3
115.05438	3.1
117.03332	4.4
117.06975	0.7
119.08527	1.6
121.02838	1.4
123.04417	9.7
128.06212	2.7
129.05452	3.8
129.06973	5.2
131.04861	1.4
133.06438	1.3
135.04366	9.9
139.03864	4.8
141.06963	4.1
141.27431	0.7
142.07707	1.2
143.04849	0.9
143.08551	4.6
145.02820	4.3
147.04381	4.1
147.06499	1.0
149.05959	1.0
149.22986	0.7
152.06181	4.5
153.06969	1.4
154.07764	0.9
157.05084	1.4
157.06464	7.5
157.10097	3.3
160.05183	7.0
161.02313	4.4
161.05940	36.2
162.03185	1.1
163.03865	89.3
165.01805	1.1
165.06967	1.6
166.07748	1.4
167.08502	15.9
169.06442	4.0
169.10017	0.9
171.08070	3.0
173.05946	14.9
174.06720	6.1
175.03877	11.9
175.07449	11.0
176.04678	1.0
177.05481	4.8
177.06848	1.1
181.06462	2.5
184.05144	10.4
185.05960	10.6
185.09560	5.7
186.06735	0.8
187.07507	5.0
189.01775	4.4
189.05505	8.4
189.07324	1.2
189.09059	20.3
193.04942	1.1
195.08025	19.7
197.06065	4.9
198.06746	5.9
199.07523	2.5
200.04649	1.2
201.05438	1.4
201.09065	1.5
202.06239	1.3
203.03229	0.9
203.07007	8.5
203.10629	2.6
207.02844	9.5
212.04660	1.0
213.05659	1.8
213.09059	31.4
215.05115	1.2
215.06996	17.5
215.10570	3.5
217.04909	1.3
217.08551	11.0
223.07487	5.8
226.06198	3.9
230.05600	0.8
231.10107	14.1
241.08522	26.3
241.10806	1.3
259.09586	60.6
261.07437	2.6
277.10345	1.0
279.08588	16.5
297.09570	12.3
425.86508	0.7
433.14764	1.2
485.06137	0.9
524.44214	0.9
571.29688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04161	0.4
52.28183	0.5
53.00291	0.5
55.05500	0.9
57.07068	10.1
58.06580	2.6
58.27003	0.5
64.40668	0.6
64.43760	0.6
67.05499	0.6
69.49213	0.6
70.06575	22.1
71.08617	3.4
79.05466	1.0
79.77110	0.5
81.07022	2.2
88.07614	22.7
91.05475	0.8
92.08999	5.7
92.64793	0.6
93.07001	1.3
95.04957	0.9
95.08578	1.1
99.93596	0.6
102.09157	17.9
105.03368	22.1
105.07053	0.6
107.08598	0.9
109.10121	0.6
114.37861	0.7
131.04947	0.8
131.08534	0.7
133.10165	0.7
149.02342	17.9
149.05956	100.0
181.06549	3.7
193.04939	15.5
212.05647	0.6
217.44623	0.6
219.06371	0.8
256.26291	52.5
297.07498	17.8
341.10129	64.8
570.34131	98.2
571.34668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01860	2.4
55.05273	0.5
55.05509	12.1
56.05033	0.5
57.03437	4.4
57.03651	0.4
57.07052	1.0
59.04994	4.5
60.04547	0.4
61.02909	4.6
61.13082	0.4
62.26736	0.4
67.05488	6.5
69.03414	17.7
69.07057	10.4
71.04973	6.2
71.41534	0.5
73.02914	1.3
73.20351	0.6
73.43531	0.5
77.03916	0.5
79.05482	3.8
81.03396	10.5
81.07037	13.6
83.04964	18.6
83.08599	12.5
84.03952	0.5
84.04508	0.8
85.02889	39.5
85.06531	10.0
87.04469	2.1
91.03938	2.2
91.05454	5.7
91.06436	0.5
92.08974	2.6
93.07031	7.4
95.04945	5.0
95.08586	10.2
97.02868	13.8
97.06528	2.6
97.10149	3.4
99.04440	3.5
99.08063	5.4
101.06004	4.7
104.05298	1.1
105.03384	10.9
105.07012	7.8
106.03758	0.7
107.04924	3.1
107.08574	14.1
109.02872	10.6
109.06530	2.3
109.10142	32.7
111.04414	0.8
111.08067	3.3
111.11711	0.6
111.97974	0.5
113.05992	2.3
115.07551	0.6
117.06997	0.6
119.08562	7.5
120.08085	1.3
121.06473	0.9
121.10123	8.1
123.04390	2.2
123.08027	1.3
123.11674	15.9
125.09622	7.9
127.03896	12.3
127.07523	0.8
127.11164	12.8
129.06921	0.7
129.10211	0.6
131.08534	0.7
133.06483	2.3
133.10121	5.1
135.08069	0.6
135.11674	11.6
137.05971	1.2
137.09602	1.2
139.03896	0.9
139.11180	1.2
145.04970	6.2
145.06194	0.6
145.10126	1.1
147.11662	9.5
149.13248	4.8
151.07535	1.1
151.11179	5.1
153.09164	0.5
153.12737	5.1
161.05919	2.3
161.09694	0.6
163.07474	1.3
163.11221	0.7
165.09070	0.7
165.12698	3.8
167.07034	5.7
167.14276	13.5
169.12204	22.6
171.13748	2.5
175.07631	0.5
175.11139	1.0
175.14806	6.0
175.75842	0.6
177.09047	9.7
181.08560	3.4
183.13939	0.5
185.15343	6.1
189.09129	0.9
193.08598	3.5
193.15872	9.8
209.15367	3.7
211.16904	45.4
216.62062	0.5
221.11702	1.0
229.14310	2.5
229.17950	100.0
249.07504	1.3
267.08664	0.8
285.11224	0.7
319.15442	0.8
337.16425	3.3
355.17404	2.4
361.16360	6.9
391.23325	1.0
463.19858	0.7
481.20721	0.7
499.22055	0.8
505.85309	0.6
556.05804	0.6
570.16455	0.7
571.17377	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01871	3.1
55.05514	5.6
57.03429	5.5
59.04935	0.5
61.02920	1.2
67.05482	3.8
69.03064	1.2
69.03416	19.3
69.07047	1.0
70.06559	0.7
70.88541	0.5
71.04973	6.5
73.02899	1.5
73.55494	0.6
75.04456	4.2
77.03925	0.5
79.05475	26.1
81.03400	18.0
81.07036	7.6
83.04965	1.4
84.08099	0.7
85.02898	17.4
85.06535	1.1
87.04462	1.0
91.05466	13.7
93.07025	100.0
95.04962	5.9
95.08585	6.7
97.02867	14.7
97.06515	1.4
97.10134	1.1
98.06033	2.7
98.97628	0.9
99.04440	6.3
100.04726	1.0
105.03374	8.0
105.07008	10.9
106.03683	0.8
107.04952	2.4
107.08575	26.0
109.02853	8.8
109.06484	1.3
109.10145	2.9
110.06019	1.5
111.04427	3.4
111.08063	6.7
114.68937	0.6
115.03828	0.6
116.07058	1.0
117.07030	1.4
119.04937	0.7
119.08561	20.1
121.06503	4.4
121.10123	97.6
122.10485	1.4
123.04391	2.6
123.08049	2.7
123.11681	1.5
124.03874	0.8
125.05959	1.4
125.09557	1.0
127.03876	6.7
129.07001	3.1
131.08551	9.2
133.06503	0.8
133.10156	5.1
135.08084	0.9
135.11674	2.2
137.05940	5.4
137.09612	1.5
139.11163	4.6
145.02875	1.1
145.04959	3.2
145.06499	0.7
145.10126	1.4
145.43922	0.6
146.39783	0.7
147.08008	0.6
147.11652	1.5
149.05959	1.1
149.09602	21.7
151.04008	0.8
157.06531	0.8
157.10065	0.7
157.85275	0.6
159.07976	1.3
161.09613	0.8
163.11176	1.5
165.09097	2.5
165.44876	0.7
167.06981	3.3
167.10638	25.4
173.13264	0.9
174.06731	2.4
175.07550	0.9
175.11169	0.9
175.14767	1.0
177.05476	3.5
177.07224	0.6
181.04942	0.6
181.08672	0.8
181.12277	0.6
189.05370	0.7
189.09099	6.0
191.14273	1.0
193.08669	0.7
193.15842	0.9
201.05406	1.3
201.09175	2.4
211.13287	1.0
211.16910	1.1
219.08212	1.1
219.10141	14.5
227.16315	0.9
228.16805	1.0
229.14435	1.4
235.11179	0.6
240.07999	0.7
275.12778	1.0
281.10147	0.8
293.13806	11.8
303.15503	1.3
304.15771	0.9
311.14856	36.1
355.11240	0.7
361.16397	2.7
361.93906	0.8
373.18539	0.7
382.13361	0.7
553.93811	0.7
570.23267	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01850	0.3
55.05498	1.6
57.03415	1.4
60.93471	0.3
61.02910	0.6
67.05483	2.3
69.03407	4.0
69.07035	1.6
70.06560	0.6
71.04958	1.4
74.09705	0.5
79.05453	2.2
81.03418	2.6
81.07036	4.4
82.79094	0.3
83.04968	0.8
83.08604	0.5
84.08099	0.4
85.02892	6.1
85.06526	1.8
86.09691	0.4
89.38856	0.3
89.39411	0.3
91.05466	4.0
92.08612	0.6
92.09142	1.6
93.07026	3.0
95.04927	1.6
95.08588	3.7
97.02858	1.9
97.06512	0.5
99.04430	0.9
99.08051	0.5
103.05441	0.5
105.03371	6.3
105.07014	3.0
106.07379	0.4
107.04937	1.9
107.08561	2.6
109.02853	1.7
109.06504	0.9
109.10149	4.1
111.04379	0.4
111.08047	0.6
115.05417	1.5
117.03354	0.5
117.06979	1.5
119.08543	1.6
121.02863	0.4
121.06494	0.8
121.10104	2.1
123.04395	1.3
123.08038	0.6
123.11664	1.7
124.07534	0.4
125.09602	4.0
127.03891	0.6
128.06172	0.7
129.06987	10.0
130.07874	0.4
131.04912	2.5
131.07652	0.7
131.08551	12.3
133.10117	2.1
135.04346	0.4
135.07994	0.5
135.11668	2.0
137.05971	7.5
137.09567	1.5
139.11122	0.4
141.06972	7.3
143.04855	0.4
143.08536	0.6
144.05737	0.9
145.02815	0.6
145.04933	0.6
145.06442	1.8
145.10075	1.6
146.07207	0.5
147.04388	2.0
147.08038	0.4
147.11652	0.7
148.05211	0.6
149.05931	0.5
151.03908	0.5
151.07529	0.8
151.11194	0.5
155.05994	0.4
157.06461	8.9
158.07257	3.6
159.08031	11.4
159.11607	0.6
160.05179	1.7
161.05917	2.3
161.09596	2.4
161.13216	0.5
163.07474	1.5
163.11186	0.7
165.05476	0.5
165.09171	0.4
167.06976	5.8
169.06442	4.0
170.07230	1.6
171.07950	0.5
173.05905	0.7
173.09543	0.6
174.06725	22.8
175.07463	4.9
175.14772	0.5
177.05449	0.8
181.04895	0.6
184.07275	0.5
186.06715	5.2
187.07504	2.8
188.08305	0.4
189.09067	37.3
189.65891	0.4
190.09424	0.4
191.06975	0.5
191.10655	3.2
193.15884	0.6
201.09088	15.6
204.07722	2.0
207.10210	0.4
211.16849	2.5
219.10120	100.0
220.10469	0.8
229.17987	0.6
237.11122	1.6
249.07574	0.5
251.04512	0.4
301.21738	0.4
319.22525	0.5
337.23392	0.6
355.15347	0.9
373.16553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95938	0.2
53.03931	0.2
55.01859	0.6
55.05496	1.3
57.03418	0.7
61.02911	0.5
63.09439	0.2
67.05477	1.2
69.03419	2.0
69.07040	1.1
70.06580	0.3
71.04965	0.4
73.02885	0.3
79.05463	0.6
81.03379	1.2
81.07034	2.2
83.04955	0.4
85.02889	5.5
85.06515	1.4
91.05451	1.8
92.09031	1.4
93.07005	1.9
95.04964	0.3
95.08592	2.1
97.02876	2.0
97.06489	0.3
97.10136	0.3
99.04422	0.6
99.08082	0.3
103.05425	0.4
105.03355	0.5
105.06995	1.1
107.04879	0.4
107.08558	1.8
109.02873	0.6
109.10136	2.1
111.08064	0.3
115.05405	1.1
116.31467	0.3
117.03372	0.5
117.06968	1.1
119.04899	0.3
119.08546	1.7
120.08081	1.7
121.06512	0.3
121.10123	1.8
123.08038	0.4
125.09599	1.8
127.03849	1.1
128.06195	1.7
129.06973	11.3
130.05016	0.4
131.04884	1.4
131.08546	10.3
133.10110	1.6
135.11656	2.5
136.07567	0.6
137.05956	3.8
137.09596	1.1
141.06973	8.2
143.08539	0.5
144.05666	1.1
145.02823	2.5
145.04880	0.4
145.06485	1.3
145.10121	0.6
146.07237	0.5
147.04378	0.6
147.07898	0.3
149.05954	0.4
151.11191	0.4
157.06465	8.9
158.07248	3.7
159.08026	11.5
160.05162	0.6
161.05931	0.6
161.09573	1.3
163.07475	0.7
165.09093	0.4
166.19308	0.2
167.07047	1.1
169.06444	4.6
170.07228	2.2
171.08011	0.4
173.05951	0.5
173.09508	0.4
173.31934	0.3
174.06729	20.0
175.07498	4.8
175.14729	1.3
176.08296	0.3
177.05437	4.0
182.09120	0.3
183.08009	0.4
186.06717	4.6
187.07469	0.6
188.08249	1.1
189.09071	38.6
191.07007	0.4
191.10622	3.0
193.15807	1.4
201.09090	13.6
207.10275	0.5
210.15671	0.4
211.16861	1.8
218.79707	0.3
219.10129	100.0
220.10478	1.1
237.11166	1.4
249.11182	0.5
339.10361	0.3
412.50351	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.3
55.05483	1.5
55.86532	0.3
56.09883	0.3
57.03421	0.7
61.02930	0.5
67.05502	0.6
69.03421	2.8
69.07034	1.4
69.67975	0.3
70.06571	0.6
71.04976	0.5
79.05453	1.6
81.03408	0.9
81.07030	2.1
83.04944	0.7
85.02884	7.3
91.05446	1.7
92.08643	0.3
92.09148	0.8
93.07005	2.6
95.04920	0.5
95.08579	1.5
97.02885	1.8
97.10145	0.4
99.04382	0.4
103.05480	0.4
105.03353	0.4
105.07020	1.5
107.04900	0.5
107.08567	1.8
109.02853	0.8
109.06496	0.6
109.10128	2.4
111.04369	0.4
111.08046	0.4
114.22806	0.4
115.05428	0.8
117.03366	0.4
117.07037	1.3
119.08560	2.0
120.08065	0.6
121.10127	1.4
123.07984	0.5
125.09612	0.9
127.03911	2.0
128.06224	1.6
129.07001	10.1
130.07793	0.5
131.04895	1.8
131.08546	12.9
133.10118	2.0
135.08052	0.4
135.11641	2.3
136.07565	0.6
137.05969	3.5
141.06961	7.5
143.08426	0.4
144.05640	0.7
145.02824	2.3
145.04993	0.4
145.06467	0.6
145.10039	0.6
147.04320	0.5
147.11658	0.6
151.11215	0.5
157.06458	10.0
158.07289	3.6
159.08028	10.0
160.05161	1.8
161.09618	0.9
163.07455	0.5
167.06967	1.7
169.06422	4.4
170.07198	1.8
171.04341	0.4
173.09621	0.6
174.06738	20.7
174.08228	0.8
175.07533	5.8
175.14806	1.4
177.05394	4.3
184.07310	0.5
186.06749	5.2
187.07552	0.6
188.08315	0.9
189.09074	39.4
191.10648	3.5
193.15855	1.6
201.09059	14.4
201.10886	0.6
211.16853	1.8
219.10132	100.0
220.10405	0.6
237.11182	0.8
244.75380	0.4
249.11108	0.4
271.87524	0.4
360.78922	0.4
371.30267	0.3
476.57938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97955	0.4
53.03941	2.2
54.81974	0.4
55.01867	1.2
55.05506	1.3
57.03428	0.9
61.02920	1.2
67.01849	10.8
67.05483	0.8
69.03417	9.5
69.07033	1.0
71.04977	3.1
73.02873	0.6
76.34005	0.5
79.05478	3.3
81.03398	11.7
81.07036	3.8
83.04977	0.8
85.02892	12.0
86.09715	0.9
91.05457	7.8
92.08919	2.3
93.07012	5.7
95.04966	3.5
95.08586	3.0
97.02865	13.3
97.06523	0.7
97.10164	1.0
99.04451	3.8
100.98717	0.5
103.05464	3.9
104.10730	1.3
105.03386	0.8
105.06996	4.7
107.04944	11.6
107.08575	3.0
109.02859	20.5
109.10143	2.3
111.08070	0.5
114.37575	0.6
114.82587	0.5
115.05475	0.5
117.07016	2.1
119.04934	2.4
119.08563	1.0
121.06470	8.4
121.10140	0.7
123.04420	3.3
123.11668	0.8
124.05211	2.1
125.05961	1.3
125.09626	1.8
127.03891	37.4
128.06259	0.8
129.06969	9.0
131.04909	5.1
131.08543	4.6
133.02888	0.7
133.06488	1.3
133.10152	0.9
135.04387	1.3
135.08029	3.6
135.11670	0.7
137.05957	6.1
139.03902	2.0
140.04639	1.1
145.06491	2.4
147.04398	1.1
147.08040	0.9
148.05176	0.9
149.06010	2.3
150.06686	0.5
151.03949	2.1
151.07527	7.7
152.04628	1.0
153.05452	3.3
153.12746	0.7
157.06444	9.1
159.08017	0.6
161.05949	18.0
161.09558	5.6
163.07512	8.0
165.06923	1.2
165.09056	4.4
165.93776	0.7
166.06223	4.9
166.07616	0.6
167.07002	39.9
167.08302	1.5
169.04939	2.2
169.06384	0.6
174.06764	5.0
175.07535	5.4
177.09082	5.7
179.07054	1.3
179.08560	1.0
179.10741	0.5
181.06375	1.1
181.06644	1.2
181.08562	31.6
182.07292	1.0
183.08073	0.5
187.05971	2.6
187.07539	0.9
189.09070	28.3
191.06963	1.2
191.08519	1.9
191.10536	0.6
193.06473	1.0
193.08612	1.2
194.07274	0.7
195.08031	5.5
195.09842	0.8
197.09598	4.3
205.06451	0.6
207.08212	1.1
207.10162	4.2
208.08788	2.1
210.06708	1.3
211.07550	1.0
212.08170	0.6
219.08022	2.6
219.10139	2.3
221.05927	1.1
223.07629	4.3
223.11101	2.2
225.09052	8.3
227.07004	1.2
229.07077	1.2
229.12096	0.8
235.07596	0.8
236.08296	1.2
236.83206	0.6
237.09044	3.0
239.07135	0.9
239.10608	1.1
240.07730	2.2
241.08510	1.2
243.10599	0.5
247.08093	5.9
251.06918	2.8
251.10757	4.4
253.08572	5.0
255.06500	1.3
255.10172	3.2
257.11606	6.4
265.08548	2.2
267.10104	1.1
268.07336	1.0
269.07999	1.1
270.08734	1.2
279.10065	2.6
281.08310	0.7
283.09613	6.2
283.13269	4.6
285.11154	12.2
296.10321	0.9
297.11099	1.2
299.09299	1.0
299.12653	0.9
302.11551	1.2
311.12686	2.7
315.12213	8.1
317.13739	6.9
319.22595	0.9
329.13574	0.9
337.23599	1.0
343.15329	8.7
355.24854	1.3
361.16382	100.0
367.74655	0.6
373.16473	2.3
385.49069	0.6
552.64392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62773	0.3
53.03925	1.5
54.21388	0.3
55.01850	1.4
57.03409	1.6
58.23868	0.3
61.02896	2.4
67.60412	0.3
67.89796	0.4
68.73008	0.4
69.03409	3.8
71.04967	0.8
73.02868	0.5
73.50927	0.3
78.04681	0.4
79.05469	3.0
81.03388	2.5
81.07017	1.6
83.04947	0.7
85.02886	13.5
86.92944	0.5
91.03960	0.5
91.05459	7.9
92.09006	0.9
93.07021	6.1
95.04960	2.9
95.08586	0.7
97.02861	3.5
99.04411	0.6
103.05465	4.1
105.03366	0.7
105.07017	5.6
106.04095	0.4
107.04935	14.0
107.08569	0.6
109.02840	0.6
109.06448	1.4
111.04438	0.5
115.05416	0.9
117.06982	2.3
118.29061	0.5
119.04907	3.3
119.08569	2.3
120.05661	0.5
121.06477	10.5
121.10081	0.6
123.04395	4.3
123.08050	0.4
124.05179	2.5
125.05943	1.6
127.03896	2.0
127.87319	0.5
128.06190	2.6
129.06969	12.2
131.04889	4.6
131.08531	5.5
132.05681	0.4
133.02856	0.4
133.06459	2.9
135.04399	0.8
135.08025	3.5
136.05121	0.4
137.05942	8.6
138.06726	0.7
140.04684	0.6
143.04865	0.7
143.08530	0.4
145.02835	2.1
145.04948	1.4
145.06451	2.9
146.07274	1.6
147.04411	2.0
147.08032	1.5
148.05127	2.3
149.05939	5.1
149.09624	0.5
151.03864	1.7
151.05658	0.4
151.07516	11.6
152.04655	1.9
153.05449	6.4
155.07002	0.7
157.06445	12.3
158.07178	0.8
159.08043	1.5
160.05180	0.6
161.05948	19.1
161.09584	6.3
163.07495	10.8
165.06953	2.2
165.09053	5.0
166.06216	7.2
167.06999	52.0
167.08322	1.8
169.06493	0.5
169.10059	0.5
173.05896	0.8
174.06718	6.2
175.07504	8.6
177.05446	5.3
177.06842	0.7
177.09062	7.6
179.07094	1.1
179.08543	2.2
179.10608	0.5
180.08719	0.6
181.08546	45.9
182.07228	2.5
183.07968	0.6
187.07458	0.5
188.08377	0.4
189.09064	35.9
191.06978	2.3
191.08475	1.5
191.10638	0.7
193.06448	0.9
193.08485	1.5
194.07268	0.7
195.08018	4.8
195.09799	0.6
196.08708	0.5
197.05928	0.4
197.09612	5.8
199.28751	0.5
201.09073	0.7
203.08549	0.5
203.10498	0.5
205.06505	0.6
207.08110	0.9
207.10063	5.8
208.08803	0.8
209.06100	0.4
209.09544	0.7
210.06696	3.6
211.07509	1.6
212.08286	0.5
213.09076	0.7
219.08006	2.2
219.10130	4.8
221.05940	3.5
221.09457	0.7
222.06766	0.9
223.07550	3.0
223.11131	2.2
224.08238	1.4
225.09048	10.0
226.09802	0.8
227.06975	1.7
227.10628	0.6
229.12170	2.0
229.14339	0.6
235.07448	1.7
236.08322	1.6
237.05402	0.6
237.09134	0.7
239.06871	0.9
239.10594	2.4
240.07675	1.9
241.08495	1.6
242.09267	0.8
247.07477	0.9
249.09081	0.5
251.06932	3.0
251.10596	3.3
252.07596	0.4
253.08519	7.0
254.09280	1.6
255.06453	1.9
255.10126	4.1
257.08206	0.6
257.11639	9.7
261.09299	0.4
263.10577	0.5
265.08469	2.3
267.06558	0.6
267.10077	2.0
268.07196	0.7
269.07947	0.7
270.08841	2.5
271.13205	1.8
279.10117	2.4
280.10831	0.4
281.08157	0.6
282.08734	0.5
283.09607	6.6
283.13208	5.6
285.07977	1.1
285.11136	17.4
296.10394	1.5
297.11118	2.9
299.08987	1.9
299.12695	2.1
300.09882	0.8
301.14108	0.6
302.11392	3.3
305.13910	0.9
311.12711	3.8
315.12225	8.9
317.13766	11.8
327.12338	0.5
328.12946	0.9
329.13843	1.5
331.15280	2.5
343.15308	15.6
361.16367	100.0
362.16592	0.5
373.16275	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	570.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.3
55.05483	1.5
55.86532	0.3
56.09883	0.3
57.03421	0.7
61.02930	0.5
67.05502	0.6
69.03421	2.8
69.07034	1.4
69.67975	0.3
70.06571	0.6
71.04976	0.5
79.05453	1.6
81.03408	0.9
81.07030	2.1
83.04944	0.7
85.02884	7.3
91.05446	1.7
92.08643	0.3
92.09148	0.8
93.07005	2.6
95.04920	0.5
95.08579	1.5
97.02885	1.8
97.10145	0.4
99.04382	0.4
103.05480	0.4
105.03353	0.4
105.07020	1.5
107.04900	0.5
107.08567	1.8
109.02853	0.8
109.06496	0.6
109.10128	2.4
111.04369	0.4
111.08046	0.4
114.22806	0.4
115.05428	0.8
117.03366	0.4
117.07037	1.3
119.08560	2.0
120.08065	0.6
121.10127	1.4
123.07984	0.5
125.09612	0.9
127.03911	2.0
128.06224	1.6
129.07001	10.1
130.07793	0.5
131.04895	1.8
131.08546	12.9
133.10118	2.0
135.08052	0.4
135.11641	2.3
136.07565	0.6
137.05969	3.5
141.06961	7.5
143.08426	0.4
144.05640	0.7
145.02824	2.3
145.04993	0.4
145.06467	0.6
145.10039	0.6
147.04320	0.5
147.11658	0.6
151.11215	0.5
157.06458	10.0
158.07289	3.6
159.08028	10.0
160.05161	1.8
161.09618	0.9
163.07455	0.5
167.06967	1.7
169.06422	4.4
170.07198	1.8
171.04341	0.4
173.09621	0.6
174.06738	20.7
174.08228	0.8
175.07533	5.8
175.14806	1.4
177.05394	4.3
184.07310	0.5
186.06749	5.2
187.07552	0.6
188.08315	0.9
189.09074	39.4
191.10648	3.5
193.15855	1.6
201.09059	14.4
201.10886	0.6
211.16853	1.8
219.10132	100.0
220.10405	0.6
237.11182	0.8
244.75380	0.4
249.11108	0.4
271.87524	0.4
360.78922	0.4
371.30267	0.3
476.57938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.00270	0.4
53.03939	0.6
55.01867	1.7
57.03427	1.9
58.38743	0.3
61.02912	0.8
69.03419	3.0
69.07070	0.4
73.02888	0.4
79.05467	5.9
81.03392	6.9
84.08139	0.9
85.02891	7.8
88.34356	0.4
91.05453	4.3
92.08782	0.9
92.09288	0.6
93.07059	1.5
95.04942	2.6
97.02881	3.0
98.97588	0.4
103.05439	13.2
105.07007	15.5
107.04933	100.0
107.08590	0.7
109.02901	0.9
115.05431	5.2
117.06994	2.9
118.04161	0.5
120.05677	3.0
121.06483	3.7
123.04366	2.8
124.05168	1.0
124.07540	1.8
125.02388	0.6
125.06001	0.6
127.03928	1.0
131.04904	6.8
133.06448	14.3
135.04408	0.6
135.08022	35.4
136.06142	3.0
137.05945	2.9
143.06042	0.9
145.04935	0.8
145.07545	3.8
147.04347	0.8
149.05956	6.1
151.03912	0.6
152.04668	0.6
154.06256	2.5
161.05940	17.1
163.03874	1.7
163.07498	90.6
165.05408	0.7
166.06290	0.5
167.06996	67.6
180.07822	2.7
181.08545	9.2
193.08559	9.1
195.10123	67.4
211.09590	9.8
213.11171	1.9
219.01784	0.4
237.02724	0.7
251.82253	0.5
291.12149	4.1
373.14719	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	570.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
54.81818	0.2
55.01863	2.3
55.05515	0.2
55.16940	0.1
57.03427	5.6
59.05003	0.2
60.08126	0.2
61.02915	10.0
65.03920	0.8
69.03416	16.6
71.01335	0.3
71.04966	1.9
72.68153	0.2
73.02905	3.7
76.56573	0.2
79.05480	0.9
81.03399	8.8
81.07049	0.2
83.01342	0.4
83.04964	0.8
85.02888	82.1
85.08851	0.2
86.09681	0.4
87.04450	2.5
91.03947	3.7
91.05460	100.0
92.05779	0.3
92.08805	0.6
92.09305	0.3
95.04953	1.1
97.02868	24.8
99.04440	3.8
101.02390	0.4
103.03928	1.0
105.03372	13.6
106.03706	2.2
107.04932	5.0
109.02859	8.2
111.04418	0.7
115.03908	0.9
119.20638	0.2
123.04440	0.8
124.99980	0.3
127.03893	15.7
129.05484	0.9
145.04936	21.1
163.05986	7.5
175.06343	0.2
177.05516	0.3
184.07330	1.8
229.08565	3.1
246.90260	0.2
249.07591	1.1
250.07965	0.3
251.08757	0.2
267.08615	1.0
268.08914	0.4
269.10110	1.2
281.24240	0.2
287.11230	0.3
325.54434	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.3
53.00285	0.4
53.03712	0.4
53.03939	5.3
55.01868	1.7
55.05494	0.5
57.03419	1.0
61.02904	1.1
63.41360	0.2
67.01851	31.4
67.05485	0.4
69.03413	23.4
69.07056	0.4
71.04615	0.3
71.04978	6.9
81.03397	34.2
81.07035	0.6
83.04949	1.0
83.08593	0.5
85.02887	8.0
85.06519	0.4
91.05427	0.3
92.08965	0.3
93.07008	0.6
95.08585	1.5
97.02866	24.8
97.10128	0.3
99.04429	12.7
101.02370	0.4
103.03870	0.3
105.03360	1.2
105.07024	0.4
107.08539	0.4
108.04464	1.6
109.02859	63.9
109.10149	1.7
110.03674	0.2
111.04410	0.9
115.03909	1.6
119.04876	0.3
119.08576	0.3
121.02831	0.3
121.10107	0.4
122.98058	0.2
123.04370	0.4
123.11649	0.5
127.03888	100.0
127.11166	0.4
128.04243	0.3
133.10013	0.3
135.11621	0.3
137.05959	0.4
139.03874	5.6
145.04926	1.4
147.04395	1.5
147.11656	0.4
151.11183	0.2
167.14316	0.3
169.04918	9.7
169.12183	1.2
185.15192	0.3
187.05983	8.9
189.05423	0.3
193.15865	0.3
211.16844	2.3
217.04887	0.3
223.07587	0.3
229.07056	4.7
229.17969	4.8
235.06067	0.5
247.08055	13.4
289.09256	0.3
295.07831	0.3
310.58279	0.3
421.94241	0.2
443.29309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.05506	0.7
57.03418	0.9
57.17460	0.3
67.05482	2.3
69.03393	1.0
69.07046	0.9
79.05456	1.7
81.03397	1.6
81.07035	2.4
82.07341	0.3
83.04999	0.5
83.57503	0.4
85.02864	0.5
91.05468	1.9
92.08678	1.0
92.09294	1.6
93.07022	2.4
95.04954	1.7
95.08578	2.1
97.02871	1.5
97.06484	0.7
97.10133	0.4
99.04430	0.4
105.03378	5.8
105.06982	1.6
107.08546	0.7
109.06508	0.7
109.10183	0.7
109.88771	0.3
117.05460	1.6
119.08562	2.0
121.02845	1.0
121.10139	0.6
123.04460	0.5
131.08517	0.8
133.10106	0.9
135.08084	0.5
137.05954	0.7
143.08551	0.7
145.10156	0.9
153.01810	2.1
171.11586	0.7
173.13385	0.5
184.07225	0.6
203.05254	2.1
216.42299	0.5
235.13292	2.5
249.07697	0.4
259.07922	1.6
287.05475	0.8
303.08539	0.6
325.16061	0.5
369.17456	0.4
407.23953	2.1
407.79752	0.5
457.20480	3.8
471.22104	4.4
487.21399	1.7
569.29218	100.0
570.29596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.4
54.82045	0.3
55.01859	0.4
55.05503	1.4
57.03425	0.9
59.04659	0.3
67.05498	2.5
69.03411	1.6
69.07046	1.5
71.04975	0.4
74.51037	0.4
74.98746	0.3
79.05472	2.3
81.03406	0.8
81.07018	2.5
82.95488	0.3
83.08588	0.4
85.02873	0.7
86.09747	0.4
91.05447	0.7
93.07018	1.6
95.04945	3.7
95.08591	2.2
97.02876	0.4
97.06529	0.5
105.03376	9.0
105.06999	2.1
106.03669	0.7
107.08588	2.0
109.10155	0.6
117.06997	0.5
119.08536	2.5
121.10135	1.4
123.04406	1.5
123.08080	0.5
126.38546	0.3
127.03876	0.5
131.08528	1.6
133.10100	0.9
135.04352	0.4
139.03911	0.6
143.08551	0.5
145.10175	0.8
147.11691	0.8
154.34407	0.3
157.06526	0.4
159.11650	0.6
161.09517	0.4
171.11818	0.4
175.14824	0.5
184.07269	0.6
189.05353	0.8
203.05289	0.8
235.13313	0.8
259.07892	1.8
266.38492	0.4
279.08652	2.3
365.10608	3.1
407.24057	2.0
438.89853	0.4
457.20609	2.9
471.21909	4.5
487.21436	0.7
513.40479	0.4
569.29205	100.0
570.30176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66899	0.9
53.03909	1.1
55.05505	18.8
57.03415	5.8
57.07050	5.3
57.11105	1.0
59.04982	1.8
61.02910	1.7
61.44352	1.0
67.05497	8.8
69.03412	18.3
69.07051	17.9
70.06567	1.8
71.04965	6.5
72.99279	1.1
73.02888	1.1
77.03909	1.1
79.05477	9.7
81.03398	4.0
81.07032	19.3
83.04962	13.4
83.08598	17.0
85.02885	33.1
85.06528	8.1
88.62090	1.1
91.03909	1.2
91.05447	13.6
92.08977	6.3
93.07017	31.6
95.04944	67.1
95.08585	14.7
96.05239	1.7
97.02842	9.7
97.06493	21.2
97.10127	1.4
99.04425	17.6
99.08055	2.1
105.07012	29.5
106.07332	1.6
107.07870	2.1
107.08573	56.6
109.02874	4.5
109.06502	30.3
109.10129	21.4
111.08062	7.2
115.07542	9.2
117.06993	1.5
119.08546	31.7
120.08904	4.4
121.06477	1.3
121.10117	91.9
122.10484	1.6
123.08033	2.5
123.11672	6.5
125.09588	7.3
127.03878	5.9
129.06963	1.7
131.08536	18.0
133.10101	53.1
134.10440	1.9
135.08020	8.2
135.11661	11.3
135.70226	1.0
137.05899	1.1
139.11110	2.2
143.08542	5.6
145.04942	5.8
145.10104	13.8
147.11647	24.3
149.09589	2.4
149.13251	11.3
151.11137	17.0
153.09091	20.9
154.05324	1.0
158.10864	9.6
159.11230	1.1
163.06088	1.4
163.14763	21.8
165.12663	1.9
167.07010	2.2
167.14290	17.2
173.13203	39.9
174.13562	5.7
175.14780	23.9
176.15123	8.8
191.14275	34.2
192.14700	1.5
207.06497	1.6
209.15323	100.0
210.15627	2.1
227.16385	29.3
272.78625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01887	0.8
55.05506	34.2
57.03410	3.2
59.04989	3.5
61.02911	3.3
67.05490	5.8
69.03419	9.4
69.07050	7.5
70.06573	0.7
71.04981	6.3
73.02894	1.5
79.05464	4.0
81.03407	0.9
81.07050	8.8
83.04964	19.4
83.08606	27.7
84.08150	1.3
85.02892	25.6
85.06519	3.6
88.52843	0.7
89.03915	0.9
90.49185	0.6
91.05445	3.2
93.07025	13.7
95.04951	25.4
95.08594	14.9
97.02854	6.2
97.06519	7.4
97.10168	1.9
99.04446	9.0
105.07019	9.3
107.06683	0.9
107.08582	28.0
109.02895	2.9
109.06502	11.1
109.10148	18.3
111.08067	7.7
113.09622	0.8
115.07516	1.3
119.08578	9.1
120.08117	0.8
121.10124	49.2
123.08029	1.7
123.11684	5.4
125.09605	7.7
127.03896	6.1
130.50319	0.8
131.08549	7.3
133.10104	22.3
135.04388	1.8
135.08011	3.4
135.11662	4.5
139.11153	37.6
141.09180	0.8
144.74391	0.9
145.02846	1.5
145.04970	5.9
145.10043	5.3
147.04433	0.9
147.11670	7.6
149.09660	1.0
149.13237	9.2
151.03882	0.8
151.11172	29.4
153.09077	9.5
157.12256	1.2
158.10881	1.3
163.03896	15.0
163.05989	0.9
163.14833	7.1
164.04164	1.2
167.14281	38.4
173.13246	16.6
175.03902	0.8
175.14824	4.2
191.14310	13.0
207.06567	1.4
209.15338	100.0
227.16377	15.7
259.18384	1.2
343.13638	0.9
520.20276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62004	0.2
51.02368	0.4
53.03938	5.8
53.52311	0.2
55.01860	0.4
56.47449	0.2
57.03421	1.2
64.33219	0.3
67.01851	2.1
67.05485	0.5
69.03068	0.4
69.03413	6.8
69.07033	0.2
71.04981	1.2
73.02902	0.4
77.03896	0.3
77.14481	0.3
77.15003	0.3
79.05471	4.7
81.03400	18.1
81.07040	0.6
83.04955	0.5
85.02433	0.3
85.02898	5.1
89.03875	0.5
91.05451	0.4
92.09204	1.3
93.07008	0.4
95.04948	9.9
95.08586	0.5
97.00697	0.2
97.02872	9.9
99.04449	2.8
105.03375	100.0
105.07036	0.6
107.04932	0.5
107.08579	0.4
109.02864	7.6
111.04443	2.2
117.03359	1.5
119.08552	0.5
121.10095	0.4
123.04408	6.5
125.02320	1.0
127.03891	5.2
135.04382	4.8
137.02318	0.3
137.05928	0.7
139.03880	0.5
145.02834	6.0
145.04933	1.3
145.10158	0.4
159.04460	0.5
163.03876	27.4
165.05531	0.4
167.03369	47.3
179.03403	0.4
185.04369	4.0
187.03882	0.6
193.04968	2.0
205.04958	1.3
209.04416	2.7
233.04373	0.4
249.07539	14.0
267.08563	2.2
275.05484	0.6
284.25372	0.3
285.07547	0.5
303.08575	42.8
345.09726	0.7
411.10468	0.7
460.48337	0.4
492.17291	0.4
527.88483	0.4
569.33112	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87708	0.3
53.03939	5.2
54.32300	0.2
54.53728	0.2
54.81679	0.3
55.01858	0.7
55.05503	0.6
57.03428	1.8
61.02934	0.3
65.03932	0.3
67.05488	1.5
69.03417	7.3
69.07065	0.5
71.04975	0.5
72.29571	0.3
73.02903	0.4
77.03923	0.5
79.05479	5.2
80.05836	0.4
81.03403	17.9
81.07040	1.8
83.04967	0.5
83.08620	0.3
85.02894	7.5
85.06543	0.7
86.09684	0.5
91.05454	1.7
92.08823	1.4
93.03422	0.3
93.07040	1.9
95.04950	9.2
95.08585	1.8
97.02876	10.6
97.06522	0.4
99.04440	2.5
105.03376	100.0
105.04521	3.4
105.06994	4.8
106.03708	3.9
106.07376	0.3
107.04927	0.3
107.08569	1.6
109.02866	8.8
109.10149	1.1
111.00816	1.1
115.05396	0.6
117.05483	0.6
117.06970	0.4
119.08559	1.8
121.02812	1.3
121.10147	1.3
123.04398	6.6
123.07998	0.3
123.11704	0.5
127.03898	5.8
129.07019	0.3
131.04881	0.5
131.08571	0.5
133.06487	2.9
133.10135	1.1
135.04449	0.7
135.07988	0.3
137.02313	3.8
137.05951	0.6
138.33411	0.3
145.02817	0.4
145.04906	2.3
145.10152	0.4
146.03598	1.8
147.04382	0.7
147.11659	0.5
153.01801	4.2
159.11653	0.3
161.05997	4.3
162.06311	0.4
163.03886	1.4
165.01813	2.0
167.06973	1.1
169.59711	0.3
171.11665	0.4
173.05963	0.4
177.05405	0.4
178.06223	9.5
179.06525	1.9
183.02834	0.6
183.11668	0.3
184.07257	0.4
191.07013	0.6
193.08551	4.4
194.08897	1.2
201.05402	2.0
223.42097	0.3
229.04916	5.4
231.06703	0.3
247.06017	0.3
249.07515	11.2
250.07829	1.7
257.04532	3.3
267.08612	5.2
267.12119	0.6
268.08884	1.3
268.12253	0.3
274.04715	0.5
285.03885	1.8
303.04941	80.7
304.05405	0.5
422.43591	0.4
568.17926	0.3
569.17590	0.4
569.29193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.4
53.03939	5.7
54.81972	0.2
55.01859	0.5
56.21858	0.2
57.03421	1.4
60.77209	0.2
61.02887	0.3
63.82605	0.2
67.05503	0.5
69.03414	8.3
71.04971	1.4
73.02879	0.3
77.03910	0.4
78.74532	0.2
79.05476	4.9
81.03401	18.6
81.07033	1.5
82.03765	1.0
83.04970	0.4
85.02885	6.6
85.06552	0.5
86.09710	0.3
91.05462	1.3
92.08583	0.2
92.09106	1.2
93.07023	1.0
94.83681	0.2
95.04946	9.0
95.08581	1.3
97.02866	11.1
98.03171	0.3
99.04433	2.6
105.03374	100.0
105.07005	2.0
106.03702	5.3
107.08575	1.1
109.02860	7.7
109.06524	0.3
109.10133	0.4
111.00782	0.5
117.05472	1.3
119.04976	0.2
119.08547	1.0
121.02833	0.9
121.10136	0.9
123.04385	5.9
123.08044	0.3
124.04693	0.3
127.03910	4.7
128.04161	0.3
129.07011	0.3
131.08575	0.4
133.06483	0.5
133.10086	1.0
135.04411	0.4
135.11621	0.3
137.02287	3.1
137.05972	0.3
144.08774	0.3
145.04967	1.2
145.10165	0.5
145.64767	0.3
146.03616	0.3
147.04395	0.4
147.11731	0.3
149.06012	0.4
153.01820	3.8
159.11703	0.4
161.05933	1.0
161.13231	0.4
163.03905	0.4
165.01830	2.0
167.07027	0.4
175.14851	0.5
177.05394	0.3
178.06181	2.2
179.06595	0.4
183.02870	0.4
187.14792	0.2
193.08611	1.1
201.05458	2.0
219.06548	0.3
229.04904	4.1
247.05917	1.0
249.07526	14.1
250.07861	2.0
257.04413	2.7
267.08575	6.1
268.09009	1.7
274.04630	0.5
285.03845	0.6
303.04935	76.6
415.99417	0.3
527.84680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26181	1.2
53.03931	2.3
55.05506	14.2
57.07063	8.7
65.03927	2.1
67.05492	17.4
69.03430	1.7
69.07054	12.9
79.05470	28.9
80.06247	2.1
81.07036	34.6
83.04958	1.6
83.08575	3.8
85.06528	2.9
91.05453	50.5
92.06267	2.2
92.08721	7.9
92.09339	4.4
93.07024	54.9
94.58389	1.6
95.04333	2.7
95.04937	55.3
95.05505	2.2
95.08585	31.9
103.05495	2.0
105.07008	89.6
106.07796	2.6
107.08575	47.1
108.40196	1.6
109.06493	9.6
109.10143	21.6
113.68126	1.6
115.05432	2.9
115.87376	1.7
116.06204	1.8
117.06980	33.7
118.07755	1.6
119.08556	100.0
120.09324	3.2
121.10127	29.6
123.08076	14.1
123.11683	2.3
127.98811	1.6
128.06201	9.6
129.06996	21.5
130.07782	11.5
131.08549	57.3
132.09332	8.4
133.10107	49.5
134.10852	4.0
135.08026	7.2
135.11661	14.1
137.09604	3.5
138.10387	3.3
141.07014	3.3
142.07764	18.4
143.08537	46.7
144.09351	12.8
145.10106	90.1
146.10864	2.9
147.08040	1.9
147.11652	22.7
149.13287	3.1
153.07031	2.4
154.07782	3.6
155.08522	17.6
156.09280	15.9
157.10114	50.7
158.10886	13.0
159.11674	38.1
160.12477	2.1
161.09665	3.1
161.13225	4.0
166.07700	2.1
167.08565	10.9
168.09276	3.1
169.10080	30.7
170.10896	9.4
171.11647	34.4
173.13219	22.8
175.14812	10.4
177.12729	3.4
179.08510	11.6
180.09314	7.0
181.10095	15.5
182.10904	10.0
183.11641	28.8
184.12450	2.9
185.13255	20.6
187.14780	8.9
189.12805	2.2
191.14246	8.8
193.10114	8.0
194.10869	11.6
195.11703	21.5
196.12465	9.2
197.13197	25.9
198.14015	2.9
199.14745	11.6
201.16241	3.7
203.14410	2.7
206.10773	2.1
207.11693	8.8
208.12474	3.5
209.13266	22.1
210.13997	2.2
211.14827	10.1
213.16373	3.8
217.15863	3.1
219.11696	2.9
220.12411	2.5
221.13254	8.8
223.14774	7.4
225.16357	6.7
233.13310	3.0
235.14813	2.2
237.16315	8.6
239.18018	2.2
245.13234	2.9
249.16280	3.1
251.17949	2.1
263.17917	3.0
265.19519	2.0
277.19342	1.7
283.20569	2.3
305.22931	2.5
323.23645	3.5
338.25995	36.2
404.66507	2.3
430.32025	12.2
476.36282	20.8
568.42535	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41593	0.5
53.03928	3.0
55.01858	2.5
55.05259	0.8
55.05501	11.6
57.03416	4.4
57.07064	1.4
59.04985	1.0
59.64893	0.4
60.06610	0.5
60.66002	0.5
61.02907	6.1
67.05492	4.4
69.03062	1.0
69.03415	19.0
69.07059	5.6
70.06580	2.8
71.04980	3.6
73.02911	2.8
79.05480	7.8
79.37748	0.5
79.76499	0.4
81.03398	8.2
81.07035	5.4
83.04455	1.1
83.04961	32.9
83.08611	7.0
85.02885	69.2
85.06541	2.5
87.04462	1.4
91.03941	2.9
91.05462	5.9
92.08746	0.7
92.09258	1.2
93.07019	10.7
95.04939	6.0
95.08566	9.2
97.02863	17.4
97.06526	3.0
97.10155	3.6
99.04427	4.9
101.02380	0.6
105.03370	47.3
105.07011	6.6
107.08570	77.1
109.02867	8.5
109.06508	6.8
109.10123	8.9
111.08057	15.1
113.06003	3.0
117.06982	1.0
117.36079	0.5
119.08540	6.8
121.06544	1.7
121.10109	16.9
123.04438	4.8
123.08043	3.7
123.11660	1.1
125.09592	4.2
127.03883	16.6
127.07532	4.5
131.08533	5.5
133.10104	28.4
135.08029	7.2
135.11667	8.7
137.09584	7.7
139.11122	1.0
145.04932	13.9
145.10127	2.7
147.11671	7.2
149.09613	3.5
149.13211	10.6
149.14153	0.6
151.11145	13.4
152.25360	0.6
153.09081	20.5
158.10902	3.6
163.05984	6.0
163.14792	4.5
173.13194	17.3
175.14740	5.0
191.14267	100.0
196.56566	0.6
209.15341	30.1
227.16461	0.9
249.07552	6.1
267.08566	10.7
271.07928	0.8
323.00211	0.6
325.10950	0.8
389.36014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.6
53.03936	2.7
55.01873	3.1
55.05503	4.6
57.03425	3.2
57.07068	3.1
61.02915	4.3
65.82384	0.6
66.19012	0.5
67.05490	8.6
69.03416	57.9
69.06716	0.6
69.07057	10.4
70.06569	0.7
70.29671	0.5
71.04980	3.1
73.02901	2.5
79.05474	9.4
79.14944	0.6
79.18878	0.6
81.03391	6.7
81.07040	21.7
83.04957	3.5
83.08613	4.3
85.02888	38.1
85.06531	2.6
87.04454	3.1
91.03930	2.6
91.05461	17.4
92.08971	1.3
93.06477	1.1
93.07022	19.6
93.07572	1.2
95.04953	4.5
95.08580	16.1
97.02879	11.3
97.06512	3.6
99.04453	3.0
103.05462	0.9
105.03383	11.8
105.07012	33.0
107.04945	2.7
107.08582	27.9
109.02837	4.3
109.06510	3.1
109.10147	10.3
111.04436	1.1
111.08100	1.5
115.03906	1.2
115.05494	0.8
117.07000	10.7
119.04942	2.3
119.08556	48.5
119.93283	0.6
121.06480	1.3
121.10121	13.3
123.04435	2.8
123.08046	2.3
123.11680	26.8
127.03908	10.6
129.06985	4.6
130.07767	2.7
131.08543	73.3
133.04893	1.0
133.10103	25.9
135.08034	8.1
135.11679	6.2
143.08559	8.0
144.08185	2.1
144.09323	5.0
145.04927	8.8
145.10117	24.7
147.04399	3.7
147.07999	0.7
147.11673	14.9
148.04776	1.0
149.05968	0.8
149.09622	2.8
149.13278	3.7
151.98874	0.6
153.09108	0.9
156.09332	0.7
158.10883	18.1
158.12129	0.9
159.11694	2.5
160.12492	0.6
161.13197	5.9
163.05974	4.2
163.14781	7.9
167.07014	16.0
167.08424	1.1
171.11708	1.3
173.13223	100.0
175.03920	5.1
175.14789	32.7
176.04279	0.7
177.05492	1.0
189.12791	0.8
191.14268	51.6
192.04224	0.8
193.15929	1.4
207.06476	7.7
208.06781	1.1
209.08165	1.3
209.15315	5.2
225.07507	0.8
226.07906	1.0
227.09183	1.1
227.12590	0.9
227.16356	1.2
267.08643	2.8
353.12164	2.7
353.19431	0.8
386.63766	0.7
416.20358	0.7
435.06314	0.7
534.51678	0.8
569.14203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.6
55.01863	6.8
55.05503	3.3
57.03421	3.9
61.02917	3.1
63.88155	1.4
67.05483	7.7
69.03401	13.7
69.07040	1.9
71.04968	9.4
79.05489	12.7
80.42738	1.5
81.03398	14.7
81.07031	16.1
81.98687	1.5
83.04961	3.7
85.02882	26.7
85.06522	3.8
91.05455	21.8
93.07028	16.1
95.04943	8.6
95.08563	13.6
97.02866	8.9
97.06496	2.0
99.04472	12.0
103.05414	3.5
105.03361	3.7
105.07020	38.5
107.04942	17.5
107.08586	18.5
109.02876	3.2
109.06523	12.3
109.10136	10.5
111.04388	2.0
111.08060	26.5
115.05430	10.4
117.07008	21.0
119.04881	2.2
119.08581	12.3
121.06477	6.8
121.10122	7.9
122.03622	3.9
123.04398	3.3
123.08016	7.4
123.11652	2.6
124.05183	2.8
124.66750	1.9
125.05976	3.5
125.09608	3.3
126.64183	1.6
127.03867	6.4
128.06204	2.9
129.06960	15.0
131.04906	3.3
131.08531	8.5
133.06442	9.3
133.10114	21.0
134.05968	1.9
135.08043	6.8
135.11658	3.6
137.05952	84.3
137.09587	2.9
143.04890	10.3
143.08537	3.0
144.05702	3.4
145.05260	2.1
145.06464	41.9
145.10121	9.5
146.07257	2.2
147.04375	10.1
147.08037	2.0
149.09529	1.7
151.07507	1.9
151.11067	2.1
152.04573	1.7
153.05495	2.5
153.09155	1.7
155.06035	2.9
156.05675	7.7
157.06445	9.7
159.08012	9.0
159.11641	2.5
160.05161	19.7
161.05925	9.6
161.09602	21.1
163.03877	1.6
163.07416	2.6
163.11127	8.1
167.07031	60.2
167.10687	1.6
172.05116	5.9
173.05956	54.7
174.06711	2.1
175.07510	100.0
177.05484	3.1
178.09776	1.9
179.10670	7.2
181.08574	1.6
183.06535	2.1
187.07498	45.3
189.09004	11.7
190.06227	31.2
191.14285	3.1
199.07591	4.0
202.06175	2.9
203.06953	6.7
205.06709	3.0
205.08554	71.2
207.10191	3.3
209.11679	3.3
209.15341	7.8
217.08557	41.7
221.09569	3.2
223.09634	1.8
225.11140	2.8
226.06158	2.0
227.02924	1.7
227.16338	3.5
231.07964	2.0
233.09477	1.8
234.06670	2.6
235.07520	2.4
235.09612	26.1
241.08521	2.8
247.09619	6.6
249.08952	6.3
252.07970	2.0
261.09064	8.5
262.06073	2.0
263.06833	2.7
265.08279	2.1
265.10687	23.3
277.08539	6.4
278.09311	5.7
281.11670	7.2
285.07410	6.9
291.10089	1.7
293.11603	2.0
300.09918	6.4
306.08813	2.0
309.11005	6.3
315.11960	1.8
321.11102	7.0
335.22192	8.5
341.13901	17.9
353.13553	12.1
353.23056	2.8
363.84134	1.9
369.15665	1.9
371.14877	22.2
542.82086	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.1
51.02369	0.2
53.03941	2.7
54.81775	0.1
55.01870	0.4
57.03431	1.0
61.02909	0.5
69.03416	7.5
71.01337	0.1
71.04967	0.8
73.02897	0.4
77.03883	0.7
79.05476	4.8
81.03400	14.4
81.07015	0.1
83.01340	0.1
85.02891	9.1
91.05472	0.1
92.09045	0.5
95.04949	5.3
97.02871	9.3
99.04432	2.3
101.02296	0.1
104.91682	0.1
105.03373	100.0
105.07020	0.6
106.03712	0.2
108.04489	0.4
109.02861	8.5
123.04406	9.6
127.03892	6.8
145.04912	1.5
147.49376	0.1
165.05460	0.2
195.06508	0.1
231.04163	0.1
231.06448	1.1
247.95392	0.1
249.07530	21.1
267.08575	22.1
271.07941	0.1
509.98499	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	568.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01863	3.4
57.03418	0.6
61.02894	0.5
65.03914	0.5
67.05459	0.6
69.03403	1.9
71.21021	0.3
71.85365	0.3
73.02897	28.8
77.27818	0.4
79.05469	0.5
81.03381	0.5
81.22216	0.4
85.02882	5.9
89.03900	0.5
91.03918	0.6
91.05452	1.3
92.08683	1.4
92.09310	1.4
93.06997	0.6
95.04950	3.3
97.02863	1.9
97.06522	0.7
99.04439	0.4
105.03401	0.6
105.07003	0.8
105.94306	0.3
107.04916	0.7
107.08585	1.2
111.04406	0.4
117.03326	0.4
119.04881	1.6
119.08578	0.6
121.02831	0.4
121.10110	2.1
123.04397	7.7
125.02406	0.4
127.03879	1.3
131.08521	0.6
133.10074	0.5
135.04405	1.9
137.05925	0.7
139.84752	0.3
140.04657	39.4
145.02820	0.8
145.10014	0.4
147.04367	1.8
149.05939	0.8
153.05368	0.4
154.70056	0.4
155.06998	57.2
161.05847	0.3
163.03856	6.5
166.06177	0.4
167.07033	0.8
171.06482	2.7
173.08064	4.7
173.13120	0.7
174.36887	0.3
175.03804	1.5
175.14789	0.5
179.06946	2.0
181.04913	78.7
181.08235	2.9
191.14288	0.6
200.41588	0.4
207.06494	3.3
209.08063	17.2
209.15234	0.4
223.07829	0.3
227.09097	100.0
228.09531	0.6
237.02815	0.5
247.91412	0.4
321.87592	0.4
593.63080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
54.81364	0.3
55.01866	0.3
55.05500	1.4
56.51896	0.2
57.03428	2.2
57.07067	0.6
59.04992	0.3
61.02905	1.7
67.05494	1.4
69.03416	10.6
69.03796	0.3
69.07052	1.0
69.79060	0.2
71.04976	1.8
73.02887	0.4
74.00629	0.2
77.03940	0.4
79.05472	6.5
81.03400	9.6
81.07036	2.5
82.82106	0.2
83.04969	2.1
83.08594	1.1
85.02891	23.6
85.06538	0.3
87.04436	1.9
88.33083	0.2
88.53448	0.2
91.03899	0.4
91.05466	1.5
92.08675	0.3
92.09175	1.2
93.07008	2.2
95.04941	6.8
95.08600	2.0
97.02872	7.3
97.06505	1.4
99.04443	2.3
105.03374	100.0
105.05462	1.4
105.07008	3.3
106.03706	0.3
107.08575	4.4
109.02863	8.0
109.06483	3.7
109.10143	4.0
111.08042	0.6
115.07561	0.3
117.07000	0.4
119.08578	2.6
121.10106	3.0
123.04407	15.0
123.06493	1.4
123.08037	1.0
123.11659	0.6
125.09600	0.3
127.03890	7.5
131.08560	1.7
133.10123	5.5
135.08049	1.3
135.11653	0.6
137.09604	2.9
137.13309	0.3
138.09953	1.1
145.04929	3.2
145.10098	0.6
147.11684	1.6
149.09677	0.3
149.13329	1.9
151.11198	1.6
153.09050	1.2
158.10889	0.5
163.06013	1.0
163.14819	0.4
165.05499	0.3
165.12675	0.6
167.14240	1.8
173.13199	4.1
175.14784	1.4
191.14311	3.5
205.34598	0.2
207.06558	0.4
207.13725	0.3
209.15334	8.4
213.07524	0.3
227.16382	1.8
231.06541	1.8
249.07533	13.2
267.08582	34.3
317.92505	0.3
389.14587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.00270	0.1
53.03942	3.2
55.01860	0.7
55.05490	0.7
56.96566	0.3
57.03422	1.4
57.07053	0.1
57.81276	0.1
59.06119	0.3
59.06393	0.2
59.77870	0.2
60.08158	0.2
61.02903	0.4
64.52901	0.1
67.05499	1.3
67.69315	0.2
68.05822	0.2
69.03416	5.5
69.07045	1.2
71.04967	1.0
77.03904	0.3
79.05471	5.1
79.83336	0.2
81.03400	13.3
81.07034	2.7
83.04953	0.8
83.08582	0.2
85.02891	8.8
85.06526	1.1
86.09689	0.4
87.04458	0.2
91.05452	1.9
92.08857	0.2
93.07030	2.2
94.07317	0.2
95.04398	0.3
95.04953	6.1
95.08587	2.4
97.02254	0.3
97.02868	7.4
97.06488	0.7
97.10123	0.2
98.97570	0.3
99.04432	1.8
103.05440	0.2
104.10725	0.2
105.03375	100.0
105.07002	2.2
105.41145	0.2
106.03723	0.7
106.07361	0.2
107.04942	0.4
107.08566	1.7
108.08927	0.2
109.02864	7.1
109.03608	0.3
109.06504	0.8
109.10146	1.3
109.26579	0.2
110.06752	0.2
111.04395	0.2
111.08054	0.3
115.05478	0.2
116.98616	0.3
117.07013	0.8
119.04905	0.8
119.08575	1.7
121.06477	0.3
121.10107	1.5
122.10481	0.3
123.04413	10.0
123.08025	0.2
123.11680	0.9
123.44858	0.2
124.99992	0.2
125.09599	0.3
127.03902	5.3
129.06973	0.7
131.04939	0.2
131.08524	1.4
133.10092	1.5
135.11682	0.9
137.05951	1.1
139.03914	0.2
143.08578	0.3
145.02869	0.4
145.04950	1.5
145.10085	1.5
147.04407	1.5
147.08101	0.3
147.11674	1.2
149.09612	0.2
149.13287	0.3
151.03854	0.3
151.11218	0.3
157.10132	0.7
158.10779	0.2
159.11633	0.8
161.13171	0.3
163.03844	0.3
165.05440	0.6
165.09103	0.3
167.07028	0.4
171.11617	0.3
173.13194	0.2
175.11159	0.3
177.05466	1.4
177.12814	0.2
177.16353	0.3
181.04984	0.2
183.06613	0.2
184.07335	1.1
185.13242	0.4
187.14774	0.3
189.09076	0.3
189.12712	0.2
199.14890	0.2
209.13310	0.9
217.05011	0.2
217.61234	0.2
223.06090	0.4
231.06494	2.4
231.13686	0.2
237.02740	0.4
249.07521	12.4
249.14780	0.2
267.08603	14.6
303.05063	0.3
309.09598	0.4
352.25589	0.2
507.21176	0.3
508.21704	0.4
515.33630	0.2
567.32672	0.2
568.31451	0.2
598.69562	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.2
53.03939	3.1
53.69910	0.1
55.01874	0.3
55.05504	0.4
55.16623	0.1
57.03419	0.9
57.07077	0.1
61.02908	0.3
63.00837	0.2
64.33942	0.2
67.05492	0.9
69.03069	0.3
69.03415	6.1
69.07063	0.6
71.04974	1.0
73.02906	0.3
76.18523	0.2
77.03918	0.7
79.05475	4.5
81.03397	12.8
81.07047	2.0
83.04973	0.9
85.02895	6.6
85.06530	0.4
86.09683	0.7
87.43401	0.2
91.05466	1.3
92.09063	0.3
93.07028	1.3
95.04950	6.8
95.08566	1.4
97.02870	7.8
97.06487	0.4
97.10178	0.2
99.04437	1.9
103.03870	0.2
105.03374	100.0
105.06986	2.1
106.03719	0.2
107.04955	0.7
107.08573	1.4
109.02863	7.4
109.06511	0.7
109.10152	1.0
117.03294	0.2
117.07005	0.3
119.04928	0.4
119.08578	1.0
121.10135	0.9
121.17237	0.2
123.04405	8.4
123.08089	0.3
123.11687	0.4
124.99957	0.2
125.09650	0.3
127.03898	6.1
128.34023	0.2
131.08537	0.3
131.76030	0.2
133.10104	0.7
134.52124	0.2
135.08075	0.4
137.05971	0.3
139.04028	0.2
145.02840	0.3
145.04903	1.3
145.10094	0.7
147.04431	0.8
147.07996	0.2
147.11673	2.0
149.09653	0.3
151.03888	0.4
151.07445	0.2
157.10216	0.2
159.11690	0.2
165.05443	0.2
165.12752	1.0
167.06989	0.2
171.85597	0.2
177.05441	0.9
179.03378	1.8
184.07321	1.0
189.05478	0.3
193.12251	1.0
207.06566	0.4
215.10529	0.2
223.05977	0.2
229.12303	0.2
229.14317	1.1
231.06548	1.8
249.07518	14.1
267.08575	14.1
274.18518	0.2
309.09662	0.8
355.17511	0.2
437.00003	0.2
515.15381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.2
53.03937	3.1
55.01851	0.5
55.05487	0.2
57.03426	0.8
57.07061	0.1
61.02907	0.4
67.05476	0.2
69.03412	6.8
69.07047	0.4
71.01352	0.1
71.04978	0.8
73.02881	0.2
77.03909	0.5
79.05473	3.9
81.03395	12.0
81.07022	0.9
83.08617	0.1
83.57436	0.1
85.02885	6.7
85.06519	0.1
91.05421	0.2
93.07006	0.7
93.52113	0.1
95.04942	4.9
95.08578	0.6
97.02868	7.1
99.04427	2.0
101.02324	0.2
105.03370	100.0
105.15236	0.1
106.03680	0.2
107.08560	0.6
108.04463	0.1
109.02857	6.6
109.10133	0.7
119.04908	0.1
119.08569	0.2
121.10095	0.6
123.04405	7.5
123.08029	0.1
123.11676	0.5
125.09670	0.1
127.03893	5.5
135.11652	0.2
145.04939	1.3
147.04451	0.1
147.11613	0.2
151.11174	0.4
159.11624	0.1
164.10246	0.1
165.05457	0.2
199.76903	0.1
203.03232	0.1
223.06026	0.8
231.06474	1.0
249.07521	12.9
267.08566	15.7
331.56378	0.1
335.25778	0.5
353.26791	0.4
384.53897	0.1
393.58255	0.1
533.16754	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	568.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.3
51.41642	0.1
53.03941	3.7
55.01853	0.5
55.05486	0.2
57.03424	0.9
61.02907	0.6
65.03918	0.2
67.05496	0.3
69.03415	7.1
69.07060	0.3
71.04975	1.1
73.02905	0.2
77.03929	0.6
79.04990	0.2
79.05470	5.6
81.03397	15.4
81.07029	1.1
83.08581	0.2
85.02888	9.3
91.05416	0.3
92.08801	0.3
92.09322	0.1
93.07029	0.3
95.04947	5.4
95.08557	0.6
97.02872	9.0
99.04428	1.9
105.03371	100.0
105.06994	0.7
106.03698	0.3
107.04946	0.2
107.08560	0.6
109.02862	9.1
109.06457	0.1
109.10130	0.9
119.04913	0.2
119.08593	0.3
121.10112	0.2
123.04406	9.6
125.05984	0.3
127.03888	6.3
129.06987	0.3
131.05005	0.2
133.06485	0.2
135.11658	0.2
137.05949	0.3
145.04929	1.8
147.04390	0.2
153.05498	0.7
161.05960	0.3
167.06999	2.2
168.07341	0.3
175.07495	0.5
176.07861	0.2
177.05479	0.2
187.07556	0.3
191.08446	0.2
193.09924	0.1
221.05907	0.1
231.06413	0.6
235.07402	0.2
238.97812	0.1
249.07516	20.3
265.08704	0.2
267.08572	16.1
277.08530	0.2
307.09705	0.3
308.10028	0.2
309.11053	0.3
339.12143	0.6
340.12482	0.5
353.26257	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.2
52.09734	0.1
53.03719	0.1
53.03941	2.1
55.01863	1.3
55.05507	0.2
57.03428	0.9
59.05001	0.1
59.68420	0.1
60.08149	0.1
67.05498	0.2
69.03056	0.1
69.03411	1.7
69.07050	0.3
70.06597	0.1
71.04977	0.8
73.02898	0.9
77.03898	0.6
79.05473	2.6
81.03400	3.0
81.07047	0.9
83.04953	0.2
85.02884	1.1
85.06531	0.2
86.09671	0.1
88.64980	0.1
89.31886	0.1
91.05455	2.1
92.08781	0.3
92.09277	0.2
93.07021	0.6
95.04941	4.7
95.08582	0.7
97.02865	8.6
97.06448	0.1
99.00802	0.6
99.04431	4.8
101.02373	0.5
105.03371	100.0
105.07021	0.7
106.03712	0.6
107.04934	0.7
107.08566	0.5
108.04484	0.2
109.02855	4.2
109.06483	0.2
109.10137	0.6
113.68576	0.1
117.03319	0.1
117.06957	0.1
119.02628	0.1
119.03445	0.2
119.04925	2.0
119.08557	0.4
120.05701	0.1
120.51828	0.1
121.06425	0.1
121.10085	0.2
123.04398	6.1
123.11607	0.2
126.59695	0.1
127.03892	3.2
131.04889	0.2
131.08519	0.2
132.04367	0.1
133.10112	0.2
135.04390	0.1
135.07953	0.2
135.11670	0.2
145.02864	0.2
145.04948	2.9
145.10080	0.2
147.04327	0.9
149.09613	0.1
151.11082	0.1
161.05911	0.1
172.41101	0.1
177.05452	0.7
184.07312	0.7
195.06508	0.2
213.09100	0.6
217.03355	0.2
217.10210	0.1
222.32416	0.1
223.05962	3.3
231.06512	0.2
241.06976	0.8
249.07509	1.8
267.08563	14.1
312.09296	0.1
321.05869	0.5
340.06647	0.1
371.11401	0.2
372.50159	0.1
433.64554	0.1
449.15729	0.1
515.77673	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	568.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.2
53.03942	3.4
55.01865	0.5
55.05502	0.9
56.96566	0.2
57.03424	1.2
57.91838	0.2
60.05604	0.2
61.02921	0.4
65.03923	0.2
67.05486	1.6
67.05798	0.2
69.03069	0.4
69.03417	6.6
69.07059	1.5
71.04362	0.2
71.04972	1.4
71.86225	0.2
72.74537	0.2
73.02892	0.3
77.03937	0.2
79.05479	5.5
81.03402	12.3
81.07040	3.1
82.07368	0.3
83.04976	0.8
83.08619	0.3
85.02892	10.3
85.06522	1.4
86.06847	0.2
86.09684	1.1
91.05442	2.4
92.08745	0.9
92.09337	0.5
93.07024	2.9
94.04228	0.2
95.04950	7.1
95.08585	3.0
96.08904	0.2
96.80786	0.2
97.02871	7.8
97.06510	0.9
97.10153	0.4
98.97549	0.3
99.04430	2.2
103.05471	0.3
105.03376	100.0
105.06966	2.0
106.03716	0.5
107.04939	0.8
107.08579	2.8
108.04453	0.2
109.02866	8.7
109.06483	0.9
109.10146	2.4
110.10490	0.2
111.04363	0.3
111.08080	0.3
117.07030	0.7
119.04907	0.4
119.08529	2.1
121.02778	0.2
121.06488	0.5
121.10123	1.8
123.04411	10.6
123.08018	0.4
123.11668	0.9
125.00015	0.4
127.03889	4.8
128.06224	0.2
131.08563	1.6
133.10121	1.3
135.04443	0.3
135.08046	0.8
135.11671	1.0
137.05956	0.5
137.09590	0.3
143.08534	1.1
145.02863	0.3
145.04939	0.9
145.10127	1.2
146.67534	0.2
147.04369	0.9
147.08109	0.4
147.11676	0.5
148.11980	0.3
149.13272	0.3
151.03821	0.2
151.11215	0.4
157.10132	1.3
159.08006	0.2
159.11667	1.1
161.13242	0.4
163.03935	0.4
163.11130	0.2
165.05531	0.3
167.07059	0.3
175.14796	0.4
177.00737	0.3
177.05466	1.0
177.16408	0.3
184.07323	1.8
185.13194	0.3
187.14763	0.4
189.12788	0.2
201.12718	0.3
201.16345	0.2
209.13232	1.5
223.06042	0.3
231.06528	2.4
231.13792	0.3
249.07530	11.9
267.08569	15.5
305.24545	0.3
309.09647	0.9
352.25385	0.4
485.68338	0.2
496.14606	0.2
497.14371	0.3
508.20810	0.3
515.15942	0.4
550.29980	0.3
552.23743	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
56.61855	0.3
57.03430	1.8
59.09565	0.5
64.72067	0.4
67.05499	1.9
69.07047	0.9
69.94537	0.4
71.04965	0.8
72.10855	0.4
79.05477	2.0
81.03405	2.8
81.07037	3.6
83.04961	0.6
83.08619	2.0
84.08467	0.4
85.02890	3.1
85.06518	0.5
91.05476	2.6
92.08888	3.3
93.07027	2.8
95.04954	2.1
95.08599	1.0
97.06522	0.5
105.07034	2.6
107.04963	0.5
107.08593	1.0
109.10140	0.5
110.21756	0.4
110.66545	0.4
111.08112	0.6
112.38880	0.5
113.59277	0.4
117.55737	0.4
119.08595	1.0
121.10134	2.5
122.10458	0.8
129.06982	0.6
131.08582	0.8
133.10138	0.8
147.11659	1.0
149.09569	0.7
157.10124	0.7
175.11122	0.7
193.12247	1.6
233.11499	0.7
251.12521	2.9
283.15137	16.5
307.15204	2.7
339.17734	6.1
567.31317	100.0
568.31689	2.5
576.05756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.3
60.37678	1.2
67.05496	4.8
69.03399	1.4
70.65837	1.1
71.04973	1.9
79.05473	2.8
81.03407	1.4
81.07027	5.3
83.08615	2.3
85.02895	1.6
90.19349	1.2
91.05447	5.2
92.09140	1.8
93.07024	2.8
95.04948	1.4
95.08584	4.6
105.03355	2.0
105.07021	5.8
107.08595	4.2
109.10161	2.8
119.08559	2.0
121.10131	1.6
133.10124	2.0
133.55298	1.1
145.38808	1.1
175.08916	1.2
175.11200	1.3
179.38470	1.4
191.10457	1.1
196.49748	1.1
251.12589	1.6
283.15146	19.8
307.14990	1.5
339.17606	8.3
341.36517	1.1
567.31763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2772
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
53.65841	0.4
54.97834	0.4
56.22394	0.5
57.17340	0.5
67.05492	1.1
79.05473	0.9
81.07014	1.3
83.01070	0.6
91.05460	0.6
92.08872	2.8
92.09428	0.5
92.37200	0.5
93.06995	0.8
93.94653	0.6
95.04939	1.0
95.08584	0.6
98.48074	0.5
105.03379	1.0
105.07026	0.6
107.08557	1.0
109.10110	0.7
119.08565	0.9
154.49500	0.5
158.68152	0.4
168.74979	0.5
177.67499	0.5
185.04227	1.1
188.11304	0.5
203.05263	1.2
251.12517	0.7
259.07635	1.8
331.09949	5.8
331.18484	0.6
345.11664	0.8
373.14603	0.8
387.16101	0.7
387.21393	1.1
405.22693	1.9
455.18881	1.3
469.20709	5.7
485.74753	0.6
549.26569	21.4
549.39746	0.8
567.27533	100.0
568.28143	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.3
60.37678	1.2
67.05496	4.8
69.03399	1.4
70.65837	1.1
71.04973	1.9
79.05473	2.8
81.03407	1.4
81.07027	5.3
83.08615	2.3
85.02895	1.6
90.19349	1.2
91.05447	5.2
92.09140	1.8
93.07024	2.8
95.04948	1.4
95.08584	4.6
105.03355	2.0
105.07021	5.8
107.08595	4.2
109.10161	2.8
119.08559	2.0
121.10131	1.6
133.10124	2.0
133.55298	1.1
145.38808	1.1
175.08916	1.2
175.11200	1.3
179.38470	1.4
191.10457	1.1
196.49748	1.1
251.12589	1.6
283.15146	19.8
307.14990	1.5
339.17606	8.3
341.36517	1.1
567.31763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36763	0.7
53.03926	1.3
55.01875	1.1
55.05499	4.6
57.03416	3.2
65.65667	0.7
67.05478	5.5
69.03408	4.8
69.07048	3.6
70.25251	0.7
70.90377	0.7
71.04981	1.1
78.04678	1.1
79.05476	8.7
81.03399	37.9
81.07032	7.5
83.04954	1.8
83.08585	1.4
85.02878	4.6
85.06511	1.9
86.09692	1.0
87.04437	1.0
91.05451	8.1
92.09135	5.2
92.64280	0.9
93.07039	7.9
95.04932	8.1
95.08585	5.9
97.02867	4.0
97.06494	1.6
100.07594	1.1
100.11256	4.4
103.05436	5.3
104.13981	0.9
105.03375	11.3
105.07022	11.2
106.04166	1.2
107.04939	19.9
107.08578	5.4
109.02853	1.1
109.06508	3.5
109.10152	6.6
111.04434	0.9
111.08082	1.2
114.05092	0.8
115.05437	8.8
117.03370	1.4
117.07014	15.9
119.04921	3.6
119.08574	4.2
121.06475	3.7
121.10120	4.7
123.04375	8.3
123.08041	3.1
123.11680	1.4
124.05193	5.0
125.05959	2.1
125.09597	1.2
127.03857	1.6
128.06207	1.1
129.06973	5.2
130.04164	0.9
130.07860	0.9
130.66728	0.9
131.04913	7.2
131.08557	9.9
132.05687	1.1
133.06464	6.4
133.10088	4.7
135.08023	1.7
135.11705	1.2
137.05937	6.1
137.09622	1.1
140.04623	3.4
141.06975	3.4
144.05692	7.8
145.02846	1.9
145.06461	35.4
145.10101	1.9
146.03381	0.9
147.04395	9.5
147.07983	1.5
147.11644	1.0
149.06001	3.6
151.03937	1.3
151.07448	1.0
152.04744	3.0
153.05420	5.1
155.06023	4.7
155.07159	2.4
156.05673	10.2
157.06465	1.2
159.04445	1.1
159.08028	12.5
159.11716	1.3
160.05153	3.6
161.05931	11.4
161.13246	0.9
163.03888	1.7
163.07530	3.2
165.05501	1.1
167.07007	100.0
168.07274	1.0
169.06493	3.4
171.08032	1.2
172.05142	1.1
173.05949	36.3
174.06711	1.2
175.03891	0.9
175.07477	5.4
176.04698	1.2
177.05431	6.2
179.07066	1.7
179.56317	0.8
181.04942	6.5
181.08522	1.1
182.15356	1.8
183.06503	1.5
184.05171	2.1
184.07338	7.2
186.06693	1.4
187.07497	13.5
188.04793	1.0
189.05424	4.5
189.09103	1.7
190.06239	28.0
190.07779	1.5
191.07016	9.2
191.08501	1.1
193.08575	5.7
199.07567	1.5
201.09094	1.1
202.06229	6.3
203.07025	3.5
203.08688	1.0
204.07829	4.0
205.06657	1.4
205.08551	23.8
207.06479	3.0
207.10129	2.0
208.05124	1.9
209.08127	2.1
210.14989	1.0
215.06866	1.3
217.08565	25.2
218.07225	1.0
219.07985	5.5
219.10121	6.3
220.07231	13.7
221.05891	1.4
223.11346	1.0
229.08580	1.4
231.07994	1.8
235.07565	1.8
235.09627	8.9
241.10638	3.5
247.07431	3.1
247.09605	24.7
248.08188	3.4
249.05420	1.0
249.09068	1.1
261.08960	1.3
263.06924	1.3
263.10721	1.5
264.07608	1.5
265.08334	1.3
265.10815	1.6
267.06189	1.0
269.08057	7.5
271.09543	4.4
275.07083	1.1
276.07809	1.7
277.08328	1.0
278.09052	1.0
279.09641	1.6
279.12524	7.1
282.08853	1.7
291.09650	1.6
291.12286	5.3
292.07593	1.0
293.07953	1.8
299.09219	1.3
307.09616	3.7
308.10303	3.9
315.08502	15.7
319.09531	1.7
321.07751	1.3
321.13611	1.4
323.12680	3.4
325.10715	1.4
329.10129	7.5
330.10938	11.3
331.11612	1.6
337.10507	3.4
339.11905	1.8
343.11707	3.3
351.12170	8.9
353.10037	1.4
356.12708	1.4
367.11652	3.2
368.12366	1.2
369.13263	1.4
371.14795	4.7
382.14215	1.0
383.14856	10.2
401.15860	5.5
404.14697	8.8
425.15842	1.3
445.18466	3.2
457.18442	6.6
475.19565	11.2
478.18359	8.6
531.21667	4.1
549.23450	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	566.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46803	1.9
52.18093	1.6
53.03937	2.0
55.05505	27.0
57.03425	15.6
57.07082	2.0
67.05490	69.2
68.74191	2.2
69.07051	26.3
71.04984	4.7
71.12228	2.1
73.86453	1.7
74.91852	1.8
79.05478	43.1
81.07039	100.0
83.04997	3.0
83.08608	11.1
85.06508	4.2
91.05451	26.2
92.09220	8.7
93.07031	51.2
95.04954	5.1
95.08585	87.4
97.06516	8.6
97.10175	2.8
99.08094	2.3
105.07003	22.7
107.08582	22.4
109.10162	21.7
117.06981	2.8
117.96833	2.0
119.08552	28.3
121.10116	18.6
131.08553	4.5
133.10101	18.1
135.11664	10.8
145.10133	2.5
147.11618	2.6
149.13246	2.4
159.11662	2.6
161.13275	18.6
168.71477	2.3
179.14270	8.2
181.25745	2.2
187.14598	2.2
190.81877	2.1
199.17805	2.1
253.17989	8.7
261.22116	8.5
271.19058	22.9
332.17099	2.2
335.25735	61.2
513.38690	4.0
531.40234	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	566.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.2
51.45293	1.0
53.03936	6.3
55.01864	2.2
55.05498	19.9
57.03421	8.9
57.07052	6.5
59.05000	2.2
60.08144	3.1
61.02904	2.8
63.50271	1.2
65.03941	1.1
65.25524	1.1
67.05486	30.1
68.79288	1.3
69.03416	25.8
69.07051	34.4
71.04990	9.7
72.12971	1.2
73.02876	2.0
79.05471	23.5
81.03400	14.0
81.07036	100.0
83.04937	9.2
83.08599	12.1
85.02424	2.1
85.02893	30.3
85.06527	18.5
86.09695	18.2
91.05458	16.6
92.63927	1.4
93.06421	1.7
93.07020	53.2
95.04960	16.1
95.08578	56.6
97.02875	13.8
97.06512	15.3
97.10139	7.6
98.98400	1.3
99.04420	13.2
99.08065	12.7
101.05992	8.1
104.10731	2.9
105.03373	56.3
105.07007	43.3
106.03703	2.6
107.04926	2.2
107.08573	53.3
107.50670	1.4
109.02866	6.7
109.06487	17.2
109.10142	65.2
111.08047	10.5
111.11714	3.1
113.05946	2.5
117.06985	3.0
119.04904	8.2
119.08555	29.3
121.06483	5.9
121.10116	56.4
122.65714	1.3
123.04411	5.7
123.08049	10.7
123.11681	29.2
124.99966	13.9
125.05972	5.9
125.09606	22.6
127.03895	6.0
127.07525	8.6
127.11237	1.3
129.05434	1.5
129.06961	1.3
131.08559	7.0
133.06497	1.6
133.10094	35.6
135.08043	5.8
135.11656	24.8
137.05956	2.9
137.09621	10.1
137.13228	1.6
139.07550	9.0
139.11165	8.4
142.07759	1.3
143.08516	4.9
143.10631	1.7
145.02873	2.4
145.04973	4.9
145.10117	20.4
147.04384	26.4
147.11664	29.4
149.05882	1.8
149.09631	10.0
149.13229	12.8
149.14275	1.8
151.11157	37.7
153.09024	1.4
153.12740	11.1
155.10609	1.5
157.08556	1.7
157.10088	5.7
159.08037	1.5
159.11656	19.8
161.09615	8.4
161.13225	8.3
163.03891	1.9
163.11151	16.7
163.14857	1.6
165.12723	19.1
167.10672	7.9
167.14230	1.5
169.10095	2.0
169.12210	3.2
169.81552	1.4
171.11644	5.0
171.13849	1.5
173.09456	2.0
173.13254	8.0
175.11122	6.1
175.14804	2.0
177.05429	2.7
177.12729	13.9
177.16345	3.0
179.10632	12.6
179.14235	2.0
181.04958	10.5
181.12222	11.4
182.05275	5.4
184.07295	40.8
185.13260	2.3
187.11086	2.8
187.14745	5.2
189.12744	2.1
189.16321	13.3
191.10744	2.5
193.12184	9.0
195.13791	7.9
199.14894	2.7
201.16362	2.5
205.12215	10.1
205.15836	1.9
207.13776	1.8
207.17416	3.0
211.13107	1.5
213.16501	2.2
215.12631	1.5
217.15965	1.4
221.15334	1.4
223.13248	5.8
225.18570	2.5
229.14296	5.3
235.16881	2.0
241.14217	2.9
249.07547	6.2
253.17993	7.5
267.08594	5.6
277.17972	1.9
283.55911	1.4
297.21988	2.2
303.23303	1.7
305.24673	1.8
315.23053	13.4
321.24176	5.7
333.20264	2.5
333.24161	52.0
339.12070	2.2
339.25223	1.6
350.84082	1.6
351.25223	80.1
369.26328	58.7
387.27377	20.2
417.90912	1.3
583.32495	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01853	1.6
55.05494	1.5
57.03418	1.6
57.36905	0.3
59.04987	3.3
61.02902	1.6
67.05490	4.9
67.36537	0.3
69.03421	5.6
69.07048	1.6
70.06577	0.6
71.04974	1.6
73.02890	1.4
74.30050	0.3
79.05473	2.0
81.02881	0.2
81.03381	2.7
81.07036	4.2
81.20580	0.4
83.04954	1.5
85.02891	13.3
85.06525	0.8
86.09696	0.8
87.04425	0.4
91.03900	0.4
91.05463	3.2
92.08503	0.4
92.09100	2.0
93.07016	3.8
95.04935	3.9
95.08581	9.1
97.02862	3.5
97.06509	0.7
99.00768	0.4
99.04426	1.3
101.05933	0.4
105.03369	2.0
105.07014	7.9
107.04907	0.7
107.08574	11.1
109.02869	1.9
109.06499	13.5
109.10140	11.5
111.04428	0.4
111.08068	1.4
115.03932	0.4
117.06982	0.5
118.44344	0.3
119.03391	0.4
119.04920	1.3
119.08553	10.9
120.08076	1.6
121.06474	0.5
121.10135	4.2
122.07238	1.5
122.09688	0.4
123.04417	0.4
123.08038	6.5
123.11680	0.5
123.38844	0.4
125.05943	0.4
125.09608	0.6
127.03902	3.2
127.28827	0.3
129.05453	0.5
129.06975	0.5
131.08589	0.8
133.06493	1.2
133.10124	3.7
135.08052	2.7
135.11665	6.4
137.05940	1.3
137.09592	100.0
143.08571	0.4
145.04947	3.4
145.10110	2.1
147.04364	1.3
147.08012	1.7
147.11676	5.6
149.08502	0.5
149.09595	5.7
151.07555	2.3
151.11128	0.6
153.09047	0.7
156.09337	0.5
159.11656	1.2
161.13228	7.7
162.94922	0.4
163.05995	1.4
163.11139	1.8
165.09062	0.5
165.12740	0.7
171.11674	1.5
174.10371	0.5
175.03899	0.5
177.05405	0.8
177.12703	0.5
179.14268	1.6
189.12718	7.9
191.14244	0.6
191.65230	0.3
203.45473	0.4
206.15442	0.5
207.06544	0.7
207.13759	30.3
209.15384	0.5
224.16411	4.4
225.14784	2.9
225.16922	0.4
242.17459	2.7
252.38591	0.3
295.11676	0.4
323.12289	0.4
369.19025	0.5
380.75095	0.4
451.47800	0.4
549.25208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51128	0.2
53.03928	0.9
54.81875	0.2
55.01854	0.3
57.03419	1.0
58.16467	0.2
61.02895	1.4
65.03923	0.4
69.03414	2.8
70.06570	0.4
71.04972	0.3
73.02876	0.3
74.76676	0.2
76.56491	0.2
77.03894	0.4
79.05463	0.3
81.03385	1.7
84.08133	0.3
85.02891	9.6
87.04443	0.2
91.03925	0.4
91.05459	15.2
92.08701	0.5
92.09293	0.4
95.04939	0.5
95.08514	0.2
97.02876	3.8
98.97588	0.2
99.04432	0.3
101.53803	0.2
102.91357	0.2
103.05428	1.0
105.03355	0.3
105.06995	0.3
107.04928	0.3
109.02866	1.2
111.04450	0.2
111.12719	0.2
118.04099	0.9
119.04917	34.0
119.08580	0.3
121.02840	0.5
121.06447	0.2
123.04411	0.4
127.03899	2.1
127.82479	0.2
129.03360	0.2
131.04942	0.3
132.02040	0.3
133.02826	0.3
135.04384	0.5
136.05142	0.3
137.05927	0.3
138.05467	0.3
145.02815	1.4
145.04973	1.6
146.03598	0.3
147.04382	31.6
148.04730	0.3
149.02325	1.1
149.05981	0.3
151.03906	0.5
153.05394	0.2
157.03926	3.0
159.07910	0.4
163.03877	1.8
164.04694	1.7
167.06978	0.4
174.03064	0.4
175.03867	56.9
176.04443	0.3
177.05487	0.8
179.06985	3.7
181.08464	0.4
189.12781	0.2
192.04128	13.4
207.06491	100.0
208.06866	0.3
225.07527	28.1
304.24066	0.3
310.23923	0.2
351.10757	0.3
369.11853	1.6
501.01401	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
55.01852	0.7
55.05500	0.6
55.17141	0.3
55.91087	0.3
57.03418	0.7
60.22235	0.3
61.02917	2.8
65.03918	0.6
65.87379	0.3
69.03422	3.7
69.07071	0.4
71.05003	0.4
73.02904	0.8
81.03394	2.5
81.07027	0.8
82.06574	2.6
83.04902	0.4
85.02889	14.8
87.04451	0.5
89.91171	0.3
90.32790	0.3
91.03948	1.3
91.05463	16.7
92.09010	1.6
93.07017	0.4
94.06522	0.3
95.04944	0.8
97.02888	5.2
99.04399	0.5
103.05424	0.5
105.03385	0.4
105.06995	1.4
107.04910	1.5
107.08575	0.6
109.02857	2.1
109.06468	1.6
109.10130	0.4
111.07381	0.3
116.94947	0.4
118.04114	1.6
119.04920	34.6
119.08575	0.7
121.02818	0.5
121.10183	0.5
123.11707	0.9
127.03896	2.9
131.08577	0.5
132.02011	0.6
133.02855	0.5
133.06497	0.4
133.10109	0.5
135.04370	0.6
137.05977	0.4
144.08049	1.5
145.02840	1.3
145.04932	2.0
145.10077	1.4
147.04388	35.3
147.11650	1.7
149.02307	0.5
157.03975	2.4
163.03900	2.6
163.05945	0.7
164.04602	2.7
165.12686	0.5
167.07022	0.6
174.03079	0.7
175.03873	55.4
177.01794	0.5
177.05380	0.6
179.07057	2.8
189.12683	3.2
192.04141	15.8
200.39156	0.5
206.15274	1.1
207.06494	100.0
207.13777	1.6
224.16432	0.8
225.07536	34.0
225.14673	0.5
351.10657	0.8
369.11902	0.7
388.37305	0.4
582.37549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01849	0.4
55.05503	0.3
57.03425	0.7
61.02905	2.1
61.38535	0.3
65.03904	0.3
69.03416	2.5
75.79420	0.3
77.03929	0.3
81.03390	1.8
82.06544	1.5
83.68178	0.3
85.02887	12.0
87.04453	0.3
91.03948	1.0
91.05458	16.2
92.08796	1.4
92.09363	0.6
97.02859	3.7
99.04395	0.5
102.03593	0.3
105.03365	0.5
105.07032	0.4
107.04864	0.4
107.08574	0.4
109.02879	1.1
109.06493	1.2
109.10126	0.5
118.04128	0.7
119.04916	31.6
119.08547	0.5
121.02798	0.3
123.11687	1.5
127.03877	2.1
132.02020	0.6
136.05182	0.7
144.08083	0.5
145.02788	0.6
145.04962	1.3
147.04385	35.4
147.11626	0.5
149.02309	0.5
157.03922	2.3
163.03828	1.2
163.05960	0.3
164.04541	2.0
165.20120	0.3
171.16006	0.3
175.03867	57.7
177.05441	0.5
179.06949	2.2
189.12723	2.5
192.04134	13.0
202.55025	0.4
206.15405	0.7
207.06488	100.0
208.06783	0.5
221.08363	0.4
224.16451	0.7
225.07533	32.7
225.14777	0.4
315.95056	0.3
345.13654	0.3
351.10501	0.5
368.19885	0.4
369.11606	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01864	0.6
55.05499	1.0
57.03422	0.8
61.02909	0.2
63.68626	0.1
65.03925	0.8
67.05489	0.8
69.03410	4.1
69.03758	0.3
69.07040	1.0
70.06564	0.8
71.04970	1.7
73.02888	0.6
77.03893	0.2
79.05470	2.7
81.03396	9.0
81.07034	2.6
83.04974	0.7
83.08596	0.6
85.02410	0.3
85.02885	3.9
85.06522	1.6
86.06869	0.1
86.09641	0.2
91.05458	6.1
92.05782	0.2
93.07023	1.3
95.04940	3.6
95.08588	2.3
97.02863	5.9
97.06502	0.6
97.10138	0.2
99.04418	1.5
99.08100	0.2
100.11227	0.3
104.97430	0.2
105.03367	48.7
105.06987	1.8
105.41786	0.1
107.08576	2.2
109.02859	4.4
109.06479	0.7
109.10143	1.5
111.04464	0.2
111.08068	0.3
111.11706	0.1
119.04911	22.0
119.08572	1.5
121.06475	0.2
121.10110	1.5
123.04392	3.5
123.08045	0.7
123.11684	1.0
125.09599	0.7
127.03881	3.1
128.30592	0.2
129.06976	0.2
131.08545	1.0
133.10080	1.4
135.08015	0.6
135.11673	0.3
136.27861	0.1
137.09607	0.7
137.42845	0.2
139.07567	0.2
143.08531	0.2
143.10631	0.3
145.02835	0.6
145.04945	1.0
145.06178	0.1
145.10092	1.3
147.04379	100.0
147.11673	0.7
148.04698	0.4
149.09602	0.4
149.13242	0.3
151.11159	0.3
157.10150	0.2
159.11598	0.6
161.13264	0.2
163.11124	0.4
165.09035	0.2
167.07042	0.4
167.14214	0.2
171.35710	0.2
173.13164	0.4
175.03935	0.3
175.14735	0.2
177.05429	1.2
179.10490	0.2
182.12668	0.2
189.05441	0.2
189.12761	0.3
189.16371	0.3
191.10674	0.2
205.08449	0.2
207.06480	0.3
213.48088	0.2
218.07310	0.2
219.17342	0.3
229.11746	0.3
231.06444	1.0
237.18378	0.3
241.21545	0.3
249.07516	7.5
267.08572	5.3
283.08060	0.8
301.11713	0.2
333.20416	0.4
351.21469	0.7
398.66306	0.2
413.12109	2.7
566.18701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
54.99520	4.6
55.05506	22.7
57.07066	22.2
63.13871	5.2
64.24240	4.6
67.05495	32.6
69.03414	6.9
69.07053	28.1
78.84409	5.3
79.05478	34.3
81.07039	36.5
83.04967	27.8
91.05463	73.0
92.09035	22.6
93.07018	70.7
95.04962	13.3
95.08586	42.2
97.06527	13.6
105.07008	97.9
107.08572	34.7
109.06502	9.8
109.10155	13.4
110.28351	5.3
117.06989	33.4
119.08556	100.0
121.10098	52.9
123.08047	12.0
124.74438	5.3
125.05968	34.8
128.06248	10.7
129.06989	34.2
130.07764	8.7
131.08533	49.9
133.10094	56.5
135.08089	5.3
135.11658	11.6
136.16345	5.7
141.06961	6.9
142.07756	37.8
143.08586	47.3
144.09346	6.8
145.10104	47.0
145.41124	5.0
147.08035	13.3
147.11673	11.8
149.09624	8.2
151.07602	6.1
155.08524	12.0
156.09334	31.8
157.10063	57.7
158.10861	10.9
159.11642	13.2
163.11159	22.1
165.06944	9.8
165.09151	21.2
167.08513	9.8
168.23096	6.6
169.10147	29.3
170.10919	9.7
171.11612	39.6
173.13235	25.2
179.08495	11.4
181.10135	27.9
181.12189	45.3
182.10777	8.2
183.11658	28.4
185.13171	9.0
192.09395	6.9
193.10133	13.6
194.10880	24.4
195.11636	34.7
197.13176	11.7
205.10097	7.8
206.10831	10.5
207.11649	33.7
209.13303	23.1
211.14867	9.9
219.11681	8.8
221.13295	9.8
221.15367	29.7
223.14841	6.7
231.11731	7.6
232.12421	7.0
233.13196	11.7
235.14845	12.1
247.14688	13.1
263.17905	7.3
278.02621	6.5
329.22656	7.9
364.89423	6.7
473.34027	21.6
565.40466	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14670	0.3
51.66532	0.3
53.00291	0.5
53.03942	1.1
53.53416	0.4
54.81857	0.6
55.01865	0.7
55.05504	10.4
56.60075	0.3
57.03426	4.8
57.07070	4.9
58.62470	0.4
58.77293	0.4
59.04992	0.7
61.02897	2.5
62.26200	0.4
65.03904	0.4
67.05489	16.5
69.03420	6.3
69.07051	17.3
70.55843	0.4
71.04974	6.7
71.08631	0.6
73.02901	1.1
79.05476	4.7
81.03392	3.8
81.07039	29.9
83.04971	0.7
83.08595	7.1
84.08114	1.7
85.02890	28.7
85.06528	100.0
87.04461	0.7
91.03901	0.5
91.05443	3.8
92.08779	0.9
92.09270	0.6
93.07018	14.6
95.04933	2.0
95.08582	42.1
97.02884	7.0
97.06517	5.9
97.10139	6.1
99.04438	1.7
99.08073	11.7
99.37531	0.4
103.05442	0.5
103.07544	0.6
105.03373	2.2
105.06991	3.7
107.04954	0.7
107.08574	13.2
109.02868	2.3
109.06515	0.7
109.10141	30.6
111.08057	1.6
111.11706	1.8
113.09656	2.1
114.37399	0.5
117.06982	0.5
119.08587	3.1
121.06474	0.6
121.10120	11.7
123.04417	0.6
123.08038	0.7
123.11679	29.1
125.06055	0.4
125.09596	1.1
127.03895	4.0
127.11157	3.5
128.06224	0.4
129.07005	0.4
131.04884	0.6
131.08598	1.7
133.10147	1.0
135.11662	9.5
137.06000	2.1
137.13260	3.0
139.11151	1.8
139.94994	0.5
141.12749	3.0
143.08554	0.6
145.02872	1.9
145.04933	5.0
145.10107	0.5
147.04416	0.7
147.11699	0.8
149.05956	0.6
149.09657	0.6
149.13255	9.3
151.07593	0.6
153.12715	0.9
159.11708	1.0
161.13278	0.6
163.06017	0.7
163.14783	2.3
165.16435	0.9
167.07037	1.7
177.05437	2.3
177.16365	1.9
179.17932	0.7
181.04919	0.5
197.54451	0.5
200.67430	0.5
205.19487	7.8
206.07304	0.5
223.20531	9.9
233.87997	0.5
241.21570	31.9
262.62073	0.5
283.56744	0.5
291.30017	0.4
331.22604	0.6
355.74780	0.5
565.33453	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83000	0.4
54.81170	0.4
55.01848	0.5
55.05502	1.0
57.03427	1.0
67.05492	2.5
71.24906	0.4
79.05472	2.9
81.03405	2.5
81.07041	2.8
83.04981	1.9
83.08621	0.6
85.02886	2.0
85.09170	0.4
86.75979	0.5
91.05473	2.7
92.08804	2.2
93.07024	3.9
95.04982	0.7
95.08590	1.1
105.07038	2.4
107.08608	0.8
109.10162	1.1
111.04420	1.9
111.08051	1.0
115.03940	0.4
119.08560	2.5
121.10128	2.1
123.08015	0.5
131.08533	1.0
133.10146	0.8
135.11642	0.8
145.10127	1.0
147.11658	0.8
157.10144	0.7
163.11183	0.8
181.12364	0.7
191.10696	0.8
193.12144	0.8
202.71738	0.5
281.13531	21.2
281.16498	0.9
283.15228	2.1
307.15329	0.6
337.16162	4.9
339.17694	0.9
360.47690	0.5
466.63721	0.6
467.33832	0.6
467.96613	0.5
565.29706	100.0
566.30176	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79396	1.5
53.03940	2.7
54.47939	1.8
55.05500	27.7
57.03426	21.8
57.07063	2.1
57.13629	1.9
67.05492	85.6
69.07050	28.9
71.04942	2.5
79.05473	64.1
79.05907	4.1
81.07038	100.0
83.04959	8.5
83.08601	14.7
85.06529	2.3
86.50804	1.7
91.05456	29.7
92.08776	12.0
92.09395	3.5
93.07022	79.3
95.04930	8.4
95.08576	45.2
97.06496	9.0
97.10162	2.6
105.07023	18.4
107.08572	40.7
109.10123	14.4
111.08043	2.3
117.07005	4.2
118.26128	2.0
119.08534	10.9
121.10107	24.6
123.11664	4.3
131.08572	14.1
133.10094	8.5
135.11674	11.7
135.43486	2.0
145.10060	2.3
145.35464	2.0
147.11703	3.1
149.13245	20.8
159.11656	10.4
161.13226	3.1
173.13275	1.8
195.13695	3.0
261.22183	4.6
269.17453	36.1
335.25735	51.6
361.67426	2.3
412.32709	2.1
529.38721	67.0
532.64130	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	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01861	3.3
55.05303	0.7
55.05507	10.5
57.03430	8.2
57.07064	1.5
61.02917	9.2
67.05495	27.6
68.53926	0.6
69.03419	15.5
69.06483	0.6
69.07053	10.6
71.04984	5.0
73.02898	5.0
79.05474	14.4
81.03389	11.2
81.07039	33.6
82.84601	0.8
83.04962	5.5
83.08602	5.0
85.02892	100.0
85.06525	0.9
87.04462	2.7
91.03940	4.3
91.05459	13.8
92.08936	4.0
93.07030	20.6
95.04949	3.9
95.08585	40.9
97.02876	23.8
97.06511	4.6
97.10154	4.3
99.04463	5.1
105.03397	1.5
105.07018	12.8
107.04947	1.1
107.08578	16.3
109.02866	10.0
109.06480	1.1
109.10148	60.2
111.08080	1.2
117.07021	5.7
117.07809	0.8
119.08562	10.3
120.08891	0.9
121.06492	0.8
121.10133	18.1
123.08036	0.7
123.11687	18.4
127.03894	24.7
129.06966	1.6
131.08542	6.7
133.10089	6.3
135.04485	1.1
135.11670	15.8
143.08531	1.1
145.04938	37.7
145.10100	2.7
147.11682	4.3
149.09651	1.4
149.13246	19.8
159.11703	3.2
163.03864	3.2
163.05991	20.1
163.11159	0.9
173.13126	1.0
177.12714	1.4
189.09137	1.2
193.12340	1.6
203.17867	0.9
204.18132	0.8
205.19493	22.3
227.12813	0.9
229.14291	1.2
267.15793	0.8
269.17474	4.0
275.19992	4.9
285.16745	1.0
289.09265	1.7
294.39941	0.7
301.16443	0.8
309.20557	4.5
325.11243	15.5
349.23639	6.7
355.15533	1.1
367.24655	3.1
419.22348	0.7
506.30737	0.7
511.28680	1.1
529.28528	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.6
53.03941	1.9
55.01860	2.1
55.05501	6.7
56.96552	0.3
57.03433	4.1
57.07066	2.7
59.04954	0.2
61.02909	6.0
62.87664	0.2
67.05492	13.6
69.03413	11.7
69.07054	14.5
71.04974	1.8
71.08595	0.5
73.02901	2.7
79.05474	13.6
79.28157	0.3
81.03404	5.9
81.07037	100.0
83.08591	2.6
85.02887	70.8
85.06525	0.5
87.04442	1.8
91.03933	3.2
91.05460	4.9
92.09031	1.6
93.07021	30.0
95.04955	2.4
95.08582	36.2
97.02866	18.4
97.10122	2.7
98.10468	0.3
99.04430	2.7
101.02351	0.4
103.03891	0.6
105.03356	0.5
105.07025	4.7
107.08574	20.4
109.02856	6.5
109.06492	0.5
109.10140	17.2
111.04407	0.4
111.08063	0.3
111.11713	1.2
115.03912	0.3
119.08557	1.8
121.10116	35.8
123.08077	0.7
123.11676	7.9
125.13293	0.4
127.03889	17.1
129.06929	0.3
131.08534	0.6
133.10097	1.2
135.04338	0.4
135.11678	9.6
137.13223	5.4
145.04936	25.8
145.10100	1.2
147.04379	0.5
147.11641	1.1
149.13228	18.6
157.10049	0.6
159.11505	0.4
161.13158	0.4
163.03835	1.5
163.05972	10.8
163.14828	2.2
164.04182	0.5
173.13161	0.3
178.15825	0.3
184.30794	0.3
202.82703	0.3
205.19484	7.3
218.13655	0.3
220.53716	0.3
289.08957	1.3
325.11206	5.1
461.28339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69468	1.2
53.03940	6.6
55.01865	11.2
55.05502	34.8
57.03425	33.3
57.07055	1.5
61.02892	13.1
65.03917	1.5
67.05489	82.8
69.03421	14.8
69.06707	3.0
69.07052	44.5
71.04979	9.7
73.02906	2.9
79.05472	71.1
81.03405	23.5
81.07037	100.0
83.04964	21.3
83.08601	21.3
85.02889	28.5
85.06539	6.0
86.03232	2.7
91.03931	5.7
91.05457	54.2
92.08929	3.3
92.40981	1.8
93.07021	91.3
95.04945	19.6
95.08585	47.3
96.08936	1.4
97.02872	15.5
97.06503	41.6
97.10140	5.7
98.03249	1.7
99.04407	2.4
99.08057	2.1
105.03366	19.4
105.04478	1.9
105.07010	45.0
106.03707	2.2
106.07377	1.5
107.04950	12.6
107.08575	54.9
109.02882	5.7
109.06509	8.9
109.10137	20.3
111.08080	10.1
117.07006	22.2
119.08553	32.6
120.08909	2.5
121.06474	3.4
121.10115	29.0
123.08057	3.9
123.11682	9.1
124.07192	1.7
125.09609	3.4
127.03907	2.9
129.05455	1.5
129.06963	10.9
131.07062	1.7
131.08540	30.6
133.10094	34.2
135.08060	8.2
135.11662	27.3
137.09610	3.3
137.13258	2.5
141.07019	1.7
143.08553	7.6
144.09410	1.9
145.04965	2.5
145.10075	20.7
147.08081	1.7
147.11653	12.6
149.09546	12.2
149.13228	19.5
153.12805	1.7
155.08575	1.9
157.10139	2.4
159.11665	28.5
161.09663	1.7
161.13245	7.9
163.11185	9.9
165.12666	1.9
169.06427	1.5
171.11768	1.8
173.13263	8.9
177.12747	17.2
179.14288	7.2
181.12274	1.6
183.11600	2.7
187.11206	1.5
195.13744	6.8
229.14214	1.8
239.17885	2.5
241.08496	2.1
251.16411	2.2
255.15834	32.8
257.18933	3.7
259.09790	2.7
267.15891	3.7
269.17429	81.6
275.20078	16.4
309.20660	8.0
311.12778	2.3
327.15765	2.1
337.14194	1.6
349.23676	42.8
355.15302	7.4
367.24817	15.0
493.28198	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	2.7
53.03922	3.7
54.26320	1.9
55.01860	8.6
55.05505	36.2
55.56165	2.0
55.71798	2.2
56.84101	1.9
57.03424	26.6
57.07048	3.9
61.02915	21.1
65.03923	3.0
67.05491	62.6
67.49822	1.9
69.03417	17.6
69.07053	26.0
71.04971	4.2
73.02905	4.6
79.05476	82.8
81.03396	15.3
81.06609	3.0
81.07040	70.5
83.04962	14.6
83.08595	14.6
84.13423	2.0
85.02890	36.6
85.06535	3.7
87.04403	2.5
91.03909	9.6
91.04895	2.4
91.05456	78.6
92.08947	12.2
93.07021	100.0
95.04967	20.1
95.08588	54.1
97.02863	17.8
97.06507	14.3
97.10163	3.4
99.04430	2.8
99.08036	3.0
102.54129	2.1
104.31853	2.2
105.03376	2.6
105.07012	77.0
105.07732	2.6
107.04909	5.2
107.08578	59.3
109.06488	11.0
109.10162	21.8
111.08086	3.9
117.07008	28.3
119.04866	2.5
119.08552	52.3
120.08965	2.2
121.06474	3.6
121.10128	44.4
123.11649	12.5
125.09654	2.1
127.03886	8.9
128.06200	2.6
129.06964	13.5
131.08557	29.1
133.10100	46.3
135.07954	4.1
135.11667	29.5
135.72986	2.0
137.09613	2.8
141.06943	2.3
143.08521	13.9
145.04865	3.5
145.10115	24.3
147.04373	3.0
147.08014	3.4
147.11633	28.0
149.09555	4.4
149.13263	16.4
151.11157	2.0
157.10051	12.3
159.11650	23.8
161.13200	11.1
170.82536	2.2
171.11646	10.6
173.13182	5.1
175.14735	4.7
177.16302	3.1
179.17993	3.7
183.11649	3.3
185.13194	13.3
199.14778	4.3
205.19514	3.2
223.20537	5.1
241.19534	8.2
257.18927	3.6
259.20499	30.8
267.15863	2.5
269.17380	3.3
275.19940	12.2
280.97342	2.1
293.21155	4.8
309.20444	17.1
333.24234	2.4
351.25290	43.6
351.96973	2.6
379.21664	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40961	1.1
53.03927	2.1
55.01855	8.5
55.05503	23.3
57.03424	21.2
57.07055	6.2
61.02897	7.8
65.03905	1.4
67.05491	52.7
69.03419	13.0
69.07050	31.8
69.61884	1.3
71.04963	5.2
71.08612	1.5
73.02890	5.6
75.69988	1.4
79.05048	2.5
79.05473	42.5
79.32310	1.3
81.03391	13.5
81.07037	74.0
83.04948	12.0
83.08593	13.9
85.02883	51.3
85.06542	1.9
91.03933	6.4
91.05459	32.1
93.07018	67.9
95.04951	13.1
95.08588	38.0
97.02865	16.4
97.06519	14.6
97.10152	9.7
99.04430	2.0
99.08036	1.3
103.03890	2.1
103.43384	1.5
105.07003	28.8
107.04939	7.2
107.07863	2.3
107.08571	52.0
109.02854	3.3
109.06490	5.8
109.09592	1.4
109.10152	21.5
111.08082	3.0
115.05435	1.5
117.06989	12.0
117.47200	1.8
119.08560	19.4
121.06491	2.8
121.10124	36.1
123.08062	2.5
123.11676	28.6
125.09591	3.3
127.03892	15.7
129.06955	2.7
131.08537	18.8
131.61790	1.5
133.10104	22.1
135.08015	2.9
135.11676	28.9
145.04932	18.7
145.10120	11.1
147.11644	10.1
149.09586	7.7
149.13240	100.0
151.11172	2.2
153.01817	1.6
155.08530	2.3
157.10060	6.1
159.11668	14.3
161.13170	5.5
163.05957	8.6
163.11176	7.3
163.17621	1.6
171.11798	2.1
173.13213	3.3
177.12669	8.1
179.14191	2.1
187.11150	1.3
195.13724	2.6
203.17949	1.9
205.19485	41.6
227.12755	3.3
229.19424	1.9
239.17844	2.8
255.15860	16.2
257.18863	7.1
267.15692	2.4
269.17407	39.5
275.20041	19.3
325.11221	7.6
337.14218	1.9
349.23679	37.3
367.24744	9.9
511.29025	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.2
53.03722	0.2
53.03940	3.2
55.01864	0.2
55.05500	0.2
56.53136	0.1
57.03418	0.8
57.07061	0.3
57.77861	0.1
61.02917	0.6
63.04467	0.6
67.05483	0.2
69.03416	6.9
69.07045	0.3
69.54980	0.1
70.61118	0.1
71.04974	1.0
72.21202	0.1
77.03909	0.5
79.05472	4.5
80.28092	0.1
81.03397	14.9
81.07027	0.6
83.04950	0.2
83.08556	0.2
85.02888	8.5
86.09729	0.1
88.61652	0.1
91.05478	0.3
92.08762	0.5
93.07024	0.3
95.04949	4.6
95.08597	0.7
97.02869	9.8
99.04440	2.1
105.03371	100.0
106.03710	0.7
107.08564	0.3
108.04469	0.3
109.02859	9.5
109.10145	0.3
117.03378	0.6
119.08567	0.3
119.10662	0.8
121.10131	0.2
123.04398	9.9
127.03884	6.7
131.08504	0.2
133.10083	0.2
145.02832	1.9
145.04930	1.3
145.10121	0.1
146.03181	0.8
147.08153	0.1
147.11636	0.2
149.05942	0.3
149.09518	0.1
161.09642	0.2
165.05443	0.3
177.05440	2.4
178.05745	0.9
184.07297	0.6
207.06337	0.2
208.25327	0.1
211.07826	0.1
231.06557	1.1
249.07520	22.9
250.07748	0.2
267.08569	22.2
268.09103	0.2
297.38016	0.1
304.54922	0.2
361.60590	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
53.76905	0.2
55.01859	3.3
55.05499	0.5
56.66408	0.2
57.03175	0.3
57.03428	6.7
57.07064	0.5
59.04995	0.3
59.13149	0.2
61.02915	11.9
65.03932	1.1
67.05481	1.2
68.93922	0.2
69.03416	22.4
69.07063	1.3
71.01330	0.5
71.04974	3.0
73.02896	5.1
79.05458	1.3
79.10401	0.3
81.03400	9.6
81.07049	2.1
83.01334	0.5
83.04954	1.4
83.08600	0.2
85.02888	98.8
85.06528	23.0
86.03222	0.4
87.04455	2.6
91.03928	4.2
91.05465	1.2
92.08746	0.5
92.09346	0.5
93.07020	1.8
94.06565	0.4
95.04937	2.7
95.08580	1.6
97.02869	29.8
97.06512	0.9
99.04426	5.6
101.02354	1.1
103.03945	0.4
105.03374	5.6
105.07009	1.3
107.08578	1.0
109.02857	9.9
109.06509	1.1
109.10126	0.5
111.04418	1.0
115.03908	1.1
117.06969	0.4
118.06518	1.7
119.08561	1.4
120.04438	2.5
120.08057	0.3
121.02843	100.0
121.06478	1.1
121.10152	0.4
123.04420	0.6
123.08027	1.2
125.06001	0.3
127.03886	20.9
130.06511	0.4
131.08582	1.0
132.08037	0.4
133.10123	1.0
135.08072	0.9
136.07614	1.1
137.09570	0.4
139.03882	98.3
140.04179	0.3
145.04938	25.9
145.10089	0.6
146.06004	2.7
147.08046	0.4
149.09628	0.4
151.03880	0.4
151.07510	0.3
156.07956	0.3
160.07526	2.3
161.13260	0.3
163.05986	10.6
163.07339	0.7
172.07515	0.3
187.07603	0.4
193.08598	0.5
198.08717	0.3
205.08578	1.6
211.09616	1.0
229.10654	3.2
238.10457	0.3
249.07562	0.5
251.63417	0.3
280.11639	0.6
287.05328	0.4
289.09283	0.3
298.12759	5.5
325.11133	1.7
409.18411	0.3
411.97998	0.3
497.18576	0.4
550.24634	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.2
53.00288	0.2
53.03938	3.0
55.01853	0.9
55.05503	1.1
57.03430	1.4
57.07058	0.1
61.02902	0.8
65.03895	0.1
67.05489	1.5
67.05783	0.1
69.03413	6.7
69.07051	1.6
71.04956	0.8
72.68769	0.1
73.02904	0.2
74.09678	0.1
77.03912	0.6
79.05006	0.1
79.05470	7.1
81.03397	10.5
81.06590	0.2
81.07030	3.5
82.07368	0.2
83.04960	0.7
83.08595	0.7
83.26266	0.1
85.02887	11.1
85.06558	0.2
91.03936	0.1
91.05447	1.6
93.07021	2.3
94.07333	0.2
95.01305	0.7
95.04948	7.1
95.08584	2.4
97.02869	6.4
97.06505	6.7
97.10133	1.1
99.04430	1.6
105.03370	100.0
105.06995	2.7
106.03716	0.2
107.08570	2.7
108.08895	0.1
109.02857	6.3
109.06488	0.9
109.10140	1.7
111.04465	0.1
111.08089	0.3
117.07015	0.6
119.08559	2.7
120.08922	0.2
121.06483	0.2
121.10143	1.2
123.04402	12.1
123.07981	0.3
123.11668	1.1
124.03900	0.1
125.09619	0.3
127.03889	4.4
127.07517	0.3
127.11183	0.3
129.06967	0.3
131.08517	0.9
133.10092	1.7
135.04372	0.2
135.11627	1.2
136.11948	0.2
137.09650	0.2
139.11176	0.5
141.01834	0.5
141.09032	0.2
143.08488	0.6
145.04936	1.6
145.10123	0.9
147.04391	0.6
147.11661	1.9
149.09590	0.6
149.13269	0.3
151.11151	1.6
157.10127	0.3
159.08067	0.1
159.11694	0.6
161.05943	0.3
161.09569	0.2
161.13264	0.2
163.03888	1.4
165.12730	0.9
167.06999	0.2
167.08461	0.2
171.08032	0.2
173.09647	0.2
173.13203	0.2
175.11153	0.1
177.05486	0.2
179.10637	0.2
185.13280	0.3
187.07486	0.2
189.09137	0.2
189.12613	0.2
191.10611	0.2
193.12253	0.7
195.07906	0.2
199.07619	0.2
201.09125	0.2
203.17914	0.9
204.18248	0.2
207.06660	0.2
211.07434	0.2
211.13177	0.3
213.09146	0.3
215.07098	0.3
221.19011	0.9
222.19272	0.2
231.06441	1.1
241.08543	0.6
249.07512	8.0
259.09631	0.8
263.05374	0.3
267.08566	16.6
281.06540	1.0
285.16998	0.2
299.12729	0.2
301.16486	0.2
311.12613	0.6
313.14398	0.2
313.21494	0.3
321.24063	0.5
327.15924	0.2
331.22601	1.3
337.14276	0.3
349.23700	2.4
355.15335	2.2
367.24686	2.0
373.16501	0.2
470.42047	0.1
475.26480	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.8
53.03938	1.5
55.01871	0.9
55.05505	19.8
55.59473	0.8
57.03425	14.1
57.07067	3.5
64.29565	0.8
64.35690	0.8
65.03913	1.0
67.05493	62.8
69.03405	0.9
69.07055	19.4
71.04979	4.4
79.05473	35.8
81.07038	100.0
83.04966	4.7
83.08588	9.8
85.06537	4.5
87.53117	0.7
91.05452	27.7
92.03365	0.9
92.08978	4.9
93.06429	1.4
93.07020	41.7
95.04944	4.0
95.08585	44.4
97.06517	5.4
97.10155	1.3
99.08083	1.1
105.07011	35.1
107.04824	0.9
107.08590	27.8
109.06492	3.9
109.10130	12.8
111.08049	1.4
117.07024	6.5
119.08553	27.8
121.10124	29.0
123.08050	3.7
123.11691	21.0
131.08525	8.3
133.10127	7.8
135.11681	8.6
144.60690	0.9
145.10144	6.7
147.11668	32.5
147.12740	1.5
149.13242	5.1
149.98479	1.1
157.10042	1.8
159.11687	4.1
161.13257	3.3
163.14822	1.3
165.12668	10.2
173.13240	1.7
184.71642	1.0
187.14873	1.3
205.15845	1.1
229.14264	1.4
243.21082	3.9
261.22067	10.7
267.15851	21.7
279.23236	1.1
285.16907	20.0
317.24658	1.8
335.22351	1.6
335.25729	46.3
470.92358	1.0
545.38269	20.3
563.39539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
54.17604	0.7
55.01861	1.0
55.05503	15.0
57.03432	12.9
57.07067	2.2
65.03935	1.2
67.05492	52.5
69.07059	18.0
71.04606	0.8
71.04982	5.5
79.05054	1.8
79.05478	34.1
80.49233	0.8
81.03410	1.3
81.07039	100.0
83.04970	8.2
83.08611	8.8
85.06539	6.4
91.05459	32.0
92.08996	9.2
93.07023	40.1
95.04953	5.3
95.08583	45.0
95.09196	1.4
97.06512	6.1
97.10168	1.2
99.08074	1.8
105.07019	37.5
107.08580	23.6
109.06495	7.0
109.10130	12.6
111.08088	1.3
113.05958	1.0
117.06993	5.4
119.08562	29.4
121.10123	28.0
123.08048	3.9
123.11687	24.3
127.07534	1.0
129.06950	1.2
131.08557	7.2
133.10133	8.5
135.11668	9.4
145.10170	6.2
147.11665	39.6
149.09587	1.1
149.13228	4.7
157.10072	2.1
159.11716	1.8
161.13152	1.5
163.14833	1.5
165.12729	14.4
173.13261	1.3
229.14267	4.0
241.91798	0.9
243.21051	3.8
261.22037	11.4
267.15884	26.6
279.23239	1.7
285.16910	28.8
317.24829	3.7
335.25720	28.0
353.26721	1.3
504.13080	1.0
509.09515	0.9
527.37695	1.5
545.38403	20.7
563.39294	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.9
53.03944	1.4
53.74788	0.5
55.01861	2.8
55.05501	15.6
56.46735	0.6
57.03432	11.9
57.07066	3.9
60.56587	0.5
67.05492	51.1
69.07053	21.6
69.40247	0.6
71.04968	3.5
73.06570	0.7
75.12177	0.6
79.05474	34.7
81.07040	100.0
83.04961	5.2
83.08604	8.4
85.06531	5.8
91.05460	27.5
92.09013	5.5
93.06419	1.2
93.07023	35.8
95.04913	5.5
95.08585	45.8
97.06513	6.8
97.10133	2.7
99.08080	1.7
105.07017	32.4
107.08576	23.8
109.06503	5.3
109.10144	11.4
111.08031	0.9
117.06985	3.4
119.08555	28.4
121.10122	25.9
123.08022	2.8
123.11687	23.4
127.07521	0.9
129.07022	1.6
131.08527	7.2
133.10078	7.0
135.11682	7.9
137.09669	0.7
137.13234	1.5
145.10135	6.1
147.11667	41.5
149.13242	4.5
150.29906	0.7
157.10110	1.5
159.11700	4.9
161.13260	3.2
163.14815	1.3
165.12729	14.6
173.13242	3.4
175.11171	1.1
183.13811	1.2
187.14813	0.8
193.12276	0.7
208.92311	0.7
225.83672	0.6
229.14398	1.6
243.21049	2.8
249.40155	0.7
259.29654	0.7
261.22104	11.4
267.15887	21.7
279.23230	1.3
285.16885	29.3
317.24725	3.9
335.25754	25.1
527.37158	3.0
545.38312	17.6
560.68774	0.9
563.39453	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76796	0.8
53.03937	1.8
55.01856	1.4
55.05503	16.7
57.03429	14.9
57.07052	2.0
65.03934	1.0
67.05490	59.3
69.07050	21.4
69.81431	0.9
71.04968	3.7
79.05471	39.6
81.07035	100.0
83.04959	7.1
83.08612	9.2
85.06525	4.7
91.04882	1.3
91.05453	32.9
92.64151	0.9
93.07019	45.0
95.01617	3.6
95.04925	4.0
95.08578	41.3
97.06502	5.4
97.10146	1.2
98.67007	0.8
99.08068	3.3
104.70300	0.9
105.04487	0.8
105.07006	38.1
107.08569	22.9
109.06497	5.6
109.10154	13.7
111.08057	1.1
111.10954	0.9
117.06998	4.8
119.08549	30.4
121.10104	24.9
123.08048	2.1
123.11684	22.0
127.07521	1.1
129.06941	1.6
131.08551	8.6
133.10110	7.4
135.08046	1.0
135.11659	9.5
137.13283	3.4
145.10083	6.2
147.04730	1.2
147.11664	43.0
149.09587	1.2
149.13229	4.6
157.10072	1.8
159.11676	4.8
161.13208	1.6
163.14809	1.7
165.12715	11.3
173.13216	4.9
175.11113	1.4
187.14853	1.0
193.02760	0.9
243.21002	4.7
255.68791	1.0
261.22092	13.5
267.15808	23.7
279.23254	1.9
285.16888	20.6
317.24579	1.8
335.25751	50.6
387.66190	0.9
527.36719	1.5
545.38190	27.4
563.38837	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	563.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.9
57.03407	0.9
57.07068	1.4
58.42505	1.3
59.81406	1.0
61.49318	0.9
64.30844	0.9
69.07061	1.1
71.08627	1.0
81.07050	1.7
90.69059	1.1
92.09058	6.4
93.07059	1.0
95.08549	1.8
119.08635	1.3
123.92414	1.1
125.97421	1.0
251.12607	2.0
307.15231	4.9
353.63055	1.3
563.39075	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	563.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
57.03431	0.8
66.75264	0.6
67.05486	3.1
69.07044	0.8
74.99891	0.6
75.99768	0.5
79.05476	3.2
81.03405	2.3
81.07045	2.6
83.08601	0.8
85.02893	1.3
91.05463	4.0
92.09164	4.4
93.07025	2.5
95.08588	0.8
96.21076	0.6
105.07005	3.8
107.08586	1.2
109.06530	0.6
113.02361	0.7
119.08557	2.5
121.10138	0.8
133.10133	3.7
151.11177	0.7
161.09570	0.8
179.10655	1.0
182.15794	0.7
193.12263	0.8
248.42577	0.7
251.12531	1.5
279.11984	6.1
307.15155	1.2
335.14694	3.4
520.81238	0.6
563.28174	100.0
564.28748	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.05525	0.3
56.65405	0.2
57.03419	2.4
61.02893	0.2
67.05486	0.9
69.03413	2.5
69.07051	0.9
71.04970	0.4
73.02920	0.3
75.04454	0.3
78.09438	0.3
79.05486	1.3
81.03391	3.6
81.07037	1.9
82.28328	0.2
83.04967	0.4
85.02879	3.3
85.06537	0.5
86.09674	0.2
89.03900	2.9
91.05451	3.0
92.43862	0.2
93.07001	1.7
95.04922	1.2
95.08574	2.0
97.02864	1.4
97.06521	0.4
99.04447	1.2
105.03387	1.7
105.06392	0.3
105.06977	1.6
107.08553	1.6
109.02840	2.1
109.06458	0.8
109.10142	1.3
111.08044	0.3
116.04977	0.2
117.03348	19.0
119.04897	0.6
119.08532	1.6
119.62968	0.2
120.63325	0.2
121.06489	0.2
121.10105	1.6
123.04394	0.3
125.09602	0.4
127.03880	0.6
131.04953	0.3
131.08553	0.5
133.10110	0.9
134.03604	1.2
135.04384	1.8
135.11684	0.5
138.92906	0.2
143.08517	0.3
145.02820	68.4
145.10051	1.0
146.03023	0.2
147.04361	1.8
147.11649	1.4
149.05956	7.3
149.13261	0.3
157.10086	0.2
159.11688	0.3
161.13162	0.4
162.03076	9.2
163.03836	1.6
171.04361	0.9
171.11679	0.3
173.02325	0.3
173.06007	0.3
174.03078	0.9
175.03879	1.4
176.04572	0.4
177.05423	100.0
178.05818	0.5
186.05515	0.4
187.07545	0.6
189.05359	0.3
189.09074	0.3
191.06961	0.3
195.06496	0.5
201.05392	0.3
203.06908	0.7
203.17860	0.4
215.07024	1.4
219.04501	0.4
219.06482	7.8
220.26056	0.2
238.18880	0.2
251.09070	42.8
252.09317	0.4
269.10022	0.4
304.22818	0.2
321.09323	0.4
365.26486	0.3
377.12018	1.3
395.13342	2.0
413.09259	0.3
413.14291	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	562.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.6
55.05502	25.5
64.20927	5.5
67.05494	69.7
69.03412	27.0
69.07051	35.5
71.04942	7.4
79.05471	71.7
81.03406	63.4
81.07044	100.0
83.04967	9.1
83.08600	8.3
85.02334	5.3
85.02892	26.6
91.05478	55.0
92.08577	6.0
92.09098	29.2
93.07024	79.9
95.04961	11.0
95.08567	57.6
97.02838	26.3
99.04368	8.0
105.07012	76.4
107.08567	45.9
109.06420	6.9
109.10133	29.5
117.06994	14.4
119.08554	45.4
121.10126	31.2
127.03887	6.2
129.06902	7.5
131.08577	30.1
133.10083	29.1
135.11674	12.7
144.09346	6.6
145.10135	27.2
147.11670	16.5
159.11620	14.4
161.13206	7.3
169.10168	8.3
173.13118	12.0
315.23184	7.2
387.25363	10.2
405.25906	10.7
465.24164	7.3
481.59476	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	562.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
55.05505	25.0
57.38953	2.5
61.02917	4.3
67.05493	71.0
69.07054	26.4
70.98514	3.0
79.05479	49.9
81.03409	3.7
81.07034	81.3
83.04952	5.2
83.08607	7.2
89.26190	2.8
91.05453	42.1
92.09087	4.8
93.07024	75.7
95.04908	5.2
95.08583	80.0
97.06490	4.3
97.10153	7.5
105.07005	39.4
107.04943	5.1
107.08581	48.8
109.06464	9.8
109.10143	34.1
117.06980	15.0
119.08587	41.6
121.10108	42.4
123.08026	3.1
123.11723	6.2
127.91132	3.1
129.06975	7.8
131.08565	30.8
133.10094	28.3
135.08109	3.3
135.11678	25.6
137.09630	3.5
143.08551	12.1
145.10088	21.2
147.08003	7.3
147.11667	17.9
149.09671	4.4
149.13239	7.3
157.10139	6.9
159.11703	5.4
161.09578	5.9
161.13251	4.6
163.11125	5.5
163.14798	4.9
171.11667	17.2
173.13240	13.1
175.14816	3.7
185.13289	7.8
187.14813	6.2
189.12717	4.6
199.14844	11.8
245.22673	5.2
269.22559	6.7
287.23630	13.1
305.24747	27.0
307.18900	3.5
329.24463	13.4
347.25748	100.0
365.26733	18.1
425.28775	19.5
480.74026	3.4
544.36243	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	562.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88732	0.9
55.01848	2.7
55.05500	9.8
56.85603	1.0
57.03434	10.8
64.01258	1.0
67.05489	24.2
69.03405	1.7
69.07050	9.1
71.04967	1.8
79.05481	17.3
81.03395	62.4
81.07036	57.2
83.04941	9.1
83.08257	1.0
83.08611	15.1
85.06524	2.3
91.05460	23.2
93.07027	11.7
95.04948	17.0
95.08579	13.0
97.02861	1.6
97.06493	5.6
97.10139	2.0
97.77998	1.1
105.07007	30.3
106.66029	1.2
107.04928	5.8
107.08538	11.9
109.06509	6.8
109.10161	2.2
111.08067	5.0
113.05965	1.4
117.06941	1.3
119.08556	27.5
121.10104	15.8
123.08052	5.9
123.11683	18.5
127.07502	1.6
129.06981	8.0
131.08537	8.2
133.06412	1.7
133.10103	5.6
137.09583	1.3
144.75726	1.4
145.10091	2.3
147.11647	40.4
149.09586	4.4
157.10074	9.3
165.12695	15.3
175.11119	8.1
180.69356	1.0
193.12202	20.6
211.13324	2.4
229.14246	2.2
267.15842	100.0
285.16925	30.0
374.70435	1.2
459.27228	2.8
477.28339	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.3
55.01873	5.1
55.05505	14.7
57.03428	19.7
65.03913	1.1
67.05492	21.7
69.03413	3.9
69.07063	6.5
71.04977	4.5
79.05051	1.2
79.05477	24.2
81.03400	100.0
81.07036	27.5
83.04958	14.8
83.08601	22.8
85.02888	16.2
85.06527	1.3
91.05462	31.0
92.08647	1.8
92.09256	3.3
93.07020	16.0
95.04949	31.1
95.08591	9.2
97.02868	3.2
97.06504	4.2
97.10139	4.6
99.08070	0.7
99.60246	0.7
105.07016	23.9
107.04932	9.7
107.08590	10.9
109.06513	5.6
109.10144	5.0
111.04415	1.4
111.08067	7.8
113.05994	1.4
115.05426	1.1
117.07003	3.1
119.04900	1.2
119.08559	18.5
121.06488	3.8
121.10137	10.0
122.50698	0.7
123.08014	3.2
123.11742	1.4
125.09611	3.0
129.06973	15.4
131.08548	13.5
133.06477	4.2
133.10114	9.1
137.09590	3.3
142.07738	3.0
143.08548	0.9
145.06500	3.1
145.10141	1.3
147.08052	4.3
147.11658	11.5
149.09622	7.6
155.08511	1.1
157.10097	14.1
161.06033	0.6
163.11101	0.8
165.12756	2.5
175.11160	13.5
189.11084	0.7
193.12209	32.9
211.11322	1.0
211.13254	11.0
255.13702	1.1
267.15854	65.8
273.14673	2.7
285.16937	10.9
349.21396	1.6
353.88251	0.8
353.93503	0.7
367.22495	6.1
378.71942	0.7
385.23660	8.2
403.24573	1.6
433.25989	7.2
441.26303	3.1
459.27347	39.7
477.28400	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	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.7
55.01857	25.9
55.05308	2.2
55.05502	37.5
57.03424	30.9
57.07045	4.2
61.02900	2.6
67.05145	3.9
67.05492	87.1
69.03404	11.5
69.07054	28.7
71.04964	10.5
75.90147	2.3
77.19160	2.4
79.05473	61.5
81.03400	22.8
81.03798	2.8
81.07037	100.0
83.04967	22.4
83.08615	19.7
85.02893	4.6
85.06519	12.0
91.05457	78.9
93.07016	62.8
95.04948	23.8
95.08579	43.6
97.02878	2.9
97.06511	16.9
97.10164	10.2
105.07005	72.7
107.04920	10.5
107.08568	68.5
109.06478	24.9
109.10140	78.2
111.04434	4.4
111.08055	9.7
116.04664	4.8
117.06982	12.4
119.08553	21.8
121.06494	4.0
121.10110	17.9
123.04407	3.4
123.08057	13.8
123.11655	12.8
125.09607	6.4
129.05495	10.7
129.06972	3.6
131.08554	18.7
133.06464	11.1
133.10104	98.4
135.08046	17.0
135.11661	18.9
137.05937	16.2
137.09535	4.3
143.08533	5.3
145.10130	10.7
147.08054	4.0
147.11693	5.8
149.09572	11.2
151.11137	40.2
157.08661	3.1
157.10112	5.9
159.11684	4.4
161.09579	5.6
161.13208	5.1
163.11133	10.5
165.09077	5.5
175.11171	5.9
177.09222	2.7
177.12801	3.9
179.14282	3.5
181.12236	3.7
193.12404	3.9
221.18872	3.2
253.14270	97.9
254.14255	3.2
267.15817	4.2
271.15335	17.4
273.18381	11.9
291.19467	23.0
301.16324	13.5
305.24622	18.4
319.26355	15.9
347.21964	5.7
347.25720	57.4
365.23074	82.8
365.26941	20.5
379.38412	2.8
383.24323	4.9
421.29358	88.8
425.37531	3.0
439.30124	4.7
477.28018	3.1
519.27161	4.4
527.28430	3.6
562.30780	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	562.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.9
53.03942	0.9
53.84055	0.7
55.01857	6.3
55.05504	24.0
57.03189	0.7
57.03429	8.0
57.07069	0.7
61.02903	4.6
67.05493	28.5
69.03421	8.2
69.06725	1.1
69.07059	25.1
71.04973	1.7
73.02876	0.8
78.43223	0.6
79.05470	29.7
81.03391	16.0
81.06594	1.4
81.07038	23.9
83.04967	6.2
83.08603	14.4
85.02879	8.7
89.03893	6.8
91.03941	0.8
91.05459	21.2
93.07018	24.1
95.01310	0.9
95.04953	12.4
95.08572	14.0
97.02869	11.7
97.06494	3.6
97.10155	14.5
99.90035	0.8
105.03365	5.9
105.07018	21.8
107.04942	9.8
107.08572	16.4
109.02860	1.1
109.06491	4.2
109.10148	10.2
111.04431	1.3
111.08034	1.5
115.05448	0.8
116.38778	0.8
117.03355	7.9
117.07019	7.0
119.04927	3.1
119.08551	21.5
121.06516	5.3
121.10123	6.2
123.04404	0.9
123.08039	4.2
123.11669	1.2
125.09592	9.9
127.03874	1.3
128.06219	0.7
129.06953	5.4
130.07780	1.2
131.08546	10.3
133.06378	6.1
133.10098	8.9
134.07190	1.4
135.04378	18.7
135.07996	3.8
135.11646	4.1
137.09570	3.4
141.06905	1.2
142.07805	0.9
143.08519	3.6
145.02844	9.5
145.04944	1.2
145.10094	7.8
147.08022	5.1
147.11720	6.2
149.09563	3.5
149.13290	2.4
157.10081	2.9
159.11708	5.6
161.09566	3.2
161.13301	1.5
162.10408	1.1
163.03876	50.0
163.11151	2.7
163.24812	0.8
171.11609	1.4
173.13226	1.2
175.11154	4.0
181.51665	0.8
185.13144	1.3
189.11177	1.8
193.12187	7.1
203.17899	4.5
203.26035	0.8
211.13258	1.4
223.13231	17.8
227.12692	3.0
249.14812	4.2
259.20575	1.0
263.16470	1.0
263.19781	0.7
267.15793	5.0
273.18454	10.4
285.16971	6.5
291.19479	100.0
347.21945	1.8
351.25284	3.0
365.23157	78.1
456.25729	0.9
459.27289	4.3
477.28079	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	562.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	0.9
53.03927	5.8
55.01865	15.4
55.05502	22.0
57.03416	16.0
57.07059	1.0
60.64490	1.2
61.02905	5.0
65.03905	1.5
67.05485	72.3
69.03401	10.4
69.07049	23.4
69.31376	0.9
71.04967	8.2
73.02892	2.2
79.05464	46.3
81.03389	28.8
81.07030	86.8
83.04961	15.3
83.08601	12.3
84.56278	0.9
85.02882	22.7
85.06512	9.0
91.03913	2.0
91.05449	66.0
92.08980	6.1
93.07012	48.5
95.04948	17.9
95.08576	28.4
97.02863	8.2
97.06509	6.6
97.10119	2.0
99.04417	2.3
102.76844	1.0
105.03329	1.6
105.04581	1.0
105.07001	71.1
107.04926	12.2
107.08570	53.6
109.02857	1.1
109.06497	12.8
109.09380	2.4
109.10130	75.9
109.71001	0.9
111.04419	2.0
111.08038	9.0
112.44531	0.9
113.05981	4.2
115.05422	1.1
116.67403	0.9
117.07006	8.1
119.08549	22.8
121.06473	7.6
121.10092	11.5
123.04411	1.5
123.08057	4.2
123.11674	17.9
125.05953	1.2
125.09648	1.1
127.03901	1.7
127.07476	2.2
128.06149	1.1
129.05431	2.1
129.06976	6.3
131.08524	14.4
133.06459	8.6
133.10095	84.0
135.08026	7.3
135.11676	6.3
137.09550	1.9
143.08521	5.7
145.04951	2.1
145.10100	6.8
147.08043	6.8
147.11635	9.4
149.09575	12.5
149.13174	1.2
151.11133	34.8
155.08556	1.3
157.10100	6.9
159.08035	3.7
159.11665	1.2
161.09605	6.8
161.13248	2.3
163.05960	1.3
163.11140	1.6
169.12155	2.6
171.11612	1.8
175.11137	3.9
177.09018	1.5
189.12714	1.5
191.60199	1.1
193.12225	6.9
203.17947	1.5
206.82970	1.1
211.13231	5.2
213.16243	1.2
215.12740	1.6
245.19011	2.5
253.14273	91.4
263.20029	1.5
267.15845	7.8
269.13724	4.4
271.15302	11.7
273.18356	9.3
285.16840	5.5
291.19501	12.7
309.20508	1.8
347.22037	2.5
365.23120	100.0
367.22717	1.4
383.24353	1.6
459.27203	4.9
472.32043	1.3
477.28357	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	562.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01860	1.4
55.05499	6.4
57.03428	5.9
60.37376	0.5
61.02915	11.3
61.57600	0.6
67.05492	26.0
69.03416	18.8
69.07047	8.1
71.04980	1.5
73.02898	3.1
79.05473	23.9
79.05818	0.6
81.03401	8.9
81.07037	44.4
81.20592	0.6
83.08612	0.8
85.02887	100.0
87.04455	1.4
87.87377	0.7
91.03936	3.5
91.05457	26.5
91.06000	1.1
92.08852	2.8
93.07023	34.6
95.04954	3.8
95.08109	0.9
95.08583	49.9
97.02872	27.0
99.04427	3.8
105.07017	51.1
107.08577	40.8
109.02864	9.4
109.06510	1.3
109.10147	30.3
109.10859	1.4
117.07015	1.3
119.08562	30.1
121.10114	16.6
123.11700	4.5
127.03876	18.4
131.08572	3.1
133.10112	24.9
134.11908	0.7
135.11653	8.5
145.04929	19.8
145.10146	3.0
147.11671	33.3
159.11620	1.0
161.13216	10.2
162.11259	0.7
163.05984	10.1
175.14798	3.5
203.17914	25.2
258.97662	0.7
267.16034	1.0
325.11108	1.4
365.23056	1.1
413.66513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86556	0.3
53.03926	0.6
53.84626	0.4
55.05499	3.0
57.03418	1.7
57.07054	0.5
61.02894	2.0
67.05492	4.4
69.03414	5.7
69.07046	4.2
69.55679	0.4
71.04955	0.7
73.02905	0.4
79.05471	1.6
81.03390	2.7
81.07036	11.3
83.08590	1.7
85.02887	23.8
91.03936	0.5
91.05460	3.6
92.08846	0.7
93.07027	5.3
95.08012	0.8
95.08579	16.2
97.02872	7.3
97.10098	0.5
99.04436	0.7
105.03374	1.4
105.07011	19.7
107.08572	6.7
109.02841	2.2
109.10137	18.8
117.06982	0.7
119.08559	23.0
120.41544	0.4
121.10135	6.7
123.11675	16.5
127.03873	4.3
131.08517	1.8
133.10107	14.6
135.11639	1.9
145.04924	4.6
145.10103	2.2
147.11664	28.7
159.11850	0.4
160.12448	1.0
161.13229	8.9
163.03804	0.6
163.05986	1.9
175.14745	1.6
177.80110	0.4
196.40860	0.4
203.17918	100.0
221.19078	1.5
274.55179	0.4
282.87286	0.5
348.97229	0.5
509.26941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67251	0.9
53.03932	1.9
55.01857	2.2
55.05505	10.6
57.03429	5.3
57.07062	1.3
61.02915	9.7
65.03923	1.6
67.05492	31.8
69.03418	17.5
69.07056	18.8
71.04989	4.0
73.02905	2.4
76.55866	1.0
79.05471	24.9
80.58218	1.0
81.03410	9.5
81.07036	56.9
83.08561	1.4
85.02892	100.0
87.04454	1.7
91.03915	2.4
91.05458	26.4
92.09184	6.9
93.06549	1.2
93.07022	52.6
95.04945	5.8
95.08587	75.9
97.02875	26.9
99.04446	2.5
103.03912	1.2
105.07014	65.2
107.08576	70.9
109.02847	10.4
109.10139	69.3
111.11757	2.1
119.08564	46.6
121.10122	27.8
123.11683	9.6
127.03906	19.1
131.08542	2.5
133.10118	27.1
133.11061	2.3
135.11661	18.3
145.04944	23.6
145.10123	4.5
147.11661	52.3
161.13219	11.0
163.06010	9.9
175.14790	2.5
203.17928	62.3
221.18918	1.7
239.92751	1.2
301.16559	1.2
325.11142	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	2.5
53.03930	2.4
54.81812	1.7
55.01859	15.6
55.05505	53.7
57.03424	16.8
57.07074	6.4
57.94766	1.5
59.04979	3.9
63.27865	1.6
65.03934	1.7
67.05491	82.2
69.03417	2.6
69.07053	27.0
71.04969	3.6
73.79545	1.7
79.05473	63.0
81.03408	15.7
81.07036	87.5
83.01328	1.9
83.04967	21.1
83.08607	30.0
85.06534	3.0
91.05461	54.5
93.07021	74.6
95.04913	18.4
95.08585	53.5
97.06501	8.9
97.10149	26.5
105.04488	2.2
105.07010	47.8
107.04955	7.9
107.08578	44.3
109.06512	11.4
109.10136	26.1
111.04440	7.0
111.08050	6.4
117.06995	26.2
119.08560	36.9
121.06465	8.3
121.10136	22.6
123.08024	3.7
123.11712	8.7
125.09595	21.7
129.06964	14.1
131.08554	37.3
133.10107	23.7
135.08022	2.8
135.11688	20.6
141.06960	2.4
143.08525	13.2
145.10098	34.6
147.11674	17.1
149.13264	7.8
153.12730	7.2
155.08481	6.6
157.10112	14.0
159.08028	2.1
159.11679	21.2
161.13243	6.7
163.11143	13.5
169.10118	7.4
171.11699	11.5
173.09636	3.6
173.13258	9.1
175.11224	3.0
175.14812	2.2
181.10106	3.8
181.12187	2.6
183.11607	3.9
185.13225	9.0
187.14853	2.5
189.11218	8.8
189.12764	1.8
191.10794	2.3
195.11647	3.1
197.13303	3.3
209.11446	1.9
227.12729	13.0
254.61818	1.7
259.20407	3.0
261.22147	7.7
267.15903	2.9
277.21515	2.3
283.15344	19.2
299.23535	8.4
301.21500	3.0
317.24600	3.6
333.24213	1.8
335.25748	19.9
357.24338	2.3
359.30795	1.7
433.30951	4.0
451.31970	8.8
469.33044	10.3
487.34006	3.4
525.35614	22.2
543.36688	100.0
561.37897	30.4
584.71631	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	9.5
55.05509	55.4
57.03413	6.2
57.07067	5.5
58.14443	3.0
58.70170	3.5
62.30427	3.6
66.76054	3.7
67.05495	78.3
69.03413	5.4
69.07043	17.6
69.98288	3.6
70.66485	3.6
75.24381	3.9
75.99126	3.9
77.74579	3.4
79.05475	52.5
79.76585	3.6
80.53616	3.2
81.03396	8.7
81.07042	84.6
83.04970	21.6
83.08599	19.1
89.83901	3.6
91.05468	55.5
92.09100	11.3
93.07038	54.8
95.04953	22.6
95.08579	51.5
97.06566	4.9
97.10139	33.4
105.07011	44.4
105.68434	4.2
107.04961	6.4
107.08575	43.4
109.06574	4.0
109.10157	20.6
111.04460	5.7
111.08076	7.8
117.07008	22.0
118.13988	3.9
119.08563	44.7
121.10114	19.7
123.11733	4.1
125.09627	21.3
129.06993	7.1
131.08607	33.7
133.06485	4.3
133.10107	20.8
135.07947	5.4
135.11664	22.3
142.07741	3.8
143.08554	15.7
145.10120	36.3
147.11707	19.2
149.13292	5.2
153.12738	8.7
157.10051	6.1
159.11641	16.1
161.13197	8.1
163.11179	18.5
169.10075	5.7
171.10277	4.4
171.11696	17.9
173.13225	15.6
175.11044	4.9
181.12250	6.3
184.33791	4.8
185.13251	9.7
187.14882	6.7
189.11279	7.2
197.13255	5.6
201.12782	4.9
209.13461	4.6
227.12723	19.2
261.22006	8.3
266.07660	4.1
283.15344	18.5
299.23645	8.9
317.24640	6.1
335.25754	6.9
451.31598	7.7
487.33841	6.0
525.35535	21.6
543.36664	100.0
561.38226	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.0
55.01857	7.8
55.05506	71.9
57.03420	15.6
57.07058	4.9
64.68920	2.9
67.05489	89.8
69.07066	27.3
73.75808	3.3
79.05474	69.4
79.73856	3.7
81.03381	8.3
81.07040	81.6
83.04962	22.1
83.08607	25.2
91.05453	54.6
91.82233	3.2
92.08992	23.1
93.07018	79.2
95.04936	19.0
95.08582	54.1
97.06496	8.2
97.10134	27.8
104.10764	5.3
105.07011	55.9
107.04929	6.2
107.07944	4.7
107.08579	54.6
109.06478	6.7
109.10155	17.5
111.04414	6.4
111.08051	8.5
117.07001	25.6
119.08567	39.8
121.06475	4.8
121.10113	20.6
123.08011	5.3
123.11646	4.1
125.09618	26.0
129.06987	21.6
131.08560	39.4
133.10089	26.6
135.07996	5.2
135.11678	19.5
143.08525	14.9
145.10088	29.0
147.11664	7.8
153.12732	4.7
155.08533	4.3
157.10170	14.2
157.97632	4.0
159.11684	24.2
161.13235	8.5
163.11168	12.9
169.10112	7.8
171.11676	7.4
173.09547	5.7
173.13257	16.8
183.11722	5.4
185.13266	7.9
187.14729	13.2
189.11238	5.5
197.13164	6.0
199.14757	4.1
223.14732	4.2
227.12746	7.6
261.22119	8.2
283.15268	16.0
299.23523	8.2
335.25714	17.7
408.37033	3.8
433.30621	6.0
451.31894	7.2
513.88910	4.1
525.35480	21.4
543.36627	100.0
561.38342	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	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16500	4.1
55.01865	5.5
55.05508	41.7
57.03416	11.2
67.05489	91.9
69.07040	25.1
79.05472	83.3
81.07031	84.6
83.08608	21.1
89.05984	9.5
91.05460	36.7
93.07026	94.2
95.04934	12.7
95.08585	100.0
105.06989	27.5
107.04951	7.9
107.08581	64.2
109.10149	9.1
117.07000	28.5
119.08561	23.7
121.06453	8.2
121.10122	31.2
123.11633	6.6
131.08546	6.5
133.10120	7.0
135.11671	61.9
143.08508	8.7
145.10103	41.2
163.11113	80.3
181.12201	6.6
210.85791	5.3
227.12738	78.7
283.15411	40.0
335.25757	86.4
359.14825	6.8
543.36426	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	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16500	4.1
55.01865	5.5
55.05508	41.7
57.03416	11.2
67.05489	91.9
69.07040	25.1
79.05472	83.3
81.07031	84.6
83.08608	21.1
89.05984	9.5
91.05460	36.7
93.07026	94.2
95.04934	12.7
95.08585	100.0
105.06989	27.5
107.04951	7.9
107.08581	64.2
109.10149	9.1
117.07000	28.5
119.08561	23.7
121.06453	8.2
121.10122	31.2
123.11633	6.6
131.08546	6.5
133.10120	7.0
135.11671	61.9
143.08508	8.7
145.10103	41.2
163.11113	80.3
181.12201	6.6
210.85791	5.3
227.12738	78.7
283.15411	40.0
335.25757	86.4
359.14825	6.8
543.36426	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	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36480	1.4
53.00301	2.2
53.03944	4.1
55.01872	14.0
55.05505	55.9
57.03418	11.0
57.07061	3.4
57.42152	1.6
59.04951	2.5
65.03916	3.5
67.05489	76.8
69.03388	2.3
69.07054	23.0
71.04974	4.0
79.05473	68.5
79.51594	1.7
81.03394	16.8
81.07034	77.6
83.04957	14.6
83.08602	29.9
85.02917	2.0
85.06583	3.0
91.05459	46.6
92.08759	10.2
93.07022	58.9
95.04929	16.1
95.08585	43.6
97.02858	2.5
97.06503	8.5
97.10158	26.2
105.06997	43.5
107.04929	4.2
107.08575	46.1
109.06509	9.4
109.10145	24.9
111.04436	11.1
111.08077	8.0
115.05449	2.1
117.07001	24.4
119.08556	39.7
121.06483	3.0
121.10130	22.4
123.08054	3.3
123.11678	8.2
125.09618	20.0
128.06236	3.4
129.06970	14.8
131.08533	32.5
133.06497	2.4
133.10103	26.6
135.08032	4.1
135.11679	17.7
142.07784	2.7
143.08528	14.4
145.06497	2.9
145.10085	27.7
147.08061	2.2
147.11687	18.4
149.13271	7.9
153.12718	3.9
155.08601	4.2
157.10086	15.1
159.08086	3.5
159.11667	16.0
161.09572	2.7
161.13245	7.5
163.11133	14.9
168.09245	2.0
169.10046	8.4
171.11664	9.6
173.13243	10.3
175.11250	2.9
175.14777	3.1
181.10132	2.0
181.12143	3.7
183.11632	7.4
185.13216	3.5
187.14815	6.8
189.11211	4.4
193.12260	3.3
195.11685	2.5
197.13210	2.6
199.14832	4.0
210.23769	1.9
212.97272	1.9
213.12846	2.0
222.66731	1.9
227.12737	18.5
259.20587	2.9
261.22058	2.8
283.15375	13.6
299.23633	9.2
301.21475	2.7
335.25882	8.5
433.30914	3.7
451.31909	10.8
469.32956	9.3
515.38391	2.2
525.35736	19.8
543.36688	100.0
561.37982	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69867	0.7
56.92487	0.8
56.99689	0.8
57.03424	1.1
57.07057	5.9
58.74962	0.8
66.15334	0.8
67.05464	0.9
69.07072	0.9
71.08600	1.3
81.07044	1.5
86.85780	1.0
92.08708	1.8
95.08613	1.1
123.57915	1.0
135.11661	1.0
141.37341	0.9
188.70897	1.0
249.10909	28.0
305.13538	8.9
306.13586	0.9
313.27350	2.3
392.98380	1.1
432.31232	0.9
520.77289	1.1
561.37518	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	560.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	20.8
61.45616	16.1
66.39433	14.8
67.05483	97.4
79.05459	40.6
81.07030	100.0
83.08611	25.1
92.08734	55.2
92.09321	52.6
93.07000	31.7
95.08565	82.7
105.07016	31.1
107.08566	41.9
109.10126	36.2
119.08533	33.7
121.10100	24.0
123.11636	20.9
126.81751	18.1
133.10081	20.1
135.11702	21.6
137.29926	17.2
137.88896	19.1
145.10048	29.6
150.27484	17.5
156.52185	17.1
170.07748	18.0
173.13167	20.0
180.89374	18.0
224.93065	21.4
261.22058	62.7
274.37900	17.0
304.61060	18.6
319.88553	18.3
335.25705	25.9
353.26559	39.3
460.83310	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	560.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81462	18.0
55.05515	17.9
64.90604	16.5
65.12550	15.9
67.05489	100.0
74.21063	14.6
79.05473	32.6
81.07037	38.7
91.05466	19.0
93.07032	39.1
95.08597	73.0
99.45320	14.8
105.07001	20.2
107.08589	19.8
109.10159	30.4
119.08606	24.7
121.10156	24.7
133.10117	17.8
145.10124	18.2
163.14784	18.6
217.23175	17.4
353.26544	22.2
453.33228	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	560.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90429	2.2
51.27236	1.8
53.35043	2.5
54.82063	2.2
55.05504	16.6
57.03423	10.6
57.07065	41.9
60.27079	2.2
67.05495	85.0
69.07043	17.4
71.04980	27.7
71.08612	34.3
75.04465	3.1
79.05473	11.0
81.03402	4.2
81.07024	37.3
83.08596	18.4
85.06533	4.3
85.10166	23.3
89.88427	2.2
91.05475	14.4
92.08805	11.9
93.07024	14.1
95.08595	34.7
99.04433	5.9
107.08599	5.9
109.10141	85.9
111.11749	3.0
119.08545	9.2
121.10160	4.7
135.11699	12.9
137.09627	14.1
137.13182	2.4
141.84737	2.9
163.11101	4.1
173.11641	6.1
176.82925	2.3
202.30489	2.6
287.18521	14.7
313.27258	25.1
343.73010	2.7
350.14069	2.8
363.60205	2.6
363.85907	2.6
467.37268	100.0
481.38358	4.1
493.38626	3.6
525.41406	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83552	1.1
53.03930	4.7
55.01862	15.6
55.05500	28.7
57.03429	29.9
57.07064	2.4
57.09709	0.9
59.04983	2.3
62.89938	1.0
65.00994	1.0
65.03905	1.5
67.05488	36.1
69.03416	6.2
69.07045	9.2
71.04967	7.7
71.05337	0.9
71.12849	1.2
76.57470	1.2
79.05474	37.9
81.03397	100.0
81.07033	45.3
83.01318	11.6
83.04963	32.5
83.08603	33.1
85.02879	11.1
85.06522	2.8
87.04471	1.6
91.05460	40.1
92.09226	1.9
93.07021	39.9
95.04948	40.4
95.08569	19.1
97.02858	6.0
97.06499	9.2
97.10143	8.5
99.04478	4.1
99.08053	2.6
105.07009	30.5
107.04929	19.9
107.08577	24.6
109.02850	1.3
109.06480	11.4
109.10134	11.5
109.84605	1.2
111.04417	33.9
111.08076	19.3
115.03918	2.8
115.05446	1.8
117.06998	13.0
119.04926	1.6
119.08546	27.3
121.06474	8.1
121.10112	21.8
123.08053	7.9
125.05972	5.5
125.09630	6.5
127.48710	1.2
128.06154	1.4
129.06998	16.0
131.08553	15.8
133.06433	6.2
133.10078	9.4
135.08041	2.2
135.11668	17.8
137.05966	1.4
137.09625	2.6
142.07791	2.1
143.08537	2.0
145.06467	2.7
145.10100	22.4
147.07990	8.7
147.11684	10.7
149.02287	1.5
149.09616	9.0
153.12752	12.5
155.08566	2.1
157.10091	13.0
159.11674	1.7
161.06009	1.9
163.11134	33.5
165.12724	2.4
169.10063	1.6
171.07994	1.3
173.09595	5.5
175.11125	11.7
181.12181	17.0
189.09064	1.1
191.10585	13.7
193.12210	24.6
209.11676	9.5
211.13202	13.4
227.12740	14.1
231.13734	2.7
249.14833	1.5
267.15863	51.1
271.13260	1.6
273.14713	1.4
283.15338	31.5
285.16974	15.1
289.14325	2.7
315.17981	17.0
383.22113	22.5
401.23358	8.7
419.24011	1.6
431.24091	1.2
457.25745	25.5
475.26791	93.3
493.28003	13.5
507.29834	1.8
511.28836	1.8
525.30548	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	560.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
54.81866	1.4
55.01862	13.3
55.05507	28.4
57.03426	25.5
59.04985	1.6
67.05492	31.8
69.03405	3.9
69.07058	8.4
71.04977	3.0
75.08466	1.5
77.07207	1.4
79.05469	33.3
81.03399	97.1
81.07042	39.1
83.01326	9.8
83.04961	17.2
83.08606	26.1
85.02862	2.6
85.06542	2.1
91.05456	27.2
92.09039	7.2
92.90644	1.6
93.07016	34.7
95.04948	33.1
95.08598	13.0
95.85212	1.4
97.02885	3.3
97.06509	3.8
97.10145	9.8
99.04494	2.0
105.03378	2.6
105.07016	23.3
107.04923	11.9
107.08573	21.3
109.06500	12.3
109.10146	7.3
110.83534	1.5
111.04433	3.0
111.08078	9.0
117.07021	7.6
119.08567	20.3
121.06480	8.2
121.10117	11.5
123.04436	1.7
123.08056	12.4
125.09623	6.1
129.06964	13.4
131.08521	12.6
133.06491	3.3
133.10075	10.8
135.08084	2.3
135.11671	9.4
142.07750	2.1
143.08604	2.7
145.06468	2.2
145.10123	18.9
147.08066	7.1
147.11681	8.8
149.09624	3.2
155.08524	2.9
157.10115	10.4
159.11734	2.1
161.05936	2.2
163.11136	20.1
173.09578	2.5
175.11223	3.4
181.12251	2.5
191.10651	2.6
193.12189	19.4
209.11760	2.0
267.15878	45.0
283.15375	35.0
289.14349	2.6
341.53937	1.5
363.21967	2.1
365.21100	2.0
383.22137	21.6
401.23184	10.2
420.25903	1.8
457.25717	34.7
475.26804	100.0
493.27795	10.6
494.33118	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82564	0.2
53.03936	1.1
55.01861	0.8
55.05506	0.4
57.03429	2.1
57.07065	2.5
58.07089	0.2
59.03347	0.2
61.02913	3.7
67.05487	1.0
69.03413	7.9
69.07050	0.3
70.86333	0.2
71.01384	0.2
71.04985	1.2
71.08620	2.9
71.99770	0.2
73.02905	2.2
77.90318	0.2
79.05486	0.9
81.03400	3.4
81.07046	1.2
83.01343	0.2
85.02889	41.5
87.04448	1.1
91.03952	1.7
91.05460	2.9
92.08875	1.8
93.07020	1.2
95.08592	0.5
97.02869	10.9
97.03493	0.4
99.04426	2.0
103.03923	0.3
103.05448	0.4
105.03363	0.2
105.07006	9.6
107.08595	0.4
109.02870	4.0
109.10147	1.0
111.51508	0.2
115.03914	0.2
115.05444	0.3
117.06995	3.5
118.14423	0.2
119.08560	14.0
121.34383	0.2
127.03894	9.9
128.10629	0.2
129.06985	1.2
130.07765	4.0
131.08543	9.3
142.07767	0.3
143.08551	2.6
144.09320	1.4
145.04942	10.8
145.10103	100.0
146.10385	0.3
149.02330	4.6
151.44133	0.2
157.10078	1.1
159.11656	15.3
163.05995	4.8
169.10201	0.4
201.16347	19.8
205.08525	0.4
219.17415	0.2
238.36952	0.2
243.65218	0.2
281.25491	0.2
289.09140	0.3
325.11349	0.9
445.79590	0.3
510.94070	0.2
582.76312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33540	1.0
53.03934	7.2
55.01865	21.6
55.05498	6.9
57.03426	2.0
57.07045	1.6
58.94865	0.9
59.58685	1.0
63.56760	0.9
63.98546	1.1
64.33102	1.2
67.05488	11.9
69.03414	21.0
69.06723	1.2
69.07056	22.4
70.03304	0.9
71.04976	13.5
73.02891	1.1
79.05470	14.7
81.03397	44.6
81.06594	1.9
81.07039	32.3
83.04967	7.2
83.08616	1.7
83.99731	1.3
85.02882	9.8
85.06532	13.4
86.09673	2.1
86.25248	1.3
91.05474	12.7
92.08891	4.9
93.07024	54.3
95.04952	11.5
95.08591	24.1
97.02858	6.9
97.06512	22.4
99.04438	21.4
101.05965	1.2
103.05408	1.1
105.03381	14.6
105.07013	41.4
106.93685	1.0
107.04925	5.2
107.08581	82.9
109.02853	32.2
109.06499	25.3
109.10107	5.0
111.04415	2.6
111.08061	13.1
111.96886	1.2
113.05987	8.3
117.03310	1.1
117.07000	5.1
119.04881	1.2
119.08567	16.6
121.02873	1.3
121.06474	22.4
121.10119	47.6
123.04379	1.6
123.08041	14.4
125.05951	4.6
125.09600	1.4
127.03894	27.4
127.07529	2.3
131.08566	8.8
133.10100	5.4
135.08044	10.1
135.11684	19.9
137.05902	1.7
137.09601	2.5
139.07521	1.6
139.11153	5.0
143.08554	2.1
145.02861	2.7
145.10098	34.6
146.90636	1.1
147.07990	1.8
147.11671	7.1
149.05916	2.0
149.09590	21.5
151.07504	11.9
151.11153	1.4
152.04428	1.2
157.08644	1.5
159.11646	1.7
161.09612	2.4
163.11151	95.2
165.09027	1.7
167.06992	1.6
167.10655	29.7
169.08568	100.0
173.09576	8.5
175.07536	1.6
177.05435	5.9
181.04851	1.4
181.08516	1.8
181.12184	14.9
185.11728	4.7
187.14571	1.1
191.10637	38.5
197.01244	1.9
204.05174	1.1
209.11713	32.3
215.02165	1.7
227.09241	2.3
227.12735	74.2
245.13850	1.5
247.77522	1.3
269.13892	2.7
289.14221	2.5
293.13779	1.5
311.14722	1.4
317.13718	1.4
335.14862	5.1
353.15903	30.6
371.16956	24.6
389.17816	2.7
559.30353	1.5
560.30273	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
55.01855	1.1
57.03423	2.2
59.04974	0.3
61.02890	1.7
63.31032	0.2
67.05466	1.1
68.05002	0.2
69.03421	4.2
71.04966	0.4
73.02872	1.6
73.73220	0.2
73.95802	0.2
81.03365	1.5
81.07031	0.3
83.04960	0.4
85.02887	6.3
85.06539	0.4
86.09632	0.3
87.04424	0.6
91.05391	0.4
97.02866	3.1
99.04401	0.5
101.02338	0.3
105.03411	0.3
109.02834	1.1
109.05077	0.3
113.50200	0.3
127.03866	1.4
134.04596	5.1
135.02982	0.5
137.05957	0.3
145.04938	0.3
146.07030	0.3
148.08717	0.3
152.05618	1.6
158.07108	0.5
165.02283	5.0
175.09731	0.6
181.05415	1.0
182.04919	100.0
184.07430	0.5
185.08073	0.4
194.04939	3.0
200.09319	0.9
205.05367	3.4
216.04608	1.8
219.06943	1.5
221.08432	0.4
224.06033	1.0
231.06923	11.3
248.09581	24.2
266.10635	43.2
314.08966	0.5
337.59201	0.3
338.56573	0.3
398.14801	3.6
403.86078	0.3
427.26746	0.3
428.15881	22.3
429.16223	0.4
560.20074	22.8
561.20264	0.6
587.27649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.2
55.01849	0.2
55.05486	0.2
61.02904	0.2
61.71629	0.2
62.89658	0.1
69.03403	0.3
77.17077	0.2
78.04700	1.4
79.05453	0.7
81.03381	0.3
81.07037	0.3
82.31860	0.2
85.02898	1.6
89.03903	0.2
91.05440	0.8
92.09074	0.8
93.07011	0.3
95.04939	0.7
97.02869	0.7
103.05427	0.4
105.06998	0.4
106.04157	1.0
107.04948	1.0
109.02908	0.2
114.59953	0.2
117.03342	0.3
119.04906	0.4
121.06480	1.7
123.04407	4.4
124.05215	1.8
125.38720	0.2
127.03889	0.2
131.04930	1.3
133.02820	0.2
133.06477	0.7
134.03600	0.3
135.04361	1.0
137.05940	0.8
141.06940	0.2
145.02843	0.3
145.04897	0.2
147.04329	0.6
148.05104	0.2
149.05998	0.3
151.03897	0.9
152.04668	1.6
153.05438	0.6
153.06953	0.3
161.05946	0.7
163.03865	3.4
165.06891	0.6
167.07007	100.0
168.07352	0.3
176.04614	0.3
177.05423	0.2
179.07176	0.2
180.08684	0.2
181.06490	1.2
181.08534	1.4
182.07188	0.3
183.08041	0.3
185.09689	0.3
191.07010	2.1
193.08575	0.8
194.07359	0.2
195.08009	0.6
197.08034	0.2
198.06660	0.6
209.06007	0.6
209.07933	0.3
210.06662	0.2
213.09068	1.1
225.09152	0.3
226.06253	0.7
227.06868	0.3
241.08528	0.9
243.06223	0.2
253.08591	0.2
255.06622	0.3
267.10156	0.2
269.08008	0.7
273.11206	1.3
282.73914	0.2
284.10330	0.2
285.11087	0.2
286.08228	0.2
295.09555	0.2
301.10666	2.0
302.11514	0.6
313.10684	2.5
314.11420	0.3
318.10953	0.4
333.13257	5.2
345.13257	9.9
363.14276	1.9
440.60672	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.4
55.05500	34.1
57.03424	10.4
62.28703	5.5
67.05489	80.2
69.07051	26.3
79.05478	100.0
81.03383	5.7
81.07040	74.3
83.04972	7.4
91.05470	76.7
93.07019	99.1
95.04969	27.6
95.08595	65.1
97.10185	8.1
105.07014	50.6
107.04892	6.2
107.08578	25.1
109.06570	6.3
109.10143	11.1
110.71870	5.3
117.07030	7.8
119.08574	33.3
121.10101	21.2
129.06966	10.2
131.08549	7.2
145.10133	20.7
147.11699	28.6
161.13281	7.1
171.11694	12.8
189.12729	5.8
207.13768	7.2
213.99844	4.9
216.57228	5.9
281.17307	42.1
335.25589	38.5
541.38800	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49172	2.0
54.81906	2.6
55.05499	20.9
57.03421	23.4
57.07068	43.5
58.19921	2.2
67.05485	29.4
69.03394	2.2
69.07041	17.5
71.04980	3.8
71.08603	30.4
75.62894	2.2
79.05481	17.8
81.03396	66.1
81.07034	40.5
83.04961	17.1
83.08604	32.6
85.02891	20.6
85.10165	12.9
85.84799	2.1
91.04974	2.6
91.05434	22.8
92.09023	2.8
92.64021	2.9
92.64584	3.0
93.07013	12.8
95.04941	27.9
95.08577	36.6
97.10155	12.4
105.07019	21.0
107.04983	3.2
107.08603	9.3
109.06489	3.1
109.10138	12.6
111.08076	10.7
113.06011	2.5
119.08547	26.0
121.10144	9.6
123.11661	3.9
129.06987	9.8
131.08553	13.4
133.10155	7.9
147.11684	15.7
149.09552	5.1
157.10089	10.5
170.10315	2.6
175.11191	10.7
193.12167	31.3
211.13266	49.1
222.65848	2.7
267.15784	3.0
285.16815	30.6
296.48514	2.5
313.27304	60.5
328.92847	2.6
400.48071	2.7
465.88705	2.3
505.38837	5.4
513.03644	2.7
523.39801	100.0
550.67651	2.8
557.54132	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.4
55.01864	3.0
55.05501	29.2
57.03425	36.0
57.07065	64.6
57.33118	1.6
63.73763	1.6
67.05491	44.4
69.03406	7.5
69.07059	18.8
71.04982	5.9
71.08614	38.8
72.52660	1.4
77.51010	1.4
79.05051	2.0
79.05476	34.4
81.03396	77.9
81.07033	56.4
83.04962	25.5
83.08598	34.2
85.02885	33.1
85.06535	2.8
85.10168	20.8
89.06004	6.4
91.05454	48.3
92.08717	3.0
92.09323	2.8
93.07020	29.3
95.04942	30.9
95.08585	45.7
97.02852	2.1
97.06500	7.3
97.10118	11.8
99.08038	1.7
99.51539	1.5
105.07011	29.2
107.04950	10.1
107.08574	9.1
109.06495	8.9
109.10133	15.5
111.08066	12.1
113.05989	3.3
117.06906	1.6
119.08554	24.0
121.10074	10.3
123.08011	2.5
123.11693	7.1
129.06979	15.1
131.08530	16.8
133.06451	2.6
133.08553	2.2
133.10118	13.2
137.09583	2.1
142.07762	2.1
147.08005	3.2
147.11601	14.2
149.09592	8.7
157.10104	19.1
165.12685	1.9
175.11154	11.3
193.12186	39.3
203.24081	1.4
211.13245	60.8
217.58922	1.7
229.02121	1.5
231.36610	1.6
241.85605	1.3
267.15845	19.9
285.16931	67.2
313.27283	98.8
505.38580	15.9
523.39825	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	558.327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04679	1.0
53.00305	1.5
53.03926	7.8
55.01858	12.0
55.05263	2.0
55.05507	39.0
57.03426	33.8
57.07064	1.3
59.04986	3.1
67.05494	50.9
69.03407	6.9
69.07050	18.3
71.04973	10.5
71.33350	1.5
79.05471	47.7
81.03399	100.0
81.07034	62.2
83.04967	33.7
83.08606	38.0
85.02888	61.8
85.06534	3.6
91.05462	98.5
93.07021	44.6
95.04941	44.2
95.08585	24.0
97.02885	15.3
97.06509	8.4
97.10149	6.3
99.08046	1.7
103.05502	1.8
105.03401	1.5
105.07008	66.4
107.04952	18.8
107.08584	18.8
109.02854	17.6
109.06488	10.4
109.10134	12.1
111.04394	2.9
111.08068	15.8
113.02351	59.5
113.06025	2.7
115.05447	1.6
117.07006	9.1
119.04925	2.1
119.08560	36.5
121.06475	13.4
121.10123	14.7
123.04420	2.7
123.08063	3.6
123.11633	6.3
125.09609	1.9
127.03940	2.7
128.06174	2.8
129.05467	9.6
129.06966	19.6
131.08531	14.2
133.06470	8.7
133.07422	1.5
133.10106	96.4
135.08051	2.1
135.11737	1.7
137.09547	2.8
141.05463	1.4
142.07767	3.5
143.08514	10.9
145.06548	1.6
145.10056	2.1
147.08041	7.7
147.11676	20.2
149.09592	9.7
151.11176	28.0
153.09111	2.9
157.10112	20.8
161.09598	39.1
163.11084	2.0
171.07980	3.6
175.11122	13.8
179.10626	39.3
189.09029	10.3
193.12192	50.2
207.10144	15.6
211.13261	53.4
211.15259	1.8
212.73071	1.7
225.11176	7.6
239.12708	7.5
267.15875	18.0
281.13989	1.6
285.16919	63.3
289.42728	1.5
313.16409	91.8
362.77231	1.6
491.26306	2.7
505.27637	20.0
523.28925	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00270	0.6
53.03927	2.8
54.82107	0.7
55.01863	3.0
55.05503	12.2
57.03427	6.2
57.07064	22.8
59.04980	3.5
61.02911	10.0
69.03415	21.7
69.03761	1.3
69.07053	91.0
71.01334	0.8
71.04976	9.8
71.08611	16.5
73.02886	4.1
73.06535	17.1
81.03402	9.8
81.07029	1.2
83.08617	3.2
85.02889	91.9
85.10158	6.7
87.04473	1.0
89.06010	42.3
91.03912	4.4
92.09023	2.7
92.64944	0.6
95.04947	0.9
97.02868	28.7
99.04432	5.5
99.11749	0.7
105.03360	3.8
107.04976	0.9
107.08554	1.0
109.02861	9.4
109.10147	0.7
111.11700	100.0
119.08529	0.6
127.03889	13.9
129.12730	84.8
131.04744	0.5
135.00180	0.6
137.05945	0.8
139.92375	0.6
145.04930	17.2
145.10170	0.8
145.70807	0.7
147.04416	0.7
163.06004	5.3
177.05414	0.9
195.10141	0.8
199.16896	18.6
217.17947	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.7
53.03931	1.2
55.01858	2.8
55.05505	12.9
57.03423	6.9
57.07067	22.5
59.04993	4.3
61.02912	10.7
62.59930	0.6
65.13863	0.5
67.05479	2.1
69.03065	0.9
69.03413	17.0
69.07053	94.9
70.06581	0.5
71.04968	9.0
71.08611	16.8
73.02897	2.4
73.06536	18.3
79.05479	2.2
81.03402	7.6
81.07034	2.2
83.01307	0.7
83.08621	4.0
85.02889	88.6
85.06518	0.7
85.10167	6.5
87.04450	1.0
89.06011	41.4
91.03934	3.7
91.05457	1.1
92.08998	5.3
92.63257	0.6
93.07016	1.3
95.04948	2.1
95.08618	0.8
97.02872	23.2
97.06511	2.3
99.04420	4.4
99.11729	0.7
105.03390	4.7
105.07024	2.7
107.08580	2.6
109.02885	9.0
109.06494	1.1
109.10130	0.8
111.11701	100.0
113.06003	1.1
115.03844	0.6
119.04913	0.6
119.08521	0.6
121.10133	0.9
125.94583	0.6
127.03890	16.1
129.12732	86.3
131.08560	0.8
133.10107	2.5
145.04935	15.3
145.10103	0.8
147.04404	1.3
147.11699	0.8
163.03828	0.6
163.05974	4.9
199.16905	15.7
217.17955	33.2
325.11404	0.5
500.34506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01871	2.3
57.03420	0.5
57.30711	0.5
60.73710	0.5
61.02913	0.8
67.05473	0.7
69.03404	3.7
69.95336	0.6
71.04964	0.6
71.56728	0.6
73.01643	0.5
75.06441	0.5
79.05473	5.5
81.03416	0.8
81.07024	1.3
85.02886	6.7
91.05460	19.4
92.08900	2.4
93.07001	1.4
94.04148	1.2
95.04948	4.6
96.83531	0.6
97.02871	3.0
98.16730	0.5
102.68488	0.6
103.05450	17.1
105.03341	0.7
105.07018	12.6
107.04932	33.8
107.08590	1.2
109.06509	2.4
109.10139	0.8
114.54033	0.6
115.05441	3.9
117.07014	2.4
119.04905	20.8
119.08614	0.7
120.05688	1.1
121.06493	6.7
122.03588	4.1
122.07224	1.4
123.08054	1.4
127.03892	1.2
128.06190	0.9
129.06973	8.5
130.04156	1.2
131.04897	20.7
131.08553	3.2
133.02861	4.7
133.06445	8.4
133.10127	0.8
133.36119	0.6
135.08037	12.5
136.05200	1.3
137.05951	83.7
138.06277	0.8
143.04884	0.7
143.05960	0.7
145.06462	2.7
146.07230	3.4
147.04378	15.6
147.08055	1.2
148.05171	4.0
149.05957	13.1
150.06738	0.7
151.03864	0.8
151.07515	41.3
157.06435	5.5
159.08032	1.2
161.05940	100.0
161.09564	23.5
162.06732	7.9
162.30614	0.6
163.07498	48.4
165.05551	1.2
165.06982	2.4
165.09097	3.9
167.07158	0.7
167.08539	3.9
174.06706	5.1
175.07507	10.5
177.07004	0.6
177.09108	3.1
178.13037	0.6
179.06984	2.9
181.06458	0.8
181.08565	7.9
181.10170	1.0
182.07176	0.6
187.07559	1.0
189.09070	55.9
191.07005	2.9
193.06401	2.6
193.10155	2.6
194.07179	1.3
195.08055	7.6
195.09805	1.0
201.08987	0.9
203.08507	1.0
204.37225	0.6
207.10126	48.8
209.09608	0.9
210.06747	0.6
211.07597	0.9
212.08334	1.3
219.10124	5.0
221.06024	4.8
221.09573	5.5
223.07509	6.2
224.08127	0.7
225.09100	5.3
227.10612	11.5
237.09015	2.4
238.06311	0.7
240.07915	1.2
241.08562	1.0
249.09019	2.6
252.07626	0.9
253.08562	5.7
253.12128	6.9
255.10085	10.8
265.08578	2.7
267.10114	2.5
269.08057	1.3
272.10333	1.3
281.11780	3.0
284.10208	1.0
285.11136	10.5
287.12671	18.4
293.11697	1.2
297.11133	3.4
299.12704	3.2
311.12753	10.5
313.14270	19.2
325.14102	1.0
331.15335	55.2
343.15247	5.8
490.23688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80965	0.4
52.95768	0.4
53.03931	0.7
53.23143	0.4
55.01858	2.6
57.03422	1.3
61.02918	0.9
64.69868	0.6
67.05486	0.7
69.03413	3.0
71.04961	0.8
79.05471	5.2
81.03390	1.2
81.07029	1.4
85.02877	10.0
85.06541	1.0
88.52039	0.5
91.05460	23.0
92.08841	1.2
93.07018	3.1
94.04144	0.5
95.04936	4.1
95.08638	0.6
97.02878	3.3
99.04416	0.9
103.05446	16.9
105.03377	0.7
105.07005	14.7
107.04931	36.7
107.08569	2.4
109.02843	0.9
109.06504	3.2
109.10135	0.9
112.51640	0.6
115.05421	5.2
116.06207	0.7
117.06995	2.9
119.04916	21.4
119.08607	1.1
120.05709	0.9
121.05755	0.7
121.06479	7.1
121.10146	0.6
122.03622	4.7
122.07240	1.2
123.08039	0.9
127.03893	1.0
128.06120	0.8
129.06953	9.7
130.04143	1.3
131.04915	19.6
131.08534	3.1
132.05699	0.9
133.02815	4.6
133.06459	9.5
135.04361	1.0
135.08034	14.4
136.05188	0.6
137.05949	93.5
137.09558	2.7
138.06291	0.8
141.06985	0.8
143.06067	0.7
144.05661	1.0
145.04913	1.2
145.06464	3.1
146.03557	0.9
146.07249	2.2
147.04369	15.9
147.07999	2.7
148.05142	3.6
149.05952	12.3
150.06749	1.3
151.03912	2.0
151.07513	41.8
157.06424	7.6
159.08049	1.0
160.05183	0.7
161.05942	100.0
161.09573	24.2
162.06705	7.8
163.07500	53.2
165.05511	1.2
165.06944	1.3
165.09033	4.0
167.07143	1.5
167.08543	3.9
169.06490	0.8
174.06706	6.4
175.07494	14.9
177.05432	0.8
177.09102	4.0
178.07748	1.1
179.07011	4.4
179.08481	1.0
181.06523	0.6
181.07086	0.7
181.08563	7.5
181.10014	1.0
187.07475	0.8
189.09061	62.8
191.06993	2.4
193.06424	2.4
193.10080	2.5
194.07300	0.7
195.08022	9.7
195.09908	1.2
201.09117	1.0
203.06917	0.7
203.08528	0.8
205.10049	0.7
207.08276	2.0
207.10118	59.9
209.09569	1.2
210.06664	0.8
211.07497	0.7
212.08319	0.8
219.10135	4.9
221.05969	3.6
221.09442	4.1
223.07535	4.5
224.08400	0.9
225.05452	0.7
225.09079	3.3
227.10608	12.5
233.09570	1.0
237.09065	3.3
238.06209	0.9
238.09918	0.7
240.07736	0.9
241.12393	0.6
249.09023	1.0
250.09775	0.7
253.08540	5.9
253.12090	5.6
255.10104	13.6
265.08676	0.9
265.12323	0.7
267.10120	3.5
269.08075	1.2
270.08871	0.9
272.10352	0.9
281.11563	0.9
284.10419	1.2
285.11194	6.6
287.12704	20.9
293.11337	0.7
297.11124	3.0
298.11768	0.6
299.12622	4.1
301.14145	0.7
311.12714	10.1
313.10620	0.8
313.14246	23.8
313.17719	1.1
325.14261	2.2
331.15323	60.8
343.15448	5.9
366.08917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95073	0.4
53.03939	1.2
54.14095	0.4
55.01861	3.4
55.05506	0.6
57.03421	3.3
58.45250	0.5
61.02915	4.0
67.05490	1.0
69.03069	0.7
69.03412	11.9
69.07027	0.6
71.04971	2.2
72.79457	0.5
73.02897	1.0
77.03889	0.6
79.05467	5.6
81.03393	7.9
81.07040	3.2
83.08594	0.9
85.02886	27.8
89.03890	0.7
91.03923	0.9
91.05453	16.8
92.08671	0.8
92.09196	2.3
93.07001	2.6
95.04945	3.9
95.08597	2.5
97.02858	8.4
99.04412	2.8
103.03915	0.7
103.05435	15.9
105.03415	0.5
105.07007	20.9
107.04936	38.9
107.08598	0.7
109.02872	3.8
109.06506	2.3
109.10136	2.9
110.10443	0.6
111.04438	0.8
115.03928	0.7
115.05429	3.7
117.06979	2.5
119.04909	16.5
119.08507	0.7
121.06474	12.0
122.03606	4.1
123.08064	0.6
123.11659	2.0
127.03863	6.0
128.06190	0.7
129.06985	5.7
130.04112	1.4
131.04900	16.8
131.08557	2.5
132.05675	0.6
133.02820	16.9
133.03769	1.0
133.04958	0.7
133.06454	21.5
133.07390	1.1
133.10088	0.7
135.04399	3.1
135.08006	10.0
137.05949	100.0
143.04968	1.1
143.06046	0.6
144.05661	0.7
145.04941	3.2
145.06541	4.0
145.07530	1.1
146.07254	2.9
147.03195	0.8
147.04376	18.1
147.08031	1.2
148.05170	3.0
149.05963	19.6
149.09663	0.7
150.06766	3.3
151.03888	0.8
151.07512	28.0
157.06485	5.0
159.08081	0.7
160.05116	0.8
161.05939	83.1
161.09564	19.8
162.06732	6.1
163.07501	53.7
165.05447	4.2
165.06801	1.1
165.09082	5.6
167.06992	3.6
167.08501	2.5
169.06496	1.0
174.06738	4.1
175.07500	10.9
177.05405	5.0
177.09120	3.1
179.07005	16.6
179.08478	1.1
179.10532	1.1
181.08560	9.4
183.04443	0.8
187.07524	3.1
189.09067	43.5
191.07021	8.7
193.06557	1.1
193.08524	0.8
193.10078	0.7
194.07272	0.7
195.08041	3.7
195.09811	0.7
197.05975	1.3
197.07903	0.7
199.07556	1.0
199.16714	0.6
201.09090	1.2
203.06966	5.7
203.10551	0.9
205.08560	0.8
207.10118	52.2
210.06610	1.2
211.07483	0.6
212.08269	0.9
213.09154	0.6
215.07025	2.8
217.08557	0.7
219.10130	2.7
221.05939	2.0
221.09651	1.1
223.07518	1.1
224.08148	0.9
225.09013	2.1
225.11151	1.1
227.10594	6.4
229.08592	3.1
241.08389	0.8
245.08009	2.2
249.08998	1.1
249.11246	1.1
253.08488	3.5
253.12128	3.3
255.10046	4.8
257.08017	2.9
265.08609	2.3
267.10147	2.2
269.08008	0.7
273.11136	4.0
281.11868	0.7
284.10458	1.1
285.11157	5.4
287.12631	6.7
291.12198	8.5
297.11157	3.6
299.12671	1.3
309.13251	3.3
311.11191	1.2
313.14209	7.8
323.11252	1.2
331.15317	26.0
343.15344	8.1
457.18451	0.7
465.88654	0.5
484.41589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
54.81844	0.5
55.01862	4.2
55.05513	0.6
57.03415	2.8
61.02899	2.5
67.05499	1.1
69.03410	13.2
71.01334	0.6
71.04960	1.0
73.02889	2.0
75.27260	0.5
79.05476	6.0
81.03398	8.3
81.07016	1.8
83.04951	0.5
85.02888	21.8
91.05449	14.3
92.08681	1.9
92.09302	1.9
93.07011	2.3
93.85019	0.4
94.04180	0.9
95.04939	3.9
95.08573	0.7
97.02866	8.4
99.04449	1.9
103.03937	1.1
103.05441	14.5
105.03346	0.9
105.07008	19.2
107.04933	33.2
107.08570	0.7
107.43019	0.4
109.02852	3.8
109.03502	0.5
109.06508	2.0
109.10128	3.1
111.04426	1.7
115.03936	1.1
115.05399	3.8
117.05537	0.5
117.06967	2.4
118.34689	0.4
119.04918	14.6
119.05711	0.7
121.06473	10.9
122.03631	4.1
123.04443	0.7
123.08009	0.7
125.09625	0.5
127.03897	6.2
128.06148	0.8
129.06963	8.2
130.04117	2.0
130.07738	0.5
131.04884	16.8
131.08533	2.0
133.02834	18.2
133.06464	18.5
135.04402	2.8
135.08031	10.2
137.05949	100.0
137.09521	3.8
138.76241	0.4
141.06998	2.0
143.04909	0.7
144.05719	0.7
145.04930	1.9
145.06458	4.1
145.07510	1.1
146.07242	2.7
147.04387	17.5
147.08017	1.0
148.05145	3.1
149.05959	22.8
150.06760	5.2
151.03885	1.1
151.07509	29.6
157.06488	5.5
159.04364	0.9
159.08058	0.8
160.05186	0.8
161.05937	81.5
161.09569	20.8
162.06726	6.0
163.07501	57.2
163.14735	1.0
165.05434	4.2
165.06900	1.7
165.09084	8.2
167.06993	3.5
167.08522	3.1
169.06439	1.1
171.07965	1.0
174.06726	2.8
175.07506	10.2
176.04713	0.6
177.05473	4.3
177.09160	3.5
179.06998	15.6
179.08467	1.1
181.06609	0.7
181.06860	0.8
181.08566	9.0
181.10095	0.7
183.08029	0.5
183.10095	0.7
187.07491	2.9
188.04668	0.9
189.09062	47.5
191.07001	7.3
193.06520	0.8
193.08578	2.2
193.10124	0.7
195.08015	3.3
195.09702	0.6
197.05956	1.0
199.07553	0.7
199.16972	0.6
201.05360	0.6
201.09056	2.6
203.07007	4.0
203.08629	0.6
203.10677	0.6
205.08519	0.9
207.10124	47.1
209.09628	0.6
210.06624	0.7
211.07573	0.9
212.08322	0.7
213.08928	0.8
215.06972	1.9
217.08521	2.3
219.10120	3.0
221.05948	2.2
221.09682	0.9
223.07590	1.9
225.08997	2.6
225.11075	1.4
227.10623	5.5
229.08580	3.0
233.08015	1.9
237.09119	0.6
238.06181	0.6
239.10497	0.6
241.08409	1.7
245.07976	1.0
245.11668	0.8
249.11118	0.8
252.07791	0.9
253.08632	2.8
253.12170	2.6
253.75325	0.5
255.10097	4.2
257.08026	1.1
261.11243	0.7
263.09030	0.7
265.08542	1.9
267.10132	3.4
269.08124	0.5
269.11661	0.7
273.11118	4.8
275.09042	0.9
281.11554	0.6
285.11188	5.6
287.09818	0.5
287.12686	5.0
291.12262	7.2
297.11011	1.9
299.12729	2.6
305.10052	0.6
309.13278	2.1
311.11160	2.1
313.14240	8.2
323.11221	1.1
325.14307	2.0
331.15326	24.7
341.12277	0.6
343.15393	6.4
364.06201	0.5
377.53018	0.5
394.19095	0.5
397.88596	0.5
439.17853	0.5
457.18304	0.6
570.61444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
54.45480	2.5
55.01857	5.4
55.05504	33.9
55.17866	2.2
56.19945	2.6
57.03430	29.0
67.05488	53.5
69.03410	11.0
69.07061	19.3
69.97684	2.9
71.04973	4.8
75.63534	3.5
79.05047	3.8
79.05477	62.4
80.04993	3.3
81.03402	89.4
81.07043	62.4
83.04965	35.7
83.08601	31.5
85.02901	36.5
85.06522	11.4
91.05458	100.0
92.04973	3.1
93.07026	35.5
95.04939	45.6
95.08591	29.8
97.02866	5.4
97.06481	19.1
97.10149	3.5
99.08129	3.0
105.03393	19.3
105.07021	60.5
106.06566	5.3
107.04929	17.0
107.08569	20.4
109.06487	14.8
109.10144	5.1
111.08054	14.2
113.05959	5.3
115.05415	5.1
117.05773	4.3
117.06991	5.9
118.06511	48.7
119.08558	36.7
119.42012	2.8
121.10110	19.0
123.08074	5.5
123.11689	6.0
125.09666	4.2
129.06975	34.0
131.08548	33.7
132.08130	10.7
133.06502	5.8
133.10095	22.9
142.07779	4.9
143.07281	3.4
143.08551	3.4
145.10106	5.5
147.08049	3.7
147.11703	33.2
149.09618	12.9
156.08069	11.8
157.10110	33.5
158.09630	2.9
165.12796	5.2
167.08553	3.9
169.08768	5.2
174.12729	5.5
175.11203	23.1
184.11201	18.4
193.12218	49.8
193.43488	3.2
202.12257	18.8
211.13263	60.3
264.96097	2.8
267.15875	17.2
276.16010	37.6
285.16904	54.6
294.16995	16.0
312.18100	16.4
399.72922	3.0
432.30896	3.5
459.27478	6.6
468.27335	10.5
477.28580	4.9
486.28421	46.1
504.29257	16.7
522.30322	17.3
557.22473	4.2
557.30786	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	556.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17453	2.8
55.01865	15.7
55.05502	32.0
56.35162	3.1
57.03427	32.9
57.07067	66.6
59.04979	3.5
65.06181	3.5
67.05484	35.7
69.07052	21.3
70.06599	4.3
71.04974	5.8
71.08614	34.9
73.53293	3.4
79.05486	26.8
81.03393	6.4
81.07053	49.3
83.01336	17.9
83.04958	16.9
83.08617	26.8
85.10166	15.2
89.06026	27.0
91.05445	15.3
92.08862	18.6
92.18470	3.6
93.07029	32.9
95.04963	9.0
95.08591	48.2
105.07034	7.0
106.78720	4.0
107.04944	5.9
107.08579	22.7
109.06470	5.7
109.10142	14.9
110.50402	4.1
117.07004	7.6
119.08580	7.8
121.06512	5.4
121.10159	5.0
121.74738	3.9
123.08047	6.5
133.08600	5.4
135.11668	7.0
145.10124	19.3
163.11127	33.4
203.21689	3.7
250.54144	4.0
262.07880	3.9
283.15320	100.0
283.26297	15.4
310.96716	4.1
313.27335	97.7
371.22922	15.8
521.38055	52.3
527.60443	4.7
556.53180	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	556.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27637	6.2
54.56875	6.0
55.05511	70.5
57.03428	27.7
57.03694	5.2
57.07058	36.3
62.70642	5.2
67.05495	54.9
69.07053	79.8
70.06569	6.3
71.04987	6.4
71.08610	30.3
79.05471	36.0
81.03410	32.7
81.07040	69.4
82.41911	5.8
83.04971	15.9
83.08603	66.2
85.02891	14.8
85.06520	8.7
89.06026	36.5
91.05477	48.7
91.30877	5.7
92.09127	50.7
93.07034	46.5
95.04949	26.9
95.08578	42.6
97.06477	6.8
97.10153	34.1
103.14323	6.5
105.07036	40.5
107.08607	27.8
109.06497	8.6
109.10151	15.3
110.72751	6.3
117.07008	8.3
119.08562	16.4
121.10139	15.5
123.08088	7.8
131.08488	11.8
133.08592	14.7
133.10150	11.5
147.11674	13.1
157.10094	12.8
175.11166	13.5
193.12192	16.3
211.13214	14.1
225.04324	7.6
227.02075	8.4
283.26285	37.8
285.16876	30.9
300.28751	23.0
311.25705	53.3
371.22626	8.1
386.64325	6.7
503.37436	14.9
521.38373	100.0
556.52692	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	556.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.1
53.03917	0.8
54.82017	0.9
55.01863	3.7
55.05500	17.0
56.41535	0.7
57.03419	15.4
57.03663	1.2
57.07067	49.5
58.50729	0.7
67.05495	21.0
69.07056	17.3
70.47002	0.8
71.04972	1.7
71.08609	26.9
73.02904	0.9
79.05474	28.7
81.03415	1.5
81.07037	36.6
83.04970	4.0
83.08593	17.9
83.29062	0.7
85.10169	17.1
88.79874	0.9
89.06023	5.1
91.05428	7.0
92.08881	2.4
93.07022	40.8
95.04935	7.6
95.08583	65.5
97.02864	3.4
97.06499	3.6
97.10154	3.9
99.04430	5.9
103.05434	0.9
105.06999	8.6
107.04942	8.9
107.08571	32.6
109.06522	1.6
109.10132	11.2
111.04401	1.2
111.11739	0.9
117.07009	13.5
119.08558	13.0
121.06506	8.0
121.10108	14.0
123.11710	1.8
125.05962	3.7
130.07750	1.8
133.08571	1.1
133.10098	3.4
135.08041	2.0
135.11665	59.5
137.13242	1.2
139.07516	1.7
145.10106	36.6
145.11234	1.9
151.63924	0.9
153.12703	1.0
163.11142	71.8
181.12231	11.6
185.41864	0.8
189.11288	0.9
227.12740	66.8
236.19939	1.0
239.23598	1.3
257.24765	3.3
283.15347	62.6
310.78619	0.9
313.27301	100.0
521.38263	82.0
556.52820	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06812	6.2
53.22586	5.0
54.37632	4.4
55.01865	13.7
55.05501	40.4
57.03423	37.1
61.43910	5.4
67.05487	42.9
74.95927	6.0
79.05505	21.8
81.03414	11.9
81.07051	47.0
81.69801	6.3
83.01321	8.9
83.04961	30.2
83.08601	12.0
85.02882	25.7
91.05447	50.1
92.09118	47.2
93.07024	57.0
95.04953	12.0
95.08605	12.6
97.02885	8.4
97.06532	6.9
102.41828	5.1
103.05444	6.9
105.07008	38.4
107.04932	10.8
107.08583	30.9
109.02854	10.2
109.06506	14.3
109.10136	9.8
111.04391	5.4
111.08082	7.4
113.02312	46.2
117.07008	11.9
117.10095	6.2
117.78371	5.9
119.08541	26.8
121.06519	13.7
121.10109	14.4
123.08153	5.8
131.08533	8.7
133.10094	65.4
135.11725	12.8
145.10156	14.1
151.11116	14.0
154.99565	6.6
161.09592	29.2
163.11192	14.5
179.10641	25.8
207.10149	10.4
239.12836	6.5
239.91328	6.8
283.15387	100.0
291.96536	6.2
313.16507	69.7
346.50488	9.7
521.27362	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.9
53.03940	6.9
55.01871	1.5
55.05505	9.5
56.06111	1.0
57.03423	2.3
57.07053	1.7
59.04992	1.0
67.05491	8.8
69.03415	17.1
69.07054	10.3
70.03737	0.8
70.75777	0.7
71.04971	27.2
71.08595	0.9
73.06508	1.2
74.01115	0.9
75.35039	0.8
77.03885	0.9
79.05473	19.7
81.03390	17.1
81.07037	62.6
83.04965	5.2
83.08591	1.9
85.02893	8.8
85.06524	5.8
91.05455	18.2
91.58756	1.2
92.09010	1.3
93.07021	23.9
95.04949	18.5
95.08582	15.1
97.02887	7.4
97.06488	8.9
97.10126	4.4
99.04406	1.7
99.08066	14.5
105.03371	100.0
105.07007	60.7
106.03699	8.7
107.08575	25.4
109.02881	6.5
109.06485	9.2
109.10142	18.0
111.08071	3.9
117.06981	4.3
119.08554	21.9
121.10120	22.5
123.04424	7.8
123.08044	4.1
123.11688	6.4
125.09602	23.3
127.03889	4.6
127.07502	6.9
127.11172	15.1
129.06908	1.2
131.08556	11.5
133.10103	75.5
135.11671	6.6
135.40997	0.9
135.99530	0.9
137.05946	3.8
137.09595	2.0
139.11177	3.6
143.10648	23.0
145.10083	18.7
147.11691	16.9
149.05899	0.9
149.13269	3.4
151.11160	22.8
153.01831	1.8
155.10606	7.6
157.10086	1.3
159.11659	8.2
161.13214	5.1
163.03836	2.1
163.11157	1.7
165.12665	1.5
169.12196	3.9
173.13097	1.6
177.12669	1.4
189.05435	1.3
201.16380	10.1
219.17404	18.4
237.18413	27.7
249.07596	8.9
250.07970	1.0
259.09567	1.1
267.08643	8.6
289.07050	1.4
290.07336	1.7
352.42346	1.1
435.04114	1.3
508.62646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.9
53.03940	6.9
55.01871	1.5
55.05505	9.5
56.06111	1.0
57.03423	2.3
57.07053	1.7
59.04992	1.0
67.05491	8.8
69.03415	17.1
69.07054	10.3
70.03737	0.8
70.75777	0.7
71.04971	27.2
71.08595	0.9
73.06508	1.2
74.01115	0.9
75.35039	0.8
77.03885	0.9
79.05473	19.7
81.03390	17.1
81.07037	62.6
83.04965	5.2
83.08591	1.9
85.02893	8.8
85.06524	5.8
91.05455	18.2
91.58756	1.2
92.09010	1.3
93.07021	23.9
95.04949	18.5
95.08582	15.1
97.02887	7.4
97.06488	8.9
97.10126	4.4
99.04406	1.7
99.08066	14.5
105.03371	100.0
105.07007	60.7
106.03699	8.7
107.08575	25.4
109.02881	6.5
109.06485	9.2
109.10142	18.0
111.08071	3.9
117.06981	4.3
119.08554	21.9
121.10120	22.5
123.04424	7.8
123.08044	4.1
123.11688	6.4
125.09602	23.3
127.03889	4.6
127.07502	6.9
127.11172	15.1
129.06908	1.2
131.08556	11.5
133.10103	75.5
135.11671	6.6
135.40997	0.9
135.99530	0.9
137.05946	3.8
137.09595	2.0
139.11177	3.6
143.10648	23.0
145.10083	18.7
147.11691	16.9
149.05899	0.9
149.13269	3.4
151.11160	22.8
153.01831	1.8
155.10606	7.6
157.10086	1.3
159.11659	8.2
161.13214	5.1
163.03836	2.1
163.11157	1.7
165.12665	1.5
169.12196	3.9
173.13097	1.6
177.12669	1.4
189.05435	1.3
201.16380	10.1
219.17404	18.4
237.18413	27.7
249.07596	8.9
250.07970	1.0
259.09567	1.1
267.08643	8.6
289.07050	1.4
290.07336	1.7
352.42346	1.1
435.04114	1.3
508.62646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3654
Annotation	Muscanone
Peak:m/z	Relative Intensity
50.47316	1.0
55.05500	2.6
57.07058	2.1
61.92733	1.0
62.83059	1.2
67.05482	7.1
69.07047	2.9
78.53815	1.3
79.05462	6.4
81.07021	7.5
89.06017	1.4
91.05801	2.7
92.08986	6.2
93.07004	5.2
93.07575	1.2
95.04938	1.7
95.08583	6.4
102.51725	1.3
105.07032	1.3
107.08588	2.2
109.10149	1.8
119.08595	1.8
121.10110	1.7
123.11639	1.3
133.08621	1.9
135.11720	2.2
221.11465	3.0
225.04250	2.6
226.04564	2.0
277.14017	2.8
327.20337	1.4
388.18393	1.2
555.36432	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	556.239
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05465	0.6
84.08126	0.2
85.02890	0.5
91.05446	0.6
92.08620	0.2
92.09214	0.6
93.07031	1.2
95.04955	0.2
103.05460	4.4
103.06097	0.2
107.04955	2.0
110.07169	0.6
120.08089	100.0
121.06484	0.2
121.08447	0.5
124.07553	1.6
131.04907	2.8
142.08627	0.2
147.04448	0.2
149.05988	2.9
161.05898	0.1
166.08617	28.1
167.07024	2.9
179.07048	0.2
181.08601	1.3
211.09615	1.9
231.12363	0.3
303.10629	0.3
427.77972	0.1
525.56250	0.2
556.25134	0.5
558.57593	0.2
576.43799	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	555.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
51.92636	0.5
53.03932	3.8
55.01865	4.3
55.05501	4.9
57.03424	2.4
57.07041	0.5
65.03933	0.7
65.33990	0.6
67.05485	6.1
68.05798	0.6
68.09482	0.5
69.03413	6.4
69.07045	8.3
71.01330	7.0
71.04974	2.3
77.03912	0.8
79.05473	11.6
81.03404	3.9
81.07036	7.2
82.07362	0.7
83.04951	6.7
83.08588	1.2
85.02894	4.9
85.06524	8.3
86.06853	1.2
89.03900	1.1
91.05460	6.8
92.08584	0.7
92.09107	2.7
93.03381	1.0
93.07024	7.2
95.04941	18.1
95.08597	5.1
96.08923	1.0
97.02888	3.2
97.06507	22.5
97.07127	1.1
99.08079	1.2
105.03366	64.5
105.07008	6.4
106.03719	3.2
107.04943	2.7
107.08608	4.5
108.08916	0.7
109.02834	5.5
109.06499	1.1
109.10142	4.4
110.10493	0.7
111.04423	3.2
111.08044	0.9
115.05436	6.2
117.03372	3.5
117.07016	3.4
119.04967	2.1
119.08556	6.7
121.02839	0.8
121.06480	2.3
121.10123	2.8
122.10490	0.6
123.04403	9.2
123.11658	1.2
124.11991	0.7
125.09646	0.5
127.03883	2.7
128.06201	2.8
129.06981	3.3
131.04881	1.1
131.08563	5.2
133.06465	4.9
133.10127	2.6
135.04340	5.7
135.08011	0.9
137.05978	1.0
137.09625	0.7
139.03891	4.0
141.06972	10.2
142.07776	1.1
143.04916	3.0
143.08511	5.7
144.05626	0.9
145.02821	3.6
145.06509	0.7
145.10103	2.8
147.04390	6.8
147.08044	0.7
147.11671	2.5
152.06154	0.9
157.04964	0.7
157.06485	1.4
157.10132	2.6
159.08104	1.1
159.11658	0.8
160.05164	39.2
161.05939	100.0
161.09610	2.5
163.02490	1.4
163.03860	40.8
167.07013	6.2
167.08536	5.0
169.06445	7.0
171.07999	3.1
173.05954	8.2
173.13278	0.8
174.06769	1.2
175.03828	5.7
175.07535	3.2
177.05414	1.2
184.05177	2.3
185.05923	2.3
185.09581	3.4
187.07451	5.7
189.01761	0.9
189.05557	4.2
189.09059	98.5
195.08003	5.4
195.09814	0.6
197.05981	2.8
198.06767	1.0
199.07547	0.7
200.04613	1.5
202.06096	0.8
203.07025	0.9
203.10733	0.8
205.08533	0.9
207.02815	2.8
212.04689	0.7
213.09015	8.0
215.04881	1.5
215.06972	43.9
217.08568	22.5
219.32805	0.6
230.05991	0.6
231.10149	3.0
233.08087	0.8
241.08565	3.6
241.21709	1.1
249.07628	1.3
259.09583	82.4
261.07434	1.4
267.08563	3.6
277.10611	0.6
279.08691	8.1
393.22610	1.2
555.27521	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	555.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.7
53.03943	1.0
54.15791	0.8
54.64164	0.9
55.01858	4.3
55.05497	2.2
57.03432	3.5
57.07063	1.6
67.05488	5.9
69.03432	0.9
69.07051	19.7
69.52162	0.8
73.06882	0.9
79.05470	16.2
81.07037	1.8
89.03877	7.1
91.05447	1.6
92.09126	1.6
93.07010	1.4
95.04953	6.5
95.08578	1.2
97.06506	100.0
98.79726	0.9
105.03365	13.1
105.07008	1.6
105.89454	1.0
107.04927	1.1
107.08561	1.4
112.04041	1.0
114.07193	1.3
115.05456	1.3
117.03351	10.9
131.08545	1.3
133.02840	4.2
134.03625	1.5
135.04396	18.3
138.04861	0.9
145.02835	13.4
159.04378	10.3
159.11627	1.2
161.02304	37.4
163.03868	66.1
173.02299	62.3
186.03049	1.4
187.03914	0.9
197.06026	1.2
215.06992	72.4
241.08730	0.9
259.09589	93.2
261.07483	1.2
279.48700	0.9
281.26233	1.4
282.25790	6.2
439.53772	1.0
456.19785	1.1
555.52704	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30956	0.4
51.02364	0.4
53.03946	3.8
54.21805	0.3
55.01861	1.0
55.05497	2.4
57.03428	1.9
58.60721	0.3
64.10337	0.4
65.03886	0.4
67.01858	4.8
67.05485	3.1
68.99767	1.1
69.03405	6.5
69.07049	2.0
71.04997	1.8
77.03883	0.6
79.05470	5.8
81.03407	11.7
81.07040	5.5
83.04965	2.4
85.02898	6.6
85.06531	1.0
91.05452	5.4
93.07020	4.2
94.07326	0.6
95.04948	8.9
95.08587	2.7
97.02868	8.8
97.06515	3.8
99.04449	1.9
105.03375	65.5
105.04501	2.0
105.06999	4.8
106.03676	1.8
107.04934	2.0
107.08588	2.7
109.02840	5.1
109.06484	2.1
109.10152	1.8
111.04437	0.9
115.05473	0.9
117.03338	1.6
117.06979	0.7
119.04932	1.0
119.08560	3.1
121.02850	1.1
121.06499	0.5
121.10150	2.0
122.03618	2.3
123.04411	6.9
123.08067	0.6
123.11798	0.6
124.05174	0.5
125.02344	0.6
125.09602	0.8
127.03905	5.8
129.01860	0.7
129.07011	1.7
131.04887	1.0
131.08580	2.9
133.06480	0.8
133.10077	2.7
135.04381	2.9
137.05959	100.0
138.06299	19.2
138.07309	1.0
141.06956	2.1
142.07747	0.6
143.04886	0.7
143.08574	1.1
145.02844	3.1
145.04929	1.7
145.06511	0.7
145.10080	2.2
147.04390	3.1
147.11696	1.9
149.09549	1.7
151.03981	0.5
151.07588	1.5
153.01808	43.2
155.08516	0.5
157.10039	1.0
159.08072	0.7
159.11656	1.9
160.05199	0.6
161.06030	1.8
161.09599	0.7
163.03876	13.8
163.07552	2.4
167.07021	17.6
167.08426	1.4
168.07304	3.2
169.06468	2.8
171.02867	29.2
171.07925	0.5
171.11592	0.5
175.03874	0.9
177.05484	0.9
179.03389	1.9
181.08540	6.5
181.09935	0.6
182.08936	1.0
187.07565	1.9
189.09120	0.7
193.08623	0.9
195.02879	3.6
195.08055	0.5
197.05927	1.1
200.04713	1.8
201.05403	1.1
211.09575	1.1
213.09021	0.9
215.07016	3.7
217.15817	0.7
219.11812	0.5
235.16965	0.5
249.07515	9.7
259.09583	7.6
261.03696	0.5
267.08636	2.7
289.07007	28.9
331.08078	0.7
464.46179	0.5
474.84293	0.6
476.11258	0.5
555.31580	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30956	0.4
51.02364	0.4
53.03946	3.8
54.21805	0.3
55.01861	1.0
55.05497	2.4
57.03428	1.9
58.60721	0.3
64.10337	0.4
65.03886	0.4
67.01858	4.8
67.05485	3.1
68.99767	1.1
69.03405	6.5
69.07049	2.0
71.04997	1.8
77.03883	0.6
79.05470	5.8
81.03407	11.7
81.07040	5.5
83.04965	2.4
85.02898	6.6
85.06531	1.0
91.05452	5.4
93.07020	4.2
94.07326	0.6
95.04948	8.9
95.08587	2.7
97.02868	8.8
97.06515	3.8
99.04449	1.9
105.03375	65.5
105.04501	2.0
105.06999	4.8
106.03676	1.8
107.04934	2.0
107.08588	2.7
109.02840	5.1
109.06484	2.1
109.10152	1.8
111.04437	0.9
115.05473	0.9
117.03338	1.6
117.06979	0.7
119.04932	1.0
119.08560	3.1
121.02850	1.1
121.06499	0.5
121.10150	2.0
122.03618	2.3
123.04411	6.9
123.08067	0.6
123.11798	0.6
124.05174	0.5
125.02344	0.6
125.09602	0.8
127.03905	5.8
129.01860	0.7
129.07011	1.7
131.04887	1.0
131.08580	2.9
133.06480	0.8
133.10077	2.7
135.04381	2.9
137.05959	100.0
138.06299	19.2
138.07309	1.0
141.06956	2.1
142.07747	0.6
143.04886	0.7
143.08574	1.1
145.02844	3.1
145.04929	1.7
145.06511	0.7
145.10080	2.2
147.04390	3.1
147.11696	1.9
149.09549	1.7
151.03981	0.5
151.07588	1.5
153.01808	43.2
155.08516	0.5
157.10039	1.0
159.08072	0.7
159.11656	1.9
160.05199	0.6
161.06030	1.8
161.09599	0.7
163.03876	13.8
163.07552	2.4
167.07021	17.6
167.08426	1.4
168.07304	3.2
169.06468	2.8
171.02867	29.2
171.07925	0.5
171.11592	0.5
175.03874	0.9
177.05484	0.9
179.03389	1.9
181.08540	6.5
181.09935	0.6
182.08936	1.0
187.07565	1.9
189.09120	0.7
193.08623	0.9
195.02879	3.6
195.08055	0.5
197.05927	1.1
200.04713	1.8
201.05403	1.1
211.09575	1.1
213.09021	0.9
215.07016	3.7
217.15817	0.7
219.11812	0.5
235.16965	0.5
249.07515	9.7
259.09583	7.6
261.03696	0.5
267.08636	2.7
289.07007	28.9
331.08078	0.7
464.46179	0.5
474.84293	0.6
476.11258	0.5
555.31580	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37718	2.1
54.81704	2.2
57.07068	48.2
57.45565	2.1
64.56558	2.5
65.17175	2.6
67.05476	3.2
69.07034	4.5
71.08624	28.6
73.06531	4.4
74.09695	4.8
79.43711	2.4
83.03576	2.4
83.08669	2.3
85.10169	17.7
86.16859	2.5
89.06017	100.0
91.05783	3.9
92.09083	9.0
93.07053	3.2
96.41831	3.2
97.10114	4.9
133.08569	28.4
177.11227	6.2
189.66870	2.8
225.04179	3.4
246.91698	2.9
260.13538	3.0
327.20102	6.3
355.06952	6.1
537.43268	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	554.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.7
55.01866	2.5
55.05499	25.0
57.03423	5.7
57.07063	11.9
59.04982	3.4
61.02909	2.1
63.15894	1.4
67.05486	26.7
69.03412	27.9
69.07052	89.0
71.04972	8.3
71.08633	1.5
73.06555	1.5
76.12524	1.3
79.05474	17.0
81.03399	8.6
81.07035	88.4
83.04969	5.4
83.08607	18.2
85.02884	28.7
85.06551	10.0
87.04425	2.5
91.05454	12.3
93.06579	1.6
93.07018	52.8
95.04942	12.9
95.08582	80.1
97.02874	11.4
97.06508	13.8
97.10136	18.5
99.04418	2.3
99.08054	2.3
101.06034	1.4
103.03918	3.3
105.03374	55.8
105.06998	24.1
106.03696	14.0
107.08570	83.7
109.02851	5.9
109.06493	15.8
109.10135	96.6
111.04445	1.9
111.08048	12.0
111.11697	16.1
113.09627	2.3
115.00558	1.2
117.03348	2.0
117.07043	1.4
119.08546	26.0
121.06470	9.2
121.10123	33.8
123.04424	2.7
123.08025	5.5
123.11677	26.5
124.04757	2.1
125.05962	9.3
125.09617	6.8
127.03961	1.8
127.11169	1.8
129.05476	2.4
131.08508	10.0
133.10095	25.7
135.08012	20.9
135.11668	30.0
137.06006	1.3
137.09579	33.8
137.10553	1.9
137.13222	8.2
139.07451	2.0
139.11102	2.0
143.07016	8.3
143.08580	3.0
143.10651	2.4
145.02815	1.5
145.10066	10.0
147.06476	1.3
147.08046	6.0
147.11664	13.8
149.09630	15.2
149.13219	12.7
151.07599	1.4
151.11143	23.8
151.14774	2.0
153.09087	2.7
153.12704	23.3
159.08041	6.8
159.11670	8.8
160.92719	1.4
161.09544	10.1
161.13225	7.7
163.03841	12.1
163.07512	1.8
163.11165	3.3
163.14769	2.9
165.07706	2.3
165.09036	16.5
165.12794	2.4
167.10609	11.0
169.12241	2.4
169.40509	1.5
171.11681	1.6
171.13747	2.3
173.09627	2.8
173.13176	8.9
175.11119	5.8
175.14702	6.7
177.09039	9.5
177.16354	7.0
179.10657	14.4
187.14795	5.1
189.16347	1.6
191.10562	3.4
193.12167	2.5
193.15802	8.3
195.10115	6.0
195.17421	3.0
197.19020	1.9
201.16283	2.3
219.21065	3.2
235.16823	1.7
243.21027	6.1
249.07503	2.3
251.09132	2.0
257.22519	5.4
261.22055	6.1
275.23593	3.3
277.21439	3.4
279.23117	7.4
285.21906	5.4
295.26154	2.1
303.23151	30.4
321.24164	100.0
339.21225	3.0
339.25238	72.0
357.26282	48.0
375.27386	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
54.82143	1.6
55.01854	2.6
55.05501	16.8
57.03423	6.0
57.07062	9.6
59.04971	2.4
59.91983	1.4
61.02911	3.1
67.05496	25.7
69.03419	31.4
69.07055	82.7
71.04967	7.9
79.05480	20.5
81.03394	9.2
81.07041	78.3
83.04990	6.9
83.08625	18.4
85.02897	28.3
85.06528	7.4
87.04435	1.7
89.18107	1.5
91.03943	1.5
91.05450	9.5
92.08967	1.6
93.07026	40.9
95.04961	15.1
95.08009	3.0
95.08590	72.6
97.02866	6.4
97.06524	12.3
97.10154	14.7
99.04462	3.2
99.08108	2.0
104.77882	1.6
105.03378	53.4
105.07022	16.1
105.22984	1.5
106.03709	14.0
107.04920	2.4
107.08582	66.4
109.02841	5.9
109.06482	12.8
109.10143	82.4
111.08066	10.7
111.11716	13.8
119.08577	21.3
121.06471	6.4
121.10114	26.4
123.04404	3.0
123.08061	6.8
123.11678	25.2
125.05992	7.9
125.09621	3.2
127.03866	2.7
127.11139	2.5
128.04260	1.5
129.05408	1.7
131.08551	10.4
133.10114	22.5
135.04419	2.4
135.08061	16.6
135.11676	28.1
137.09604	30.7
137.13248	10.1
139.11249	4.1
143.06989	3.0
145.02798	2.9
145.04851	1.8
145.10091	10.1
147.04393	2.2
147.07964	3.4
147.11649	9.9
149.09583	15.0
149.13245	13.4
151.11179	19.2
153.09131	2.4
153.12708	20.7
157.10091	1.5
159.08066	2.6
159.11674	8.0
161.09576	10.4
161.13240	5.6
163.03874	6.5
163.07426	1.8
163.11113	3.6
163.14798	3.7
165.07736	2.0
165.09087	15.0
165.12686	1.6
167.10640	10.1
169.12320	2.0
171.13820	3.2
173.09557	2.8
173.13208	5.8
175.11145	2.4
175.14781	7.1
177.09045	9.6
177.12564	1.9
177.16344	7.8
179.10670	11.0
187.14745	3.1
189.16310	1.7
191.10686	5.4
193.12262	2.8
193.15848	8.0
195.10159	6.7
195.17419	6.5
201.16380	2.9
243.06474	2.3
243.20953	6.1
249.07529	2.5
251.09177	1.9
257.22543	2.4
261.22110	9.3
266.04724	1.5
275.23648	2.6
277.21759	1.8
279.23236	1.8
285.21979	7.5
287.05478	1.7
303.23145	29.2
320.22205	1.6
321.24210	100.0
339.21216	3.3
339.25226	67.0
357.22443	2.3
357.26355	40.6
480.08292	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68868	0.6
53.03929	2.7
55.01852	1.1
55.05504	39.5
57.03428	2.8
57.07062	4.8
59.11479	0.7
61.02914	0.9
67.05489	15.4
69.03418	12.3
69.07056	46.6
71.04977	4.8
71.08603	1.3
73.02888	0.6
79.05473	9.3
81.03403	4.2
81.07040	52.0
83.04967	4.1
83.08591	7.9
85.02891	19.4
85.06532	11.4
91.05457	5.8
92.09159	1.5
93.07024	28.4
95.04958	6.3
95.08585	47.4
95.09207	1.6
97.02868	7.2
97.06519	6.1
97.10147	100.0
98.59766	0.7
99.04420	3.7
99.08070	3.9
100.11262	0.8
101.06022	1.0
103.05516	0.7
105.03384	11.1
105.07018	12.8
107.08576	29.4
109.02853	3.5
109.06483	5.7
109.10136	27.5
111.04465	1.1
111.08064	3.8
111.11703	19.1
111.28981	0.8
119.08560	10.7
121.06512	1.4
121.10121	27.2
123.08059	3.2
123.11681	28.4
125.05965	0.8
125.09601	19.1
127.03896	4.1
131.04933	5.3
131.08534	4.5
131.74147	0.8
133.10114	7.8
135.08063	1.8
135.11658	17.1
137.05959	1.5
137.09612	12.5
137.13223	6.1
139.11160	10.6
141.09094	1.1
143.08568	1.6
143.10651	26.1
145.04996	4.0
145.10129	5.4
147.11671	9.8
149.09641	1.6
149.13258	5.5
151.07532	2.7
151.11156	1.3
151.14861	1.1
153.12758	4.5
155.10661	1.5
157.12250	5.0
159.11676	6.2
161.13194	5.4
163.03883	0.8
163.06067	0.8
163.11191	1.8
163.14894	1.4
165.09044	8.1
165.12750	3.6
169.12213	0.8
171.10173	1.3
171.11630	1.1
173.13246	3.1
175.11017	0.9
175.14775	3.6
177.05505	1.2
177.12833	1.7
177.16351	18.2
179.10649	1.0
179.14301	1.7
187.14793	1.8
189.11182	5.1
189.16348	1.0
195.17416	12.8
201.08989	0.8
201.16296	0.9
225.72316	0.9
243.06474	3.9
251.16373	1.1
261.92700	1.0
265.73886	0.7
275.23669	1.4
277.21609	1.2
285.22171	1.0
291.23065	1.8
295.22720	1.1
303.23059	12.0
309.24185	8.0
321.24167	44.5
322.24350	0.7
339.25223	37.2
357.26114	5.4
447.27222	1.1
465.28448	3.2
483.29486	1.7
548.22620	0.8
555.24341	1.1
561.00293	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.05501	14.3
57.03424	2.7
57.07063	4.0
61.02919	0.9
65.03929	0.7
67.05486	6.3
68.95054	0.7
69.03413	5.0
69.07055	22.1
71.03596	0.6
71.04976	1.0
79.05467	5.7
79.09316	0.6
81.03398	1.6
81.07033	17.8
83.08598	16.2
83.46437	0.6
85.02881	21.1
85.03365	1.1
91.03943	1.0
91.05463	4.8
93.07019	27.5
95.08583	45.5
97.02847	5.4
97.10134	5.9
99.04439	1.3
105.07010	8.5
106.07327	0.7
107.08575	67.8
108.19994	0.6
109.02869	1.7
109.06522	1.2
109.10136	15.3
111.04451	0.8
111.08074	0.8
119.08547	7.8
120.08924	2.8
121.10117	100.0
122.85933	0.6
123.08064	1.2
123.11677	3.7
125.09586	1.3
127.03876	3.3
131.08502	0.9
133.10124	3.2
135.11673	21.7
137.13235	29.2
139.11162	3.6
145.04955	5.6
149.13194	7.6
151.72801	0.6
163.06013	3.8
171.06454	1.4
175.14813	3.4
176.15157	2.8
177.16350	96.9
189.12668	1.1
195.17415	24.9
197.28682	0.7
219.13853	1.1
309.09940	0.7
473.32541	1.3
512.49927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.6
53.03936	1.3
55.01884	0.7
55.05507	13.1
57.03427	4.2
57.07065	4.2
61.02915	3.9
62.16924	0.5
64.32581	0.6
65.46814	0.6
67.05479	6.3
69.03416	9.7
69.07056	21.8
70.06597	0.8
71.04977	2.6
73.02901	1.3
79.05476	10.1
81.03409	4.4
81.07036	18.7
81.07469	0.9
83.04964	1.2
83.08594	12.8
85.02893	47.0
86.09669	0.7
91.03915	1.5
91.05470	4.7
92.08783	1.4
92.09260	0.8
93.07028	30.1
95.04945	3.2
95.08586	48.1
96.08945	0.7
97.02872	12.0
97.10160	7.0
99.04459	2.1
99.08070	1.1
103.05437	2.5
105.03372	1.3
105.07024	9.3
107.04974	0.9
107.08578	71.6
109.02876	4.3
109.06490	1.3
109.10147	14.9
111.08076	2.5
117.07043	1.3
119.08551	5.6
121.10122	100.0
123.08016	2.4
123.11684	4.1
124.03980	0.7
125.09613	4.4
127.03893	10.6
131.04916	7.3
131.08549	1.3
133.10097	3.8
134.10411	1.2
135.08041	2.6
135.11678	21.9
137.05954	0.7
137.09631	1.4
137.13234	30.1
137.14224	1.2
139.11168	3.2
145.04932	14.9
145.10118	2.8
146.05228	0.6
147.04398	1.2
147.11606	0.7
149.09604	1.0
149.13245	7.7
159.11697	1.3
163.06013	10.5
163.07402	1.9
167.10739	0.9
171.11642	6.1
173.13239	3.4
175.14769	1.4
177.05513	0.9
177.16354	67.9
189.12665	5.8
193.15842	0.8
195.13774	0.8
195.17409	14.7
201.12741	1.1
213.18535	2.6
219.13829	4.7
258.98126	0.6
325.11209	6.2
332.40717	0.8
360.41449	0.6
473.32584	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	554.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.3
53.03928	0.3
55.01867	1.9
55.05500	6.1
57.03175	0.3
57.03434	1.9
57.07060	1.3
61.02649	0.4
61.02914	3.3
61.80908	0.3
67.05497	3.2
69.03415	6.4
69.07055	13.3
70.06583	0.4
71.04965	3.1
71.08622	0.3
73.02911	0.7
74.67124	0.3
79.05473	4.8
81.03397	2.6
81.07041	14.1
83.08607	10.2
85.02890	25.7
85.06541	2.8
87.04457	0.6
91.03961	1.3
91.05455	2.5
92.09073	0.4
93.07021	15.0
94.74495	0.3
95.04942	1.3
95.08587	32.2
97.02868	6.5
97.06508	0.4
97.10153	5.3
99.04436	1.8
99.08072	13.4
105.07021	4.0
107.08577	38.0
107.23906	0.3
109.02855	3.4
109.06540	0.7
109.10144	9.6
111.04408	0.5
111.08057	6.4
111.11736	0.5
113.09624	1.9
115.03954	0.3
119.08542	2.4
121.10123	62.8
123.08035	0.7
123.11713	2.2
125.05951	0.3
125.09606	4.5
127.03902	5.1
133.10107	1.8
135.11671	13.7
137.05908	0.4
137.09610	0.6
137.13226	7.5
139.11185	1.4
145.04947	4.9
147.04379	0.5
147.11705	0.5
147.90390	0.3
149.13231	4.1
153.12782	0.4
160.52666	0.3
163.05969	2.4
164.83398	0.3
171.06505	0.4
175.14793	0.5
176.15207	0.3
177.16353	100.0
178.16681	0.5
189.75119	0.3
195.13780	0.5
195.17418	17.7
213.18456	34.3
225.14789	0.5
241.25520	0.3
303.19501	0.4
313.11810	0.4
314.11926	0.6
325.11221	1.6
327.08502	0.3
374.14020	1.3
375.23590	1.8
393.13672	0.6
511.86255	0.3
572.48187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82928	0.7
53.03941	1.9
55.01870	1.4
55.05507	12.5
57.02341	0.8
57.03422	5.0
57.07065	14.6
61.02913	5.8
67.05494	5.6
69.03415	14.0
69.07055	100.0
71.04983	4.0
73.02914	1.2
79.05482	9.9
81.03384	8.2
81.07037	23.9
83.04963	4.7
83.08585	8.8
85.02894	43.5
85.06528	5.9
87.40919	0.9
91.03935	1.3
91.05446	8.2
92.09237	3.3
93.07021	20.0
95.04961	4.9
95.08584	22.9
97.02871	13.9
97.06497	11.5
97.10157	16.6
99.04416	3.8
99.08083	1.4
99.11724	4.2
105.03382	9.4
105.07006	14.4
106.02893	1.6
107.04927	3.1
107.08585	20.1
109.02856	5.9
109.06516	5.6
109.10169	8.3
111.08077	7.9
111.11703	36.4
117.07013	4.3
119.04926	1.5
119.08568	13.1
121.06516	1.5
121.10123	27.9
123.08057	1.6
123.11671	5.2
124.03918	12.2
124.07511	1.1
125.05983	1.4
125.09589	12.0
127.03876	9.6
129.06935	1.3
131.04944	4.1
131.08531	14.2
133.06494	1.1
133.10112	12.7
135.08070	3.6
135.11665	21.3
137.05969	10.0
137.09604	1.8
137.13231	9.4
139.11160	33.0
143.08554	3.6
145.04950	6.6
145.10132	7.1
147.04387	4.6
147.11676	3.8
149.09625	1.3
149.13271	2.1
151.11179	1.2
151.14856	0.9
153.05489	4.8
155.08603	1.2
155.14256	1.3
157.10091	2.1
159.08018	1.6
159.11696	8.5
161.09573	5.0
161.13249	5.5
163.06090	1.6
163.11165	1.2
163.14783	1.7
171.11656	13.9
173.05966	5.9
173.13210	13.7
175.07524	7.1
175.14809	5.5
177.05457	1.6
177.12703	4.2
177.16331	23.2
183.11707	2.0
185.13213	3.5
187.07556	4.0
187.14861	1.9
189.09079	1.4
189.12721	26.5
191.06967	8.0
191.14310	12.5
195.11922	0.9
195.13802	5.2
195.17407	36.5
197.13338	1.5
201.12753	9.2
203.07039	3.4
203.14317	3.6
213.15120	8.3
213.18452	65.9
214.18764	1.5
217.12210	1.1
219.13765	36.0
220.98947	1.5
251.09192	1.8
288.10690	3.8
321.24231	1.2
339.25281	0.9
455.31488	3.6
461.02234	0.9
473.32547	45.5
491.33362	5.3
519.33038	1.3
537.33936	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70340	0.2
51.02369	0.2
53.03941	3.1
55.01855	1.1
55.05503	3.8
56.37616	0.2
57.03426	1.7
57.07060	0.3
59.04982	0.3
61.02905	0.9
67.05489	3.5
69.03065	0.4
69.03418	8.9
69.07054	1.9
71.04967	1.6
73.02898	1.1
74.21989	0.2
75.04439	0.3
77.03916	0.3
78.84600	0.2
79.05476	8.0
81.02930	0.4
81.03403	11.4
81.07045	5.4
82.81879	0.2
83.04978	2.7
83.08604	0.4
85.02892	15.0
85.06519	0.6
87.04447	0.4
89.05993	0.2
91.05463	10.7
93.07021	5.1
95.04950	6.3
95.08588	3.8
95.93509	0.2
97.02863	8.3
97.06494	1.2
99.04431	2.4
103.05447	1.0
105.03375	100.0
105.07006	5.8
106.03680	0.5
107.04933	4.5
107.08566	4.2
109.02865	7.6
109.06512	1.2
109.10143	4.9
111.04404	0.3
111.08094	0.3
113.06003	0.9
115.05454	0.3
117.06989	1.2
119.04953	0.3
119.08565	4.1
121.02864	0.3
121.04294	0.2
121.06500	0.4
121.10132	1.9
123.03520	0.6
123.04404	12.7
123.08064	0.5
123.11721	0.4
125.09603	0.3
127.03886	5.7
128.06204	0.9
129.07027	1.4
131.04897	0.5
131.07022	1.5
131.08563	2.4
133.10092	4.0
135.08060	2.3
135.11650	1.9
136.11964	0.2
137.05952	1.0
137.09583	1.3
137.13225	0.4
142.07739	0.3
143.08554	1.2
145.02713	0.3
145.04921	2.0
145.10086	1.8
147.04420	1.6
147.08067	0.4
147.11649	2.0
149.05960	0.3
149.08116	1.2
149.09581	1.5
149.13261	0.3
151.03860	0.3
151.07474	0.4
151.11095	0.3
156.09412	0.2
157.10114	1.9
159.08072	0.3
159.11636	2.6
161.09621	0.5
161.13251	0.3
163.03918	0.3
163.07503	2.5
163.11113	0.4
165.05528	0.4
165.06873	0.2
165.09042	0.3
167.07004	3.8
167.08447	0.3
169.10092	0.3
171.08044	0.3
171.11649	0.5
173.13240	0.9
175.14818	0.3
177.05392	0.5
177.12793	0.3
181.08659	0.9
189.12720	0.4
195.10143	7.9
195.11717	1.0
199.14745	1.4
203.10551	0.3
217.15894	1.4
221.11501	0.3
221.61543	0.3
231.06590	1.6
235.16954	0.3
249.07523	14.3
267.08588	21.0
271.11694	0.5
357.13223	0.3
391.20801	0.4
503.28513	0.3
554.25537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.3
53.03936	2.6
54.82240	0.2
55.01854	1.1
55.05507	1.9
57.03423	2.0
57.07060	0.3
59.04990	0.3
60.62522	0.3
61.02905	1.3
67.05482	1.6
69.03067	0.5
69.03414	9.9
69.07050	3.3
69.71882	0.2
71.04974	2.8
73.02880	0.5
79.05473	5.5
81.03392	6.3
81.07034	6.0
83.04956	1.1
83.08612	0.4
85.02891	10.4
85.06522	1.0
87.04426	0.4
91.05459	18.9
92.05814	0.4
93.07022	3.1
95.04949	5.2
95.08580	4.3
97.02870	19.1
97.06490	1.0
97.10130	2.7
98.03183	0.3
99.04428	2.8
101.02387	0.4
105.03371	100.0
105.06973	2.2
106.03704	1.6
107.08574	3.3
109.02852	2.7
109.06520	0.6
109.10139	3.9
111.04419	0.5
111.08050	0.5
111.11715	0.4
113.09653	0.4
115.03918	0.3
117.06998	0.5
119.08559	2.3
121.02831	0.3
121.06474	0.3
121.10126	3.3
123.04403	6.3
123.11688	2.8
125.09602	0.4
127.03896	6.0
129.05499	0.5
129.06992	0.3
131.08527	1.1
133.10094	1.5
134.06514	0.3
135.08028	0.3
135.11655	1.6
137.05960	0.6
137.09587	2.4
137.13248	0.4
139.11171	1.3
143.08543	0.3
145.04935	2.7
145.06592	0.3
145.10101	0.5
147.04358	0.4
147.08020	0.4
147.11639	1.8
149.13268	0.5
150.35905	0.3
151.11151	0.4
159.11659	0.6
161.13255	0.4
163.11186	0.5
165.09061	2.0
165.12773	0.5
167.06995	0.3
175.14761	0.3
177.05501	0.3
177.16324	0.3
187.14833	0.3
195.17416	0.6
217.08614	0.4
231.06500	0.5
249.07516	4.2
267.08575	26.6
303.23074	1.6
321.24274	2.7
336.77609	0.3
339.25250	3.1
347.77481	0.3
357.26028	0.4
413.32809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.1
51.02370	0.2
51.19315	0.1
53.03938	2.5
53.80361	0.1
55.01859	0.5
55.05492	0.4
57.03424	0.9
60.82278	0.1
61.02911	0.6
66.54383	0.1
67.05487	0.6
69.03413	7.8
69.07047	0.4
71.01323	0.1
71.04959	1.1
73.02899	0.2
75.04465	0.1
77.03916	0.6
79.04996	0.1
79.05472	6.2
81.03397	13.5
81.07040	1.3
83.04995	0.3
85.02886	10.2
85.06509	0.2
91.05455	2.7
92.08637	0.2
92.09240	0.4
93.07037	1.3
95.04316	0.2
95.04945	5.1
95.08559	0.8
97.02866	7.8
97.06488	0.2
97.10143	0.1
99.04428	2.4
101.02390	0.1
105.03370	100.0
105.06976	1.3
106.03709	0.4
107.04940	0.1
107.08590	1.2
109.02858	9.2
109.06507	0.2
109.10141	0.7
115.05345	0.1
117.06999	0.1
119.08569	0.6
121.02872	0.5
121.10132	0.6
123.04401	12.1
123.08052	0.1
123.11641	0.2
125.09662	0.1
127.03883	5.9
129.06996	0.1
131.08516	1.1
133.10129	0.5
135.08028	0.2
135.11661	0.8
137.06012	0.2
137.09595	0.4
138.63844	0.1
139.11113	0.1
141.05421	0.1
143.10568	0.1
145.04955	1.5
145.10098	0.5
147.04396	0.5
147.11752	0.2
148.04729	0.1
149.09628	0.2
149.13272	0.1
151.19554	0.1
157.10118	0.1
159.11673	0.4
163.11107	0.2
165.05453	0.1
165.09138	0.2
173.13266	0.1
177.05473	0.2
177.16374	0.1
178.91211	0.1
199.14832	0.2
213.18350	0.1
217.15897	0.1
231.06467	0.8
249.07521	20.8
255.30200	0.1
258.27179	0.1
260.12726	0.2
267.08563	22.0
273.76343	0.1
321.23987	0.2
339.25204	0.4
416.43893	0.1
438.46378	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	554.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.1
51.02367	0.2
53.03938	2.5
55.01864	0.3
57.03418	0.9
61.02897	0.3
65.03877	0.1
67.05511	0.1
69.03412	7.2
69.07042	0.1
71.04975	0.6
73.02874	0.3
75.60946	0.1
77.03899	0.6
79.05472	4.9
81.03394	14.6
81.07038	0.1
85.02885	8.5
87.04480	0.1
91.05455	5.0
92.08959	0.4
92.50368	0.1
93.07005	0.1
95.04942	5.2
95.08567	0.2
97.02865	8.8
98.06005	0.1
99.04424	2.2
101.02369	0.1
103.03961	0.1
105.03368	100.0
106.03706	0.4
107.08566	0.3
108.04463	0.3
109.02856	9.0
109.10118	0.2
115.03873	0.1
121.10103	0.1
123.04401	9.7
127.03888	6.1
127.04631	0.1
129.07005	0.1
135.11604	0.1
137.09583	0.1
142.02605	0.1
145.04935	1.4
165.05469	0.1
192.89043	0.1
195.06496	0.1
199.97310	0.1
207.06464	0.1
231.06413	1.0
249.07512	21.4
267.08563	21.2
282.31290	0.1
303.23013	0.1
321.24115	0.2
329.40482	0.1
339.25345	0.2
347.77548	0.1
355.45007	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	554.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
53.03937	2.9
55.01849	1.0
55.05510	2.6
57.03423	2.6
57.07066	0.4
59.04977	0.4
61.02910	1.4
65.03924	0.3
67.05496	2.6
69.03418	12.2
69.07050	3.8
71.01318	0.4
71.04976	2.5
73.02914	0.4
77.03893	0.4
79.05479	6.5
80.05840	0.3
81.03403	5.2
81.07037	6.3
82.07362	0.4
83.01315	0.4
83.04965	1.5
83.08617	1.1
85.02889	11.4
85.06538	1.6
87.04465	0.5
91.05464	21.6
92.05800	0.4
92.08826	0.5
92.64520	0.3
93.07034	5.0
95.04945	6.7
95.08595	5.3
97.02875	17.9
97.06496	1.0
97.10134	1.9
99.04437	2.9
103.03932	0.3
105.03377	100.0
105.07008	3.1
106.03711	1.5
107.04942	0.3
107.08591	3.4
108.08917	0.4
109.02870	3.2
109.06487	1.1
109.10142	5.2
111.04433	0.4
111.08080	0.5
111.11716	0.5
115.03931	0.4
117.06977	1.1
119.08563	2.5
121.06412	0.5
121.10151	3.9
122.37147	0.3
123.04417	7.4
123.07954	0.4
123.11700	3.5
125.09631	0.9
127.03886	6.7
129.05447	0.4
131.08539	0.4
133.06517	0.3
133.10095	2.2
135.08081	0.4
135.11691	2.3
137.05978	0.6
137.09593	4.2
137.13278	0.5
139.07552	0.3
139.11221	2.0
143.08546	0.5
145.02803	0.3
145.04976	3.9
145.10117	1.2
147.04390	0.5
147.08017	0.3
147.11679	1.7
149.09654	0.4
149.13219	0.6
151.07611	0.3
151.11201	0.4
153.12726	0.3
157.10149	0.4
159.11732	0.6
161.05922	0.4
161.13193	0.3
163.03947	0.6
163.11172	0.3
163.14877	0.3
165.09076	4.4
167.06940	0.3
173.13167	0.4
175.11246	0.3
175.14790	0.6
177.05402	0.4
177.16342	0.6
187.14786	0.3
195.17450	1.0
211.74364	0.3
213.18518	0.6
231.06470	0.5
249.07529	4.7
257.22763	0.3
267.08575	29.1
269.10159	0.3
303.23172	2.1
321.24097	2.2
339.25238	3.7
345.97141	0.3
357.26254	1.3
465.28406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97167	0.5
53.03923	0.8
55.05498	3.1
57.03432	1.0
57.07070	0.7
60.78337	0.5
62.38438	0.6
67.05474	4.4
69.03397	3.8
69.07050	7.3
70.06587	0.5
70.07394	0.6
71.04990	0.9
73.02885	1.0
74.66458	0.5
79.05464	3.0
81.03415	0.6
81.07039	12.3
83.04962	1.2
83.08589	2.6
85.02885	4.9
91.05455	7.9
92.05836	0.8
92.08666	1.0
92.09254	1.4
93.07023	9.5
95.04944	2.5
95.08585	10.0
96.08916	0.6
97.02880	2.5
97.06497	0.9
98.97556	0.9
99.00786	0.8
99.04435	1.0
105.03394	7.1
105.07013	22.2
106.03706	0.8
106.07327	0.9
107.04933	1.0
107.08582	13.8
109.06493	5.3
109.10139	6.7
110.10461	0.8
111.08086	1.0
115.05425	0.7
117.06997	3.1
119.08553	35.3
120.08868	8.0
121.06465	4.0
121.10123	7.6
123.04388	0.8
123.08046	2.5
123.11720	1.1
128.06155	0.8
129.06973	2.9
130.60464	0.6
131.08546	16.4
133.06442	0.9
133.10109	27.7
134.10437	7.6
135.08052	4.4
135.11673	3.0
137.05902	0.7
137.09608	3.2
138.09918	0.8
141.06979	2.3
142.07761	1.3
143.08548	7.5
145.06516	0.7
145.10107	13.0
147.08003	3.8
147.11671	9.0
148.12016	1.0
149.09570	2.6
149.13245	2.2
151.07520	1.1
151.11105	0.7
155.08537	3.8
156.09317	3.2
157.10086	6.7
158.10822	0.9
159.08015	2.3
159.11650	9.5
161.09598	3.4
161.13226	7.0
163.07637	0.6
163.11101	0.7
163.14882	2.1
165.09052	1.1
167.07045	0.8
168.09375	0.8
169.10085	9.4
170.10921	0.7
171.11655	39.3
173.09628	1.3
173.13208	14.5
175.11171	3.3
175.14783	42.8
176.15128	24.4
181.08551	0.6
181.10075	0.8
183.11668	6.6
184.12114	0.5
185.13193	4.1
187.11122	3.5
187.14767	2.5
189.12704	41.9
191.14316	6.0
193.15868	5.3
194.16174	3.2
197.13184	4.1
199.11147	1.3
199.14738	3.2
201.12741	9.3
203.14305	3.9
209.13243	0.9
211.14812	0.7
213.12698	1.2
215.14259	2.9
217.12193	7.0
217.15825	3.3
219.13756	26.8
221.15340	0.8
227.14297	0.7
229.15894	1.0
245.15236	1.2
265.19394	0.6
313.11752	2.8
373.13712	4.5
382.08395	0.6
398.82669	0.6
405.27808	0.8
423.28772	1.4
435.28867	1.3
453.29828	3.0
459.30478	0.8
471.30826	6.7
489.32022	100.0
490.31784	0.7
507.33231	6.3
535.32648	5.2
553.33478	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.05487	2.4
57.03415	0.5
57.07045	0.7
65.72874	0.4
66.50859	0.4
67.05490	3.9
69.03391	2.5
69.07051	9.0
70.06245	0.5
70.06568	8.2
71.04950	2.1
73.04015	1.0
79.05460	2.1
81.03391	0.9
81.07042	6.2
82.07384	0.6
83.04952	1.7
83.08572	0.8
83.38459	0.5
84.08127	8.9
85.02878	4.1
85.03991	1.0
85.06510	1.9
85.08897	3.7
86.09683	25.7
91.05440	3.1
92.08830	2.5
93.07015	7.3
95.04911	3.3
95.08588	4.7
96.08112	6.2
97.02872	0.9
97.06492	4.4
97.10153	0.5
99.04453	0.5
103.05441	5.6
105.03394	3.4
105.07027	4.2
107.04943	1.0
107.08576	3.7
109.02876	0.8
109.06484	1.6
109.10113	6.5
110.10408	0.5
111.04415	0.4
111.08032	1.0
112.07570	6.5
112.11219	0.7
112.20591	0.4
113.10748	2.3
115.05419	0.6
117.07000	0.9
119.04919	2.7
119.07309	0.6
119.08538	2.9
120.08073	100.0
121.06477	0.5
121.10133	3.3
122.10459	0.7
123.04458	0.6
123.08050	0.6
123.11665	2.4
125.09616	0.6
127.03898	1.0
129.07034	0.5
130.06503	0.7
131.04868	0.6
131.08562	0.7
132.08069	0.6
133.06392	0.6
133.10110	2.4
135.08006	0.6
135.11681	2.5
136.07549	1.7
137.05954	4.0
138.12776	2.0
139.11217	0.5
141.10181	5.8
145.02821	0.9
145.06400	1.0
145.10046	0.5
147.04362	3.7
147.11621	0.7
148.07509	0.6
148.97264	0.5
149.09521	0.7
149.13231	0.7
151.03815	0.7
151.11098	0.5
152.14294	6.1
153.15112	2.4
154.15916	2.7
157.10094	0.8
159.08049	0.6
159.11647	0.8
160.07509	5.0
161.09604	1.1
163.11111	0.4
165.05508	0.9
167.06985	0.7
167.14264	0.5
171.04359	1.1
173.09605	0.9
175.14810	0.8
177.05513	1.0
177.09077	2.7
180.13768	0.9
185.09608	1.1
188.14325	2.5
189.05443	2.4
189.09052	15.8
189.50139	0.5
190.12251	0.6
193.15826	0.7
197.16458	4.5
202.12227	20.0
202.14069	0.9
206.08176	1.1
211.16953	2.0
213.09113	2.2
219.14803	0.7
220.13272	2.2
225.16005	1.9
229.17937	2.8
231.10097	14.4
231.12181	0.7
233.16487	1.9
248.12759	20.5
251.12878	0.6
261.16092	1.1
265.15378	16.8
265.18015	0.8
287.05151	0.5
319.22699	0.7
320.23004	0.7
329.15002	3.0
332.23502	0.7
333.21808	0.8
337.23727	0.9
338.23700	0.6
372.22885	0.8
378.23846	5.8
395.19547	16.0
406.23294	3.3
412.22266	4.2
414.66345	0.5
452.83804	0.5
508.28214	2.3
525.30548	7.5
525.37726	0.5
553.30261	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54362	0.4
55.05505	0.8
59.37100	0.5
62.91922	0.4
67.05505	0.8
69.07078	0.5
71.05002	0.5
74.95048	0.5
77.54597	0.6
79.05503	0.7
81.07045	1.0
83.01099	0.8
85.02908	0.6
89.44954	0.5
91.05450	0.6
93.07041	2.3
95.04973	1.1
95.08631	0.7
96.10727	0.4
107.08611	0.6
110.84475	0.6
119.08558	0.8
123.08209	0.5
128.53745	0.5
153.58322	0.5
157.04814	0.5
162.21501	0.6
166.22098	0.6
184.03574	0.7
185.04259	1.0
201.03738	0.8
203.05266	2.8
259.07913	3.0
331.09985	2.8
373.14584	0.9
391.24670	0.7
415.19431	1.3
483.22028	2.7
535.28735	0.9
553.29773	100.0
554.30188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2981
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
51.26936	0.4
52.93013	0.5
55.05495	0.5
59.36619	0.5
67.05498	1.0
69.85598	0.5
77.14273	0.6
78.52116	0.5
79.05474	0.9
81.07040	1.3
91.05466	1.1
92.08669	1.0
92.09259	1.6
93.07050	0.6
95.01052	0.6
95.04977	0.7
95.08575	1.0
105.07022	0.9
107.08566	1.0
116.24406	0.6
119.08640	0.8
131.08501	0.6
133.10153	0.8
135.11656	0.9
143.08505	0.7
145.10152	1.0
159.11690	0.7
184.07300	0.6
185.04207	2.6
201.03728	1.0
203.05203	1.1
249.55893	0.6
259.07858	3.8
326.62970	0.7
331.10010	3.3
359.13306	0.7
373.15005	0.8
391.24457	0.8
401.18188	0.7
415.19431	1.1
483.21695	2.8
553.29755	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	553.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.5
53.60650	1.0
55.01856	5.7
55.05502	24.4
57.03433	9.3
57.03670	1.3
57.07063	4.9
59.04985	6.0
61.02919	9.6
65.03929	1.2
65.47729	1.1
67.05486	15.2
69.03414	27.7
69.06780	1.2
69.07059	18.4
71.04964	9.2
73.02881	5.0
79.05485	9.9
81.03395	15.6
81.07037	28.6
82.07388	1.6
83.04961	30.4
83.08604	19.6
84.46305	1.2
85.02886	77.7
85.06517	21.5
85.81244	1.0
86.03214	1.4
86.69283	1.2
87.04445	4.3
89.03918	2.2
91.03934	1.6
91.05460	10.5
92.09068	4.1
92.63703	1.1
93.07025	26.3
94.07368	2.0
95.04942	10.5
95.08585	27.1
96.08919	1.5
97.02875	19.5
97.06514	7.5
97.10134	7.3
98.90283	1.0
99.04425	7.2
99.08066	16.5
100.08418	2.0
101.05979	4.9
103.05401	1.7
105.03387	13.8
105.07030	15.1
107.04976	1.4
107.08575	25.4
108.08920	1.7
109.02872	11.8
109.06499	8.2
109.10139	54.3
110.10494	1.8
111.04408	1.3
111.08057	7.5
113.05972	2.5
115.05501	1.5
117.03362	17.3
117.07014	1.3
118.03687	6.3
119.04951	1.4
119.08566	15.3
120.08849	2.6
121.06462	1.7
121.10106	18.2
122.10493	1.9
123.04423	1.5
123.08022	6.2
123.11674	27.7
124.11985	1.2
125.05980	1.7
125.09627	11.3
127.03892	13.0
127.11176	16.2
129.06941	1.5
131.04846	1.6
131.08546	2.8
133.10115	21.2
134.10425	8.9
135.04420	1.2
135.08020	2.4
135.11667	24.5
135.61084	1.0
137.05968	10.6
137.09598	7.4
139.11182	1.6
143.04785	1.3
143.08521	1.9
145.02821	47.1
145.04944	10.1
145.10098	7.7
146.03154	23.9
147.04419	1.5
147.11700	8.7
148.12013	1.7
149.05927	7.1
149.13225	10.0
150.06261	1.4
151.03862	7.9
151.11130	5.6
151.14818	1.9
152.04243	1.2
153.12724	5.7
157.10120	2.3
159.11653	2.5
161.13232	2.1
163.03848	1.7
163.06068	1.5
163.07512	1.4
163.11205	1.3
165.12677	1.4
167.06993	2.8
167.14275	19.0
169.12193	27.9
173.13303	2.2
175.14798	18.3
176.15103	2.2
177.05435	74.2
178.05782	29.4
185.15327	5.9
193.15860	31.8
194.16194	6.7
195.17456	1.2
197.08041	4.9
203.14334	1.3
205.27907	1.2
211.14883	2.4
211.16890	55.9
212.17255	2.5
229.17940	100.0
285.11154	1.4
319.22568	2.6
320.22894	2.5
337.23688	2.2
338.23950	1.4
339.10629	2.6
340.10959	2.0
355.24826	1.7
391.21170	1.8
553.25964	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45965	0.9
53.03936	3.6
55.01859	3.8
55.05502	19.3
57.03433	7.4
57.07072	2.2
58.95515	0.8
59.04992	5.7
61.02919	6.5
67.05497	12.8
69.03065	1.4
69.03417	25.0
69.07045	15.7
71.04975	11.0
73.02917	3.9
79.05485	7.2
81.03396	14.1
81.07043	21.5
83.04966	26.8
83.08607	17.9
85.02891	58.5
85.06528	19.2
86.03208	1.4
87.04451	4.7
89.03897	1.3
91.03954	1.2
91.05473	4.5
93.07030	20.7
94.07375	2.1
95.04955	8.3
95.08585	19.7
96.08903	1.7
97.02869	16.9
97.06519	4.0
97.10163	4.1
99.04441	5.5
99.08069	14.5
101.06010	5.4
103.03941	1.1
103.05452	1.3
105.03375	12.5
105.07019	11.0
106.07339	1.8
107.04946	2.2
107.08583	25.1
109.02866	8.3
109.06527	5.3
109.10138	48.3
109.10852	1.9
111.08064	5.1
112.22884	1.0
113.05972	2.1
117.03366	12.6
117.06983	1.3
118.03702	4.7
119.08567	11.8
120.08897	1.1
121.06547	2.2
121.10124	12.4
122.10443	2.3
123.04424	1.5
123.08043	4.4
123.11694	25.1
125.05963	1.6
125.09615	9.9
127.03898	13.2
127.11180	16.1
131.04900	1.8
131.08589	1.7
133.10109	21.9
133.44131	1.0
134.10492	3.9
135.04398	1.3
135.08020	1.8
135.11667	20.4
136.12018	1.1
137.05952	9.6
137.09610	5.1
139.07475	1.1
139.11165	1.7
143.08473	1.1
145.02829	44.7
145.04898	9.1
145.06454	0.8
145.10130	1.6
146.03174	17.9
147.04465	1.5
147.08174	0.9
147.11670	6.1
148.12025	1.3
149.05960	6.0
149.09645	1.8
149.13242	6.0
150.06313	1.9
151.03909	10.0
151.10043	1.0
151.11127	7.8
151.14839	1.1
152.04207	4.7
152.26665	1.0
153.12711	4.8
155.10635	2.2
159.11674	2.0
161.05936	1.1
161.13264	1.0
163.03873	1.3
163.06015	2.4
163.11171	1.4
164.90028	1.0
165.09064	1.1
165.12672	1.3
167.07014	3.8
167.14268	19.4
169.12202	21.3
171.13799	2.2
173.13278	1.7
175.11111	1.3
175.14799	12.5
176.11539	1.0
176.15137	2.2
177.05435	65.4
177.08907	1.3
178.05763	33.1
185.15346	5.7
193.15865	20.4
194.16249	5.4
197.08115	3.9
198.08647	1.1
209.15343	1.4
211.16901	56.2
212.17287	1.3
229.17952	100.0
247.72124	1.0
249.07759	1.0
251.12709	1.6
301.21564	1.1
308.00430	1.1
319.22391	1.2
320.23077	2.3
321.09583	1.9
337.23703	3.8
338.23981	2.3
339.10794	4.5
340.10953	5.4
391.20868	1.7
553.26514	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.00301	0.4
53.03763	0.2
53.03942	3.2
54.81979	0.3
55.01870	2.1
55.05264	0.4
55.05503	6.0
56.05842	0.3
57.03425	4.2
57.07056	0.6
59.04982	0.5
61.02912	3.3
67.05489	4.6
68.13008	0.2
69.03414	25.1
69.07055	5.9
70.07389	0.3
71.01312	0.2
71.04970	4.6
73.02900	2.0
77.03906	0.6
79.05462	7.1
80.05821	0.4
81.03395	10.5
81.06598	0.4
81.07039	9.4
82.07369	0.4
83.04962	10.0
83.08588	1.1
84.05252	0.2
85.02887	16.1
85.06518	1.5
87.04442	3.1
89.03924	0.3
91.03939	0.4
91.05455	3.3
92.08711	0.8
92.09310	0.8
93.07023	7.0
94.07347	0.6
95.04942	11.6
95.05515	0.5
95.08591	6.2
96.08907	0.5
97.02867	5.1
97.06525	1.5
97.10142	5.1
98.10469	0.4
99.04420	3.5
99.08039	0.5
100.11210	0.3
101.02324	0.3
101.05992	0.5
101.07493	0.3
103.03904	2.7
103.05425	0.3
105.03372	100.0
105.07001	4.1
106.03703	1.7
107.04951	1.1
107.08575	6.4
108.08926	0.6
109.02852	4.4
109.06502	1.6
109.10141	7.9
110.10480	0.6
111.04432	7.7
111.08035	0.6
111.11674	1.1
113.09634	0.3
117.03307	0.3
117.06997	0.5
119.04918	1.6
119.08546	4.4
120.08886	0.3
121.06467	1.1
121.10107	6.8
122.10467	1.7
123.04398	7.2
123.08025	1.1
123.11669	2.2
124.12051	0.3
125.09615	1.6
127.03893	3.3
127.07541	0.4
127.11125	0.5
129.05450	12.8
129.06926	0.4
131.08534	1.8
133.10098	4.4
133.50903	0.3
134.10432	0.4
135.04369	1.1
135.08069	0.6
135.11662	4.0
136.12009	0.4
137.05937	1.1
137.09576	3.7
137.13229	0.3
139.07463	0.3
139.11159	2.5
140.06999	0.3
143.08537	0.4
143.10645	0.4
145.02838	2.5
145.04964	1.4
145.10095	1.8
146.03183	0.3
147.04399	4.6
147.06476	3.2
147.11676	1.8
148.04724	1.2
149.09547	1.1
149.13277	1.7
150.10045	0.3
151.11160	1.5
153.12776	0.5
155.10706	0.5
157.10103	1.0
157.12314	0.3
159.11665	2.1
161.13164	0.5
163.03902	4.8
163.11169	1.5
164.11624	0.3
165.07581	7.0
165.09052	1.2
165.12685	0.3
167.03323	0.5
167.07005	1.5
171.11652	0.4
173.13249	1.1
175.14822	1.4
177.05447	2.5
179.10495	0.3
181.12160	0.5
181.15858	0.3
185.13274	0.6
187.11124	0.3
193.15891	1.5
194.16301	0.4
209.15364	0.6
211.16962	0.5
240.11432	0.3
249.07500	3.4
250.07814	0.3
251.09108	4.5
257.34344	0.3
267.08554	3.5
268.08844	0.3
269.10129	11.4
269.13083	0.4
273.22180	0.3
275.19827	0.3
287.05444	1.8
287.11346	3.4
293.21100	1.4
301.21481	1.7
302.21829	0.6
319.22778	2.2
319.26093	0.3
320.22934	1.3
325.23621	0.4
337.23605	2.9
337.27243	0.7
338.23969	1.7
338.27548	0.3
355.24658	0.6
356.25052	0.5
391.20856	1.0
519.18054	0.3
553.26117	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.00301	0.4
53.03763	0.2
53.03942	3.2
54.81979	0.3
55.01870	2.1
55.05264	0.4
55.05503	6.0
56.05842	0.3
57.03425	4.2
57.07056	0.6
59.04982	0.5
61.02912	3.3
67.05489	4.6
68.13008	0.2
69.03414	25.1
69.07055	5.9
70.07389	0.3
71.01312	0.2
71.04970	4.6
73.02900	2.0
77.03906	0.6
79.05462	7.1
80.05821	0.4
81.03395	10.5
81.06598	0.4
81.07039	9.4
82.07369	0.4
83.04962	10.0
83.08588	1.1
84.05252	0.2
85.02887	16.1
85.06518	1.5
87.04442	3.1
89.03924	0.3
91.03939	0.4
91.05455	3.3
92.08711	0.8
92.09310	0.8
93.07023	7.0
94.07347	0.6
95.04942	11.6
95.05515	0.5
95.08591	6.2
96.08907	0.5
97.02867	5.1
97.06525	1.5
97.10142	5.1
98.10469	0.4
99.04420	3.5
99.08039	0.5
100.11210	0.3
101.02324	0.3
101.05992	0.5
101.07493	0.3
103.03904	2.7
103.05425	0.3
105.03372	100.0
105.07001	4.1
106.03703	1.7
107.04951	1.1
107.08575	6.4
108.08926	0.6
109.02852	4.4
109.06502	1.6
109.10141	7.9
110.10480	0.6
111.04432	7.7
111.08035	0.6
111.11674	1.1
113.09634	0.3
117.03307	0.3
117.06997	0.5
119.04918	1.6
119.08546	4.4
120.08886	0.3
121.06467	1.1
121.10107	6.8
122.10467	1.7
123.04398	7.2
123.08025	1.1
123.11669	2.2
124.12051	0.3
125.09615	1.6
127.03893	3.3
127.07541	0.4
127.11125	0.5
129.05450	12.8
129.06926	0.4
131.08534	1.8
133.10098	4.4
133.50903	0.3
134.10432	0.4
135.04369	1.1
135.08069	0.6
135.11662	4.0
136.12009	0.4
137.05937	1.1
137.09576	3.7
137.13229	0.3
139.07463	0.3
139.11159	2.5
140.06999	0.3
143.08537	0.4
143.10645	0.4
145.02838	2.5
145.04964	1.4
145.10095	1.8
146.03183	0.3
147.04399	4.6
147.06476	3.2
147.11676	1.8
148.04724	1.2
149.09547	1.1
149.13277	1.7
150.10045	0.3
151.11160	1.5
153.12776	0.5
155.10706	0.5
157.10103	1.0
157.12314	0.3
159.11665	2.1
161.13164	0.5
163.03902	4.8
163.11169	1.5
164.11624	0.3
165.07581	7.0
165.09052	1.2
165.12685	0.3
167.03323	0.5
167.07005	1.5
171.11652	0.4
173.13249	1.1
175.14822	1.4
177.05447	2.5
179.10495	0.3
181.12160	0.5
181.15858	0.3
185.13274	0.6
187.11124	0.3
193.15891	1.5
194.16301	0.4
209.15364	0.6
211.16962	0.5
240.11432	0.3
249.07500	3.4
250.07814	0.3
251.09108	4.5
257.34344	0.3
267.08554	3.5
268.08844	0.3
269.10129	11.4
269.13083	0.4
273.22180	0.3
275.19827	0.3
287.05444	1.8
287.11346	3.4
293.21100	1.4
301.21481	1.7
302.21829	0.6
319.22778	2.2
319.26093	0.3
320.22934	1.3
325.23621	0.4
337.23605	2.9
337.27243	0.7
338.23969	1.7
338.27548	0.3
355.24658	0.6
356.25052	0.5
391.20856	1.0
519.18054	0.3
553.26117	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19806	0.1
50.25376	0.2
50.50914	0.2
51.02352	0.3
53.03937	2.6
55.01862	1.5
55.05502	6.0
56.05829	0.2
57.03429	3.2
57.07067	0.3
59.04990	0.3
61.02914	2.6
63.73261	0.2
67.05488	3.7
69.03413	23.2
69.07050	4.6
70.07363	0.3
71.01326	0.2
71.04974	3.5
73.02890	1.5
73.06566	0.2
77.03934	0.2
79.05005	0.3
79.05463	6.2
79.05894	0.3
81.02926	0.4
81.03397	10.6
81.07030	7.5
82.03720	0.2
82.07358	0.9
83.01293	0.2
83.04963	11.6
83.08604	0.9
85.02886	15.0
85.06506	1.1
86.03201	0.4
87.04447	2.3
91.03938	0.4
91.05430	2.3
92.08646	0.5
92.09261	1.0
93.07015	6.8
94.07360	0.8
95.04946	9.4
95.08581	5.7
96.08910	0.5
97.02863	5.1
97.06518	2.0
97.10135	4.4
99.04419	3.1
99.08048	0.2
101.06001	0.4
103.03919	2.9
105.03369	100.0
105.07006	3.1
106.03716	1.2
106.07371	0.3
107.04903	0.3
107.08567	5.6
108.08887	1.0
109.02850	4.3
109.06487	1.5
109.10135	5.5
110.10465	0.8
111.04416	6.7
111.08040	0.9
111.11694	0.5
115.04015	0.2
117.03333	0.4
117.05471	0.3
117.06999	0.8
119.04896	0.9
119.08556	3.7
120.08743	0.2
121.06470	0.8
121.10116	6.0
122.10468	1.3
123.04392	6.8
123.07234	0.2
123.08054	1.3
123.11666	2.5
124.12030	0.3
125.09596	1.6
127.03864	3.1
127.07554	0.3
129.05444	11.6
131.04918	0.2
131.08527	1.0
133.10101	4.0
134.10428	0.5
135.04382	0.8
135.08029	1.0
135.11687	3.1
136.12022	0.3
137.05960	0.8
137.09576	3.2
137.13200	0.2
139.07591	0.3
139.11201	1.7
140.07013	0.4
143.08569	0.3
143.10654	0.5
145.02821	1.6
145.04941	1.4
145.10138	2.0
146.10474	0.3
147.04411	3.2
147.06483	3.2
147.07767	0.3
147.07951	0.2
147.11620	1.7
148.04793	0.3
149.05949	0.2
149.09598	1.1
149.13278	0.9
150.13568	0.3
151.11186	1.1
153.09113	0.5
155.10663	0.2
157.10121	1.0
157.12212	0.3
159.07977	0.3
159.11668	0.8
161.09552	0.5
161.13171	0.3
163.03848	3.2
163.05969	0.2
163.11163	1.2
163.14809	0.3
165.07565	7.0
165.09047	1.0
167.03386	0.3
167.06981	1.3
167.10732	0.3
168.06442	0.3
171.11696	0.3
173.09622	0.2
173.13208	0.3
174.13498	0.2
175.14780	0.5
176.15071	0.3
177.05380	1.5
178.05818	0.2
181.12170	0.4
183.10164	0.2
193.15857	1.0
203.14301	0.3
209.15266	0.3
211.16974	0.4
233.08047	0.3
249.07513	4.4
251.09050	5.0
267.08575	3.4
269.10135	13.6
269.21106	0.2
270.10553	0.3
287.05457	1.3
287.11176	3.5
291.23044	0.3
292.23331	0.3
293.21149	1.6
294.21481	0.4
301.21646	1.3
302.21848	0.5
307.22815	0.3
319.22662	2.8
320.23038	1.1
325.23648	0.3
337.23657	3.5
337.27106	0.3
338.23947	1.8
355.24603	0.3
391.21069	0.3
411.80069	0.3
533.16284	0.2
553.25751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19806	0.1
50.25376	0.2
50.50914	0.2
51.02352	0.3
53.03937	2.6
55.01862	1.5
55.05502	6.0
56.05829	0.2
57.03429	3.2
57.07067	0.3
59.04990	0.3
61.02914	2.6
63.73261	0.2
67.05488	3.7
69.03413	23.2
69.07050	4.6
70.07363	0.3
71.01326	0.2
71.04974	3.5
73.02890	1.5
73.06566	0.2
77.03934	0.2
79.05005	0.3
79.05463	6.2
79.05894	0.3
81.02926	0.4
81.03397	10.6
81.07030	7.5
82.03720	0.2
82.07358	0.9
83.01293	0.2
83.04963	11.6
83.08604	0.9
85.02886	15.0
85.06506	1.1
86.03201	0.4
87.04447	2.3
91.03938	0.4
91.05430	2.3
92.08646	0.5
92.09261	1.0
93.07015	6.8
94.07360	0.8
95.04946	9.4
95.08581	5.7
96.08910	0.5
97.02863	5.1
97.06518	2.0
97.10135	4.4
99.04419	3.1
99.08048	0.2
101.06001	0.4
103.03919	2.9
105.03369	100.0
105.07006	3.1
106.03716	1.2
106.07371	0.3
107.04903	0.3
107.08567	5.6
108.08887	1.0
109.02850	4.3
109.06487	1.5
109.10135	5.5
110.10465	0.8
111.04416	6.7
111.08040	0.9
111.11694	0.5
115.04015	0.2
117.03333	0.4
117.05471	0.3
117.06999	0.8
119.04896	0.9
119.08556	3.7
120.08743	0.2
121.06470	0.8
121.10116	6.0
122.10468	1.3
123.04392	6.8
123.07234	0.2
123.08054	1.3
123.11666	2.5
124.12030	0.3
125.09596	1.6
127.03864	3.1
127.07554	0.3
129.05444	11.6
131.04918	0.2
131.08527	1.0
133.10101	4.0
134.10428	0.5
135.04382	0.8
135.08029	1.0
135.11687	3.1
136.12022	0.3
137.05960	0.8
137.09576	3.2
137.13200	0.2
139.07591	0.3
139.11201	1.7
140.07013	0.4
143.08569	0.3
143.10654	0.5
145.02821	1.6
145.04941	1.4
145.10138	2.0
146.10474	0.3
147.04411	3.2
147.06483	3.2
147.07767	0.3
147.07951	0.2
147.11620	1.7
148.04793	0.3
149.05949	0.2
149.09598	1.1
149.13278	0.9
150.13568	0.3
151.11186	1.1
153.09113	0.5
155.10663	0.2
157.10121	1.0
157.12212	0.3
159.07977	0.3
159.11668	0.8
161.09552	0.5
161.13171	0.3
163.03848	3.2
163.05969	0.2
163.11163	1.2
163.14809	0.3
165.07565	7.0
165.09047	1.0
167.03386	0.3
167.06981	1.3
167.10732	0.3
168.06442	0.3
171.11696	0.3
173.09622	0.2
173.13208	0.3
174.13498	0.2
175.14780	0.5
176.15071	0.3
177.05380	1.5
178.05818	0.2
181.12170	0.4
183.10164	0.2
193.15857	1.0
203.14301	0.3
209.15266	0.3
211.16974	0.4
233.08047	0.3
249.07513	4.4
251.09050	5.0
267.08575	3.4
269.10135	13.6
269.21106	0.2
270.10553	0.3
287.05457	1.3
287.11176	3.5
291.23044	0.3
292.23331	0.3
293.21149	1.6
294.21481	0.4
301.21646	1.3
302.21848	0.5
307.22815	0.3
319.22662	2.8
320.23038	1.1
325.23648	0.3
337.23657	3.5
337.27106	0.3
338.23947	1.8
355.24603	0.3
391.21069	0.3
411.80069	0.3
533.16284	0.2
553.25751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.3
53.03713	0.2
53.03940	3.7
54.14098	0.1
55.01852	0.4
55.05500	0.3
56.14629	0.1
57.03417	0.9
61.02903	0.3
62.32440	0.2
62.79396	0.1
62.89049	0.1
65.97556	0.1
66.30478	0.2
67.05486	0.7
69.03412	7.0
69.07056	0.3
71.04968	1.2
73.02895	0.3
77.03946	0.2
77.46604	0.2
77.98824	0.2
78.53251	0.2
79.05467	5.6
81.03398	15.6
81.07035	1.1
83.01284	0.2
83.04951	0.2
85.02889	7.2
85.06523	0.4
86.09679	1.3
89.03879	0.4
91.05447	0.9
92.08624	0.2
92.09138	0.4
93.07011	1.2
95.04943	5.6
95.08576	1.1
97.02867	11.4
97.06510	0.2
97.75958	0.2
99.04426	2.0
104.10733	0.4
105.03370	100.0
105.07012	1.3
106.03721	0.2
107.08585	1.2
108.02084	0.4
109.02862	8.3
109.06488	0.4
109.10147	0.7
111.08094	0.2
116.04954	12.6
117.06965	0.2
119.08559	1.2
121.02820	0.3
121.06465	0.3
121.10104	0.4
123.04404	10.2
123.08006	0.2
123.11639	0.2
125.00005	0.7
126.03101	3.7
127.03896	6.3
131.08560	0.4
133.06523	0.2
133.10081	0.8
137.02298	0.8
143.08531	0.4
143.32352	0.2
145.04958	1.7
145.10129	0.4
147.11694	0.7
149.13283	0.2
154.02582	20.7
159.06770	0.8
159.11694	0.3
171.08015	0.2
171.11635	0.2
177.05472	0.3
184.07283	2.3
188.08377	0.2
194.05690	0.3
200.06981	0.2
201.07838	0.2
227.06929	0.3
231.06555	0.3
239.47615	0.2
249.07515	16.3
252.06566	0.3
267.08563	12.2
270.07620	0.9
373.16309	0.3
374.16309	0.2
378.44165	0.2
383.13620	0.4
536.15222	1.0
553.29614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1337
Annotation	Luteolin 7-(6''-p-benzoyglucoside)
Peak:m/z	Relative Intensity
51.02376	0.3
53.03939	4.5
54.81898	0.1
55.01862	0.3
55.05485	0.2
57.03420	0.6
59.73318	0.1
67.05447	0.1
68.99784	0.8
69.03416	5.9
69.07040	0.6
71.04985	1.1
73.02902	0.3
77.03907	0.2
79.05470	3.7
81.03397	15.4
81.07030	0.6
81.14142	0.1
85.02885	4.4
85.06518	0.2
91.05434	0.2
92.08656	0.3
92.09254	0.7
93.07008	0.6
95.04944	7.7
95.08575	0.6
97.02866	7.7
99.04440	1.7
105.03372	79.4
105.04517	2.0
106.03714	0.2
107.04928	0.6
107.08605	0.2
109.02858	5.8
109.10101	0.6
111.00784	1.2
121.02840	3.2
121.10091	0.2
123.04406	4.0
123.11715	0.2
127.03909	3.0
129.07040	0.2
131.08452	0.2
133.02814	0.7
135.04393	0.2
137.02299	1.1
137.05954	0.2
145.04906	1.0
145.06534	0.2
147.04376	1.2
147.11650	0.2
153.01808	4.9
157.06438	0.7
159.11681	0.2
163.03804	0.1
165.01796	2.1
171.04454	0.2
183.02849	1.2
185.05963	0.8
189.05473	0.2
201.01968	0.1
213.05370	1.4
231.06398	1.1
241.04843	1.2
249.07520	8.5
258.05139	1.4
259.05954	0.7
267.08578	1.4
287.05441	100.0
288.05835	0.6
319.26334	0.2
337.27283	0.2
523.36017	0.2
553.25238	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.1
57.07068	5.1
58.06603	1.2
60.08153	20.3
63.55795	0.6
66.96090	0.6
66.97813	0.6
67.05492	1.3
71.07355	7.0
71.08611	4.0
81.03404	2.5
81.07035	2.7
83.08618	0.9
85.10158	1.3
86.09689	68.3
91.05438	0.7
92.09119	3.8
95.08592	1.3
98.98447	5.5
104.10722	91.8
115.55015	0.7
124.99979	39.8
143.01015	0.6
166.90494	0.7
168.15662	0.6
182.18138	0.6
184.07306	100.0
253.09192	0.7
282.46213	0.6
313.52191	0.7
342.31186	0.7
534.39081	6.0
552.40118	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	552.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.0
53.03939	1.2
55.01857	3.0
55.05503	18.5
57.03422	4.4
57.07067	13.6
59.04976	1.8
61.02889	1.2
67.05141	1.3
67.05489	23.7
67.78833	0.7
69.03425	9.8
69.07052	51.0
71.04978	9.2
71.08623	3.1
73.02891	5.5
74.73117	0.8
79.05473	14.4
80.05860	0.8
81.03398	3.3
81.07036	100.0
83.04955	8.0
83.08601	30.1
85.02885	16.6
85.06522	12.1
91.05444	14.9
92.08984	7.7
93.07021	50.3
95.04926	7.8
95.08584	76.8
97.02865	8.2
97.06509	9.8
97.10145	10.6
99.04432	11.3
99.08058	6.7
101.06002	3.6
105.03374	25.5
105.07012	31.7
107.08573	64.9
109.02876	1.7
109.06494	12.8
109.09371	1.8
109.10136	55.5
111.08065	5.7
111.11691	4.9
113.09604	1.5
115.03949	1.1
117.05504	1.1
117.07003	1.5
119.04918	2.0
119.08562	19.6
121.06524	1.4
121.10118	46.8
121.10975	2.0
123.04366	2.2
123.08054	8.7
123.10785	1.5
123.11678	44.5
125.09598	1.8
127.03907	3.4
127.07520	10.3
127.11217	1.3
131.04845	1.4
131.08522	4.0
133.06450	1.1
133.10106	35.8
135.08057	5.1
135.11668	35.1
137.09610	3.7
137.13229	21.7
143.08517	4.6
145.02768	3.6
145.04970	2.0
145.10060	7.6
147.04362	6.3
147.07988	1.2
147.11659	44.1
149.09636	5.2
149.13226	39.5
151.03818	1.0
151.07590	1.3
151.11148	52.5
151.14755	1.2
153.01836	1.2
153.09103	2.0
153.12740	3.9
155.14223	1.0
157.10136	4.3
159.11627	6.7
161.09579	1.9
161.13240	6.9
163.11148	6.0
163.14816	6.4
165.12715	16.2
165.16316	1.1
167.10704	1.8
167.14272	1.7
169.12206	1.5
171.11726	1.5
172.98567	0.9
173.13278	2.0
175.11153	17.7
175.14796	4.9
177.05460	6.0
177.12706	5.1
177.16365	3.8
179.10660	6.3
181.12164	6.5
183.13860	1.6
184.07326	0.9
185.13321	1.4
187.14742	1.6
189.12758	5.0
191.14369	1.8
191.17801	1.3
191.69466	1.0
193.12212	35.0
195.13808	4.1
203.17941	4.1
205.15860	0.9
205.19498	14.9
207.13792	8.9
209.15369	1.9
209.19038	1.4
211.13184	6.2
223.20532	17.0
229.14319	27.4
249.18375	1.2
251.12773	1.3
263.19992	2.1
283.24139	4.5
287.05438	13.1
291.26514	1.6
301.25220	5.5
319.26218	44.3
337.27283	82.6
355.24121	2.0
355.28363	49.6
375.12485	1.0
539.28723	1.1
552.21033	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	552.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
54.94963	0.5
55.01862	4.8
55.05268	0.6
55.05507	13.4
57.03425	6.9
57.07075	5.9
59.04983	2.9
61.02903	2.3
67.05494	18.4
69.03059	0.8
69.03408	9.1
69.07052	33.5
71.01318	1.0
71.04980	8.0
71.08604	1.0
72.64445	0.5
73.02900	5.0
73.79768	0.5
79.05472	10.3
81.03401	3.3
81.07040	69.6
83.04958	3.8
83.08606	15.3
85.02889	20.8
85.06528	100.0
86.09701	1.0
91.05460	7.5
92.08744	2.2
93.07022	30.1
95.04959	4.5
95.08585	64.3
97.02869	10.4
97.06504	6.7
97.10145	8.6
99.04432	7.1
99.08069	12.3
101.06000	0.9
103.05360	0.7
103.07569	0.6
105.03374	10.1
105.07007	14.6
107.08581	32.4
109.02850	3.0
109.06493	6.5
109.09389	1.4
109.10143	43.4
111.08073	5.8
111.11708	4.6
113.09624	2.4
115.03925	2.4
115.05424	0.6
117.06999	1.0
119.08575	9.0
121.06482	2.5
121.10123	25.9
123.04397	0.7
123.08080	6.8
123.11686	38.5
124.99990	0.8
125.09613	1.4
127.03899	2.4
127.07527	4.6
127.11168	3.6
131.08551	4.0
133.04939	2.5
133.06436	0.8
133.10103	9.8
135.08009	2.4
135.11671	23.3
137.05919	0.8
137.09569	1.3
137.13223	9.7
139.11174	2.5
141.12753	0.9
143.08531	1.3
144.39375	0.7
145.04929	1.4
145.10100	3.6
147.04376	4.4
147.11665	18.5
147.12747	1.0
149.09628	2.4
149.13214	18.8
149.14322	0.9
151.11165	18.4
151.14764	1.0
153.09122	0.8
153.12727	3.6
157.10089	2.3
159.11636	5.3
161.05995	0.9
161.09607	1.0
161.13177	4.3
163.11130	1.3
163.14775	3.8
165.12711	7.5
167.06972	4.3
167.14305	3.0
171.11661	2.4
173.13239	2.5
175.11200	3.5
175.14841	1.3
177.09111	2.3
177.12755	5.8
177.16360	2.3
179.10605	2.5
179.17955	1.1
181.12202	2.9
182.57207	0.7
184.07285	2.7
185.13379	0.6
189.09091	0.8
189.12715	1.4
189.16322	1.0
191.14290	0.9
193.08560	2.2
193.10294	1.3
193.12181	5.6
195.13812	4.8
199.14938	0.6
203.10640	1.1
203.17915	3.0
205.19476	6.9
207.13768	3.8
209.15228	0.8
209.18994	0.7
213.16426	0.7
221.18958	1.0
223.20537	11.3
229.14383	2.8
241.21568	29.2
248.39215	0.6
259.24081	0.7
283.24142	3.1
291.26764	0.7
301.25311	2.3
319.22623	1.0
319.26245	20.2
337.24347	1.7
337.27298	41.0
343.15518	0.7
355.28387	15.9
373.29391	28.4
379.21320	0.8
392.06302	0.7
434.55591	0.7
447.53571	0.6
562.57233	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49226	0.3
53.00289	0.5
53.03938	0.7
55.01870	3.1
55.05502	7.8
57.03427	7.0
57.07058	3.8
59.04988	0.8
61.02907	2.2
67.05490	12.7
69.03416	6.7
69.07053	17.0
69.35698	0.4
71.01321	0.5
71.04971	6.6
71.08619	0.5
72.63030	0.4
73.02890	6.5
75.04523	0.4
75.76429	0.4
79.05470	4.5
81.03394	2.2
81.07037	32.7
83.04969	0.7
83.08607	10.4
85.02888	16.5
85.06527	100.0
86.09689	0.5
87.04435	0.9
91.05466	3.4
92.08675	1.8
92.09307	1.4
93.07019	13.3
95.04948	1.0
95.08582	38.4
97.02865	9.6
97.06516	2.0
97.10129	6.6
99.04432	2.6
99.08070	12.5
99.08678	0.8
103.07558	0.7
105.03385	7.5
105.07017	5.3
107.08577	15.1
109.02884	1.8
109.06520	0.8
109.09380	0.9
109.10139	28.7
111.08072	2.1
111.11727	2.2
113.09631	1.9
115.03920	2.5
119.08517	3.4
121.10120	11.5
123.08091	0.9
123.10779	1.0
123.11681	26.4
125.09616	0.7
127.03868	3.1
127.07469	0.6
127.11177	3.1
131.08554	0.7
133.04953	2.0
133.10127	3.1
133.62573	0.5
135.11670	10.8
137.09595	0.6
137.13246	3.8
139.11130	0.5
141.12721	0.8
142.07771	0.5
143.08563	0.8
145.04987	0.8
145.10118	1.0
147.04401	0.9
147.11646	4.5
149.13243	11.2
151.11159	4.3
151.14865	0.5
153.12753	0.9
159.09628	0.5
159.11734	0.8
161.05945	0.5
161.13263	2.0
163.03865	0.6
163.07480	0.5
163.11186	0.9
163.14751	4.0
165.12639	0.9
165.16412	0.5
167.07010	2.2
167.14255	0.5
173.09647	0.5
177.09222	0.7
177.12766	0.7
177.16391	2.7
179.10623	0.5
179.17967	1.9
181.12254	0.7
184.07343	1.0
189.12706	0.7
193.12146	0.7
201.16400	0.5
203.17827	0.5
205.19489	7.1
207.13824	0.7
223.20525	9.8
241.21576	36.2
274.15070	0.5
283.24359	0.5
288.40103	0.5
301.25269	0.6
319.26221	4.1
337.27356	8.2
355.28452	4.4
373.29483	6.6
403.26993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.2
54.54397	1.2
55.01871	3.4
55.05265	2.3
55.05504	35.2
56.96562	10.6
57.03426	18.5
57.06798	1.6
57.07066	18.9
59.04995	2.2
61.02914	1.8
61.33484	1.2
67.05489	46.4
69.03070	2.4
69.03417	48.4
69.07053	47.3
70.06560	2.0
71.01344	1.4
71.04973	10.7
71.08604	2.1
73.02905	11.7
79.05479	29.5
81.03404	12.6
81.07040	99.5
83.04962	7.1
83.08600	54.6
85.02885	34.7
85.06530	33.7
86.09679	2.2
87.04446	14.7
91.05450	24.3
93.07020	82.6
95.04944	14.2
95.08582	87.4
96.08936	2.0
97.02866	33.2
97.06495	7.3
97.10154	15.5
97.74393	1.6
99.04416	8.5
99.08066	33.2
101.06000	3.4
105.03377	44.1
105.07016	34.3
106.74700	1.5
107.04923	7.1
107.07866	3.3
107.08578	87.9
109.02852	2.9
109.06514	6.2
109.10141	99.8
110.10501	2.5
111.04454	2.6
111.08060	6.6
111.11701	3.0
113.06040	2.7
113.09637	3.4
115.03916	27.2
117.07018	8.8
119.04928	6.8
119.05887	1.3
119.08566	21.4
121.02837	3.1
121.06469	7.5
121.10120	63.2
122.10461	2.0
123.04401	8.5
123.08050	6.9
123.11687	49.3
124.12003	1.5
125.00012	2.6
125.09625	7.4
127.03896	11.8
127.07528	3.3
128.06215	3.1
129.06970	3.6
131.04845	2.5
131.08563	8.3
133.02815	2.5
133.04927	21.7
133.06470	3.0
133.10100	14.7
135.04338	1.7
135.08067	2.4
135.11676	39.4
136.12054	1.7
137.05995	1.8
137.09560	3.3
137.13231	9.0
139.14827	2.2
143.08525	11.3
145.02826	2.4
145.04950	2.1
145.06386	2.0
145.10086	10.2
147.04414	8.5
147.11673	16.4
149.09657	2.5
149.13239	100.0
151.11157	8.7
152.11479	1.8
155.08540	2.1
157.10167	5.9
159.10468	1.7
159.11664	9.1
161.05917	3.3
161.09599	3.7
161.13254	3.4
163.03951	1.9
163.07439	3.0
163.11180	6.2
163.14790	16.4
165.12717	2.2
167.06995	32.5
169.12231	1.8
171.08083	1.6
173.13272	3.6
175.11188	1.9
175.14807	2.4
177.05467	6.0
177.09068	15.9
177.16335	1.9
179.10655	1.8
181.12250	1.5
183.11592	1.9
184.07306	6.4
185.13353	1.9
187.14751	2.2
189.09076	2.9
189.16376	2.2
191.06990	1.9
193.08588	8.6
197.01204	12.4
199.83038	1.8
203.10629	6.0
203.17897	3.1
204.18181	2.4
205.19495	53.0
211.07614	1.6
215.02258	12.8
221.18994	2.4
223.20535	85.7
241.21600	7.4
249.07568	3.2
259.08063	2.3
267.08401	2.0
269.03302	3.5
287.04645	10.2
295.10126	2.8
319.22656	2.8
319.26239	7.2
335.04388	2.4
336.26126	2.6
337.23648	2.7
337.27255	14.8
355.28287	12.9
370.13782	1.7
529.09607	2.6
553.26483	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.1
53.03931	7.4
55.01860	3.0
55.05503	43.3
56.41450	1.2
57.03434	9.4
57.07053	5.3
59.04990	2.0
61.02904	8.2
64.33936	1.4
65.03913	1.3
67.05489	28.0
69.03070	2.1
69.03416	36.3
69.07053	64.0
71.04968	22.0
73.02899	1.4
79.05467	25.2
81.03402	12.9
81.07036	85.6
83.04970	18.3
83.08609	10.0
85.02885	43.0
85.06509	6.9
87.04455	3.0
91.05456	20.9
92.08575	1.5
92.09103	7.3
93.07021	100.0
95.04951	26.5
95.08581	75.2
97.02863	16.2
97.06512	14.4
97.10143	64.0
99.04411	8.0
99.08064	2.1
103.03930	1.3
105.03372	83.8
105.04432	2.3
105.07011	35.9
107.04922	5.8
107.07859	2.9
107.08569	68.7
107.39268	1.4
109.02867	8.7
109.06506	14.9
109.10139	63.7
111.04414	6.6
111.08051	6.9
111.11700	14.6
113.09616	1.3
113.56164	1.3
117.06969	6.8
119.04896	6.6
119.08554	37.6
121.06522	10.6
121.10117	90.2
122.10357	1.8
123.04385	7.8
123.08038	10.0
123.11684	27.0
125.05900	1.9
125.09613	13.6
127.03883	10.0
129.05434	6.9
129.06952	2.1
130.07816	1.5
131.08516	15.6
133.10095	38.3
135.08023	8.3
135.11670	44.9
137.09596	17.3
137.13231	5.6
139.07549	1.5
139.11142	26.6
143.08530	5.9
143.10649	8.2
145.02756	1.9
145.04927	6.5
145.10109	33.7
147.04381	31.6
147.08025	6.1
147.11678	18.0
149.09634	10.6
149.13203	15.0
151.11087	13.2
153.09061	2.3
153.12718	8.1
155.10738	2.4
157.10136	9.7
157.12244	7.8
159.11673	18.4
161.09593	10.4
161.13211	8.0
163.11153	19.2
163.14787	5.5
165.07683	2.1
165.09070	5.7
165.12778	5.4
167.06973	8.5
167.10594	6.0
169.10144	2.4
171.11659	5.5
173.09563	1.9
173.13208	8.1
175.11165	7.8
175.14815	12.4
177.12703	5.7
177.16344	2.5
179.10593	2.0
181.12126	11.8
185.13171	3.1
187.14862	2.7
189.12648	1.9
189.16360	1.8
191.14290	3.0
193.12167	3.0
193.15840	20.4
195.13756	2.1
197.13150	2.2
199.13167	2.7
199.14809	2.9
201.16290	2.0
203.14391	2.7
203.17741	1.5
211.16908	2.5
213.16277	2.1
215.14233	2.2
221.15448	1.8
223.13242	1.6
227.87828	1.4
237.14857	1.5
246.72954	1.9
249.07616	4.4
251.09076	2.1
255.21068	2.0
256.94510	1.6
267.08588	2.6
269.10098	10.2
269.21024	1.9
273.22058	9.0
275.19998	7.4
283.20428	5.4
287.05588	4.9
289.21252	2.5
291.23132	12.4
293.21002	26.5
301.21576	28.3
307.22577	7.1
319.22614	57.9
325.23639	9.2
337.23651	78.4
355.24664	8.7
469.43707	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.01847	8.3
55.05502	29.0
57.03417	10.8
57.07055	6.4
59.04978	2.2
61.02904	7.5
67.05492	37.3
69.03409	34.7
69.07049	39.9
70.06548	2.7
71.04977	14.9
73.02872	1.5
74.37656	1.3
75.04465	2.1
79.05061	1.7
79.05477	26.0
81.03389	17.9
81.07035	90.0
83.01323	1.6
83.04959	17.8
83.08598	13.8
84.08121	1.9
84.09045	1.4
85.02883	43.9
85.03365	2.8
85.06532	27.9
86.09700	3.2
87.04437	2.5
91.05457	20.0
92.08826	5.6
92.09325	1.9
93.07021	78.3
95.04945	17.8
95.08578	100.0
96.08897	2.2
97.02869	16.3
97.06497	25.4
97.10126	8.6
99.04445	13.2
99.08063	7.0
101.05982	3.6
105.03375	72.2
105.06391	1.9
105.07008	53.0
107.04967	2.1
107.08569	79.1
109.02879	13.0
109.05784	2.3
109.06487	25.6
109.09377	2.5
109.10136	68.6
110.10485	2.1
111.04457	2.6
111.08057	26.7
111.11720	2.8
113.05979	6.5
115.03904	2.5
117.03346	5.6
117.06995	7.5
119.04907	1.8
119.08551	61.1
120.08089	8.8
121.06444	12.3
121.10118	69.0
123.04383	8.1
123.08040	27.4
123.11678	47.7
125.05957	7.7
125.09595	20.0
127.03871	10.8
127.07565	2.5
129.05443	3.2
129.06929	3.0
131.08522	18.4
132.04257	2.2
133.06509	2.3
133.10103	50.4
135.04390	1.7
135.08031	11.0
135.11664	58.9
137.05975	3.4
137.09598	47.0
137.13211	3.7
139.07518	9.9
139.11142	10.2
141.09052	6.4
143.08563	7.1
144.09273	3.7
145.02863	19.9
145.04903	6.6
145.10103	31.0
147.04378	10.5
147.08029	7.1
147.11646	27.1
149.05940	2.9
149.09586	13.8
149.13268	14.4
151.11162	19.2
153.08977	6.2
153.12756	12.2
157.10089	17.6
159.11664	39.9
161.09605	11.9
161.13211	18.9
163.03897	2.2
163.11147	20.0
163.14786	3.4
165.09058	13.0
165.12689	7.5
167.06953	2.2
167.10617	27.0
167.14307	2.1
169.10083	6.2
171.07945	1.8
171.11610	10.0
173.09552	2.7
173.13226	12.1
175.11159	10.3
175.14790	26.2
177.05415	36.4
177.12732	22.5
179.10570	3.1
179.14272	2.9
181.12224	3.5
185.11668	10.9
185.13243	10.9
187.11139	1.7
187.14723	3.7
189.09021	11.3
189.12675	7.0
189.16380	3.4
190.09344	2.7
191.14320	3.2
193.12134	2.1
193.15868	18.5
195.11749	2.2
195.13835	2.0
197.13217	2.9
199.14725	9.1
201.16432	2.5
203.14284	10.6
203.17950	1.9
205.12219	2.8
207.13722	2.3
209.13197	2.1
211.14955	2.6
211.16891	6.8
213.16360	3.2
215.14288	1.8
217.15903	1.8
223.15016	1.8
225.16280	2.5
227.14331	2.8
227.17947	2.2
229.17833	2.0
231.13840	3.9
231.17268	1.6
233.15323	6.2
239.16402	1.8
245.15286	2.8
246.45680	1.8
249.07614	3.2
249.14789	3.9
251.09067	5.8
255.21091	2.7
263.16257	1.8
265.19467	7.3
267.08627	2.1
273.22058	5.9
283.20514	13.4
289.21539	8.0
301.21515	56.4
307.22617	17.3
319.18799	3.6
319.22595	92.0
321.10110	2.0
325.23770	6.3
335.25754	1.9
336.26135	2.5
337.19650	2.2
337.23642	60.7
353.26651	2.0
354.27060	3.4
355.24707	55.4
373.25748	2.0
541.17615	1.7
553.29938	2.1
564.85541	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.05500	1.8
57.03402	0.9
58.06581	1.1
60.07869	1.1
60.08151	20.6
67.05479	4.6
69.03402	3.5
69.07045	1.6
71.04934	0.6
71.07354	7.4
79.05463	6.1
79.94263	0.6
81.03392	3.3
81.07030	5.3
83.04951	1.7
83.08572	1.2
85.02869	2.9
85.06538	0.9
86.09689	68.0
90.52045	0.6
91.05450	3.4
92.08954	0.9
93.07021	7.9
95.04930	3.1
95.08585	5.4
97.02861	1.4
98.98444	7.2
99.04404	0.7
104.10720	90.5
105.03371	8.1
105.06999	7.2
107.08553	4.6
109.02806	0.8
109.06539	1.6
109.10118	3.5
117.06986	1.6
119.08566	5.5
121.06466	0.8
121.10119	1.8
123.04430	0.7
123.07994	1.1
124.99970	41.0
131.08530	3.4
131.66597	0.7
133.10071	2.9
135.08005	1.7
137.09570	0.9
143.08470	1.0
145.10085	3.9
147.11659	1.8
149.09666	1.0
149.13272	0.9
151.11118	0.8
157.10049	1.6
159.11684	2.7
161.09541	1.2
161.13232	1.7
163.01479	0.8
171.11574	0.9
173.13155	0.9
175.10995	0.8
175.14729	1.8
184.07300	100.0
185.09698	0.8
187.14787	2.6
201.16342	0.9
250.75142	0.7
258.10818	1.0
267.08582	1.0
412.26611	0.8
446.72708	0.9
452.24121	10.5
516.30786	2.7
534.31683	11.2
552.33533	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	552.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83585	0.1
55.05494	0.6
56.05029	0.2
56.44154	0.1
57.03422	0.2
57.07044	0.1
58.06600	0.3
60.08150	8.7
65.03936	0.2
67.05475	1.3
69.03397	0.3
69.07066	0.3
71.04982	0.2
71.07353	3.9
71.89325	0.2
77.80611	0.2
79.05469	0.9
81.03419	0.3
81.07035	1.3
82.72258	0.2
85.02890	0.6
85.06515	0.3
86.09686	47.9
91.05470	0.9
93.07020	1.2
95.04945	0.8
95.08583	1.2
97.02851	1.9
97.06496	0.2
98.03196	0.3
98.98431	3.6
99.03304	0.2
104.10725	8.5
105.03363	2.6
105.07004	1.1
106.96588	0.2
107.08571	1.0
109.02921	0.2
109.06496	0.3
109.10139	0.7
109.40976	0.1
113.05989	0.3
117.06966	0.3
119.08578	0.8
121.10139	0.3
122.25408	0.2
124.69537	0.2
124.99975	34.0
131.08549	0.2
133.10152	0.3
135.11678	0.3
143.01057	0.7
143.08560	0.2
145.10141	0.3
147.11783	0.2
159.11652	0.6
162.82715	0.2
169.43143	0.2
173.09576	0.2
183.11584	0.2
184.07298	100.0
234.83612	0.2
258.10895	0.2
412.20505	0.2
428.37595	0.2
452.23822	0.6
503.27283	0.2
534.31818	2.6
552.33014	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	552.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
54.79119	0.2
55.01842	0.3
55.05503	0.4
56.05029	0.4
57.03420	0.3
58.06571	0.3
59.04984	0.2
60.08149	10.2
64.69844	0.2
65.03925	0.3
67.05489	2.1
69.03403	1.5
69.07037	0.9
71.04957	0.9
71.07343	4.2
71.70924	0.2
79.05485	1.7
79.05889	0.2
81.03400	1.0
81.07050	1.8
83.04951	0.4
85.02873	1.1
85.06522	1.2
86.09686	44.1
91.05455	1.3
91.23001	0.2
92.78049	0.2
93.07018	1.6
95.04932	1.9
95.08571	1.8
97.02861	0.4
97.06505	0.9
98.98445	3.7
99.04399	0.3
104.10722	8.3
105.03374	3.4
105.07015	1.6
106.03713	0.2
107.08555	1.5
107.63061	0.3
109.06506	0.5
109.10107	1.2
110.28314	0.2
111.08045	0.2
113.05982	1.6
119.04897	0.4
119.08549	1.8
121.10100	1.4
123.04374	0.2
123.11728	0.4
124.99977	32.8
131.08537	1.0
133.10139	0.5
135.11687	0.3
137.09557	0.3
141.06908	0.3
143.01079	0.4
143.08559	0.4
145.08572	0.2
145.10094	1.1
147.04407	2.6
147.11638	0.5
149.02330	0.5
154.78896	0.2
157.10060	0.9
159.11629	1.1
161.09647	0.3
165.09116	0.4
169.10092	0.3
173.13263	0.4
175.14786	0.3
183.11742	0.3
184.07300	100.0
189.09105	0.3
193.04942	0.3
203.14272	0.9
256.45016	0.2
287.12595	0.3
311.88391	0.2
419.55362	0.3
429.11618	0.4
452.23889	1.0
475.33719	0.9
534.31781	1.6
552.32910	7.0
553.19965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53727	0.2
53.00309	0.2
53.03931	0.6
55.01862	0.3
55.05502	2.8
57.03416	0.6
57.07047	1.4
61.02911	0.6
67.05492	2.4
69.03409	3.3
69.07050	8.9
70.19570	0.2
71.01314	0.3
71.04958	1.0
72.70837	0.3
73.02888	0.5
79.05461	1.5
79.87923	0.2
81.03405	2.6
81.07028	3.3
83.08610	2.5
85.02887	7.9
85.06511	0.3
89.02346	0.3
91.05438	3.3
92.09133	0.6
93.07025	2.6
95.04934	1.5
95.07994	0.5
95.08579	8.8
97.02879	3.4
99.00742	0.3
99.04415	1.5
105.03366	22.5
105.07009	9.4
105.07697	0.2
107.07040	0.3
107.08584	4.9
107.84083	0.3
109.02844	2.5
109.06515	0.6
109.10134	9.0
114.74159	0.3
117.06991	1.0
119.08556	43.7
121.10136	2.5
123.04404	2.9
123.08064	0.6
123.11682	0.4
127.03877	1.5
129.06985	0.2
131.08527	1.5
133.10103	42.2
135.11671	3.9
135.73270	0.2
137.09586	2.8
143.08577	0.5
145.04918	1.1
145.10078	2.0
147.04396	0.5
147.10574	0.5
147.11662	8.0
149.13246	0.6
151.14766	0.5
157.10092	0.3
159.11679	0.5
160.12404	2.1
173.13280	1.8
174.13638	0.3
175.14783	100.0
176.15155	0.5
177.16296	0.4
178.96667	0.4
187.02261	0.4
189.12694	0.3
193.15842	12.8
203.14288	0.3
205.12169	0.3
212.58478	0.3
219.13693	0.4
227.16339	0.4
231.06339	0.4
249.07498	2.7
267.08588	7.1
267.11166	0.4
308.31079	0.2
330.41205	0.3
373.13992	0.4
407.67438	0.3
489.31885	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67205	0.6
52.06966	0.6
53.00293	1.1
53.03932	3.3
55.01861	1.5
55.05499	3.0
57.01988	0.6
57.03431	6.0
57.07069	1.2
59.04980	0.7
60.17188	0.6
61.02910	9.0
63.18030	0.6
67.05490	3.8
69.03414	24.3
69.07056	3.2
70.86498	0.7
71.04974	89.2
73.02893	4.0
76.57066	0.6
79.05466	4.5
81.03403	8.9
81.07037	13.9
83.04932	0.7
83.08599	0.9
85.02889	89.3
85.06525	3.0
86.02529	0.9
87.04429	1.1
87.08103	1.4
91.03931	3.2
91.05439	2.7
92.08652	0.7
92.09156	0.8
93.07015	7.6
95.04939	3.4
95.08581	9.5
97.02867	22.2
97.06495	1.2
99.04449	5.2
99.08055	4.0
103.03977	1.0
105.03377	4.2
105.07000	8.9
107.04953	1.0
107.08585	9.8
109.02866	9.5
109.06505	1.7
109.10130	6.6
119.08561	10.2
120.51183	0.7
121.10120	41.4
123.08064	5.0
123.11678	37.9
127.03889	18.6
127.07465	0.9
131.08540	1.5
133.10101	11.0
134.10449	0.8
135.11688	3.9
137.05991	0.8
137.09613	7.1
138.09067	0.9
143.08569	1.0
145.04944	15.3
145.10112	4.0
147.11700	3.3
149.08479	0.7
149.09608	1.6
149.13248	1.1
151.11159	11.1
151.14763	1.2
157.10074	0.9
159.11655	0.9
161.09625	1.8
163.05962	8.0
165.09048	1.0
165.12738	8.4
165.16379	1.0
175.14801	9.7
177.05406	1.2
181.04982	0.9
187.14894	1.5
193.15845	100.0
199.14726	0.8
211.16902	58.2
216.11649	0.7
229.18011	1.3
301.21436	1.1
302.62045	0.9
319.22696	1.4
325.11322	1.2
334.09085	0.9
337.23569	1.6
355.24677	1.1
385.87708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
54.81712	1.2
55.01854	1.7
55.05499	11.5
55.42999	1.1
57.03435	2.6
57.07061	1.5
61.02910	7.4
67.05480	17.8
69.03409	17.4
69.07050	23.4
71.04971	5.1
72.14087	1.1
79.05450	4.4
81.03398	6.7
81.07037	25.5
83.04962	12.6
83.08613	7.3
85.02888	54.2
85.06528	5.9
91.03925	1.9
91.05463	6.6
92.08684	1.6
92.09189	3.4
93.07015	15.1
95.04945	2.5
95.08582	50.7
97.02874	15.0
97.06504	2.0
99.04434	2.1
99.08076	5.9
105.03398	3.1
105.07011	14.4
106.02882	6.4
107.08583	34.2
109.02874	3.1
109.06506	11.9
109.10136	96.8
111.08076	3.1
119.08557	44.9
121.10111	48.6
123.08035	20.5
123.11664	12.9
124.03928	9.0
125.09626	2.3
127.03880	11.2
131.08549	2.6
133.10101	42.5
134.10432	2.3
135.11664	100.0
137.09589	62.3
138.09941	2.0
139.11127	14.6
145.04919	15.8
147.11655	6.9
149.13261	18.9
151.11180	5.8
151.14824	12.0
161.09503	1.4
163.05962	9.8
173.13200	2.6
175.14784	44.6
184.07278	1.9
191.14203	4.6
193.15848	69.0
209.15326	2.2
211.16916	55.7
219.13863	5.5
247.11971	1.3
250.06985	1.6
325.11310	2.2
355.21051	2.1
488.30807	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.3
54.14093	0.9
55.01863	4.1
55.05501	10.6
57.03415	7.2
57.07064	2.5
59.04978	1.4
61.02917	9.3
61.03162	1.1
67.05489	21.4
69.03415	64.2
69.07053	21.0
70.03738	10.2
71.04953	6.0
73.02894	1.4
79.05467	7.0
79.36079	0.9
81.03409	16.4
81.07038	23.0
82.07362	1.5
83.04946	7.5
83.08601	5.1
85.02891	100.0
85.06522	5.2
86.03213	5.2
86.09681	1.5
87.03329	1.6
91.03931	6.1
91.05462	8.6
93.07018	18.8
95.04930	4.7
95.08585	50.2
96.08895	1.3
97.02872	33.3
97.06489	2.5
97.10116	1.7
98.03178	1.4
99.04408	6.9
103.03902	1.8
105.03391	9.9
105.07014	19.4
106.02899	12.4
107.08578	35.2
108.08929	4.3
109.02855	13.5
109.06494	12.1
109.10140	80.2
110.10525	1.2
111.08050	4.8
115.03862	1.2
117.07017	1.2
119.08556	49.2
121.06446	1.1
121.10124	64.2
122.10457	2.5
122.89548	1.1
123.08025	22.1
123.11650	9.3
124.03919	19.9
124.08340	1.4
124.12006	1.3
125.09608	17.1
126.09907	5.0
127.03888	24.8
131.08519	5.1
133.10104	32.8
134.10385	1.2
135.08044	10.8
135.11671	85.3
136.08369	4.4
136.12013	1.8
137.05946	2.6
137.09589	80.5
138.10248	1.0
139.11137	21.4
140.92813	1.1
145.04939	21.1
145.10086	5.4
147.11691	8.7
149.09598	2.5
149.13248	22.6
150.09947	2.2
151.11189	2.2
151.14821	8.6
153.09052	2.7
154.09428	1.7
158.10855	1.4
161.05838	1.7
161.09604	1.3
163.06015	13.0
163.11066	1.4
163.14778	1.9
164.15163	1.0
165.12720	1.4
167.07060	1.6
173.13232	12.6
174.13556	7.5
175.14809	47.0
191.14268	31.9
192.14612	22.1
193.15886	79.1
209.13615	1.4
209.15341	39.1
210.15669	27.2
211.15855	14.5
250.07205	2.1
252.31601	1.3
268.08115	6.8
303.04834	2.4
304.05283	5.7
319.22162	1.3
325.11234	6.6
355.20880	5.9
385.60809	1.3
553.18475	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	552.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
54.34594	0.3
54.81562	0.4
55.01862	1.7
55.05503	4.9
55.25104	0.3
55.76455	0.4
57.03415	2.4
57.07062	0.7
59.04976	0.6
61.02902	2.8
66.16518	0.3
67.05495	3.4
69.03069	0.5
69.03414	8.8
69.07050	10.8
71.04960	2.5
73.02879	0.7
79.05480	4.7
79.77592	0.4
81.03395	4.6
81.07044	6.8
83.04971	0.7
83.08590	2.4
85.02888	33.3
85.06514	1.5
91.03941	1.2
91.05455	5.3
92.08910	2.4
93.07020	5.8
95.04937	1.8
95.08585	9.6
97.02866	10.1
97.06505	1.8
99.04436	5.9
99.08044	0.5
105.03368	14.3
105.07012	17.3
107.08575	8.4
109.02860	5.0
109.06459	0.6
109.10133	7.3
111.04375	0.5
111.08047	0.4
115.03896	0.6
117.06981	1.8
119.04934	0.4
119.08553	49.6
120.08852	0.4
121.10115	3.3
123.04396	1.9
123.07983	0.8
123.11680	0.8
125.05970	0.6
127.03884	7.3
131.08521	2.9
133.10103	52.4
135.08076	0.6
135.11673	6.8
137.09575	3.0
143.06944	0.5
145.04938	6.2
145.10141	2.6
146.10785	0.6
147.04376	0.5
147.11658	8.3
149.13268	1.5
150.69983	0.4
151.14801	0.5
157.10074	0.9
159.11630	0.5
160.12390	2.2
161.05902	0.4
163.05954	2.6
167.96373	0.5
173.13187	1.9
175.11252	1.8
175.14781	100.0
176.15044	0.7
191.07042	0.7
193.12248	4.2
193.15820	6.2
249.07495	1.7
267.08435	1.6
307.11899	0.4
337.20007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.3
53.03943	0.3
55.05497	8.2
57.03427	0.3
57.07067	1.1
58.74099	0.2
61.02912	1.1
67.05487	2.8
69.03408	3.0
69.07051	12.3
71.04975	5.3
79.02396	0.3
79.05479	2.5
81.03390	1.5
81.07028	8.3
83.04969	0.5
83.08606	5.0
85.02882	6.5
85.06545	0.3
89.05981	0.3
91.05453	9.9
91.05997	0.4
92.08781	0.6
92.09258	0.4
93.07021	5.7
95.04977	0.4
95.08579	9.8
97.02868	1.8
99.04424	0.6
99.08065	0.4
103.05461	0.4
105.03397	2.0
105.07006	24.4
107.08569	17.7
108.08894	0.6
109.02864	0.6
109.06486	1.4
109.10123	2.4
117.07001	4.5
119.08553	100.0
120.08839	0.5
121.06486	0.5
121.10110	6.2
122.10455	0.5
123.08059	0.6
127.03896	2.6
131.08527	2.5
133.10097	28.7
134.10439	0.3
135.08026	0.3
135.11667	1.1
137.09593	0.4
145.04912	2.0
145.10086	2.3
146.10869	0.6
147.11684	4.9
149.09596	2.4
149.13185	0.4
150.09888	0.6
151.11215	0.5
160.12399	1.3
161.13280	0.3
163.05975	0.5
173.13223	2.2
174.13530	0.3
175.14778	68.6
176.15129	0.6
191.14325	2.1
192.14610	1.3
193.12180	0.3
209.15335	2.6
210.15649	2.4
215.09135	2.2
233.10204	3.1
267.08557	0.4
385.61832	0.3
394.47360	0.3
436.88348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.2
53.03928	0.1
55.05509	2.5
57.03445	0.5
57.07064	0.8
61.02906	0.4
61.43985	0.2
67.05497	1.6
69.03399	1.4
69.07056	10.0
71.04981	0.2
73.02911	0.6
79.05463	1.2
80.17971	0.2
81.03406	0.4
81.07040	3.1
83.08594	2.4
85.02892	3.8
85.06544	0.6
91.05461	3.1
92.08884	0.3
93.07012	2.1
95.08584	7.8
97.02863	1.6
99.00804	0.2
102.59940	0.2
103.05489	0.2
105.03371	2.5
105.07014	9.6
107.08581	3.4
109.02858	0.3
109.06475	0.2
109.10138	7.0
114.36723	0.2
115.03925	0.2
117.07000	0.8
119.08559	42.4
121.10125	2.4
123.04427	0.3
123.08088	0.2
123.11662	0.3
127.03891	0.4
131.08517	1.2
133.10104	38.6
134.10902	0.3
135.11656	2.7
137.09627	2.3
145.05046	0.3
145.10112	2.5
146.10876	0.2
147.04427	0.2
147.11671	6.9
149.13246	0.7
151.14801	0.9
159.11647	0.3
160.12460	1.6
171.11761	0.2
173.13237	1.7
175.14787	100.0
176.15150	1.4
193.15854	10.2
209.15274	0.2
253.33701	0.2
255.34084	0.2
265.59940	0.2
267.08542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.7
53.03941	1.6
55.01862	1.7
55.05256	0.7
55.05502	9.1
57.03419	1.0
57.07064	0.5
61.02909	2.3
64.94152	0.3
65.03919	0.5
67.05490	4.9
69.03416	5.4
69.07054	13.2
71.04977	10.4
79.05473	6.9
80.05811	0.8
80.46889	0.4
81.03397	3.2
81.06602	0.5
81.07043	11.0
83.04972	0.9
83.08601	5.3
85.02889	15.7
85.06537	1.6
86.06065	0.5
87.04446	0.5
91.03935	0.5
91.05463	12.9
92.05795	0.5
93.07030	8.7
95.04957	3.5
95.08588	14.5
97.02869	4.6
97.06480	0.9
99.00809	0.6
99.04430	7.9
99.08059	0.6
100.04798	0.4
103.05436	8.3
104.05759	3.1
105.03375	6.4
105.07017	56.4
106.07347	11.1
107.04926	0.7
107.08575	23.2
108.08872	0.5
109.02859	2.4
109.06517	0.9
109.10138	4.6
113.09573	0.6
115.05452	7.4
116.05780	2.6
117.07020	4.8
118.04128	4.5
119.04456	0.6
119.08562	100.0
120.33603	0.4
121.10117	8.0
123.04418	1.0
123.08028	2.0
123.11670	1.8
127.03884	3.7
129.05449	0.4
129.06978	0.5
129.11292	0.5
131.04915	5.1
131.08565	2.6
132.05263	2.4
133.06473	27.4
133.10110	34.3
134.06790	9.8
135.08018	0.7
135.11636	3.7
137.05969	0.9
137.09604	0.6
143.06078	1.9
145.04988	3.1
145.10101	2.5
146.11009	0.5
147.04372	2.1
147.11664	9.2
148.05206	3.7
149.05641	0.8
149.09599	0.5
149.13231	3.0
151.07423	0.5
151.11176	0.5
153.09158	0.7
157.10103	0.4
159.11639	0.9
160.12395	0.9
161.05952	30.3
161.09647	0.8
161.13249	0.9
162.06291	13.9
163.06085	1.6
163.07533	5.1
164.07916	1.7
167.07095	0.5
169.12227	0.4
171.11662	0.6
173.13258	2.4
174.13611	0.7
175.14787	71.2
177.05409	0.7
183.13861	0.6
189.12779	1.0
191.07001	12.5
191.08636	0.7
191.14275	0.9
192.07338	7.8
193.08582	6.8
193.15862	5.0
194.08916	4.2
209.15353	0.9
215.09128	0.9
219.13756	0.5
223.13263	0.8
227.16379	4.5
228.16812	2.3
233.10083	2.9
242.63869	0.4
249.07494	0.6
249.14857	0.5
253.15536	0.5
267.08606	1.7
488.30984	0.8
525.25031	0.5
528.00702	0.4
554.53308	0.4
570.49756	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.7
55.01853	1.7
55.05497	2.4
57.03405	1.4
57.05098	0.3
57.07060	0.4
57.96192	0.3
59.04992	0.3
60.08133	0.4
61.02901	1.6
67.05482	3.8
67.11340	0.3
68.31510	0.3
69.03416	4.0
69.07052	5.4
71.04971	0.7
71.07354	0.4
73.02879	1.3
74.09698	0.3
74.31028	0.3
76.56297	0.3
78.04689	1.4
79.05476	5.9
81.03406	3.3
81.07036	8.1
83.04940	2.0
83.08592	1.5
85.02887	10.7
85.06503	2.9
86.09689	5.1
87.04433	0.6
87.10002	1.6
91.03897	0.6
91.05460	7.7
92.05711	0.4
92.08574	0.3
92.09000	2.4
93.07019	5.6
94.07360	0.8
95.04951	3.7
95.08587	7.1
97.02872	4.2
97.06512	2.6
97.10107	0.6
99.04435	1.5
99.08044	0.5
103.05433	2.0
104.10728	0.5
105.03372	9.5
105.07008	8.6
106.04187	0.6
106.07382	0.6
107.04283	0.5
107.04939	9.1
107.08560	5.2
107.53573	0.3
108.08881	0.5
109.02862	2.8
109.06482	2.4
109.10120	4.5
110.10448	0.6
111.04465	0.5
111.08071	0.5
111.11651	0.7
115.03896	0.5
115.05424	3.1
116.70636	0.4
117.03327	0.3
117.06988	5.1
118.04188	0.5
119.04903	1.9
119.08556	4.6
120.08874	0.7
121.06475	11.2
121.10120	4.4
122.10406	0.4
123.04411	5.8
123.08045	1.7
123.11657	2.1
124.05199	2.9
124.12009	0.4
124.99976	4.6
125.05956	0.7
127.03873	2.5
128.06184	3.3
129.06978	5.8
131.04919	2.7
131.08516	3.2
133.04918	0.6
133.06473	4.7
133.10086	3.3
134.07225	0.5
135.04373	0.4
135.08037	0.6
135.11641	2.4
137.05946	3.6
137.13258	0.6
141.07057	1.1
142.07765	0.5
143.08536	4.1
145.02847	0.4
145.04921	1.6
145.06508	2.4
145.10095	2.1
146.07259	0.6
147.04395	1.9
147.08072	0.8
147.11662	2.6
148.05150	0.7
148.12016	0.7
149.05952	0.7
149.09605	3.2
149.13208	1.8
151.03906	1.2
151.07507	0.7
151.11151	1.6
152.04652	3.2
153.05392	0.8
155.08577	0.4
157.06465	6.5
157.10118	1.3
159.08054	2.3
159.11626	1.9
161.05960	8.7
161.09572	4.3
161.13243	1.3
162.13527	0.4
163.03880	0.5
163.07446	1.4
163.14868	1.2
165.07059	0.4
167.06999	100.0
169.06416	0.6
169.10184	0.5
171.08023	3.2
171.11591	0.4
173.05899	0.4
173.09552	0.4
173.13306	0.5
174.06755	4.0
175.07532	0.7
175.11098	0.8
175.14812	0.6
176.04645	0.7
177.05524	1.4
177.09067	22.8
177.16328	0.6
180.08691	0.4
181.05035	0.5
181.08545	3.2
181.09940	0.4
184.07301	11.9
185.07668	2.4
186.07817	0.6
188.08247	1.4
189.09079	14.5
191.06998	5.2
191.08525	0.8
193.08575	10.9
193.10301	0.5
193.12178	0.6
193.15810	0.3
194.07256	0.3
195.08011	0.6
195.10081	0.4
201.09053	4.1
203.10593	7.4
203.17940	0.5
205.15819	1.3
208.08797	1.4
211.13234	0.4
219.07970	1.9
219.10014	1.1
220.08777	0.5
221.18987	0.6
223.11182	0.8
225.08968	0.6
233.09711	0.4
235.07388	0.4
235.11237	0.7
236.08243	0.8
247.07520	1.5
248.08324	0.8
251.10561	0.7
253.08466	0.6
259.09708	0.4
263.10516	1.6
264.07764	0.4
265.08438	0.6
277.08685	0.6
279.10181	1.4
280.11057	0.6
281.08301	0.4
283.13150	2.4
287.05585	0.8
291.10156	2.5
295.13034	0.5
299.09052	1.3
308.10400	0.5
311.12769	1.8
314.11356	1.4
319.22955	0.4
319.26141	2.4
323.12662	3.8
328.13055	4.4
336.25656	0.4
337.27423	2.6
343.15332	19.5
354.27081	0.4
355.15369	13.3
355.28250	1.3
357.16998	1.6
373.16351	1.4
373.29330	0.7
418.16110	0.4
489.32199	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	552.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	0.8
53.03941	0.7
55.01859	0.9
56.04986	0.4
57.03426	27.6
59.04996	0.8
61.02907	8.1
65.03918	0.9
69.03413	42.1
70.06583	0.5
71.01324	4.9
71.04958	1.2
73.02897	47.2
73.80152	0.5
79.05475	1.2
81.03405	5.9
83.04948	2.1
85.02888	42.4
87.04456	4.5
91.03905	2.2
91.05458	74.9
92.08799	2.9
95.04939	2.5
97.02865	100.0
99.04420	2.7
103.03915	2.3
105.03363	18.8
105.07005	3.6
106.03719	2.9
106.81443	0.5
107.08583	1.0
109.02830	3.7
111.04414	1.0
115.03902	36.2
116.36125	0.5
117.07066	0.6
119.04890	1.0
123.04410	2.8
127.03892	8.5
128.59422	0.5
129.06946	0.8
131.08528	0.7
133.04964	6.0
133.06485	1.2
139.03854	1.9
145.04939	8.4
145.06506	0.9
147.04404	1.1
149.04453	1.0
151.03899	0.7
157.04944	1.2
161.05859	0.8
163.05984	3.0
191.06915	0.9
193.04918	0.7
205.08594	1.0
211.05971	12.0
217.08604	1.0
223.05989	2.3
229.06981	6.2
235.09700	0.7
240.34380	0.6
241.07076	2.7
249.07567	0.8
253.10596	2.5
259.08197	3.7
265.09109	4.4
267.08572	4.6
268.08920	1.3
271.11807	0.7
292.63074	0.6
295.07117	1.0
295.10181	16.6
311.53827	0.7
351.03516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60768	0.6
53.03926	0.7
55.01861	0.7
55.05497	3.7
57.03416	3.7
65.58690	0.7
67.05482	6.9
69.03422	5.6
69.07050	5.5
71.04967	3.0
73.02894	1.3
73.06027	0.6
79.05468	6.2
81.03399	2.7
81.07037	15.9
83.04958	4.2
85.02892	8.0
85.06533	1.4
91.05447	9.5
92.65063	0.6
93.07022	12.6
95.04948	4.2
95.08580	9.6
97.02850	4.0
97.06480	1.5
99.00748	0.7
99.04417	1.2
99.08046	2.9
105.03378	6.1
105.07001	26.4
107.04929	3.5
107.08571	15.1
109.02850	1.3
109.06490	7.9
109.10140	7.0
110.07173	0.8
111.08057	1.4
111.10747	0.6
115.05462	0.8
117.06985	5.4
119.04906	1.2
119.08543	23.4
119.60577	0.6
119.64331	0.6
120.08915	1.5
121.06490	5.6
121.10133	10.3
123.08018	7.7
123.11684	1.7
125.09600	1.6
127.03874	1.4
127.08613	0.8
129.06990	7.7
131.08549	25.5
132.08891	1.3
133.06429	2.7
133.10097	18.3
134.10445	1.0
135.08014	6.9
135.11656	4.3
137.08635	1.0
137.09601	13.5
138.09927	6.5
141.06982	0.7
142.07761	0.8
143.08549	13.5
144.09109	3.4
145.04926	0.8
145.10115	19.7
147.04375	1.7
147.07974	1.4
147.11647	9.8
149.09586	12.0
149.13231	4.3
149.81038	0.8
151.07559	0.8
151.11136	4.6
153.09067	3.1
155.08528	1.4
156.09297	3.0
157.10118	7.0
158.10870	7.5
159.08002	1.3
159.11603	8.5
161.09625	2.8
161.13245	9.0
163.11191	1.4
163.14807	4.4
168.09320	1.3
169.10104	3.2
170.10861	0.9
171.11647	48.1
173.09637	1.7
173.13228	38.2
173.14723	1.3
174.13562	9.3
175.07523	0.9
175.11206	1.7
175.13580	0.8
175.14830	12.4
176.15137	0.8
177.05408	0.8
177.12683	0.9
179.10603	0.7
181.10002	0.8
182.10818	0.9
183.11629	5.8
185.13229	4.7
185.83081	0.8
187.11157	0.9
187.14757	3.8
189.12706	56.8
191.14265	13.1
192.14655	1.1
193.15793	1.5
197.13223	1.0
199.14796	1.6
201.12746	14.1
203.14316	1.6
207.13867	1.2
209.13501	1.0
209.15332	17.4
211.14760	1.1
213.12717	1.5
215.14346	1.5
217.12175	3.1
217.15828	1.0
219.13773	29.7
219.15802	1.4
227.16388	2.8
229.15767	0.9
231.13808	3.4
233.15349	1.2
389.12204	0.7
451.28232	2.5
469.29544	8.3
487.30460	100.0
488.30682	1.0
505.31476	7.0
533.30963	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	551.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24571	0.8
52.53970	0.9
55.05500	1.1
57.03432	1.8
60.08160	0.9
67.05501	2.2
69.07058	1.6
69.39536	1.0
79.01600	6.6
79.05505	3.8
81.07034	1.8
86.09689	6.4
86.44642	1.0
93.07022	2.0
95.04948	2.2
95.08595	2.5
104.10718	9.2
105.03390	1.8
105.07016	2.2
105.11070	1.2
107.08570	2.0
109.10175	1.8
119.08578	1.7
122.00101	1.0
124.99954	2.2
131.08519	1.2
135.08076	1.3
138.02864	2.3
139.03638	8.9
144.69743	1.0
147.11743	1.0
153.05240	2.2
169.99387	1.1
184.07278	13.6
189.11568	1.1
209.11456	1.0
211.05829	2.4
223.13112	6.9
245.05104	1.1
251.12466	10.7
267.12119	5.0
281.13641	1.8
295.15222	1.2
302.11041	1.3
307.15118	10.5
318.28537	1.1
323.14642	5.0
337.16248	5.1
366.16559	2.5
376.66318	1.6
379.17084	12.1
449.24973	5.1
491.26138	1.6
533.27014	2.1
551.28107	100.0
552.28680	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07399	0.5
53.00286	0.8
53.03948	0.5
55.01858	2.4
55.05500	6.7
57.03429	4.4
57.07057	3.0
57.48486	0.5
58.75594	0.4
59.04982	2.3
61.02915	2.6
67.05491	7.3
68.99786	0.6
69.03411	9.1
69.07051	11.2
70.06569	0.9
71.01369	0.5
71.04965	4.6
79.05479	8.8
81.03407	4.5
81.07033	18.9
83.04962	8.4
83.08597	5.7
85.02885	19.3
85.03367	1.1
85.06528	7.9
91.05460	10.3
92.09130	2.6
93.07018	25.1
95.04946	6.0
95.08002	1.2
95.08578	24.2
97.02857	3.6
97.06510	5.1
97.10130	1.2
99.04446	1.4
99.08073	17.1
105.03397	1.4
105.07006	14.6
107.04942	7.5
107.08572	54.2
109.02836	0.7
109.06499	12.0
109.10132	17.5
111.04416	1.0
111.08075	4.8
117.06994	3.6
119.04911	4.2
119.08553	17.9
121.06482	20.0
121.10115	38.2
123.08043	20.1
123.11669	4.6
125.05957	2.8
125.09595	7.9
127.03866	2.5
129.07011	0.8
131.08539	13.4
133.10092	22.8
135.08031	16.5
135.11667	4.3
137.09584	7.5
139.07539	2.4
139.11160	3.8
142.72023	0.5
143.08588	0.8
145.02846	0.9
145.04948	2.2
145.10086	5.7
147.04399	3.9
147.11653	9.9
149.09589	75.7
149.13226	19.7
151.11151	24.8
153.09050	7.5
154.09804	0.9
158.10889	2.5
159.11656	0.6
161.13196	0.7
163.11119	3.4
163.14781	21.6
167.14288	0.8
171.11650	1.0
173.13219	21.8
175.03860	3.4
175.14754	5.4
177.05452	1.3
191.12505	0.9
191.14273	46.9
207.06538	5.6
209.15326	100.0
210.15692	1.1
227.16365	5.3
428.67993	0.6
431.43790	0.7
487.30182	0.9
493.11975	0.6
547.56598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.01859	1.6
55.05494	11.3
57.03432	11.2
57.07056	6.3
59.04985	3.1
61.02896	7.4
67.05481	10.2
69.03414	26.6
69.07066	21.2
71.04983	12.5
73.02907	3.2
74.40936	1.4
79.05469	14.4
81.03385	6.3
81.07039	34.1
83.04963	15.2
83.08599	12.6
85.02894	78.2
85.06527	7.7
86.04731	1.4
86.35561	1.3
87.04424	1.7
91.03915	1.9
91.05468	13.4
92.08832	3.0
93.07021	35.3
95.04945	49.9
95.08585	20.7
97.02880	21.3
97.06505	46.5
99.04443	10.4
99.08037	6.7
105.07014	40.0
107.08575	55.0
107.92709	1.5
109.02867	7.9
109.06502	85.5
109.10151	24.9
111.08053	10.8
113.09629	2.0
115.07523	11.7
117.06954	2.6
119.08551	30.9
121.06440	2.8
121.10131	46.7
123.08010	14.5
123.11694	11.6
125.02440	1.7
125.09602	8.0
127.03877	14.0
127.07574	5.9
131.08553	26.2
133.10110	86.5
135.08038	17.7
135.11678	7.2
135.19002	1.6
137.09587	6.3
139.11172	6.9
143.08479	1.7
144.09224	2.3
145.04935	13.0
145.10101	9.3
147.11658	56.2
148.14000	1.4
149.09572	3.0
149.13228	19.0
151.11160	12.0
153.09085	30.5
158.10855	9.9
161.13165	1.8
163.05965	6.3
163.11075	1.9
163.14845	15.0
165.12688	6.2
167.14236	3.2
173.13214	47.8
175.14743	5.8
176.15157	2.7
181.05005	1.9
191.14291	58.6
207.13736	1.7
209.15341	98.2
227.16373	100.0
233.61487	1.4
250.24336	1.7
252.95102	1.6
371.52985	1.6
374.59546	1.4
379.63470	1.7
389.21286	1.7
565.36017	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73694	0.2
74.02414	1.1
91.05398	0.4
92.09200	1.4
98.97591	0.3
109.45644	0.3
111.58089	0.3
115.05451	1.0
117.05743	0.4
117.07001	1.2
118.06518	20.7
118.71821	0.3
120.94106	0.3
130.06473	1.8
132.08083	6.4
142.06500	2.3
143.07269	2.1
144.08061	16.5
146.05989	86.8
147.06317	0.3
149.22183	0.3
159.09143	9.2
160.07562	1.3
167.07039	0.3
170.05992	6.1
188.07033	100.0
189.07388	0.6
205.09688	28.1
231.70338	0.3
353.58896	0.3
396.94659	0.3
400.13043	0.3
530.72351	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02291	0.4
53.03928	0.5
54.81181	0.5
55.01867	4.0
55.05502	0.6
57.03423	0.8
57.07014	0.4
62.94482	0.4
65.03899	0.6
67.05496	0.5
69.03401	3.4
69.07064	0.7
69.76267	0.4
71.04972	5.9
71.27209	0.4
79.05476	13.2
81.03407	1.0
81.07041	2.9
85.02888	11.3
85.06524	0.9
91.05468	7.2
92.08648	0.6
92.09161	1.5
93.07030	2.0
95.04934	3.5
95.08584	2.4
97.02905	3.5
99.04437	16.2
99.30049	0.5
103.04753	0.9
103.05449	26.8
105.03406	0.9
105.07014	100.0
106.07308	0.8
107.04970	2.1
107.08566	5.9
109.02885	0.9
109.06503	1.1
109.10158	3.4
109.28867	0.5
113.09628	0.5
115.05442	20.5
115.06249	0.8
118.04135	12.1
119.04929	3.1
119.08599	4.3
120.44141	0.5
121.06492	0.8
121.10110	4.2
123.08047	2.1
123.11688	2.7
125.09590	1.1
127.03915	1.0
130.04153	1.1
131.04903	17.4
131.08565	2.8
132.05725	1.0
133.02846	1.0
133.06470	82.9
133.10112	5.1
135.08011	1.1
137.05931	1.1
143.05026	0.8
143.06006	5.8
145.02878	0.7
145.04922	0.7
145.06474	0.7
145.10139	1.1
146.03580	0.8
146.10692	0.6
147.04410	4.1
147.11690	1.1
148.05182	8.8
149.05891	0.7
149.09631	2.4
149.13255	2.4
151.11166	2.0
153.09042	0.7
158.10875	0.6
161.05946	90.1
162.06273	1.0
163.07516	16.0
169.12227	1.1
171.11607	0.8
173.06006	0.8
173.13226	3.7
175.14832	0.9
176.04671	1.9
179.07068	0.7
183.13759	3.1
191.06996	50.1
191.14273	5.5
192.14668	0.9
193.08571	28.6
209.15341	3.8
219.13800	0.6
227.16376	10.4
233.31018	0.5
487.30640	0.7
519.14648	0.6
529.02228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51896	2.4
53.11852	2.2
55.01872	21.4
55.05506	29.7
57.03434	30.3
57.07054	6.8
58.96468	2.7
67.05146	4.4
67.05494	96.4
69.07053	34.9
71.04964	4.1
71.89134	2.6
79.05473	80.9
81.03417	3.0
81.07042	78.3
83.04961	45.0
83.08597	11.3
91.05466	37.5
92.08817	16.2
93.07021	100.0
95.04993	9.6
95.08582	60.5
97.06517	21.2
97.10154	3.8
105.07011	20.0
107.08582	64.8
109.06516	4.0
109.10139	24.5
111.08048	5.0
112.28167	2.7
117.07005	12.3
117.80171	2.7
119.08552	18.1
121.10120	27.3
131.08539	10.9
133.10092	6.7
135.08101	2.9
135.11668	54.3
145.10104	13.4
149.13269	5.7
153.12715	16.9
157.19194	2.9
158.39375	2.6
168.97234	2.6
181.12195	12.5
184.12505	2.9
198.56731	3.1
210.88000	2.6
232.18166	3.2
255.15871	73.9
261.22079	5.9
266.33167	2.8
335.25729	71.9
338.10172	3.2
341.40900	3.0
515.37311	65.0
550.62463	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	550.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36182	2.1
55.05502	75.1
55.07978	2.2
57.03418	12.2
57.07071	41.6
60.08133	2.5
61.02909	12.2
67.05492	72.4
69.07057	95.4
70.06571	2.9
71.08613	21.8
73.95428	2.3
75.04483	2.7
79.05473	36.5
81.03381	12.2
81.07042	88.9
83.04959	2.7
83.08605	80.5
85.02886	10.4
85.10164	10.3
86.09683	16.8
91.03929	5.2
91.05447	10.8
92.08994	29.0
93.07017	50.5
95.04918	2.8
95.08590	82.3
97.02878	2.9
97.06513	15.8
97.10155	43.9
104.10693	19.6
105.07030	6.2
107.08591	43.4
109.10133	51.4
111.08057	12.4
111.11701	13.3
119.08531	5.5
121.10121	63.5
123.11690	18.8
124.99979	5.6
125.09548	3.3
135.11661	46.8
137.13260	4.4
139.11156	4.0
143.08533	3.1
145.10017	4.3
149.13257	21.2
163.14775	5.6
165.16287	4.1
184.07350	23.9
191.17773	3.0
234.23839	3.2
256.26315	10.2
261.25720	40.8
279.26788	87.3
297.27866	15.1
353.30453	100.0
371.31390	41.1
550.38483	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	550.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42036	0.3
53.03926	0.5
54.81283	0.3
55.01848	0.6
55.05500	3.3
56.05022	0.5
57.03424	2.1
57.07066	0.4
57.60046	0.3
59.04984	0.5
60.08147	9.0
61.02935	0.4
67.05495	4.8
69.03407	2.5
69.07059	5.1
71.04974	0.6
71.07359	4.2
71.08603	0.4
76.70103	0.4
79.05471	3.4
81.03392	3.3
81.07040	13.9
82.03728	0.4
83.04958	1.9
83.08602	3.5
85.02881	4.4
85.06522	2.0
86.09692	46.6
87.04451	2.4
91.05458	3.1
93.07027	6.5
95.04905	1.4
95.08589	9.2
97.02863	1.6
97.06511	1.6
97.10166	0.5
98.98432	3.6
99.08059	3.2
104.10732	13.7
105.03361	1.8
105.07014	7.8
107.08579	5.9
109.02896	0.5
109.06503	3.2
109.10136	7.4
111.08050	1.6
112.03580	0.4
119.08573	6.2
121.10098	3.7
123.08015	2.9
123.11694	1.9
124.99990	30.9
125.09608	0.9
127.03899	0.5
127.07537	0.8
129.06956	0.6
131.08525	0.7
133.10121	3.9
135.08049	0.4
135.11668	4.1
137.09601	2.2
137.13210	0.9
139.11194	0.6
142.07747	0.5
143.01019	0.4
143.08621	0.7
145.04929	0.4
145.10149	3.5
147.11688	3.9
148.35535	0.4
149.13219	1.6
151.11151	2.3
153.05562	0.4
153.12718	0.4
159.11687	1.6
161.13239	10.3
163.11160	0.4
163.14786	1.5
165.12762	0.7
171.11678	0.9
173.13255	0.5
177.12677	0.5
179.14262	1.7
184.07309	100.0
185.07715	0.4
185.13313	0.5
187.14786	0.4
189.12738	1.7
189.16339	0.8
191.18008	0.6
203.17894	0.6
207.13744	4.7
207.17567	0.4
221.18922	0.5
237.18517	1.7
243.15875	2.5
255.19524	2.4
267.15863	0.8
268.16193	0.5
269.16498	0.5
271.97610	0.4
299.23682	0.7
317.24466	0.9
324.71945	0.4
335.25781	12.5
353.26791	13.8
371.27945	3.4
452.23965	1.5
532.30121	2.4
550.31238	5.3
562.32227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04189	0.9
53.00281	1.0
53.03939	1.5
54.12003	0.9
55.01847	1.5
55.05501	12.4
57.03418	4.9
57.07066	5.1
60.08152	5.4
63.69085	0.9
67.05492	19.2
69.03412	13.9
69.07050	22.8
71.04973	4.8
71.07354	1.1
73.02882	1.1
78.06133	0.9
79.05469	17.7
81.03393	7.9
81.07035	72.7
83.04966	19.2
83.08591	9.1
85.02882	10.2
85.06521	10.1
86.09689	30.1
87.04468	1.0
91.05449	14.9
92.08863	7.5
93.07019	38.0
95.04959	11.2
95.08582	43.9
97.02876	7.3
97.06509	9.2
97.10151	5.2
98.98418	1.1
99.04444	5.6
99.08054	1.8
101.06019	1.5
104.10719	7.8
105.03367	24.1
105.07012	61.5
106.07370	1.5
107.04930	1.8
107.08575	53.8
108.08840	1.1
109.02883	1.6
109.06499	17.2
109.10136	42.4
109.10856	1.9
111.04407	1.0
111.08092	4.0
111.11714	1.9
111.44116	0.9
113.05933	1.2
115.03909	1.5
117.06992	1.7
119.08548	35.9
121.06490	2.5
121.10113	39.0
123.04381	1.9
123.08077	9.4
123.10777	1.7
123.11677	48.9
124.99981	20.9
125.05964	2.0
125.09599	2.3
127.03881	3.8
127.07523	6.8
127.11176	1.4
129.06964	1.6
131.04875	1.1
131.08516	10.5
132.08871	1.4
133.06525	1.3
133.10100	32.9
135.08093	4.3
135.11665	30.1
137.05966	1.4
137.09613	5.4
137.13254	6.3
139.03891	1.7
139.11153	4.4
143.08560	4.4
145.02827	2.1
145.10098	11.4
146.10428	1.2
147.04384	3.7
147.08069	1.7
147.11664	100.0
148.12065	1.2
149.09601	16.8
149.13245	7.3
151.11182	16.7
153.09088	1.4
153.12778	1.8
157.10104	4.2
159.08000	1.8
159.11652	9.2
161.09564	1.7
161.13268	10.5
163.03853	1.6
163.06046	1.1
163.11183	6.6
163.14819	4.6
165.12706	52.1
167.07011	2.2
167.10709	2.0
169.12180	3.9
171.11778	1.3
173.09665	1.5
173.13239	6.9
174.13681	1.6
175.11131	8.8
175.14700	8.3
177.05443	1.7
177.09091	1.6
177.12730	4.2
177.16324	2.3
179.14275	1.1
181.12270	2.3
184.07304	52.2
185.13142	1.3
187.14790	4.8
189.09038	1.3
189.16316	1.7
191.17856	1.3
193.12206	48.6
195.13791	4.2
196.75864	1.0
199.14812	1.9
201.16454	1.6
203.17912	9.2
207.13799	2.0
211.13138	1.4
211.14923	1.5
213.14709	1.3
217.19456	1.4
221.18849	3.2
229.14259	24.4
239.19992	1.4
257.26544	1.2
277.21710	1.8
289.21985	1.3
299.23526	1.7
317.21323	3.9
317.24680	72.3
335.22437	3.5
335.25735	70.0
353.23132	3.3
353.26852	13.7
371.27722	2.1
476.75543	1.1
514.31854	1.3
532.30841	1.5
550.33020	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.2
54.81516	0.3
55.05503	3.4
57.03417	0.7
57.07063	0.5
59.05013	0.4
60.08152	10.1
67.05492	3.9
69.03413	2.5
69.06715	0.5
69.07055	10.8
70.00523	0.3
71.01316	0.3
71.04957	1.3
71.07360	3.8
79.05480	3.8
81.03384	1.8
81.07037	12.8
83.04951	1.9
83.08578	2.2
85.02888	3.9
85.06508	2.0
85.06944	0.3
86.09689	49.5
87.04462	0.3
91.05450	2.7
93.07020	6.8
93.71581	0.3
95.04932	2.0
95.08587	9.8
97.02845	0.6
97.06489	2.0
97.10156	0.5
98.98437	3.5
99.04412	0.6
99.08067	2.0
101.05988	0.4
104.10721	12.2
105.03405	2.2
105.07005	8.7
107.08573	8.0
109.02845	0.5
109.06528	2.9
109.10141	9.6
111.08052	1.3
111.11690	1.7
119.08552	6.3
121.06467	0.5
121.10130	5.4
123.08048	2.5
123.11671	6.2
124.99980	34.5
125.05964	0.4
125.09650	0.5
127.03856	0.6
127.07543	1.1
127.11177	1.9
129.06941	0.5
131.04924	0.4
131.08553	1.5
133.10089	3.8
135.11679	4.0
137.05980	0.4
137.09561	0.7
137.13235	0.7
139.03883	0.5
139.11179	0.3
145.02800	0.6
145.10092	2.4
147.04366	0.7
147.08086	0.4
147.11671	11.5
149.09581	1.4
149.13228	1.2
151.11148	3.7
153.12695	1.2
157.10172	0.4
159.11668	1.5
161.09706	0.4
161.13219	5.6
163.03911	2.3
163.11130	1.3
163.14806	0.6
165.12727	6.9
165.60158	0.3
171.11694	0.6
173.09576	0.3
175.11168	1.5
175.14731	0.8
177.05486	0.4
177.12700	1.2
178.83112	0.4
179.10693	0.5
179.14247	1.4
180.75632	0.3
181.12161	0.5
184.07304	100.0
189.12671	0.6
193.12212	5.0
195.13779	0.4
199.07410	0.3
203.17938	0.6
205.15887	0.3
207.13802	2.8
219.17337	0.5
221.18968	0.5
229.14349	1.9
237.18529	0.6
243.15842	2.2
255.19502	1.3
299.23593	0.5
317.24625	3.0
335.22339	0.5
335.25751	11.5
353.22525	0.7
353.26797	15.9
371.27817	5.9
388.11386	0.4
424.04675	0.3
438.21887	0.4
492.27118	0.4
532.30359	2.2
550.31201	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	550.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	11.9
57.03411	5.3
57.07048	3.8
60.08140	15.7
67.05487	16.4
69.07052	17.2
71.07364	6.0
79.05461	22.5
81.07047	35.1
83.04991	4.6
83.08564	4.8
83.66998	3.1
86.09685	39.3
91.05444	33.7
92.08888	20.8
93.07013	43.3
95.04948	7.4
95.08588	61.2
99.20621	3.4
104.10723	60.5
105.03481	3.5
105.07014	55.5
107.08583	65.5
109.06536	10.8
109.10133	24.5
117.07007	16.9
119.04880	3.7
119.08572	100.0
121.10108	54.9
123.08055	5.9
123.11689	6.3
124.99948	29.0
129.06937	4.3
131.08534	36.9
133.06456	4.7
133.10092	51.4
135.08031	12.1
135.11664	21.2
142.07742	5.7
143.08540	20.8
145.10110	63.0
147.08015	3.3
147.11667	35.3
149.09584	7.6
149.13272	14.4
151.07597	4.4
153.09088	4.0
155.08455	6.1
157.10129	20.6
159.11690	44.6
161.09547	7.7
161.13226	21.4
163.07506	4.5
163.11113	4.4
163.14796	19.3
171.11668	32.7
173.09569	6.4
173.13240	21.7
175.11160	7.5
175.14769	25.0
177.08992	3.9
177.16336	23.9
183.06497	42.6
184.07333	55.4
185.13261	7.7
187.11115	5.6
187.14777	85.6
189.12727	17.6
189.16336	44.6
191.10718	4.9
191.17896	5.4
199.11223	5.1
199.14847	7.7
201.16350	42.0
203.14305	4.4
203.17899	18.0
207.13731	4.8
213.16467	7.7
215.17937	20.7
229.15723	3.9
233.72000	3.7
235.16943	6.8
241.19427	4.5
247.16899	7.9
261.18643	3.9
267.15799	12.9
377.28082	5.8
405.27545	3.9
423.28793	24.6
441.29904	57.5
469.29349	48.2
487.30511	56.3
515.23077	5.4
515.29987	92.2
520.36707	3.4
533.30652	14.9
550.31055	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	550.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12062	0.8
51.29306	0.8
52.71146	0.9
53.03937	2.4
54.81738	0.8
55.01864	4.2
55.05501	12.7
57.03422	11.7
57.07064	2.4
59.04994	1.8
61.02911	2.2
64.65996	0.9
67.05491	23.2
69.03076	1.2
69.03416	27.2
69.07051	17.1
70.06557	1.4
71.04971	8.0
73.02905	1.3
73.06544	1.1
75.04438	1.1
77.42557	0.9
79.05468	13.7
81.03384	6.3
81.07034	36.8
83.04955	4.8
83.08577	7.7
85.02366	1.1
85.02881	35.0
85.06498	4.0
87.04451	9.8
91.05453	21.8
92.84356	1.1
93.07021	27.3
94.66887	1.0
95.04934	9.7
95.08575	47.6
96.55837	1.1
97.02856	19.0
97.06502	2.1
97.10126	1.0
99.04395	3.9
99.08061	12.2
101.05999	1.3
105.03368	21.0
105.07007	70.8
107.08570	32.0
109.02846	2.4
109.06494	33.2
109.09383	1.9
109.10132	48.5
111.04391	1.4
111.08083	2.0
115.03898	11.0
117.07027	3.6
117.48421	1.4
119.04919	4.3
119.08548	79.4
120.08157	1.1
121.06477	2.5
121.10106	27.5
122.66705	1.0
123.04423	2.3
123.08015	7.8
123.11669	49.5
125.09604	6.2
127.03876	6.9
127.07524	9.3
129.06931	2.2
131.08530	20.3
133.04948	9.5
133.10097	46.9
135.08008	20.4
135.08937	1.2
135.11636	9.4
136.07506	1.6
137.09552	4.7
143.08487	4.1
143.10652	2.7
145.02856	1.3
145.04932	5.2
145.10065	13.6
147.04369	1.9
147.08046	1.8
147.11655	69.6
148.19591	1.1
149.05997	1.4
149.09595	5.0
149.13248	5.3
150.07558	1.4
151.11131	4.2
157.10094	2.0
158.10913	1.9
159.08026	1.5
159.11671	5.8
160.12430	2.3
161.09576	4.8
161.11993	1.8
161.13210	15.8
163.05878	1.3
163.11238	1.7
163.14758	1.2
165.12630	1.5
169.10004	1.1
171.11670	1.6
173.09595	1.3
173.13235	14.7
175.03821	4.1
175.11038	1.8
175.14734	4.9
184.03307	1.0
185.13196	1.9
189.12733	4.4
191.14233	23.0
201.16266	1.2
203.17903	100.0
207.06479	7.2
207.08170	1.2
207.13806	5.4
208.14149	4.0
209.15323	25.4
221.18929	8.3
235.16989	1.2
249.07498	5.1
249.58134	1.1
267.08646	4.3
299.20020	4.5
317.20926	6.8
335.22131	8.1
497.27026	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.1
56.04995	0.2
58.06572	0.4
60.08152	9.3
60.26942	0.2
60.35767	0.2
63.01502	0.2
67.05476	1.7
67.05798	0.2
69.03365	0.3
69.07040	0.6
70.05233	0.3
70.06567	0.3
71.07355	3.3
79.05457	1.7
81.03368	0.4
81.07046	2.1
83.04927	0.4
86.09688	45.6
91.05433	1.2
93.06996	1.2
95.04945	0.6
95.08582	1.2
98.98448	3.8
104.10105	0.4
104.10728	5.9
105.03371	1.3
105.06988	1.7
107.08564	1.1
108.21410	0.3
108.29159	0.3
109.10097	0.6
117.07028	0.4
119.08533	1.3
121.10126	0.6
124.99977	34.1
129.07007	0.4
131.08542	1.0
132.10309	0.3
133.10101	1.2
136.12015	0.3
143.00940	0.3
145.10135	0.6
147.08034	0.3
147.11665	0.4
149.13339	0.3
159.11638	0.5
184.07301	100.0
262.75818	0.3
532.29865	1.7
550.31427	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	550.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.8
56.05021	0.3
60.08155	8.9
67.05479	0.8
69.07063	0.6
71.07361	3.3
79.05474	0.8
81.07040	2.1
83.04959	0.5
83.08617	0.3
85.02902	0.4
86.09696	41.3
87.85662	0.3
91.05460	1.5
92.08979	2.0
93.07034	1.3
94.32211	0.3
95.04935	0.8
95.08598	1.5
98.98465	3.5
104.10116	0.4
104.10751	5.7
105.03378	1.4
105.07020	0.8
107.08563	1.6
109.10149	0.6
111.98688	0.3
113.64094	0.3
117.06991	0.4
119.08536	0.9
121.10167	0.6
123.11633	0.4
124.99984	31.8
129.68405	0.4
131.08513	0.5
133.10106	0.5
135.11697	0.6
135.95003	0.3
143.01033	0.4
145.10075	0.7
147.11562	0.5
154.15747	0.4
169.10216	0.4
184.07315	100.0
185.07228	0.4
187.14822	0.3
301.51413	0.3
478.27707	0.4
532.30219	1.3
550.31573	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	550.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.3
55.01852	0.6
55.05505	3.2
56.05038	0.3
57.03418	2.2
57.07053	0.5
59.04978	0.5
60.07863	0.4
60.08151	10.5
67.05489	6.4
69.03410	2.4
69.07049	5.4
71.04953	0.4
71.07356	4.0
74.90367	0.3
79.05478	4.0
81.03387	3.2
81.06601	0.7
81.07039	15.8
82.03712	0.6
83.04952	1.7
83.08600	3.4
85.02880	4.4
85.06528	2.1
86.09686	46.9
87.04443	2.5
91.05466	3.1
93.07014	6.4
94.07295	0.4
95.04931	2.0
95.08577	9.0
97.02857	1.9
97.06512	1.9
97.10154	0.7
98.98441	4.1
99.04428	0.6
99.08076	2.8
104.10720	16.6
105.03363	2.1
105.07007	10.6
107.08565	6.7
109.06518	4.6
109.10136	7.4
111.08068	1.5
119.04854	0.4
119.08553	7.5
120.08891	0.4
121.06426	0.6
121.10091	4.3
123.07993	2.4
123.11680	2.1
124.99970	35.1
127.07515	0.7
129.07001	1.3
131.08505	2.1
133.04951	0.4
133.10107	4.0
135.08031	0.4
135.11662	5.5
137.09563	1.7
137.13257	0.8
141.09134	0.4
143.01067	0.5
143.08510	0.6
145.06470	0.3
145.10129	3.2
147.04370	0.6
147.11664	3.9
149.09598	0.5
149.13274	0.5
151.07509	0.5
151.11171	2.8
153.09013	0.4
153.12718	0.8
157.10138	0.7
158.10495	0.3
159.11635	1.8
161.13208	12.3
161.14528	0.7
163.11122	0.4
163.14700	1.2
165.12686	0.7
171.11600	1.5
173.13249	0.7
174.35069	0.3
175.14697	0.4
179.14250	1.9
184.07297	100.0
187.14722	0.5
189.12697	1.9
189.16345	0.7
191.17923	0.4
193.12273	0.6
201.16331	0.5
203.17899	0.5
207.13776	5.5
207.17529	0.3
219.17430	0.4
237.18446	1.9
243.15799	2.9
255.19446	2.0
256.87778	0.4
261.18567	0.5
267.15921	0.6
299.23697	1.3
317.24841	2.6
335.21902	0.8
335.25714	14.7
335.29791	0.5
348.40140	0.4
353.26767	17.6
355.22473	0.5
371.27991	4.0
373.23950	0.4
452.23773	0.5
492.26752	0.7
532.30206	2.2
550.31390	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.7
53.03931	7.7
55.01858	6.8
55.05301	0.9
55.05503	14.2
57.03423	12.1
57.07064	9.4
59.04980	2.9
61.02919	11.4
65.03922	5.5
67.05489	20.4
69.03416	43.1
69.07050	19.5
71.04971	12.7
73.02891	6.3
79.05475	14.0
81.03394	20.3
81.07037	38.2
82.07335	1.6
83.01338	1.1
83.04965	36.1
83.08581	2.7
83.87527	1.0
84.22610	1.1
85.02889	100.0
85.06523	9.3
86.09692	1.6
87.04441	9.9
91.03948	4.0
91.05460	22.7
92.08891	6.3
93.07022	29.8
94.07304	1.5
95.04930	16.5
95.08586	29.9
96.08968	1.2
97.02864	41.0
97.06522	12.1
97.10149	2.6
99.04443	10.0
100.07598	16.5
105.03380	27.7
105.07005	35.4
107.04934	6.3
107.08577	40.1
109.02843	18.1
109.06500	14.7
109.10139	35.8
110.03627	1.8
111.04412	5.1
111.08054	2.7
113.37953	1.4
113.59721	1.2
115.03902	6.3
115.64472	1.2
117.03371	1.9
117.07003	5.1
119.04918	17.7
119.08553	29.2
121.02874	1.5
121.06470	10.0
121.10109	27.3
122.07285	2.5
123.04372	1.9
123.08033	26.3
123.11694	8.8
125.05970	2.6
125.09612	8.6
127.03894	29.0
127.07497	1.5
129.06999	1.7
131.04887	2.5
131.08542	15.8
133.04967	2.0
133.06471	4.7
133.10118	27.6
135.08034	34.3
135.11690	11.8
137.05948	6.3
137.09576	14.4
139.11140	6.1
143.08510	5.5
143.10637	2.5
145.02849	6.1
145.04941	19.6
145.06454	2.2
145.10106	21.6
147.04388	40.3
147.08028	5.5
147.11678	21.8
149.05943	5.3
149.09576	15.0
149.13235	4.6
151.07498	5.1
151.11139	2.7
153.05490	6.7
153.09100	1.2
155.08400	1.3
156.09193	1.7
157.10121	11.3
159.08026	6.6
159.11685	13.3
161.05957	4.6
161.09601	7.7
161.13255	9.1
163.03877	1.6
163.07472	1.4
163.11189	4.5
163.14772	2.1
165.09023	6.2
165.12708	15.5
167.07007	6.4
167.10623	4.5
169.10065	2.4
171.11646	5.0
173.09619	4.4
173.13191	9.7
174.06667	1.7
175.07457	2.1
175.11131	7.4
175.14796	6.7
177.05461	13.5
177.09135	2.6
177.12746	2.2
179.10655	1.9
181.08524	1.4
183.11707	2.4
184.07312	2.4
185.13179	6.9
187.11104	2.2
187.14755	6.4
189.12729	7.9
189.16475	1.3
191.10699	1.7
191.14267	61.8
193.08586	1.7
193.15862	6.5
195.10078	1.9
197.13252	2.9
199.11130	1.5
199.14786	2.8
201.12726	5.2
201.16302	2.9
202.16589	1.6
203.14337	1.8
203.17928	9.6
207.13734	2.7
209.15331	6.8
213.12766	1.6
215.14297	7.9
217.15765	2.8
219.13705	1.4
221.19019	5.2
225.12663	1.3
229.15825	2.2
231.13762	2.6
235.07396	1.5
245.15253	2.1
249.07466	1.6
251.10635	1.2
263.16385	2.9
264.07861	1.6
265.08188	2.8
267.08578	2.2
289.21466	1.8
299.19876	5.9
303.04871	4.8
304.05286	4.1
304.69278	1.2
307.09274	2.5
308.09891	2.2
309.10825	1.5
317.21069	23.1
335.22089	72.1
335.25693	4.0
340.12628	7.4
341.13644	1.7
353.23111	15.2
371.20361	5.0
371.24377	1.8
416.23767	1.4
430.72626	1.3
474.70261	1.4
533.25824	95.3
534.26056	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
53.99654	0.5
55.01855	1.4
55.05495	6.1
57.03424	5.3
57.07073	1.3
59.04980	0.8
61.02914	8.9
64.58082	0.6
67.05504	4.4
69.03416	21.6
69.07052	12.6
71.01339	0.7
71.04982	7.8
73.02898	3.4
79.05463	5.6
81.03402	10.1
81.07037	13.5
83.04979	1.0
83.08601	1.4
85.02890	95.8
85.06523	2.5
86.42793	0.6
87.04448	4.0
91.03932	3.9
91.05457	10.8
91.94912	0.6
92.08952	1.1
93.07021	11.4
95.04929	4.9
95.08581	8.2
97.02873	27.6
97.06512	4.5
97.10110	0.6
99.04411	4.2
99.08094	0.9
100.11217	1.1
105.03368	11.0
105.07012	43.4
106.03703	1.1
107.04885	1.1
107.08577	14.5
108.06763	0.6
109.02867	9.5
109.06501	4.9
109.10151	11.9
111.04520	0.5
111.08086	0.8
111.11717	0.8
113.09406	0.6
115.03931	1.4
117.07001	2.9
119.08562	35.8
121.06487	3.7
121.10116	20.4
123.08075	4.7
123.11659	4.8
125.09624	1.0
127.03893	18.9
127.11217	0.9
129.06979	1.3
130.07791	0.8
131.08539	30.9
133.10103	30.2
135.08003	4.5
135.11687	2.6
137.09595	2.9
139.11157	2.5
143.08549	3.1
143.10643	1.0
145.04933	19.1
145.10121	16.4
147.04440	1.1
147.11668	100.0
149.09619	7.7
149.13258	1.5
151.11186	2.3
153.09087	0.8
157.10075	2.8
158.10939	4.4
159.08018	1.3
159.11604	1.0
161.09569	1.5
161.13263	1.3
163.05952	7.0
163.11078	1.4
163.14771	2.5
165.09059	0.9
167.10654	1.0
171.11655	1.2
173.13226	57.1
175.14784	28.6
175.16328	0.7
179.10652	4.0
182.15396	0.8
185.13451	0.6
187.14880	0.8
189.09077	1.0
189.12704	0.7
191.14281	50.6
203.17882	1.0
207.13846	1.1
209.15297	5.2
210.14897	1.1
211.14958	0.9
221.19139	0.7
231.29897	0.6
249.07524	1.2
249.11125	3.6
264.81415	0.6
267.08621	1.4
268.08768	0.8
289.09210	0.7
299.20074	3.3
317.21066	9.9
325.11307	2.6
335.18619	0.9
335.22113	7.0
353.23169	2.9
515.18579	0.8
550.40588	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46449	0.4
53.03926	2.1
55.01845	1.8
55.05494	3.8
55.05721	0.4
57.03428	3.6
57.07051	0.5
57.42660	0.4
59.04973	0.9
61.02921	3.5
61.03170	0.4
65.03896	0.4
67.05499	4.7
69.03413	10.4
69.07050	13.3
69.07413	0.9
70.03744	0.8
71.04964	3.8
71.29635	0.4
73.02882	1.0
79.05472	11.7
80.05795	0.9
81.03394	5.1
81.07036	30.9
83.04967	1.0
83.08594	2.6
85.02889	33.2
85.06156	0.4
85.06534	6.4
86.03216	5.2
86.06855	0.6
87.03310	1.7
87.04447	0.9
87.08119	0.7
91.03955	0.4
91.05462	7.0
92.08694	1.0
92.09228	1.0
93.07021	21.3
95.04930	4.5
95.08580	14.1
97.02866	10.8
97.06523	1.1
98.03196	1.1
99.04423	2.5
99.08031	0.7
103.05433	0.6
105.02681	0.8
105.03375	17.3
105.07011	13.7
106.03694	0.9
107.08576	41.6
109.02859	4.2
109.06501	11.9
109.10137	8.5
111.08091	1.0
115.03907	0.7
117.06988	1.8
119.08549	12.6
121.06473	3.0
121.10122	20.3
123.04401	12.5
123.08028	2.4
124.04756	3.5
125.04882	0.8
125.05962	0.6
125.09619	0.6
127.03883	6.4
128.04236	1.1
129.06961	1.1
131.08545	8.9
133.09180	0.8
133.10112	16.3
135.08057	5.7
135.11658	10.0
137.09587	8.9
139.11157	0.7
143.08539	1.1
145.04942	7.9
145.10092	6.8
146.05304	3.0
147.04378	0.9
147.05450	1.0
147.08000	1.0
147.11653	10.6
149.09601	2.3
149.13217	2.0
149.36244	0.6
151.11163	1.0
153.09041	0.6
157.10039	0.8
158.10863	0.9
159.10339	0.5
159.11664	2.4
161.09575	2.3
161.13182	2.3
163.06020	2.6
163.14786	100.0
164.15161	0.7
165.09119	0.8
171.11783	0.5
173.09601	1.0
173.13225	9.5
177.09067	0.5
185.13264	1.1
187.11118	0.6
187.14706	0.9
191.14272	53.0
205.73012	0.6
209.15373	1.0
213.12703	2.3
227.14207	0.7
229.15971	0.5
231.13715	1.1
247.17139	0.6
249.07510	1.1
253.04941	0.5
267.08566	1.1
271.20477	1.0
286.09933	0.7
294.55872	0.5
299.19919	3.2
317.20999	6.0
323.15097	0.5
335.22012	4.6
353.23550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00266	0.4
53.03925	0.9
54.14991	0.5
55.01841	0.9
55.05490	2.0
57.03411	2.5
57.07060	2.0
59.04978	0.7
61.02914	4.6
67.05479	2.9
68.85856	0.4
69.03413	64.2
69.07036	2.8
71.04962	1.1
73.02891	2.0
79.05465	2.0
81.03400	5.6
81.03785	0.5
81.07037	5.1
83.04970	4.9
83.08585	1.0
85.02888	39.8
85.06525	4.0
85.29163	0.4
86.03247	0.6
91.03925	2.2
91.05436	2.0
92.08815	0.9
93.07007	4.3
95.04949	0.9
95.08015	0.6
95.08583	10.9
97.02859	11.0
97.06511	4.2
97.94707	0.5
99.04407	2.6
101.60423	0.4
105.03353	2.3
105.07018	4.2
106.34639	0.5
107.07861	0.8
107.08573	18.2
109.02852	5.0
109.06495	6.6
109.10120	3.3
111.08061	3.9
119.08539	3.3
121.06470	2.7
121.10104	12.6
123.08025	3.4
123.11681	6.5
125.09602	27.0
127.03873	6.5
131.08531	6.6
133.10095	7.6
135.08028	15.1
135.11670	7.3
137.13173	0.6
143.08569	0.8
145.04956	7.5
145.10095	5.0
147.11650	3.4
149.09593	8.2
149.13216	5.0
151.11177	2.1
153.09081	8.7
158.10867	4.5
158.23665	0.5
161.09500	0.7
163.05991	2.8
163.11182	4.6
163.14764	5.1
164.35947	0.5
165.12720	4.5
165.25185	0.6
173.13213	26.6
191.14268	73.3
192.14677	0.7
209.15323	100.0
210.15773	1.1
229.89209	0.6
301.76834	0.5
303.04932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00611	0.1
53.00303	0.1
53.03939	0.9
55.01866	1.0
55.05508	1.4
57.03423	1.5
57.07064	0.4
59.04986	0.7
61.02913	0.4
63.02367	0.2
67.05494	2.2
69.03409	4.8
69.03751	0.3
69.07046	2.6
71.04975	2.1
72.71241	0.1
73.02895	1.3
73.06553	0.2
73.14956	0.2
78.04698	0.2
79.05485	1.7
81.03395	8.4
81.07036	5.8
83.04974	2.0
83.08602	0.9
85.02885	6.8
85.06519	1.2
86.09681	0.3
87.03891	0.2
87.04443	0.7
89.03889	4.7
91.05451	2.4
92.08784	0.7
92.09352	0.3
93.07014	4.9
93.07565	0.3
94.07348	0.2
95.04945	2.1
95.08583	6.2
95.09199	0.3
97.02877	3.1
97.06514	1.3
97.10146	0.9
99.04424	1.5
99.08082	0.4
100.07602	1.4
101.06004	0.3
103.05465	0.2
105.03363	4.0
105.07013	4.0
106.04176	0.2
107.04947	0.2
107.08578	5.8
108.08924	0.2
109.02860	2.9
109.06491	1.3
109.10134	5.1
110.10452	0.2
111.04417	0.2
111.08060	0.9
111.11700	0.2
113.09618	0.2
115.03915	0.8
117.03352	22.3
117.06999	0.8
119.04928	0.7
119.08549	3.9
120.08995	0.2
121.02871	0.2
121.06498	1.5
121.10116	6.2
123.04427	0.3
123.08027	1.4
123.11676	2.5
124.05188	0.3
125.05958	0.3
125.09597	2.5
127.03933	1.7
131.04881	0.4
131.08536	2.0
133.04984	0.3
133.10074	2.9
134.03619	1.6
135.04391	1.8
135.08006	1.9
135.11688	1.5
135.30327	0.2
137.05951	0.3
137.09573	1.9
139.11165	1.3
141.12849	0.2
143.08514	0.7
143.10652	2.0
145.02824	71.9
145.10069	2.6
146.03119	0.6
146.10376	0.4
147.04408	2.0
147.08029	0.7
147.11668	2.5
149.05962	10.1
149.09593	2.2
149.13232	0.4
151.11163	0.9
157.10104	0.8
159.08037	1.0
159.11687	1.7
161.09558	0.9
161.13228	0.9
162.03053	0.2
163.03856	1.6
163.11140	0.4
163.14790	0.3
165.09157	0.2
165.12752	0.8
167.06995	0.2
167.10629	1.0
169.10056	0.4
171.11647	0.6
173.09549	0.6
173.13243	1.3
175.11166	0.8
175.14796	0.8
177.05428	100.0
177.16321	0.6
178.05797	0.4
179.10661	0.3
183.11566	0.3
184.07268	0.4
185.09438	0.2
185.13199	1.0
186.05498	0.8
187.14842	0.3
189.09026	0.2
189.12639	0.3
189.16316	0.3
191.10539	0.3
191.14291	1.9
195.06473	1.2
195.10095	0.3
197.13249	0.2
198.10399	0.2
199.14798	0.7
201.12711	0.7
201.16353	1.1
202.16631	0.7
203.14401	0.2
203.17914	2.4
207.13763	0.3
209.15387	0.3
215.14430	0.3
217.15857	0.2
219.13820	0.2
219.17421	0.3
221.18947	1.3
229.15857	0.3
239.19986	0.3
245.15262	0.3
247.16878	0.3
263.16510	0.2
267.08551	0.3
271.20416	0.3
281.17059	0.2
289.21448	0.2
299.19861	1.0
317.20981	3.3
321.05795	0.2
321.09573	5.1
323.22043	0.2
334.20816	0.2
335.22086	6.1
335.25870	0.2
339.10669	6.0
353.23181	3.0
371.24167	0.6
413.25882	0.2
533.25873	2.2
549.22467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.01857	0.9
55.05492	2.5
57.03426	3.1
59.04989	3.9
61.02901	2.3
67.05495	7.6
69.03413	6.7
69.07042	0.6
71.04958	1.6
73.02894	0.7
79.05476	3.0
81.03395	4.0
81.07034	4.9
83.04961	2.4
83.08603	0.6
84.66314	0.4
85.02886	16.6
86.06026	0.4
87.04440	0.9
90.74731	0.4
91.03940	0.7
91.05449	5.7
92.08864	1.0
93.07018	6.0
95.04939	5.0
95.08582	6.5
97.02879	4.8
97.06478	0.7
98.97569	0.4
99.04403	0.9
101.05995	0.7
105.03365	1.9
105.07006	8.8
107.04927	2.1
107.08570	12.5
109.02853	1.7
109.06496	17.0
109.10138	15.6
119.04931	0.8
119.08547	13.4
121.06461	2.8
121.10088	3.1
122.07288	2.9
123.08045	10.7
123.11708	0.5
123.93009	0.4
125.05957	0.6
127.03904	3.7
129.06963	0.6
131.08554	3.0
133.06458	1.6
133.10077	4.1
135.08017	4.3
135.11661	4.2
137.09589	100.0
143.08554	0.8
145.04935	3.2
145.10048	2.7
147.07980	2.0
147.11679	4.9
149.09595	6.4
151.07504	2.8
151.11145	1.5
153.09117	0.7
156.09311	1.5
159.11641	2.4
161.09526	0.6
161.13197	5.7
163.06021	0.7
163.11147	3.4
165.09059	2.0
165.12726	0.4
171.11626	2.1
173.13243	2.5
174.10304	0.6
177.05406	0.5
177.12685	0.7
179.14163	0.4
181.12108	0.6
189.12694	5.5
191.14220	0.9
207.13766	26.5
225.14796	5.4
359.94815	0.4
377.84805	0.4
387.19794	0.6
405.60364	0.4
437.88791	0.4
549.25128	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01858	1.7
55.05495	2.2
57.03419	3.1
59.04988	3.6
61.02899	2.4
66.77932	0.3
67.05489	6.9
69.03120	0.3
69.03413	5.7
69.07051	0.9
69.85446	0.3
70.06556	0.6
71.04983	0.5
72.08126	0.4
75.72647	0.3
79.05464	2.4
81.03402	4.2
81.07031	4.3
83.04996	1.1
85.02887	17.3
86.09676	0.4
87.04473	0.4
91.03918	0.9
91.05444	5.8
92.08914	2.2
93.07028	5.7
95.04955	4.4
95.08585	5.3
97.02874	5.7
97.06507	0.5
99.04429	1.4
101.06008	0.5
105.03368	2.1
105.07018	10.9
107.04935	1.5
107.08583	11.2
109.02853	2.2
109.06502	16.0
109.10137	12.4
111.08102	0.6
117.07011	0.9
119.04958	0.5
119.06055	0.7
119.08555	12.2
121.06483	2.4
121.10132	2.9
122.07275	2.7
122.91762	0.3
123.08041	9.3
125.05894	0.6
125.09613	0.4
127.03869	2.7
127.08617	0.4
129.06964	0.4
131.08524	3.1
131.39215	0.4
133.06476	1.6
133.10104	4.0
135.08028	4.0
135.11673	4.5
137.09590	100.0
138.09926	0.5
139.07477	0.4
143.08508	1.9
144.74358	0.4
145.04945	3.2
145.10110	2.9
147.08040	2.2
147.11649	4.4
149.09601	5.4
151.07536	3.3
151.11166	0.8
153.09018	0.8
156.09315	0.8
159.07996	0.4
159.11638	0.9
161.13226	5.9
163.05939	0.7
163.11148	2.4
165.09050	2.2
165.12746	0.6
171.11684	1.5
173.13202	2.2
177.12709	1.6
179.14229	0.4
181.12215	0.4
189.12686	5.8
191.14276	0.6
207.13760	26.0
207.15715	0.9
213.74103	0.4
225.14801	3.0
336.42679	0.4
360.22705	0.4
369.19125	0.7
376.72397	0.5
387.19974	0.4
549.25208	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66998	0.2
53.03935	0.5
54.88128	0.2
55.01863	0.7
55.05488	1.6
57.03417	2.1
59.04987	2.6
61.02906	1.2
61.16849	0.2
63.69714	0.2
63.84713	0.2
65.03921	0.3
65.70807	0.2
67.05492	6.7
69.03408	3.4
69.07038	0.5
70.06573	0.3
71.04966	1.2
73.02901	0.5
79.05461	1.7
81.03391	1.9
81.07029	3.5
83.04955	1.4
85.02887	10.8
85.06525	0.3
87.04428	0.4
91.03906	0.5
91.05453	4.5
92.09092	0.5
93.07018	3.6
95.04948	3.8
95.08575	7.2
97.02852	3.8
98.97552	0.5
99.04408	0.7
99.89423	0.3
101.05991	0.5
105.03364	1.7
105.07002	6.7
105.60095	0.3
107.04893	0.4
107.08570	9.4
109.02837	1.1
109.06490	16.2
109.10136	14.5
111.04408	0.3
111.08044	0.3
113.05988	0.3
117.07053	0.5
119.04918	3.9
119.06059	0.6
119.08552	10.9
120.05241	1.4
121.06472	1.4
121.10106	1.6
122.07254	2.5
123.08045	7.1
127.03889	2.3
131.08582	0.4
133.06482	0.7
133.10074	1.4
135.08011	2.3
135.11650	3.5
137.09587	100.0
138.09894	0.4
138.88918	0.3
145.02864	0.5
145.04924	2.6
145.10069	1.3
147.04384	32.4
147.08022	1.8
147.11659	3.4
148.04720	15.8
148.05923	0.6
149.09598	2.8
151.07491	2.0
153.09116	0.5
155.94235	0.3
156.09285	0.6
161.09616	0.6
161.13245	3.5
163.06012	1.0
163.11107	0.7
171.11661	0.4
177.05428	1.4
177.12680	0.4
179.14284	0.5
189.12729	3.9
207.13763	18.9
211.02745	0.4
213.97696	0.3
225.14653	1.0
238.06136	0.3
309.09656	2.7
310.10007	3.0
392.89056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10746	2.7
53.03932	4.9
55.05494	16.3
56.40986	2.8
57.03410	3.4
57.07045	4.3
65.03925	3.2
66.96346	2.9
67.05488	55.0
69.03407	20.5
69.07041	15.2
79.05471	39.3
80.88200	2.9
81.03393	36.1
81.07029	51.0
83.04925	4.7
85.02882	16.6
91.05462	100.0
92.09173	24.7
93.07024	49.4
95.04946	6.9
95.08582	36.3
97.02853	18.3
105.07000	27.0
107.08576	22.6
109.02852	6.8
109.06517	4.4
109.10134	16.0
111.04369	3.3
115.03809	3.9
117.06981	20.9
119.08575	27.8
119.09290	3.3
121.10109	23.4
127.03897	5.1
129.06967	17.0
131.08542	20.6
131.76070	3.3
133.10094	14.4
135.11696	6.1
143.08531	17.6
145.10107	14.2
149.13274	7.7
155.08522	3.5
157.10094	3.7
159.11661	14.7
167.08459	4.0
171.11639	6.2
173.13239	13.4
303.22925	3.4
369.23987	7.5
387.25159	5.5
405.26245	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	548.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64608	1.2
53.03942	2.5
55.01871	2.2
55.05509	20.6
57.03431	12.9
57.07070	2.1
61.02925	11.4
66.28017	1.9
67.05499	44.3
67.95654	1.4
69.07049	18.3
71.04987	2.1
73.02928	2.3
79.05476	75.9
81.03413	8.1
81.06599	2.3
81.07041	49.1
82.16489	1.9
83.04963	2.8
83.08621	11.1
85.02900	15.0
85.06528	2.1
91.03953	2.9
91.05460	61.3
92.08931	3.5
93.07026	93.6
95.04944	15.4
95.08586	33.6
97.02868	3.4
97.06517	6.4
97.10146	2.8
105.03394	2.7
105.07018	68.7
107.04911	1.5
107.08588	45.9
109.06516	2.9
109.10126	15.9
111.08041	1.8
117.06984	14.7
119.08564	59.0
119.09389	2.6
121.10129	39.6
123.08067	2.3
129.05432	2.1
129.06972	14.7
131.08554	26.8
133.10110	44.0
135.11681	28.5
137.09573	1.7
143.08586	14.4
145.10130	21.6
147.11664	33.8
149.09648	1.9
149.13243	16.3
157.10072	12.9
159.11642	16.7
161.13225	20.6
163.11177	2.3
163.14833	6.3
168.09265	1.5
171.11647	13.6
173.13275	7.5
175.11172	2.7
175.14836	9.0
185.13210	11.3
193.12189	1.8
199.14815	3.3
203.14267	2.3
211.13222	2.0
213.16350	1.8
223.93401	1.5
231.21031	1.9
241.19447	16.2
259.20505	52.3
276.12177	1.9
277.21576	2.9
285.17014	1.9
286.95514	1.5
333.24210	6.6
351.25241	100.0
367.22684	2.6
371.51215	2.0
375.24777	2.7
477.28265	3.7
495.29315	10.5
548.27368	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.2
55.01859	11.0
55.05260	2.0
55.05508	31.5
57.03424	16.9
57.07069	2.9
59.05003	1.3
61.02908	11.0
64.33731	1.4
67.05490	63.7
69.03419	7.3
69.07054	36.3
71.04962	3.4
77.00645	1.6
79.05476	56.7
81.03394	8.9
81.07040	74.8
83.04970	8.9
83.08613	18.1
85.02895	10.3
85.06509	2.0
90.70752	1.5
91.03930	1.9
91.05464	51.4
92.08781	11.5
93.07021	69.3
95.04971	13.4
95.08585	53.2
97.02869	8.7
97.06494	15.1
97.10171	6.9
105.07018	49.9
107.08572	42.8
109.06499	6.9
109.10145	32.6
111.08071	2.8
117.06994	13.0
119.08566	37.1
121.10124	39.0
123.08041	3.3
123.11677	2.6
129.07001	7.5
131.08530	19.7
133.10115	30.1
135.08040	2.2
135.11667	25.9
137.09598	2.5
143.08546	6.6
145.10085	17.5
147.08058	1.8
147.11679	25.1
149.09615	2.6
149.13275	12.2
151.11163	3.5
157.10089	6.0
159.11667	11.8
161.13199	17.0
163.11302	5.4
163.14807	3.3
165.12788	2.5
171.11606	12.6
173.11688	6.1
173.13254	6.6
175.14783	2.7
177.12732	2.5
179.14342	2.8
185.13228	3.2
187.14836	3.1
199.14914	2.0
209.09657	1.5
214.72792	1.5
229.14302	13.5
231.21025	3.4
241.19440	7.4
259.20483	29.4
269.17374	1.6
277.21506	26.0
351.25238	100.0
351.29596	3.6
451.63110	1.7
495.29773	2.0
513.29504	2.0
548.28638	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01856	3.9
55.05265	1.0
55.05508	17.0
57.03431	24.0
62.75027	0.7
67.05494	22.5
69.03415	6.3
69.07060	7.4
71.04961	4.8
73.25237	0.8
79.05052	1.3
79.05477	24.6
81.03402	100.0
81.06592	1.5
81.07040	25.8
83.04961	10.7
83.08121	0.8
83.08611	23.4
85.02889	21.7
85.06532	1.0
86.09690	4.1
91.05457	30.8
92.08757	4.1
92.09385	1.6
93.07018	18.6
95.04945	32.5
95.08592	10.8
97.02847	5.8
97.06518	5.0
97.10155	7.2
99.04379	0.8
105.03394	5.4
105.07013	31.0
107.04954	12.2
107.08585	12.7
109.02843	1.2
109.06498	8.6
109.10142	5.4
111.04380	1.1
111.08055	9.5
113.05985	1.9
113.53418	0.8
115.05453	1.6
116.36214	0.9
117.07037	2.7
119.04908	1.2
119.08558	26.4
121.06477	5.5
121.10120	13.6
123.08047	4.5
123.11680	1.4
123.74384	0.8
124.99998	1.7
125.09528	2.9
129.06972	15.6
131.08546	14.5
133.06471	5.6
133.10109	18.2
135.08040	3.3
135.11679	1.0
137.09673	2.9
142.07779	1.8
143.08578	1.5
143.20857	0.8
145.05019	0.8
145.06436	3.5
145.10123	5.1
147.08046	4.7
147.11664	15.8
149.09605	10.5
151.11174	0.9
157.10120	15.6
158.10522	0.8
159.11658	1.4
161.09546	1.0
163.11133	1.7
165.12711	3.3
171.08159	1.0
173.13318	0.8
175.11092	14.0
184.07300	9.3
185.07722	1.0
189.11255	0.9
189.16345	3.7
193.12202	27.6
201.16385	1.0
211.13232	15.1
218.68208	0.8
219.13634	0.8
233.15244	1.1
237.12511	0.9
249.14812	1.6
255.13602	1.4
267.15860	73.3
267.62991	0.9
273.14755	3.1
285.16913	14.9
349.21689	1.2
353.27927	0.8
357.24078	1.3
367.22495	6.0
385.23816	7.6
403.24680	1.6
433.25824	5.8
434.00766	0.9
441.26147	3.4
459.27368	37.2
477.28406	33.4
548.29169	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43798	0.1
54.82035	0.1
55.01851	0.2
55.05493	1.2
56.05016	0.2
57.03417	0.7
58.06596	0.3
59.07355	0.2
60.08153	9.0
64.33796	0.2
67.05487	1.3
69.03410	0.3
69.07042	1.0
71.07360	3.6
79.05486	1.2
81.03407	1.4
81.07043	1.5
83.04947	0.3
83.08611	0.3
85.02910	0.3
86.09689	47.4
91.05467	1.2
92.09080	0.7
93.06998	1.3
95.04945	1.0
95.08573	0.9
97.06493	0.3
97.10145	0.3
98.98448	3.8
104.10724	5.3
105.03352	0.3
105.07005	1.3
107.04939	0.2
107.08566	0.9
109.06501	0.4
109.10126	0.8
113.05943	0.2
117.07001	0.3
119.08545	0.9
121.10097	0.6
124.99979	33.2
129.07018	0.2
131.08531	0.8
133.10100	0.3
135.08066	0.2
135.11694	0.3
143.01004	0.3
145.10094	0.3
147.11690	0.4
159.11647	0.2
184.07307	100.0
184.33624	0.2
193.12131	0.2
266.52997	0.2
267.15863	0.6
285.16888	0.3
347.63199	0.2
477.28406	0.2
530.28503	1.1
548.29742	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	548.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02919	0.9
53.03946	2.2
53.60364	1.0
54.81250	0.9
54.81557	1.0
55.01864	4.8
55.05505	10.7
57.03423	5.2
57.07090	0.9
59.05000	1.1
59.75115	0.9
60.19258	0.9
61.02913	11.4
64.33276	1.0
67.05492	8.4
69.03422	25.6
69.07059	25.9
70.06586	2.7
73.02911	4.5
79.05468	8.5
81.03398	7.3
81.07043	11.0
83.01334	2.5
83.04967	19.2
83.08600	4.2
84.04489	11.3
85.02893	34.7
85.04823	2.3
85.06545	6.2
87.00837	1.1
91.03936	4.2
91.05460	10.0
92.08698	2.0
92.09227	4.0
93.07034	14.8
95.01318	9.2
95.04938	10.4
95.08589	31.1
97.02882	10.8
97.06489	7.5
97.10149	10.8
99.04464	3.9
102.05521	2.5
104.47980	1.1
105.03387	22.7
105.07008	26.3
106.03705	2.1
106.06535	1.4
107.04965	4.6
107.08572	21.9
109.02905	7.7
109.06512	5.3
109.10151	13.6
111.04427	2.7
111.08091	4.5
113.02331	1.9
113.05993	2.5
115.03931	1.3
117.07012	4.9
119.04939	1.5
119.08565	63.7
120.09367	4.2
121.06516	6.5
121.10129	31.3
123.04453	6.8
123.08064	11.0
123.11670	5.1
125.05991	4.4
125.09608	4.2
127.03905	9.1
130.05006	2.4
131.08562	6.6
132.06831	1.4
133.06493	1.9
133.07590	2.1
133.10114	100.0
134.06041	1.4
134.10860	1.1
135.08009	9.2
135.11668	2.7
137.05966	4.4
137.09612	2.5
139.03900	6.9
139.07524	1.5
141.01828	2.7
141.05540	1.4
143.03397	7.2
145.04953	2.6
145.10133	11.3
146.10925	1.1
147.04379	2.3
147.08022	4.1
147.11674	31.1
149.06010	2.2
149.09645	4.3
151.07556	2.5
153.05472	6.4
153.09077	2.6
157.04953	10.4
157.10120	1.8
159.06502	1.8
159.11703	2.6
161.09686	2.1
161.13206	10.1
163.11131	1.9
165.05423	1.3
165.09158	1.6
167.06999	5.8
171.09103	2.0
171.11655	2.0
172.09406	1.9
173.09534	1.3
173.13252	4.1
175.07526	1.5
175.14795	79.2
176.15601	9.4
177.09096	1.8
179.07007	7.6
183.06497	13.6
185.04478	2.4
185.08066	4.3
185.13254	2.2
187.14880	1.9
189.09129	1.7
191.10539	1.4
193.15852	4.9
195.10139	1.4
197.13293	1.2
203.05515	6.1
203.14462	1.5
211.06018	11.0
211.09540	1.3
213.07594	2.7
215.05476	15.2
217.08554	1.5
225.11133	3.8
229.07013	16.1
231.08598	1.8
239.09392	1.1
241.19435	1.2
243.08554	8.0
253.10593	1.8
257.10144	5.7
267.08643	1.3
269.15305	1.6
269.18933	1.4
270.00912	1.2
271.11749	24.5
281.11322	12.1
282.11694	8.9
305.17615	2.4
315.19485	1.6
326.71548	1.2
333.16806	1.7
344.76556	1.1
351.17978	87.7
369.18890	4.9
547.19031	2.3
548.19330	20.9
548.27087	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	548.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
54.42049	0.2
54.46000	0.2
54.81858	0.2
55.01863	1.7
55.05502	4.7
56.31400	0.2
57.03172	0.4
57.03428	6.3
59.05006	0.3
61.02909	0.5
63.34062	0.3
65.22795	0.2
67.05193	0.3
67.05496	6.2
68.51671	0.2
69.03071	0.4
69.03416	8.4
69.07051	3.4
71.04972	2.3
71.15438	0.2
73.02905	0.6
79.05472	11.5
81.03400	39.5
81.07039	9.7
83.04958	4.1
83.08605	6.2
85.02890	16.3
85.06509	1.3
87.04440	0.5
91.05463	8.6
93.07025	6.5
95.04946	13.2
95.08586	5.2
97.02254	0.5
97.02866	10.8
97.06518	1.9
97.10150	1.1
99.04433	2.7
99.08092	0.3
105.03373	100.0
105.06998	8.3
107.04927	3.2
107.08567	4.4
109.02134	0.6
109.02856	9.8
109.06505	3.0
109.10141	3.2
111.04433	1.3
111.08064	2.3
113.05962	0.3
115.05452	0.6
117.07009	1.7
119.08545	7.6
121.06489	1.6
121.10117	4.1
123.04404	10.3
123.08031	1.3
123.11655	0.5
125.09613	1.2
127.03886	6.5
127.07536	0.4
127.11143	0.3
129.06961	3.0
131.08534	4.5
131.16676	0.3
133.06468	0.5
133.10103	3.8
135.04376	0.3
135.08051	1.5
135.11688	1.5
136.05649	0.3
137.09573	0.6
138.97444	0.3
142.07748	0.6
143.08507	1.0
145.02846	0.4
145.04945	1.6
145.06471	0.6
145.10114	3.1
147.04408	0.6
147.08012	1.6
147.11664	3.8
149.09634	2.3
149.13286	0.6
151.11162	0.6
153.12619	0.3
157.10121	4.3
159.08154	0.3
159.11682	1.6
161.05838	0.3
161.09512	0.3
161.13216	0.4
163.03790	0.5
163.11116	0.6
165.12724	0.4
171.11613	0.5
173.13223	0.4
175.11153	3.8
176.29637	0.3
177.12704	0.5
184.07373	0.3
187.11230	0.5
189.16376	0.4
193.12215	7.9
199.14566	0.4
201.16377	1.5
211.13206	3.4
219.17451	0.5
231.06558	1.3
241.14307	0.7
249.07510	21.9
255.13753	0.5
255.72401	0.3
267.08572	22.1
267.15854	16.1
273.14847	0.5
285.16873	3.8
315.23206	0.3
333.20663	0.4
333.24109	2.8
341.21048	0.3
348.98239	0.4
349.21579	0.3
351.25220	2.6
367.22571	1.7
369.26318	0.5
385.23627	1.9
403.24213	0.4
433.25604	1.4
441.26355	0.5
453.65085	0.3
459.27252	8.8
477.28412	7.5
547.30859	1.6
548.30823	2.0
550.67542	0.3
562.31866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.05497	0.8
55.69939	0.4
56.05028	4.3
57.03419	0.4
57.09049	0.5
58.06594	1.0
60.05635	3.6
67.05482	0.5
68.05006	2.2
69.03419	2.6
70.06576	93.0
71.04972	11.3
72.08135	2.0
74.06062	12.0
80.84368	0.5
81.03394	2.8
81.07083	0.5
82.02884	0.6
84.04482	9.4
85.02895	3.5
85.07652	2.5
86.09679	0.6
88.07625	0.9
89.03897	0.5
91.05459	0.9
92.08684	0.7
92.09198	1.2
95.06062	7.9
96.04481	0.7
97.02851	1.1
97.07647	2.6
98.06044	0.9
98.97547	0.5
100.03954	1.1
100.05084	1.0
101.07140	0.5
107.04944	2.1
110.02405	3.1
111.05556	0.9
112.07574	0.9
112.08714	20.2
113.07078	6.5
114.05473	0.5
115.08669	17.9
116.07055	6.5
117.03355	0.8
119.04930	4.2
120.74835	0.5
121.06544	0.6
123.04407	2.2
125.07144	0.7
130.09779	1.1
132.08093	1.0
134.05978	7.4
135.04398	0.9
135.06808	1.1
136.07587	7.3
138.05463	0.7
139.05029	0.7
140.07085	0.7
140.08131	1.0
144.07729	0.5
146.06009	0.8
147.04381	3.4
153.12721	0.5
155.08179	0.6
158.09195	5.4
163.03867	6.0
165.05396	1.2
165.06593	2.1
172.07545	8.0
175.11819	3.8
183.07695	1.0
188.07065	4.4
199.10735	0.6
199.15565	0.8
200.07013	7.1
204.06584	2.1
210.08646	0.5
211.07156	0.6
217.09705	8.3
217.11641	0.8
231.09036	0.7
241.12874	1.2
246.07581	0.9
259.13931	0.7
263.10165	0.7
273.12292	0.9
274.11884	0.9
300.13315	0.9
302.11496	1.5
302.14917	2.4
318.14374	7.2
319.13428	0.7
328.12946	5.7
346.13885	3.1
443.19226	0.7
445.16769	0.8
450.23605	0.6
459.19757	0.8
467.20651	0.6
471.18774	1.1
485.21518	1.2
489.19846	2.6
503.22070	3.6
504.22202	1.0
520.24982	7.4
530.24023	0.7
531.22253	1.3
548.24506	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	548.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01858	1.2
55.04956	0.2
55.05498	0.4
57.03421	1.3
61.02911	0.6
67.05498	0.6
69.03418	8.5
70.06570	0.2
71.04964	1.1
73.02898	0.3
75.06436	0.2
79.05477	5.4
81.03402	14.1
81.07037	1.5
81.52429	0.3
83.04946	0.5
85.02891	12.3
85.06541	0.3
87.25582	0.2
91.05460	1.1
92.08813	0.8
92.09310	0.3
93.07015	0.6
93.39422	0.2
95.04940	5.0
95.08585	0.5
97.02873	8.7
99.04433	1.9
105.03374	100.0
105.07018	1.4
106.03674	0.4
107.08568	1.5
109.02869	9.0
109.06512	0.4
109.10150	0.6
119.08559	1.4
121.10136	0.5
123.04402	10.9
123.08021	0.3
125.09638	0.3
127.03901	6.0
131.08527	0.5
133.10143	0.6
135.08022	0.4
137.09596	0.4
145.02812	0.3
145.04958	1.6
145.10150	0.4
147.08096	0.3
147.11629	0.3
149.09641	0.4
159.11656	0.5
163.07500	0.3
165.05460	0.3
169.33339	0.2
177.05432	0.4
177.67773	0.3
189.12846	0.3
207.06555	0.3
207.10182	0.3
223.45152	0.3
231.06511	0.4
249.07530	17.6
267.08575	22.6
268.08643	0.3
320.55383	0.3
333.20602	0.5
461.69101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01859	0.8
55.05499	0.9
55.81393	0.1
57.03430	1.4
61.02908	1.1
67.05491	0.3
69.03419	8.1
69.07056	1.6
70.06569	0.4
71.04968	1.1
73.02879	0.3
74.54347	0.2
77.03905	0.3
79.05054	0.3
79.05478	4.8
79.91596	0.2
81.03401	15.1
81.07015	0.4
83.04975	1.5
83.08589	0.3
85.02892	12.1
87.04440	0.2
91.05437	0.4
92.08707	0.4
92.09222	0.3
93.07035	0.9
95.01301	0.3
95.04951	5.7
95.08598	1.7
97.02869	9.7
97.06500	0.3
97.10136	0.4
99.04443	2.3
100.33784	0.2
104.79317	0.2
105.03374	100.0
105.06972	1.3
107.08567	1.0
108.04469	0.2
109.02866	9.0
109.06490	0.3
109.10146	0.8
117.07021	0.2
117.87325	0.2
119.08563	4.4
121.06490	0.2
121.10095	1.7
123.03517	0.4
123.04403	10.6
123.08012	0.9
123.11678	0.4
127.03894	6.8
133.10126	5.2
135.08031	0.4
141.74883	0.2
145.04958	2.0
145.10094	0.4
147.07883	0.3
147.11682	1.7
149.09612	0.2
151.07481	0.3
161.13251	0.3
167.07079	0.4
173.13274	0.2
175.14781	5.0
176.15546	0.7
182.68155	0.2
183.06587	0.3
185.08025	0.3
189.09171	0.2
211.06018	0.9
215.05472	0.9
229.07103	0.7
231.06480	1.0
243.08513	0.2
249.07532	20.9
267.08585	23.0
271.11810	1.6
271.14450	0.2
305.17480	0.3
333.13324	0.2
351.17966	5.1
354.11865	0.2
548.26624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01862	2.6
55.05500	0.6
57.03428	5.8
57.03691	0.3
57.07064	0.7
59.04981	0.7
61.02914	9.6
61.42875	0.1
66.14212	0.1
67.05486	1.2
69.03414	21.4
69.07063	0.6
71.01349	0.2
71.04974	3.2
73.02896	4.2
77.03912	0.3
79.05472	18.9
81.03397	9.8
81.07033	1.1
83.01322	0.9
83.04969	0.9
84.04485	0.2
85.02888	100.0
85.06525	18.3
87.04456	2.2
91.03929	4.6
91.05466	0.8
92.08569	0.1
92.09079	1.0
93.07021	1.4
94.03983	0.2
95.04942	3.3
95.08582	0.9
97.02869	27.2
97.06519	0.7
98.11185	0.1
99.04430	5.1
101.02353	0.3
103.03918	1.0
105.03372	38.0
105.07007	0.9
106.03757	0.2
107.04923	0.2
107.08569	0.8
109.02864	8.7
109.06494	1.2
109.10184	0.2
109.24172	0.2
111.04422	0.3
111.08049	0.3
115.03880	1.3
119.04990	0.2
119.08569	0.8
121.06499	0.8
121.10088	0.2
123.04404	54.3
123.08044	0.8
125.05944	0.2
127.03890	21.9
131.08543	0.2
133.06517	0.4
133.10118	0.3
135.08043	0.6
137.05905	0.2
137.09596	0.2
141.05540	0.2
145.04938	28.5
145.10130	0.3
147.04395	0.4
147.08076	0.4
147.09149	0.3
149.05963	0.2
151.07506	0.7
153.05371	0.2
157.10023	0.2
163.05978	11.1
165.09041	0.3
167.07060	0.2
189.09048	5.5
189.10735	0.2
207.10165	0.7
211.09602	0.7
221.08128	0.2
223.16858	0.7
229.10699	2.7
247.11731	0.3
249.07524	0.8
267.08545	1.4
281.14725	0.2
285.09592	3.0
289.08936	0.2
325.11145	1.1
548.22772	0.7
559.24500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27374	0.1
53.00285	0.1
57.03421	0.1
59.93430	0.1
65.03934	0.2
69.03408	0.6
69.07059	0.1
70.06562	0.5
70.45621	0.1
71.01352	0.1
79.05450	0.2
81.03415	0.5
81.07027	0.1
82.80406	0.1
85.02907	0.8
86.09678	0.2
88.53093	0.1
91.05466	4.0
92.09057	0.6
93.07020	0.2
97.02874	7.7
99.04436	0.3
103.03859	0.1
105.03392	0.3
105.06998	0.2
109.02857	0.8
119.04925	16.3
119.08577	0.2
127.03891	1.2
137.05949	0.1
139.03880	0.7
147.04393	100.0
148.04691	0.3
151.03893	0.8
165.05429	0.6
167.07047	0.1
184.29265	0.2
207.10086	0.3
223.48007	0.1
291.08899	0.2
309.09412	0.2
351.10681	6.4
400.33694	0.1
469.13910	0.1
572.57227	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
56.97532	0.1
61.02914	0.2
65.03919	0.1
68.26363	0.1
69.03398	0.7
71.04950	0.1
71.48307	0.1
71.61085	0.1
73.02921	0.1
81.03389	0.5
85.02885	0.8
91.05466	2.7
97.02875	2.7
99.04430	0.3
109.02865	0.7
110.47145	0.1
119.04922	13.3
119.08475	0.1
120.41881	0.1
126.69721	0.1
127.03896	0.7
145.04938	0.7
147.04390	100.0
148.04694	0.3
165.05420	0.3
177.05353	0.2
192.86554	0.1
205.07028	0.7
306.89941	0.1
309.09628	7.7
406.17398	0.1
425.91840	0.1
436.01074	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	548.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.9
53.03935	2.6
55.01862	2.8
57.03430	4.8
61.02912	6.4
61.37074	0.6
63.07146	0.5
66.96068	0.5
67.05481	2.5
69.03410	53.5
69.07057	1.2
70.06570	1.5
71.04960	2.8
73.02907	1.4
79.05473	3.1
81.03387	5.1
81.07043	1.2
83.04970	0.6
84.08117	1.0
85.02885	41.9
85.90159	0.6
86.09653	1.4
87.04447	3.6
91.03937	2.5
91.05457	0.8
92.09193	1.0
93.07021	1.2
95.01278	8.7
95.04942	10.3
97.02866	15.1
103.03958	0.9
103.05393	0.7
105.07011	3.2
107.04937	10.6
107.89812	0.7
109.02865	3.2
109.10126	0.6
113.02347	0.8
115.03915	3.1
116.06215	0.7
117.32567	0.8
119.04932	5.1
122.03633	0.8
123.04401	19.8
123.05274	0.8
124.05128	0.7
125.02373	1.3
125.05956	7.8
127.03871	5.4
128.61357	0.6
131.04915	5.0
132.05733	0.7
133.02782	0.7
133.04895	0.7
133.06470	4.0
134.07248	1.3
135.04388	0.8
135.08032	3.7
137.05946	4.1
139.03917	0.8
140.04659	19.5
145.04941	5.3
145.06494	1.0
147.04381	9.3
151.03917	1.2
151.07529	2.6
152.04718	0.7
153.05443	7.2
155.06993	31.6
155.08261	1.2
157.06413	0.9
161.05945	0.9
163.03831	1.5
163.07501	12.1
164.04263	0.8
165.05450	0.8
167.06993	77.5
168.77121	0.7
169.04913	1.2
171.08037	2.3
173.08138	0.7
177.09074	1.0
179.06924	8.5
180.07579	10.6
181.04930	1.5
183.08054	0.7
184.05034	0.8
187.06052	0.7
187.07585	0.9
193.08569	1.2
194.09337	77.9
195.10069	8.2
199.07471	1.4
201.05524	0.7
201.09071	1.1
205.08604	1.0
207.15913	0.8
210.06952	0.7
211.09576	2.3
215.05453	10.3
221.08102	1.5
223.09593	1.0
227.07021	1.1
231.06438	1.2
233.08107	1.6
244.07104	0.8
245.08139	0.9
257.08081	1.3
259.09598	1.2
271.09521	1.1
274.08386	1.2
289.10599	5.3
351.10706	1.4
369.11703	100.0
502.72891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67053	0.7
53.00299	0.9
53.03924	1.5
55.01851	3.0
56.18159	0.6
57.03431	6.2
61.02917	5.4
67.05485	2.9
69.03419	58.4
70.06573	2.5
71.04984	1.2
71.27085	0.6
73.02895	1.6
79.05482	2.9
81.03416	4.8
81.07044	0.8
84.08120	1.0
85.02895	41.3
86.09695	1.1
87.04458	4.7
91.03957	2.8
91.05463	1.5
92.08991	3.1
95.01294	10.5
95.04954	13.5
97.02869	15.1
98.97540	0.9
99.04442	2.8
105.03352	0.9
105.06987	1.5
107.04943	11.7
109.02865	4.1
113.02339	0.7
115.03902	4.1
115.05409	0.8
116.06248	1.1
119.04913	3.4
123.04400	21.2
124.05222	1.1
125.02309	0.8
125.05981	9.6
127.03931	6.8
131.04924	6.2
132.05663	0.7
133.02855	0.8
133.04980	1.7
133.06462	2.7
134.07297	1.4
135.07997	3.2
137.05928	7.0
140.04652	16.8
141.05435	0.8
143.06998	0.7
143.70686	0.7
145.04933	5.5
145.06529	0.8
147.04382	8.2
147.08058	0.9
151.03888	1.0
151.07515	4.1
153.05449	6.8
153.12607	0.7
153.13843	0.7
153.39622	0.9
154.06206	0.8
155.05783	1.5
155.07014	34.0
161.05911	1.3
163.03842	1.7
163.07506	14.0
167.07005	86.2
169.04921	1.3
173.08054	0.9
179.06982	10.3
180.07582	10.4
181.04990	1.4
183.08000	1.2
189.05405	2.5
194.09360	76.8
195.08386	1.1
195.10130	13.0
199.07501	2.5
201.05479	1.0
201.09163	1.0
205.08620	1.1
206.05450	0.9
207.06415	0.9
215.05457	9.5
218.05585	0.9
221.08051	1.1
227.06966	1.5
229.08589	1.1
245.08015	1.2
247.09613	1.4
257.08102	1.4
259.05899	1.0
259.09833	0.9
289.10538	3.0
349.68054	0.7
351.10547	1.3
369.11731	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.3
66.07394	0.3
67.43724	0.3
69.03397	1.4
70.06573	1.1
70.09645	0.2
72.08151	0.4
73.02876	0.4
76.42354	0.3
77.00886	0.5
80.56231	0.3
81.03413	0.4
84.08121	2.6
85.02893	1.7
92.09084	0.9
95.01937	0.4
97.02892	0.6
101.00846	6.1
109.01382	0.3
113.00885	0.4
115.02412	0.6
119.01895	23.0
121.87419	0.3
127.02404	0.5
127.03921	0.6
129.10222	0.7
131.01854	4.8
131.51909	0.4
133.03441	1.7
137.01923	0.9
137.02939	4.9
139.02367	2.6
143.01889	9.2
145.03445	12.4
145.04634	0.6
152.02393	0.4
152.52440	0.4
155.01878	3.4
157.03447	22.9
158.02466	0.3
161.02925	15.7
162.03659	0.6
163.04529	3.8
164.74953	0.3
167.01836	2.3
168.03693	0.3
169.03435	1.9
171.05009	0.5
173.02943	8.7
175.02943	0.5
175.04492	13.6
181.05533	2.1
182.03499	0.4
185.02911	13.7
187.04477	3.4
197.02921	6.0
203.03989	5.5
205.05528	10.3
209.03027	0.4
215.03984	4.1
216.76064	0.3
221.04993	0.7
223.06593	57.8
224.06821	0.5
227.03958	3.0
233.05159	0.4
235.97392	0.3
241.07637	23.5
245.05017	21.4
246.05095	0.4
246.08090	0.4
247.04826	0.6
257.05109	1.1
263.06116	4.4
265.07632	100.0
266.07861	1.3
275.06174	1.6
277.07648	4.9
279.09232	1.5
283.08636	1.5
289.07578	4.3
293.07159	0.7
295.08701	4.4
301.07687	1.5
301.11200	0.3
305.07132	1.4
305.10483	0.4
307.08478	0.5
309.10464	0.4
319.08771	0.5
325.09741	9.2
335.07721	0.4
337.09760	1.5
349.09692	1.5
365.09363	4.2
367.10800	4.8
385.11859	0.5
387.13242	0.4
416.16751	0.4
547.14111	5.3
547.27661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.05500	20.3
57.03423	8.8
57.07069	8.1
59.04973	3.9
61.02917	18.4
65.19431	4.3
66.40067	3.8
67.05492	100.0
69.07045	17.0
71.04964	6.2
79.05466	63.3
81.03399	3.9
81.07035	89.8
83.04941	3.4
83.08589	5.9
85.02895	6.3
91.03898	5.2
91.05460	35.5
92.08707	8.8
92.09293	7.7
93.07027	82.7
95.04923	7.5
95.08584	63.7
97.02845	5.1
105.07038	20.4
107.08573	50.9
109.10140	37.8
114.37389	4.6
117.07013	8.0
119.08566	25.8
121.10098	34.3
123.11710	15.6
128.22490	4.2
131.08549	28.8
133.10130	20.3
135.11705	29.3
145.10112	20.7
147.11641	14.9
149.13243	8.5
149.71829	3.9
159.11668	17.2
161.13208	15.0
163.14732	5.2
173.13203	15.1
175.14841	4.0
184.07289	14.8
243.21069	25.4
261.22058	94.3
279.23056	4.4
286.77594	4.0
315.93726	5.5
335.25861	30.5
346.97888	4.1
353.26859	37.3
546.36664	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	546.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
54.90099	1.5
55.01867	23.5
55.05505	31.8
56.49226	1.8
57.03428	30.8
57.07062	2.0
59.04992	2.5
61.02882	1.9
66.72001	1.8
67.05139	3.0
67.05493	72.4
69.03417	9.8
69.07059	20.4
71.04966	12.6
73.02899	1.9
79.05478	55.6
81.02927	3.7
81.03402	83.3
81.07034	67.2
83.04462	2.4
83.04965	70.2
83.08607	32.5
85.02891	37.2
85.06532	6.8
86.09728	2.1
91.05463	56.2
92.09148	8.3
93.07027	75.3
95.04945	42.1
95.08587	32.0
97.02876	4.4
97.06508	21.4
97.10154	8.2
99.04443	9.0
99.08081	3.7
101.02355	2.6
101.36757	1.7
105.03392	10.8
105.07021	39.5
105.87203	1.7
107.04936	21.7
107.08586	38.6
109.06509	18.6
109.10138	20.6
111.04429	100.0
111.08065	51.5
113.06012	3.3
117.06979	12.9
119.08555	42.0
121.06537	13.8
121.10117	35.8
123.08051	4.3
123.11688	3.2
125.06004	3.8
125.09592	3.1
127.03903	1.8
129.05424	2.8
129.06966	17.3
131.04976	2.2
131.08533	28.6
133.06470	7.1
133.10109	24.9
135.08026	4.2
135.11674	34.1
137.09567	2.8
142.07738	2.7
143.08539	2.6
145.10112	38.4
147.08017	8.0
147.11642	27.1
149.09630	19.8
153.12723	46.0
155.08534	3.9
157.10091	18.2
163.11147	57.6
165.12708	2.7
173.09561	15.0
175.11160	16.7
181.12198	56.8
184.07314	2.7
191.10606	38.3
193.12231	38.8
209.11739	8.3
211.13248	40.7
227.12738	44.9
231.06717	2.1
257.18680	2.7
267.15878	27.2
275.20053	15.8
277.13657	1.8
283.15375	74.4
283.18369	3.6
285.16873	51.6
301.16357	36.7
311.00067	2.1
349.23703	51.6
383.22186	6.9
398.80029	2.0
401.23181	2.1
457.25696	8.9
475.26855	22.8
493.27902	38.5
511.28827	61.1
546.27563	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	546.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
54.41015	0.8
54.81822	0.9
55.01863	7.8
55.05237	0.9
55.05504	25.0
55.90295	0.8
57.03429	43.2
57.07064	1.4
59.04979	1.6
61.02905	2.1
63.94386	0.8
67.05135	1.8
67.05489	40.1
69.03409	5.4
69.07056	16.3
70.06588	1.1
71.01322	1.0
71.04967	4.1
73.02885	1.1
79.05473	41.8
81.03402	32.4
81.07038	42.9
83.04966	16.5
83.08600	10.1
85.02888	13.3
85.06525	8.4
91.05460	53.6
92.09137	3.5
93.07021	48.5
93.07473	0.9
95.04949	18.9
95.08580	25.4
97.02881	11.0
97.06521	7.0
97.10143	6.1
99.04432	8.1
102.37730	1.0
105.03372	1.7
105.07010	36.9
107.04940	15.1
107.08573	24.3
109.06519	13.0
109.10143	9.2
111.04433	1.9
111.08066	7.0
117.06986	13.9
119.08562	34.8
121.06466	4.2
121.10110	16.0
122.13880	1.0
123.08040	6.5
123.11679	1.2
125.09597	4.7
129.06992	10.6
131.08534	27.0
133.10112	19.0
135.08028	5.1
135.11693	12.7
137.09622	1.8
143.08557	3.9
145.10077	17.5
147.08018	3.6
147.11661	12.0
149.09607	3.8
153.12698	7.8
157.10075	5.5
159.11685	5.9
161.13257	3.7
163.11130	9.8
173.09628	1.0
173.13229	3.8
175.11116	3.5
175.14783	1.5
181.12263	2.1
184.66197	1.1
185.13217	3.9
191.10623	1.1
191.14264	1.0
193.12230	11.2
199.13278	1.4
199.41609	1.0
201.16307	4.8
203.14311	3.9
209.11674	4.2
211.13237	8.8
219.17400	80.3
227.12665	3.5
265.14227	1.2
267.15894	4.2
275.20032	10.1
283.15427	6.7
285.06937	1.0
285.16843	6.1
336.77710	1.0
349.23663	100.0
354.40866	1.1
371.27515	1.0
439.26611	2.1
487.04733	1.0
493.27744	4.2
511.28836	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	546.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.3
55.01625	1.4
55.01866	24.5
55.05505	48.8
57.03429	43.0
57.07059	4.7
59.04975	2.0
65.03925	1.6
67.05492	71.2
69.03410	14.6
69.07053	24.2
70.55862	1.0
71.01334	2.0
71.04963	13.3
72.40784	1.1
73.02899	9.3
79.05474	66.8
81.03400	100.0
81.07037	63.9
82.04181	5.1
83.04964	46.7
83.08115	1.6
83.08604	37.0
84.02092	1.4
84.05697	1.1
85.02884	38.0
85.06520	7.5
87.04433	1.6
91.05458	65.0
92.09201	7.2
93.07019	40.3
95.04321	1.9
95.04942	56.1
95.08591	28.1
97.02857	10.3
97.06506	14.3
97.10148	19.7
98.07288	6.2
99.04452	1.5
99.08058	2.1
104.91659	1.2
105.03378	2.3
105.06358	2.3
105.07011	47.7
107.04942	21.1
107.08576	23.6
109.06499	9.6
109.10143	11.8
111.04420	6.8
111.08047	18.4
113.05965	7.5
115.05450	1.6
116.04684	22.9
117.06979	7.2
119.08555	36.6
121.06483	6.3
121.10115	20.9
123.08024	13.0
123.11637	1.7
125.09622	19.2
129.05455	50.3
129.06944	21.8
131.08539	21.6
133.06445	7.4
133.10103	22.3
135.08008	3.0
135.11684	7.6
137.09590	2.5
142.07709	6.3
143.06985	11.9
145.10097	8.1
147.07980	5.7
147.11659	23.7
149.09602	12.1
151.11131	1.4
153.12706	2.1
157.08577	24.4
157.10101	23.8
163.11122	8.7
165.12662	2.6
168.06615	1.3
171.06473	5.3
171.10139	9.5
175.11142	21.4
181.12198	2.4
189.11153	9.4
191.10539	2.0
193.12209	56.4
199.09840	1.3
199.13307	8.7
200.14064	2.0
209.11716	2.3
211.13258	61.8
211.78447	1.5
227.12747	12.4
255.15900	1.5
267.15869	17.9
267.44125	1.3
283.15353	7.2
285.16907	63.6
301.12952	2.1
301.16385	61.7
405.30206	1.5
412.95868	1.3
439.26642	1.7
471.86365	1.4
477.28357	2.8
493.28046	9.0
494.28510	1.7
511.28943	36.4
519.96631	1.3
546.27740	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	546.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.1
51.02365	0.4
53.03938	2.9
55.01854	0.2
55.05505	0.2
57.03428	1.1
61.02910	0.5
66.21600	0.1
67.05506	0.1
69.03413	6.7
71.04975	1.1
73.02892	0.5
76.35068	0.1
77.03912	0.5
79.05474	5.1
81.03397	15.4
81.07013	0.2
83.77058	0.1
85.02888	8.8
92.09000	0.8
93.07032	0.1
95.04319	0.1
95.04944	5.0
97.02864	10.0
99.04427	2.3
105.03370	100.0
106.03687	0.1
108.04451	0.4
109.02858	8.8
117.79074	0.1
123.04401	9.9
127.03891	6.5
145.04921	1.5
159.11639	0.1
166.87436	0.1
207.06451	0.1
231.06490	1.1
249.07518	20.6
267.08563	20.1
355.41696	0.1
364.59030	0.1
392.30579	0.1
445.77167	0.1
494.36865	0.1
545.32300	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	546.318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
53.97842	1.1
55.01861	1.7
55.05500	14.9
57.03429	10.2
57.07065	2.2
67.05489	20.0
69.07048	15.1
71.04977	2.7
71.08609	7.2
79.05466	17.3
81.03408	7.5
81.07038	35.7
82.69370	1.1
83.04964	6.1
83.08611	8.7
85.02893	1.7
85.06550	2.3
85.78469	1.1
91.05463	16.2
92.09081	1.1
93.07022	20.7
95.04942	7.1
95.08573	18.2
97.06500	6.6
97.10156	1.9
98.98450	5.0
99.08088	5.1
99.65617	1.1
105.07018	19.6
107.04964	1.8
107.08566	15.7
109.06496	13.8
109.10152	12.7
117.06996	2.5
119.08548	23.1
121.10137	13.9
123.08031	29.3
125.09657	1.3
131.08542	6.4
133.10095	17.9
135.08041	11.2
135.11667	5.4
136.54419	1.0
139.11127	1.6
145.10133	7.3
147.11649	10.7
149.09619	5.9
149.13229	2.5
150.37903	1.3
157.10060	2.4
159.11693	5.2
161.09613	2.3
161.13271	1.5
163.11166	2.0
165.12691	1.2
173.13185	1.8
175.11203	2.3
175.14821	5.4
177.12726	4.6
177.16388	1.9
179.14264	40.8
179.15742	2.0
193.12241	2.0
193.15813	1.6
205.15887	6.3
229.14188	2.3
249.49828	1.3
267.15900	5.8
273.91653	1.3
275.20325	1.2
289.21786	2.5
289.25616	1.5
330.96219	1.3
331.26129	18.1
334.93921	1.2
349.27304	6.3
362.47238	1.5
374.30496	1.7
387.29013	5.5
405.29898	100.0
418.69797	1.6
485.27032	1.5
503.27390	2.4
539.88562	1.5
546.31799	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25112	1.6
52.68250	1.4
53.00286	2.0
53.03942	7.1
53.32097	1.4
55.01862	8.5
55.05502	53.3
57.03425	25.0
57.07054	6.8
58.09269	1.5
63.91605	1.7
67.05138	4.0
67.05489	100.0
68.05804	1.5
69.03414	3.3
69.07059	24.5
71.04969	3.6
79.05474	79.1
81.03397	85.3
81.07036	84.7
83.04960	9.2
83.08594	32.4
83.32207	1.7
85.06516	2.3
91.05458	52.9
92.08875	4.0
93.07021	69.6
95.04943	39.2
95.08580	65.0
97.06503	3.9
97.10159	20.0
105.07014	48.2
107.04950	12.8
107.08568	48.4
109.06495	9.3
109.10125	27.7
111.08071	7.9
117.06998	15.8
119.08540	43.2
121.06491	10.8
121.10122	26.4
123.08048	4.2
123.11735	8.0
125.09599	13.8
129.06967	14.1
131.08543	38.1
133.06454	4.6
133.10106	28.8
135.08044	3.6
135.11661	15.0
141.06961	2.0
142.07794	7.6
143.08578	10.2
145.10095	24.2
147.08051	8.3
147.11694	20.0
149.09592	4.4
149.13281	7.0
154.11293	1.9
155.08522	7.5
157.10146	14.9
159.07967	2.4
159.11612	17.2
161.13254	7.3
163.11067	2.6
169.10017	3.4
171.11658	6.8
173.13229	10.7
175.11099	7.4
185.13211	6.9
187.14806	2.6
189.11215	7.3
191.14340	2.4
193.12192	15.9
195.11484	2.0
227.12741	11.3
243.21213	2.3
256.10110	1.9
261.19748	1.8
261.22046	17.6
267.15860	34.2
269.47427	2.0
277.84824	2.3
279.23477	1.7
285.21823	2.1
292.27637	2.2
296.94363	1.9
301.25186	15.4
335.25797	36.5
398.23273	1.9
421.26019	2.7
435.32321	2.6
453.33542	13.7
454.51266	2.1
471.34613	12.0
527.37189	61.8
545.38257	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.8
53.03929	4.8
55.01856	4.2
55.05503	29.4
57.03428	14.0
57.07044	2.0
61.76179	0.8
65.03911	2.0
67.05489	66.2
67.42093	0.8
69.03405	3.4
69.07054	18.2
71.04971	6.7
75.65515	0.8
79.05473	70.6
80.55590	0.9
81.03395	46.0
81.07038	60.9
83.04961	8.4
83.08600	20.2
85.02890	26.4
85.06512	1.6
91.05457	51.6
92.08874	8.5
93.07022	60.5
95.04941	28.0
95.08582	35.2
97.02861	1.0
97.06499	5.1
97.10158	4.8
105.04503	2.0
105.07011	35.6
107.04932	4.7
107.08576	26.4
109.06503	7.4
109.10144	14.4
111.08082	6.8
113.05988	1.6
115.05489	1.1
117.06999	8.2
117.63501	0.9
119.08553	27.0
121.06495	1.8
121.10114	22.1
121.10960	1.1
123.08011	2.0
123.11677	4.8
123.22134	0.9
125.09597	3.5
128.06139	1.0
129.06976	10.8
131.08539	16.6
133.06439	1.8
133.10091	13.9
135.11664	6.8
136.54735	0.8
137.09546	3.1
142.07738	3.8
143.08548	1.9
144.69943	0.9
145.10077	11.3
147.08044	1.7
147.11658	13.7
149.09630	5.1
149.13235	4.4
157.10098	11.3
159.11674	4.2
161.13203	3.1
163.11197	1.0
165.12769	1.5
169.10033	1.2
171.11641	1.2
173.13249	1.8
175.11105	6.3
187.14755	1.2
193.12215	19.0
211.13226	20.0
257.34421	1.1
261.22202	4.1
267.15836	7.3
335.25845	5.5
435.32394	1.2
471.34344	0.9
527.37146	12.5
545.38251	100.0
554.55573	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.7
53.03932	5.3
53.41199	0.8
55.01861	4.1
55.05504	28.6
57.03217	0.7
57.03428	12.1
57.07055	4.9
65.03920	2.0
67.05490	60.9
69.03407	5.1
69.07053	16.7
71.04971	5.2
71.08604	1.5
72.33027	0.8
79.05473	60.0
81.03399	45.9
81.07038	55.7
83.04959	9.9
83.08603	20.5
85.02886	19.6
85.06515	1.8
89.05975	1.1
91.05462	46.0
92.08981	6.6
93.07023	57.8
93.48003	0.8
95.04946	22.7
95.08587	33.0
97.06497	3.7
97.10158	4.9
105.07014	31.1
105.07731	0.9
107.04921	5.8
107.08581	22.9
109.06507	4.6
109.10141	13.9
111.04424	1.6
111.08058	4.6
117.06992	9.7
119.04935	0.9
119.08566	27.5
121.06497	1.9
121.10113	18.7
123.08087	1.6
123.11692	4.2
125.09602	1.5
128.06212	1.0
129.06972	10.3
131.08548	14.0
133.06503	1.2
133.10095	17.5
135.07983	0.8
135.11691	7.2
137.09602	1.9
142.07823	3.5
143.08565	2.0
145.10104	8.7
147.08017	3.4
147.11656	11.9
149.09607	4.1
149.13197	4.5
155.08621	1.0
157.10094	9.6
159.11670	5.4
161.13252	1.9
165.12691	1.4
171.11726	1.0
173.13237	3.8
175.11118	6.5
185.13170	1.6
187.14732	1.3
193.12216	16.6
197.90204	0.8
199.14731	0.9
211.13240	14.8
261.22208	1.4
267.15762	7.5
335.25842	3.9
453.33463	1.3
465.72327	1.0
527.37360	9.1
536.09534	0.9
537.36237	1.1
545.38275	100.0
552.16290	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.9
54.81540	1.6
55.01868	3.7
55.03556	1.3
55.05507	53.5
56.05818	1.8
57.03432	28.3
57.07069	3.5
59.05009	1.7
59.06123	1.7
63.64202	1.4
64.33192	1.4
67.05492	100.0
68.05822	2.1
69.03415	6.7
69.07056	33.3
71.04977	3.7
71.07357	2.4
71.08617	1.7
71.65535	1.6
78.09129	1.7
79.05477	62.5
81.03403	79.3
81.07040	82.4
83.04965	9.2
83.08614	34.4
84.08973	1.6
85.06535	2.9
86.09703	18.5
87.10033	2.8
91.03132	1.5
91.05465	48.4
92.08826	3.6
93.07027	67.5
95.04948	33.6
95.08586	57.6
95.09193	1.9
96.08997	2.1
97.06519	6.6
97.10139	23.4
99.08086	2.4
103.05463	2.4
105.07021	41.4
107.04955	11.6
107.08583	42.0
109.06522	8.5
109.10139	33.1
111.08070	8.0
117.07011	16.5
119.08561	29.0
121.06487	13.6
121.10126	26.3
123.08041	6.0
123.11672	7.0
125.09646	12.4
128.06242	1.9
129.06956	11.8
131.08543	29.7
133.06514	2.9
133.10112	24.2
135.08018	3.6
135.11673	15.4
137.09561	3.6
142.07738	3.8
143.08536	8.0
145.10121	20.6
146.98180	22.3
147.07996	3.7
147.11661	17.9
149.09547	6.2
149.13254	7.1
151.11163	1.6
155.08586	1.9
157.10124	13.5
157.11235	1.6
159.11617	12.5
160.86665	1.7
161.09572	2.6
161.13251	7.8
163.11209	2.9
169.10074	3.0
171.11679	3.5
173.13237	11.4
175.11157	7.1
175.14841	2.0
179.43739	1.7
183.11734	2.5
185.13287	3.7
187.14821	6.7
189.11185	3.1
193.12195	14.3
199.14731	2.0
213.16325	2.7
227.12712	12.7
261.22128	10.0
267.15878	34.8
299.23560	1.9
301.25116	12.0
335.25781	23.3
340.29181	7.4
402.87082	1.8
421.25620	2.5
435.26971	2.1
435.32425	3.0
453.33618	7.4
471.34698	7.4
485.26248	9.7
486.26654	20.2
515.68640	1.9
527.37311	47.9
544.33673	3.0
545.39117	57.8
551.81897	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87408	1.3
53.03936	1.7
55.01863	2.6
55.05502	25.4
55.83961	1.5
56.25622	1.2
57.03433	2.9
57.07068	1.6
58.56726	1.2
67.05494	62.4
68.16318	1.5
69.07056	18.6
71.04967	2.9
74.16583	1.7
79.05476	44.5
79.05906	2.7
79.33646	1.3
81.03392	2.2
81.07041	100.0
83.04983	5.8
83.08596	12.7
85.06505	5.5
91.05462	28.4
92.09087	1.4
93.07020	46.4
95.04974	8.2
95.08588	45.1
96.20548	1.4
97.06527	3.3
97.10141	2.6
99.08082	2.1
105.07023	33.9
107.08574	23.6
109.06484	3.4
109.10151	16.1
111.08068	1.7
117.06981	6.0
119.08563	24.0
121.10138	22.7
123.08041	2.5
123.11698	15.6
131.08568	7.1
133.10101	9.5
135.11682	7.2
145.10103	6.2
147.11676	28.9
149.13237	3.3
165.12701	10.6
173.13280	1.7
200.94707	1.6
261.22144	7.8
267.15872	25.4
275.44138	1.6
289.97998	1.7
295.64688	1.6
455.45670	2.2
527.36816	2.8
545.38416	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.9
54.81984	0.9
55.01849	5.3
55.05503	32.0
57.03430	13.6
57.07054	1.8
59.04995	1.0
65.03913	1.5
67.05489	72.6
69.03424	4.8
69.06710	1.4
69.07050	20.8
69.88624	0.9
71.04955	5.2
79.05472	60.7
81.03397	53.2
81.07037	60.1
83.04958	11.4
83.08600	22.7
85.02870	16.7
85.06530	2.3
86.09696	1.3
88.21143	1.0
91.05458	45.9
92.08865	9.2
93.07020	59.5
95.04945	28.9
95.08583	42.8
97.02847	1.4
97.06490	7.4
97.10148	10.8
99.08063	1.5
99.95937	1.0
105.07011	34.1
107.04942	5.1
107.08579	26.6
109.06495	5.3
109.10139	18.1
111.08081	7.3
115.05428	1.3
117.06989	10.3
119.04919	1.1
119.08544	27.6
121.06499	5.4
121.10120	22.5
123.08075	2.0
123.11675	5.1
125.09609	6.1
127.55894	1.1
128.06215	1.4
129.06966	9.6
131.08540	24.2
133.06471	1.8
133.10101	17.6
135.11647	11.4
137.09618	1.3
143.08575	3.8
145.06450	0.9
145.10115	11.4
147.08026	5.0
147.11656	13.6
149.09616	5.0
149.13226	5.0
149.65715	1.1
155.08516	1.6
157.10103	14.8
159.08061	1.2
159.11658	7.0
161.13243	4.4
163.14888	1.0
167.08582	1.4
169.10141	2.3
171.11694	4.2
173.13234	5.7
175.11177	6.2
175.14830	1.9
183.11598	1.4
184.07288	1.3
185.13193	1.6
187.14795	1.7
189.11212	1.8
193.12227	18.5
199.14801	1.4
211.13211	14.2
227.12663	1.3
243.21033	1.0
261.22137	5.8
267.15839	14.8
301.25116	4.5
335.25714	14.6
435.27173	1.3
435.32492	3.5
453.33704	4.0
471.34601	1.9
527.37183	20.9
545.38275	100.0
548.26086	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.9
53.03932	5.2
55.01862	4.4
55.05505	28.2
57.03437	11.0
57.07063	2.1
61.23201	0.7
63.73224	0.8
65.03925	2.2
65.41256	0.7
67.05492	58.9
67.05853	2.0
69.03420	5.8
69.07056	17.1
71.04981	5.9
79.05474	62.3
81.03397	51.1
81.06535	1.2
81.07037	59.2
83.04958	9.2
83.08604	18.6
85.02890	20.9
91.05460	47.9
92.08877	7.1
93.07024	61.3
95.04949	26.6
95.08001	1.9
95.08582	37.3
95.09188	1.4
97.02873	3.6
97.06533	6.3
97.10159	7.8
105.04522	1.3
105.07014	35.4
105.28745	0.8
107.04955	6.3
107.08572	24.2
109.06501	6.3
109.10137	14.6
111.08066	7.0
113.05972	1.1
115.05452	1.3
117.07011	8.6
119.08543	24.1
121.06475	2.0
121.10130	22.4
123.08093	4.8
123.11678	3.8
125.09610	3.6
129.06978	12.2
131.08548	19.9
133.06491	1.2
133.10107	16.3
135.08044	1.4
135.11671	9.0
137.09663	1.1
137.83029	0.9
142.07742	3.5
143.08559	2.2
145.10104	9.7
147.08067	2.0
147.11649	11.6
149.09633	4.6
149.13275	3.8
155.08571	3.8
157.10094	9.2
159.11684	5.1
161.13216	1.9
162.72267	0.9
163.11189	1.1
163.14784	1.3
165.12762	1.4
171.11658	3.5
173.13277	6.6
175.11156	7.6
185.13284	1.3
187.14699	1.8
193.12206	18.0
209.92792	1.0
211.13268	20.3
223.19565	0.9
260.89188	1.0
261.22061	2.0
267.15735	7.5
301.25073	1.4
310.55142	1.0
335.25729	5.8
335.35172	0.9
453.33487	1.5
527.37073	12.3
545.38287	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	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21772	1.8
53.03939	6.8
55.01860	7.7
55.05507	56.3
57.03422	22.0
57.07064	3.1
58.57119	1.8
65.03906	3.4
67.05147	3.6
67.05494	99.0
69.03421	3.0
69.07059	27.5
71.04963	3.3
79.05476	72.4
81.03398	86.2
81.07039	100.0
81.71956	1.9
81.90653	1.7
83.04966	10.6
83.08609	31.6
85.06520	4.2
91.05463	56.2
92.08805	13.1
93.07021	66.2
95.04945	39.6
95.08588	70.8
97.02859	1.8
97.06503	7.9
97.10135	22.2
105.07015	51.2
107.04919	12.7
107.08587	46.3
109.06501	8.0
109.10139	36.7
111.08036	4.4
115.05443	2.8
117.07007	22.6
119.08556	34.8
119.11513	1.8
121.06478	10.6
121.10117	26.2
123.08053	3.9
123.11633	14.2
125.09619	17.9
129.07014	14.2
131.08551	32.4
133.06470	4.7
133.10110	27.3
135.08029	7.3
135.11662	14.3
137.09625	3.2
138.83994	1.9
141.06889	2.8
143.08537	9.8
145.06496	2.4
145.10101	25.4
147.08017	3.6
147.11679	21.7
149.09608	4.4
149.13252	8.4
155.08597	3.1
157.10089	13.1
159.11658	19.1
161.13257	10.5
163.11240	2.3
163.14821	3.0
169.10075	3.6
171.11673	8.2
173.13226	12.8
175.11095	8.0
175.14803	2.4
177.12610	1.8
177.16385	2.0
185.13120	2.9
187.14819	4.6
189.11159	7.5
193.12218	15.1
195.11639	2.8
197.13177	3.0
199.14754	3.4
206.74333	2.1
227.12759	10.9
243.20990	1.9
261.22122	10.8
267.15842	39.4
287.19745	2.5
301.25125	17.1
317.24500	3.4
335.25781	32.8
337.28043	2.3
386.62344	2.0
435.32721	4.3
453.33511	8.3
471.34348	4.6
477.99969	2.1
527.37219	56.9
545.30334	3.1
545.38306	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2717
Annotation	[1R-[1R*,2S*(Z),4S*,6R*,8R*(Z),9S*,10S*(Z),11R*]]-1,6-Dimethyl-9-(1-methylethenyl)-7-oxo-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,8,10-triyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
53.03938	1.2
55.05503	3.9
57.03429	1.7
67.05482	2.4
67.60142	0.8
69.03403	4.2
69.07067	1.3
70.24793	0.9
79.05484	3.8
81.03390	8.8
81.07047	6.7
83.04974	1.3
83.08599	1.1
85.02923	3.3
91.05476	5.1
93.07022	4.1
95.04940	4.2
95.08559	1.8
97.02853	2.0
105.03386	10.0
105.07033	6.8
107.08594	1.8
109.02873	1.3
119.08567	5.4
121.10104	1.6
129.07024	1.2
131.08566	2.1
133.10144	4.4
145.10155	1.1
147.04405	2.0
147.08112	1.1
147.11633	1.6
152.69334	0.9
157.10056	1.5
159.11621	1.1
193.12236	1.5
203.06982	1.3
239.75766	1.1
249.07471	1.2
261.80417	1.1
266.18750	1.0
267.15915	4.0
283.15268	1.0
297.03891	1.9
307.07831	20.2
412.19232	1.0
478.28687	1.6
544.25897	1.5
544.34711	1.7
545.27075	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	543.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
55.76250	0.4
57.03426	0.5
60.75546	0.4
62.80020	0.4
67.05501	1.1
69.03408	0.7
69.07095	0.5
69.81731	0.4
79.05482	1.0
79.68274	0.4
81.03397	0.5
81.07039	2.4
83.05016	0.5
83.09059	0.5
85.02888	0.8
91.05477	1.9
92.08632	1.0
92.09232	1.9
93.07035	2.2
94.07410	0.4
95.04946	0.9
95.08568	0.9
101.83488	0.4
105.03366	1.9
105.07021	1.9
107.08591	1.0
109.02782	0.4
109.06483	0.8
109.10156	0.7
119.08561	2.3
131.08600	0.7
133.10127	0.9
145.10100	0.6
169.04721	1.9
259.16492	0.6
289.07266	0.5
307.07809	1.9
367.96848	0.5
473.21216	0.6
543.25537	100.0
544.25806	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05713	1.0
51.01791	1.0
53.00295	5.9
53.03930	7.5
54.31231	1.1
55.01857	11.7
55.05504	52.7
57.03425	34.2
57.07069	1.6
58.95753	1.0
59.04987	7.3
67.05135	2.6
67.05489	54.6
69.03410	8.2
69.07054	13.9
71.01326	1.9
71.04981	9.2
73.02882	2.4
79.05469	55.8
81.03397	100.0
81.07034	75.9
83.04965	32.5
83.08598	46.9
85.02888	39.3
85.03363	2.1
85.06528	6.3
91.05458	85.0
92.64604	1.3
93.07021	49.8
95.04948	45.5
95.08578	27.5
97.02878	11.0
97.06500	10.6
97.10158	6.2
99.00793	42.7
99.04401	1.7
99.08090	1.8
103.05406	2.3
105.03369	6.4
105.04485	1.5
105.07005	67.3
107.04930	23.3
107.08569	26.9
109.02863	21.9
109.06494	13.4
109.10133	12.8
111.04410	6.3
111.08060	16.5
113.05997	2.9
115.03926	2.7
115.05431	2.3
117.06978	7.5
119.04913	2.8
119.08556	46.5
121.06499	15.5
121.10117	15.4
123.04422	2.7
123.08038	6.2
123.11672	5.3
125.09624	1.9
127.03902	6.1
128.06204	4.5
129.06979	16.9
131.04959	1.4
131.08545	23.0
133.06503	8.1
133.10101	73.4
135.08037	2.9
135.11726	2.2
137.05962	4.6
137.09543	4.2
139.07538	6.8
142.07768	6.0
143.08578	11.7
145.10146	5.7
147.04366	2.5
147.08023	6.8
147.11662	22.1
149.09621	12.4
151.11131	19.0
157.10112	22.4
161.09578	31.4
163.11092	2.2
165.12811	1.8
167.07019	13.2
171.08035	5.0
175.11156	17.4
178.38899	1.3
179.10628	17.9
189.09077	12.7
193.12190	48.0
197.11728	1.4
201.16499	1.5
207.10191	5.1
211.13232	65.2
225.11195	15.0
243.12234	2.8
267.15839	16.5
281.13742	2.6
285.16910	57.9
299.14825	91.9
491.26248	14.8
509.27356	96.8
510.27585	1.5
521.74072	1.7
544.25708	5.2
545.26825	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53129	1.3
53.00308	1.3
55.05501	3.0
57.07065	53.2
60.12251	1.3
67.05475	1.5
69.07033	5.3
70.06583	1.7
71.08612	33.2
73.06530	9.5
81.07031	2.8
83.08603	1.7
85.10157	20.1
87.04443	5.9
89.06008	100.0
92.08997	10.1
93.06989	1.6
95.08585	1.9
97.10121	1.9
99.11735	1.6
105.06936	1.5
107.07063	2.3
117.09109	1.7
121.10077	1.5
133.08569	31.0
155.17926	2.6
177.11208	18.0
189.90753	1.2
199.20421	2.1
221.13539	1.8
243.23106	9.0
283.17401	2.0
287.25613	6.5
371.22589	7.3
413.28247	1.3
471.85669	1.6
525.40125	26.1
541.53241	2.8
542.41870	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	542.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.05496	2.7
57.03421	0.8
57.07065	0.6
60.04516	12.8
62.27633	0.4
66.10609	0.5
67.05486	6.7
69.03414	31.2
69.07048	3.9
71.04984	0.7
79.05481	5.9
81.03404	3.7
81.07044	11.9
81.07484	0.9
83.04961	2.9
83.08614	0.8
85.02898	2.3
85.06514	0.6
90.97769	0.5
91.05466	6.1
91.46423	0.5
92.08755	1.2
92.09277	1.1
93.07023	9.1
95.04945	2.9
95.08589	13.8
96.04495	1.2
97.02863	11.0
97.06508	1.9
97.10154	0.8
99.04426	10.6
103.28188	0.5
105.03351	3.7
105.07013	13.6
106.03722	0.9
107.04144	0.5
107.04906	0.9
107.08590	12.4
109.02872	10.6
109.06480	2.1
109.10136	5.3
111.04427	0.8
111.08058	0.5
115.03922	0.7
117.06984	1.3
119.08552	18.1
121.06487	0.8
121.10123	9.4
123.04388	0.6
123.08076	0.6
123.11676	4.1
127.03889	5.9
128.06223	0.9
129.07021	2.0
131.08546	6.4
133.06453	0.8
133.10104	10.3
135.08032	1.0
135.11676	4.8
136.57164	0.6
140.07066	1.3
142.07756	0.9
143.08548	5.1
145.06522	0.7
145.10100	7.7
147.08093	0.9
147.11674	7.9
149.13261	4.1
153.09003	0.7
155.08641	0.7
156.09352	0.7
157.10110	3.8
159.08029	1.0
159.11646	6.2
161.09662	1.2
161.13217	4.2
163.11125	0.5
163.14761	4.3
165.70587	0.5
168.09344	0.6
169.10077	0.9
171.08051	0.6
171.11642	3.8
173.13182	4.3
175.11232	0.6
175.14807	5.1
177.16335	4.5
183.11713	2.1
185.09654	0.6
185.13255	2.9
187.14761	8.4
189.16350	15.8
191.17888	1.1
199.11189	0.5
199.14807	2.0
201.12762	2.9
201.16382	3.1
201.51643	0.5
203.14412	0.9
203.17921	3.8
213.16441	0.6
215.17908	0.7
220.88176	0.5
228.13524	0.6
437.30255	0.9
453.77588	0.6
498.35648	35.6
524.33832	0.8
542.34692	100.0
543.25366	2.0
543.34912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	1.1
53.03927	7.9
54.42096	1.1
55.01862	18.2
55.05507	14.2
57.03412	8.5
57.07053	5.1
58.29997	1.1
58.47490	1.0
59.04969	1.6
61.02905	4.6
67.05484	31.2
68.05790	1.8
69.03414	34.8
69.03766	2.5
69.07051	44.6
70.06570	5.2
70.07390	2.3
71.04973	13.2
73.02899	1.7
79.05470	23.7
81.03399	42.6
81.07034	79.2
82.07362	2.8
83.04971	12.0
83.08605	7.7
84.60571	1.2
85.02884	36.1
85.06059	2.1
85.06525	31.9
86.09713	1.5
87.04469	1.2
90.01037	1.1
90.60224	1.1
91.05460	24.7
92.09095	1.4
93.07018	68.8
94.07349	2.3
95.04948	11.3
95.08577	57.9
96.08179	1.2
96.08913	6.0
97.02872	14.0
97.06514	23.4
97.10168	1.8
99.04424	21.9
99.08051	3.1
101.05999	5.7
105.03374	11.8
105.06290	1.2
105.07006	42.3
107.04936	5.7
107.08572	99.2
108.08895	6.8
109.02145	1.9
109.02865	40.4
109.06497	24.0
109.10132	36.1
110.10442	2.5
111.04402	2.6
111.08056	22.0
111.11681	5.7
113.05973	7.4
113.09612	1.5
115.07564	1.4
117.06977	7.3
119.04790	1.5
119.08562	18.5
121.06473	16.1
121.10120	55.8
122.10503	1.4
123.04353	2.5
123.08021	14.2
123.11675	22.6
124.11977	2.6
125.09603	16.3
126.09961	1.6
127.03899	36.4
127.07530	2.2
127.11211	2.2
129.06973	2.1
131.04912	1.8
131.08530	6.7
133.06499	5.5
133.10098	7.2
135.08015	8.4
135.11662	36.6
136.07431	1.5
136.11995	1.4
137.05954	29.5
137.09601	14.5
137.13239	10.2
138.06294	1.8
139.07559	2.8
139.11107	10.4
143.08583	1.9
145.02824	1.3
145.04909	6.8
145.06429	1.7
145.10109	44.6
147.07927	1.7
147.11664	17.0
149.06015	2.6
149.09590	22.4
149.13223	5.5
150.13525	1.6
151.07513	16.5
151.11176	2.3
153.09126	1.3
153.12717	8.3
159.11679	1.7
161.13199	1.9
163.07477	8.0
163.11153	93.1
163.14862	4.5
165.09105	5.7
165.12746	9.3
166.13130	1.5
167.06993	3.0
167.10637	28.4
169.08560	100.0
171.13728	5.3
173.09569	6.2
177.09084	5.6
181.12207	32.2
183.08040	4.5
183.13803	12.8
185.09573	1.3
185.11697	4.8
188.51563	1.2
189.09116	5.1
190.09271	1.4
191.10620	36.9
191.12164	2.3
191.17920	1.2
193.12189	2.3
193.86217	1.2
199.13217	1.8
201.14818	5.0
209.11697	29.5
227.12730	88.4
245.13698	2.4
255.12332	2.3
269.13724	6.3
289.14148	5.1
289.25214	2.0
297.88351	1.4
307.26498	4.0
308.26364	1.4
309.16861	1.9
317.13754	2.4
325.16458	3.1
335.14899	10.8
343.17484	1.8
353.15836	43.5
361.29236	5.4
362.29483	1.8
371.16971	30.4
389.18008	8.8
403.48575	1.4
530.33948	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	2.2
53.03936	4.5
55.01854	0.5
55.05503	4.2
57.03426	0.8
57.07067	0.7
67.05492	4.9
69.03410	7.7
69.07053	6.8
71.04972	6.5
77.03896	0.5
79.05470	13.8
81.03401	11.5
81.07035	38.0
83.04925	0.5
83.08606	2.3
85.02886	14.9
85.06519	0.8
91.05464	5.3
92.09014	1.0
93.07020	17.5
95.04958	5.2
95.08581	11.4
97.02878	6.5
97.06493	1.8
97.10163	0.8
99.04434	2.0
99.08044	2.3
105.03371	100.0
105.07009	15.9
106.03707	0.8
107.08576	22.7
109.02867	8.9
109.06528	0.6
109.10139	14.3
110.10551	0.5
117.06987	1.0
119.08556	27.5
121.10091	4.4
123.04406	15.8
123.11690	6.2
125.09631	0.5
127.03887	6.5
127.11190	4.3
131.08546	1.9
133.10110	12.1
135.11676	27.0
143.08519	0.5
143.10677	1.1
145.04929	0.9
145.10114	1.0
147.04465	0.5
147.11667	8.8
149.13220	1.0
151.11264	0.5
159.11694	0.8
161.13205	4.4
175.14746	0.9
194.57549	0.5
203.17931	15.7
221.18936	10.5
231.06529	0.8
249.07497	16.1
249.69670	0.5
267.08578	34.1
432.83292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
53.34721	0.4
55.01861	4.3
55.05508	5.8
57.03423	7.1
57.07065	0.7
59.04979	0.7
59.37747	0.6
61.02912	10.8
61.93571	0.5
62.69084	0.4
65.03922	1.1
67.05484	8.4
69.03413	23.8
69.07047	11.1
71.04973	12.1
73.02905	4.2
79.05466	13.9
81.03397	10.7
81.07034	60.7
83.01309	0.7
83.04957	2.1
83.08609	5.9
85.02885	99.8
85.06524	32.5
87.04444	2.2
91.03922	4.0
91.05450	18.9
93.07019	23.4
93.07626	0.6
94.04179	1.0
95.04940	7.6
95.08578	31.0
96.08957	0.6
97.02863	26.2
97.06499	4.2
97.10116	2.2
99.04418	8.5
99.08069	1.0
99.47246	0.5
103.05441	3.1
105.03362	6.7
105.07002	9.8
106.07368	0.5
107.04934	4.8
107.08572	42.3
109.02864	9.1
109.06485	5.4
109.10120	9.2
110.10458	0.7
111.04414	1.2
111.08038	3.8
111.57850	0.5
115.03915	0.7
115.05431	0.8
117.03282	0.9
117.07008	0.9
119.04910	15.5
119.05862	0.6
119.06026	0.5
119.08562	3.8
121.02846	2.3
121.06464	5.4
121.10114	16.1
122.03607	2.5
123.04410	0.9
123.08024	2.5
123.11671	2.8
124.03922	0.9
124.07558	2.2
125.05911	0.5
125.09609	2.6
127.03888	18.4
128.06180	1.3
129.06960	9.9
131.04906	6.1
131.08527	3.0
133.06454	2.1
133.10072	2.1
135.04388	0.8
135.08032	5.1
135.11661	7.3
136.05165	2.1
137.05949	73.7
137.13232	2.9
138.06241	0.9
139.07492	0.9
139.11211	0.6
141.06976	0.9
143.08534	1.2
145.02824	3.6
145.04933	17.6
145.06415	2.9
145.10110	2.2
146.07170	0.6
147.04410	2.1
147.07950	0.9
147.11638	1.2
149.05960	12.1
149.09653	0.7
151.03891	2.6
151.07515	69.6
152.07924	0.6
157.06459	10.4
159.08035	1.3
159.11636	1.1
161.05946	12.1
161.09590	3.4
161.13208	0.6
162.06442	0.8
163.03880	0.8
163.05997	7.1
163.07513	18.0
163.11169	1.2
163.14780	42.3
165.06961	4.2
165.09109	4.0
166.07697	0.8
167.07034	2.4
167.08536	10.1
169.08595	1.0
171.08015	0.7
174.06738	6.4
175.07507	5.2
175.14767	0.8
177.05452	6.0
177.09082	6.2
178.07745	2.5
179.08459	1.0
181.06483	1.0
181.12360	0.9
181.15828	41.9
187.07561	0.9
187.14838	0.7
189.09065	27.5
191.10684	0.9
193.06468	4.9
193.08510	0.4
193.10057	4.9
194.07251	1.0
195.08018	18.7
196.08585	0.8
197.05954	2.3
197.09549	1.0
197.15564	0.6
199.16870	0.8
201.09026	0.9
202.07602	0.6
203.08551	0.7
206.07190	0.8
207.08250	1.0
207.10019	4.3
209.05901	0.7
209.09602	3.2
210.06677	2.8
211.07440	1.1
212.08311	3.6
219.10133	1.1
221.06009	7.6
221.09547	8.4
222.06786	0.6
223.07538	8.9
224.08273	3.2
225.05528	0.7
225.09032	7.3
227.10626	25.3
227.12798	1.3
237.09053	2.9
238.06192	2.3
239.07034	2.1
240.07747	2.9
241.08472	0.6
241.12263	0.9
249.09158	4.5
253.08539	13.3
253.12195	12.3
255.06229	0.9
255.07172	0.7
255.10112	22.1
265.08636	0.6
266.09317	1.1
267.10214	5.7
269.08060	3.5
269.11630	2.6
272.10413	2.7
281.11679	4.4
284.10254	2.1
285.11148	13.6
287.12698	31.7
289.50256	0.6
293.11603	0.9
297.11194	0.9
298.11865	1.0
299.12720	1.2
313.14261	21.1
313.17734	1.1
324.25940	0.6
325.11002	1.0
325.14288	2.0
331.15320	100.0
332.15637	3.0
343.15259	3.7
518.97772	0.5
525.93964	0.5
535.30835	0.6
541.18488	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
53.16994	0.2
54.15538	0.2
55.01823	0.4
55.05495	1.4
57.03425	2.5
57.07057	0.7
59.04717	0.4
59.04990	7.6
67.05491	3.8
69.03414	6.3
69.07039	1.1
70.12441	0.3
71.04963	0.4
77.03874	0.4
79.05463	1.4
81.03413	0.7
81.06602	0.4
81.07046	7.8
83.04979	3.8
83.08627	0.4
85.02888	6.0
85.06528	1.1
87.04459	3.3
91.05455	1.4
91.34004	0.3
92.08716	0.6
92.09275	0.6
92.21663	0.3
93.07030	3.2
95.04939	1.3
95.08590	2.4
97.02868	4.2
97.06513	0.7
99.04432	0.7
104.01237	0.3
104.72813	0.3
104.83104	0.3
105.03353	0.7
105.06994	3.3
107.07954	0.4
107.08583	6.6
109.02833	0.4
109.06503	6.6
109.10142	36.2
111.07313	0.4
111.08070	10.8
115.03905	2.1
119.04913	1.7
119.08572	1.2
121.10114	3.5
123.04407	0.4
123.08038	1.6
123.11683	10.5
123.18092	0.3
125.09605	1.9
127.03818	0.4
127.07502	0.5
131.08551	0.4
133.04910	1.5
133.10107	3.2
135.08035	2.5
135.11676	0.5
136.07608	0.4
136.45107	0.3
137.05960	1.9
137.09558	0.5
137.13216	0.7
139.07518	1.1
139.11156	0.7
145.10101	0.3
147.04366	2.9
147.11632	2.4
149.09589	0.5
151.11168	14.6
153.09117	2.0
161.09593	0.4
163.11137	1.0
165.12715	2.9
167.10710	0.4
169.12216	0.4
175.11169	1.8
179.10703	0.4
181.12206	1.5
193.12192	5.7
199.13290	0.6
211.13263	100.0
222.82599	0.3
229.14261	1.0
229.35635	0.3
329.13754	0.4
331.15063	0.3
367.63055	0.3
524.69391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17352	0.2
51.02366	0.2
53.03940	3.0
55.01861	1.5
55.05499	3.4
57.03424	5.5
57.07066	0.6
61.02913	0.4
67.05483	3.4
67.51441	0.3
69.03414	10.3
69.07050	7.6
71.04977	1.9
73.02908	0.4
75.04475	1.8
77.03900	0.4
79.05475	8.7
81.02924	0.6
81.03398	12.7
81.07032	10.1
83.04980	0.4
83.08612	2.6
85.02473	0.4
85.02888	12.0
85.06535	1.9
87.04469	0.4
91.05461	4.9
92.09121	0.6
93.07026	5.1
95.04941	7.7
95.08576	8.4
97.02872	7.0
97.06512	0.7
97.10149	1.5
99.04408	2.9
99.08064	0.6
103.05448	1.2
104.37970	0.4
105.03373	100.0
105.07010	21.6
106.03682	0.5
107.04922	1.9
107.08562	4.6
109.02860	6.6
109.06498	1.7
109.10140	5.9
111.04437	0.6
111.08051	1.4
111.11745	1.2
117.06998	0.6
119.04890	0.5
119.08559	2.0
121.06487	1.2
121.10118	3.8
122.03629	1.2
123.04401	12.8
123.07990	0.4
123.11684	3.1
124.12027	0.3
125.05992	0.4
125.09612	1.2
127.03904	5.3
127.11175	0.5
129.06963	0.4
131.04926	1.1
131.08554	1.5
133.06467	38.8
133.10094	3.6
134.91977	0.3
135.04408	0.6
135.08020	0.6
135.11703	2.1
135.45024	0.3
137.05956	68.5
137.13220	0.6
138.09929	0.3
139.11176	0.6
143.08444	0.4
145.04942	1.1
145.10083	1.3
147.04413	1.2
147.11664	1.5
149.13249	1.4
150.06757	0.5
151.07510	1.7
151.11122	0.4
157.06471	0.4
157.10103	0.3
159.08034	0.3
161.09554	1.9
161.13268	0.5
163.03854	1.8
163.07539	3.9
163.11134	0.6
163.14771	0.4
164.08237	0.4
165.09077	18.8
165.10487	0.7
167.07047	0.6
173.13191	0.5
175.07524	2.5
175.14903	0.4
177.09079	1.2
179.06999	0.4
179.10646	0.4
181.08522	1.5
181.15881	0.7
183.10126	8.6
188.08376	0.3
189.09081	1.7
193.08525	0.5
203.10658	1.5
209.11559	0.5
219.10040	0.4
221.11678	1.9
231.06480	0.7
239.08842	0.4
239.12622	1.3
249.07491	6.1
257.13782	37.8
267.08594	10.6
267.11484	0.3
289.25092	1.4
295.26224	1.8
307.26190	4.5
313.27350	1.3
323.25385	0.4
325.23773	0.4
325.27127	2.2
343.15445	0.4
343.28400	0.6
347.14856	1.3
377.22867	0.4
378.22571	0.3
404.65155	0.4
467.16528	0.4
520.02124	0.3
529.27466	0.4
539.27667	1.4
540.29034	2.2
569.59698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02647	0.2
51.88039	0.3
53.03939	3.9
55.01859	1.7
55.05506	3.3
57.03424	5.3
57.07066	0.7
59.04992	0.5
61.02906	0.5
67.05497	4.2
67.75691	0.4
69.03070	0.5
69.03413	8.5
69.07050	7.1
71.04965	1.7
71.08619	0.3
73.02872	0.4
75.04451	1.6
75.55274	0.3
77.03909	0.7
79.05473	8.6
81.03396	12.2
81.06591	0.6
81.07037	11.8
83.04956	1.6
83.08605	3.6
85.02886	12.8
85.06524	2.8
91.05456	4.8
93.07023	4.8
95.04945	7.8
95.08580	9.0
96.05275	0.4
97.02863	7.5
97.06477	1.5
97.10136	1.4
99.04425	2.3
99.08060	1.5
103.05449	0.6
105.03370	100.0
105.07004	21.3
106.03708	0.5
107.04921	2.6
107.08573	4.4
109.02858	6.1
109.06490	1.7
109.10133	6.5
111.04441	0.4
111.08038	1.5
111.11707	0.7
115.05444	0.4
117.06989	1.2
119.08575	2.4
121.06463	0.6
121.10102	3.6
122.03616	0.7
123.04392	12.2
123.08093	0.5
123.11680	3.8
124.03894	0.4
125.09599	0.4
127.03886	5.4
127.11163	0.5
129.07022	0.4
131.08533	1.7
133.06462	35.5
133.10078	3.1
135.04382	0.6
135.07990	0.7
135.11653	2.4
137.05954	65.3
137.09581	1.4
137.13222	0.8
139.11136	1.4
143.08533	0.6
145.02820	0.8
145.04947	0.7
145.06482	0.6
145.10083	1.8
146.07188	0.4
147.04398	0.8
147.07982	0.7
147.11682	1.9
149.05931	0.4
149.09714	0.3
149.13242	1.4
151.07472	1.7
151.11240	0.6
153.12688	0.4
159.07996	0.4
159.11650	0.4
161.05922	0.6
161.09579	1.3
161.13232	0.3
163.03880	2.2
163.07501	4.6
163.11092	0.4
165.05350	0.4
165.09068	19.7
165.12718	0.3
167.07045	0.4
173.13258	0.6
175.07530	3.0
175.14789	0.6
177.05441	0.5
177.09064	1.6
179.06940	0.4
181.08527	1.3
183.10136	9.7
189.09088	1.9
193.08598	0.5
203.10646	0.8
203.56573	0.3
204.53604	0.3
209.11652	0.5
214.88019	0.3
221.11682	1.7
231.06444	0.7
239.12730	1.4
249.07529	8.4
257.13779	39.0
258.14017	0.4
267.08542	11.8
277.25174	0.7
281.13727	0.4
289.25180	1.4
295.26166	2.5
307.26276	4.6
313.27307	1.5
324.26013	0.5
325.27213	2.9
343.28204	0.8
347.14914	0.6
377.22742	0.5
539.27850	1.4
540.28467	2.7
554.09863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.7
53.03933	1.4
54.81542	0.6
55.01855	3.6
55.05493	3.6
57.03424	6.8
57.07053	0.6
59.15788	0.6
60.19620	0.5
61.02910	7.7
65.03905	0.7
67.05487	6.3
69.03063	1.0
69.03413	19.5
69.07047	7.0
71.04970	7.8
71.93815	0.6
73.02892	4.1
79.05470	8.7
81.03395	7.1
81.07036	36.0
83.04966	0.9
83.08582	3.2
85.02887	75.7
85.06527	22.6
87.04433	1.5
91.03923	3.1
91.05460	17.0
92.08940	2.8
93.06492	0.8
93.07024	15.5
94.04172	0.9
95.04962	6.5
95.08006	1.0
95.08584	21.2
97.02869	19.5
97.06499	2.8
97.10148	1.1
99.04426	6.7
103.05441	3.7
105.03346	3.6
105.07012	7.1
107.04922	4.8
107.08572	23.9
109.02857	9.1
109.06493	5.3
109.10147	5.4
110.10476	1.0
111.04425	1.2
111.08053	3.1
114.73313	0.6
115.05408	0.7
117.06972	0.9
119.04913	14.1
119.08537	3.5
121.02808	0.8
121.06477	4.0
121.10106	9.4
122.03619	4.5
123.04356	1.2
123.08051	1.3
123.11633	1.3
124.04955	0.6
124.07599	0.9
125.09598	1.0
127.03902	14.4
128.06160	0.8
129.06960	11.3
131.04889	4.6
131.08565	1.4
133.06482	1.5
133.10103	1.1
135.08034	6.0
135.11664	4.9
136.05170	0.9
137.05951	74.5
137.13216	2.4
143.08536	1.2
145.04924	15.7
145.06377	2.4
145.10139	0.9
146.03615	0.8
147.08066	0.9
149.05975	11.6
151.07516	72.1
155.08537	0.8
157.06467	13.2
157.32530	0.6
161.05936	11.8
161.09586	3.9
163.03877	1.2
163.05960	4.7
163.07506	18.9
163.11063	1.0
163.14780	27.4
165.06949	3.8
165.09068	3.3
167.07195	1.2
167.08522	9.0
174.06717	5.1
175.07500	5.8
175.14842	0.8
177.05389	2.6
177.09068	6.4
178.07689	3.2
179.08604	0.9
181.06415	0.9
181.15828	25.3
187.07529	0.8
189.09058	28.5
191.08513	0.9
193.06422	3.9
193.10083	5.7
194.07208	2.4
195.08034	19.7
196.08774	0.6
197.06006	1.0
197.09532	1.1
201.09079	0.9
203.08548	1.3
207.10066	4.0
209.09622	1.2
210.06721	2.9
211.07526	2.9
212.08282	2.6
219.75211	0.8
221.05980	5.7
221.09538	9.3
223.07523	8.4
224.08234	2.7
225.09067	6.8
227.07132	0.9
227.10616	25.3
234.06616	1.4
235.07445	0.9
237.08971	1.5
238.06093	2.4
240.07681	2.9
241.08562	1.3
241.12343	0.8
249.09106	5.8
252.07597	1.0
253.08554	9.6
253.12158	15.7
255.10095	25.6
256.10980	0.9
263.10379	0.7
266.09305	1.1
267.10031	4.0
269.08078	3.3
269.11292	1.6
270.08740	1.5
272.10342	2.5
281.11752	4.3
285.11185	14.9
287.12717	30.2
297.11023	1.2
298.11856	0.8
299.12686	2.9
313.14273	19.9
325.14377	1.4
331.15323	100.0
343.15414	2.9
425.03302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82003	0.2
55.01853	0.5
55.05490	1.1
55.53765	0.2
57.03424	0.2
60.61106	0.2
61.02910	0.4
64.86703	0.2
65.03899	0.4
67.05496	1.9
69.03403	2.0
69.07062	1.7
71.04958	1.1
79.05464	1.2
81.03402	1.2
81.07042	4.6
82.07358	1.0
83.04958	0.9
83.08602	0.4
85.02890	3.5
85.06526	2.5
91.05455	4.4
92.08999	1.3
93.07021	2.8
94.04173	0.4
94.07304	0.3
95.04955	2.3
95.08596	2.1
97.02850	1.3
97.06497	0.9
99.04430	1.1
99.08054	0.3
103.05443	7.6
105.03381	1.8
105.06993	2.6
107.04919	1.0
107.08583	2.7
109.02943	0.3
109.06496	1.1
109.10139	3.2
111.08057	1.4
115.05419	0.4
117.06995	2.7
119.04896	2.4
119.08572	1.8
120.08901	0.3
121.06493	2.3
121.10104	1.8
122.03606	1.6
123.04368	0.3
123.08051	1.1
123.11687	1.5
123.65340	0.2
127.03904	0.4
128.06192	1.3
129.06949	1.6
131.04900	17.0
131.08519	0.4
133.06416	0.7
133.10117	1.0
135.08015	1.7
135.11629	0.8
136.12079	0.3
137.05952	28.8
138.06242	0.3
139.11124	0.3
143.08525	1.2
145.02866	0.5
145.04932	0.3
145.06425	1.0
145.10089	0.4
146.03644	0.3
147.04506	0.2
147.08029	0.9
147.11600	0.4
148.05185	0.3
149.05951	1.6
149.09576	0.3
149.13206	0.4
151.07518	13.6
151.11179	1.1
154.26775	0.3
157.06401	1.6
159.11595	0.3
161.05946	3.2
162.06737	2.7
163.07506	31.0
163.14772	0.5
165.07024	0.3
165.09019	0.3
167.07082	0.4
167.08528	1.7
167.10693	0.3
171.07962	0.5
174.06715	1.1
175.07513	4.6
177.09071	100.0
178.09317	0.4
180.14636	0.4
189.09120	3.4
191.08347	0.3
193.06477	0.3
193.10088	1.0
195.08217	2.7
195.09856	2.5
197.09726	0.2
201.09077	0.2
201.95258	0.3
203.08537	0.3
203.10602	0.5
207.10083	0.4
211.07401	0.3
212.08252	0.9
219.07896	0.2
221.05913	1.5
221.09612	1.3
221.11659	9.5
223.07466	1.2
225.09100	1.2
227.10641	3.8
227.12675	0.4
233.09607	0.5
235.07425	0.4
237.09114	0.8
239.10658	0.3
240.07695	0.4
249.09052	0.4
253.08546	1.5
253.12096	2.0
255.10097	3.8
265.08426	1.1
267.10126	1.0
269.08011	0.5
272.10449	0.3
281.11694	0.4
282.08881	0.3
285.11118	2.3
287.12723	4.6
287.23721	0.3
297.11072	0.3
299.12680	1.1
305.24628	0.3
311.12659	2.6
313.14279	3.0
323.25723	2.5
324.25964	1.6
331.15341	11.6
341.26740	0.4
343.15268	1.9
379.33847	0.2
555.45209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01870	1.0
55.05487	2.5
57.03420	2.4
57.07058	0.9
61.02927	0.6
65.03915	0.7
67.05501	4.6
69.03421	5.4
69.07040	4.0
70.06577	0.9
71.04967	1.4
73.02907	1.0
74.51681	0.6
77.07780	0.5
77.39186	0.5
79.05463	5.4
81.03399	3.6
81.07045	8.9
83.04961	1.3
85.02882	9.7
85.06518	3.8
86.07462	0.7
87.04430	0.6
89.03877	1.0
91.05457	15.9
92.08786	2.6
93.03391	0.6
93.07012	6.4
94.04166	0.7
95.04935	4.6
95.08590	5.2
97.02858	4.1
97.06501	2.3
99.04421	2.4
99.08106	1.1
103.05472	0.9
105.03362	3.0
105.07017	4.9
107.04940	4.0
107.08567	6.1
108.08829	0.6
109.02864	3.2
109.06464	3.9
109.10123	7.5
110.10441	0.7
111.04404	2.3
111.08082	1.1
113.09642	0.6
115.05470	0.8
116.06335	0.7
117.03370	3.4
117.06971	0.7
119.04923	29.2
119.08531	4.0
121.06479	1.1
121.10124	5.4
122.03654	4.9
123.08025	3.3
123.11675	1.3
125.05943	0.8
125.09607	1.0
127.03880	2.9
129.06998	8.3
131.04924	3.9
131.08528	15.9
131.10051	0.6
133.10117	2.9
134.03568	0.6
135.04413	0.8
135.08031	1.4
135.11656	3.0
135.93990	0.6
137.05952	69.5
137.09535	4.9
139.11153	0.8
141.06961	0.8
144.05734	1.1
145.02827	10.8
145.04887	0.9
145.06427	0.8
145.10104	2.1
147.04390	100.0
149.05919	6.3
149.09570	0.7
151.03902	0.6
151.07524	18.0
151.11278	0.6
153.05453	3.7
153.09135	0.6
157.06445	6.8
158.07216	1.2
159.08008	11.4
161.09631	1.3
163.07538	3.3
163.11166	2.7
165.09070	3.1
167.06969	1.3
169.08612	1.2
171.06508	0.9
174.06714	12.5
175.07480	1.1
177.05423	14.2
177.09091	0.7
179.10689	0.7
181.08508	0.9
181.12192	1.2
186.06691	0.7
189.09071	35.2
191.10658	7.4
195.08064	3.4
199.13275	0.9
201.09081	7.6
207.10164	0.9
219.10034	4.3
221.05888	0.9
221.09612	1.2
223.07419	0.8
227.10570	2.8
227.12714	1.3
233.09573	2.4
237.09070	0.7
240.07793	1.0
250.91756	0.6
253.08528	1.1
253.12140	1.3
255.07715	0.6
255.10138	3.8
261.09061	1.0
265.12219	0.8
270.08713	0.8
278.09180	1.0
280.15829	0.6
283.09592	2.8
285.11090	0.7
287.12793	4.1
290.22241	0.6
293.11658	2.9
295.09866	0.8
309.09607	0.7
313.14380	4.1
323.25714	0.7
325.14172	14.6
331.15359	11.8
343.15100	3.8
343.21048	0.8
533.49164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
54.81243	0.5
55.01859	3.3
55.05505	3.3
57.03426	4.1
57.07058	0.6
61.02915	6.0
65.03918	0.5
67.05486	6.7
69.03063	0.8
69.03413	14.6
69.07057	5.7
71.04977	7.0
73.02887	2.7
79.05470	7.2
81.03402	7.1
81.07037	36.8
82.07354	0.5
83.01277	0.4
83.04965	0.8
83.08594	2.4
85.02889	56.1
85.06525	19.4
87.04430	1.2
91.03938	2.3
91.05457	14.4
92.08588	0.6
92.09113	1.1
93.07025	13.7
95.04961	5.6
95.08004	0.8
95.08584	18.3
97.02865	14.0
97.06496	2.5
99.04420	9.4
103.03918	0.6
103.05437	2.9
105.03369	5.3
105.07001	6.3
107.04926	4.4
107.08577	23.8
109.02868	6.2
109.06503	4.4
109.10126	7.5
111.04420	1.1
111.08051	2.6
115.05428	1.1
116.82570	0.4
117.07000	1.1
119.04911	13.3
119.08533	3.6
121.02856	1.0
121.06474	5.2
121.10122	9.4
122.03596	2.5
123.08042	2.2
123.11665	3.0
124.03922	1.0
124.07594	0.7
124.70865	0.4
124.74696	0.4
125.05957	0.7
125.09608	2.2
127.03889	10.9
129.06975	10.6
131.04898	6.3
131.08551	3.4
133.06467	2.6
133.10124	1.1
135.04427	0.8
135.08009	4.6
135.11667	5.9
136.05147	1.1
137.05949	68.7
137.13208	1.0
138.38959	0.4
143.04880	0.7
143.08478	0.7
145.02840	2.8
145.04919	9.3
145.06454	2.7
145.10104	2.0
146.03610	0.9
147.04376	1.1
147.11627	2.0
149.05960	11.7
151.03928	2.2
151.07518	67.0
152.06157	0.6
153.05522	0.5
157.06456	9.5
159.08014	1.0
159.11603	0.5
161.05945	10.9
161.09561	2.9
163.03868	0.7
163.06024	3.7
163.07463	17.1
163.11137	1.8
163.14781	24.0
165.06938	3.2
165.09094	3.5
165.12714	0.6
166.07690	0.6
167.07130	1.0
167.08499	10.1
169.08554	1.2
174.06689	6.3
175.07539	6.2
177.05421	4.6
177.06859	0.8
177.09088	6.5
178.07666	1.0
179.08659	0.8
181.06453	0.6
181.10149	0.5
181.15836	19.9
182.07227	0.6
187.07500	0.7
189.09058	25.1
191.08615	0.7
191.10603	1.9
192.07726	0.5
192.09421	0.7
193.06487	4.1
193.10139	4.2
194.07227	1.0
195.08034	16.0
196.08777	0.6
197.05960	0.6
197.09581	0.8
199.11284	0.6
199.16808	0.7
201.09013	1.8
203.08543	1.0
205.10118	0.5
205.12090	0.6
206.07237	0.8
207.08235	0.8
207.10037	3.6
209.09601	2.5
210.06766	3.1
211.07594	1.8
211.16853	1.0
212.08243	3.3
213.09016	0.5
219.08096	0.8
221.05936	7.2
221.09566	8.9
223.07494	8.0
224.08257	3.9
225.09019	6.9
227.07069	1.3
227.10629	25.6
227.12662	1.4
231.08023	0.6
233.09552	0.8
234.06519	0.9
235.07407	0.9
237.09087	2.9
238.06229	2.2
238.09805	0.8
239.07016	0.5
239.10846	0.5
240.07819	1.9
241.08492	1.0
241.12132	0.8
249.09206	5.0
250.09837	0.6
252.07771	1.0
253.08543	12.2
253.12196	13.3
254.09387	0.7
255.06207	0.6
255.10103	20.5
266.09189	1.0
267.10208	5.3
269.08057	2.2
269.11655	0.7
270.08606	0.9
271.13254	0.5
272.10318	2.4
281.11627	3.9
283.09479	0.9
284.10327	2.0
285.11136	14.0
287.12720	30.4
297.11136	1.1
299.12616	1.9
301.14212	1.0
311.12659	1.0
313.14285	20.6
324.25623	0.7
325.14441	0.7
331.15326	100.0
332.15787	1.1
343.15384	3.4
541.18842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25935	0.5
53.03924	0.6
54.42348	0.4
55.01855	1.1
55.50190	0.5
56.20809	0.6
57.03417	1.2
59.60582	0.6
60.14750	0.5
61.02908	1.3
67.05483	0.7
69.03419	4.8
71.04975	0.8
73.23412	0.6
79.05470	1.0
79.21186	0.6
81.03387	1.5
81.07011	0.9
85.02896	13.0
91.03920	0.7
91.05466	17.9
92.08713	1.3
92.09261	1.4
93.07036	1.1
94.04186	0.9
95.04935	3.6
95.08598	0.9
97.02860	3.5
103.05443	2.5
105.07015	2.8
107.04916	4.5
109.02867	0.8
109.06494	4.3
112.91102	0.7
115.05427	2.4
116.06263	0.7
117.06992	1.0
119.04917	16.7
121.06465	3.7
122.03648	3.2
123.08013	0.8
127.03898	1.3
128.06183	1.2
129.06985	20.4
131.04912	5.6
131.08554	10.0
133.06494	2.6
133.10164	0.8
134.03795	0.8
135.08058	4.9
136.05156	1.3
137.05959	81.3
141.06955	8.4
143.04897	1.3
143.08527	1.1
144.05705	1.2
145.02805	0.6
145.05000	1.3
145.06441	3.8
146.07227	0.9
147.04395	0.8
147.08028	0.8
148.05212	0.7
149.05989	9.7
150.06789	0.7
151.03870	2.5
151.07521	76.0
152.06149	0.7
157.06471	17.7
158.07246	4.1
159.08049	8.0
160.05179	0.8
161.05980	10.6
161.09608	3.6
163.07515	19.4
165.06969	3.7
165.09088	3.5
167.08511	8.3
169.06384	5.4
170.07233	1.4
171.07866	0.7
174.06732	27.4
175.07478	10.6
177.05467	3.4
177.06888	0.9
177.09045	4.2
178.07684	1.0
181.06444	0.7
182.07254	0.8
186.06717	3.7
187.07510	1.1
188.08362	1.0
189.09070	58.2
191.06975	0.8
191.10616	1.5
193.06473	3.2
193.10094	4.7
195.08025	18.5
196.08820	0.8
197.09647	1.0
201.09068	12.7
203.08505	0.8
206.07169	1.1
207.08240	0.8
207.10124	3.8
209.09554	2.8
210.06720	3.0
211.07526	1.2
212.08299	3.7
219.10123	82.6
221.05962	4.2
221.09593	7.9
223.07458	9.4
224.08275	3.0
225.09071	6.3
227.07080	1.0
227.10631	30.5
237.09113	2.3
238.06233	1.2
239.07019	0.8
239.10609	1.2
240.07782	3.1
241.08505	0.9
241.12144	1.1
249.09114	4.6
252.07695	0.9
253.08514	11.7
253.12157	14.1
255.10115	24.0
267.10110	5.9
269.08096	3.5
269.11493	1.3
272.10309	2.8
281.11649	4.1
285.11145	15.5
287.12717	37.9
298.11829	0.8
299.12704	1.5
301.14392	0.7
313.10602	0.9
313.14294	27.7
325.14267	0.7
331.15338	100.0
343.15195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81862	0.2
55.01841	0.3
57.03408	1.1
61.02901	0.9
67.05487	0.2
69.03402	1.6
73.02880	0.2
81.03382	0.4
81.07028	0.3
85.02422	0.3
85.02893	6.3
87.04441	0.2
91.05447	1.8
92.08717	0.5
92.09303	0.4
93.06976	0.3
97.02892	1.6
99.04442	0.3
105.06999	0.3
107.04924	0.2
107.08583	0.3
109.02855	0.4
109.06467	0.3
115.05425	1.9
116.06242	0.3
117.06972	0.9
118.28371	0.2
123.08064	0.3
127.03914	0.4
128.06174	1.4
129.06982	13.7
131.04892	2.2
131.08548	11.0
137.05942	4.3
141.06969	8.5
143.04863	0.5
143.08562	0.9
144.05669	1.4
145.04922	0.3
145.06442	1.5
146.04973	0.3
146.07249	0.8
148.05095	0.2
151.07558	0.3
157.06462	12.0
158.07239	4.5
159.08018	10.5
160.05173	1.5
161.05956	0.5
161.09546	1.3
163.07480	1.0
169.06438	6.0
169.07693	0.3
170.07216	1.9
173.05902	0.5
174.06726	24.3
175.07509	5.7
183.08028	0.3
186.06737	5.6
187.07539	0.5
188.08318	1.2
189.09065	42.4
191.06995	0.4
191.10634	3.3
201.09077	15.4
203.10616	0.3
207.10126	1.2
219.10123	100.0
220.10391	0.5
237.11092	0.9
339.94037	0.3
345.41486	0.2
381.15271	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
53.06828	0.1
54.73977	0.1
54.81768	0.1
55.01880	0.4
57.03429	4.5
59.04978	0.2
61.02909	0.6
67.05478	0.2
68.73643	0.1
69.03415	17.0
69.07049	0.5
71.01328	0.2
71.04978	1.9
73.02895	1.4
77.03914	0.6
79.05475	6.2
81.03399	11.2
81.07021	0.8
85.02889	6.2
87.04461	1.7
91.05459	6.5
92.08743	0.4
93.07031	0.2
95.04948	5.2
95.08586	0.6
97.02869	5.0
99.04435	8.5
105.03373	100.0
105.07008	1.1
106.03696	0.2
107.08587	0.1
109.02867	4.2
109.10152	0.3
111.04415	0.1
113.57798	0.1
115.03941	0.6
117.05476	7.7
119.08569	0.2
121.10146	0.2
123.04402	12.3
124.03910	0.2
127.03889	3.0
127.12760	0.1
133.06557	0.2
133.10101	0.5
133.90233	0.1
135.06512	2.4
135.11674	0.1
137.05971	0.5
145.04930	0.7
145.10167	0.3
147.04355	0.1
153.01851	0.3
161.09650	0.6
163.11162	0.2
164.84209	0.1
179.07013	0.6
179.10623	0.1
181.10141	0.5
203.07010	0.3
221.08025	0.3
231.06471	0.2
239.09094	9.8
249.07527	6.2
257.10126	9.4
267.08563	6.4
335.81924	0.1
340.77676	0.1
351.14465	0.2
368.77759	0.1
540.28540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01863	1.6
55.05502	3.8
56.09212	0.3
57.03429	5.8
57.07053	1.4
59.04986	0.5
61.02911	0.6
67.05487	4.2
68.56202	0.3
69.03414	9.5
69.07050	9.9
71.04967	2.8
75.04459	1.4
75.83482	0.4
77.55476	0.3
79.05473	11.6
81.03403	13.2
81.07036	16.0
82.85503	0.3
83.04935	0.8
83.08595	5.0
85.02888	13.6
85.06523	2.1
86.20744	0.3
91.05460	5.6
92.08622	0.8
92.09209	1.8
93.07020	7.8
94.07355	0.4
95.04939	9.0
95.08578	11.5
97.02871	7.1
97.06506	2.1
97.10129	0.7
99.04425	2.2
99.08080	2.1
101.06007	0.5
103.05450	0.6
105.03371	100.0
105.04527	2.4
105.07005	21.0
107.04926	2.5
107.08574	7.2
109.02861	6.7
109.06490	1.7
109.10134	7.8
111.08065	1.8
111.11707	1.5
115.03976	0.4
115.05400	0.5
117.06976	0.7
119.04907	0.5
119.08527	2.8
121.06522	0.5
121.10122	4.5
122.03654	0.4
123.04411	12.9
123.08013	0.8
123.11690	4.2
125.05972	0.4
125.09551	0.4
127.03889	4.4
127.11118	0.6
131.04892	0.8
131.08551	2.1
133.06467	35.6
133.10101	3.7
135.04399	0.9
135.08046	1.5
135.11659	3.0
137.05949	59.8
137.13234	1.9
139.11073	0.5
143.08606	0.4
145.02824	0.5
145.04950	0.7
145.10095	1.8
147.04398	0.8
147.08014	0.8
147.11658	2.3
149.09639	0.6
149.13226	1.8
150.06723	0.5
151.07523	1.5
151.11111	0.5
153.12735	0.6
159.08070	0.5
159.11635	0.6
161.09601	2.4
161.13257	0.9
163.03899	3.2
163.07506	3.5
163.11078	0.6
163.14795	0.7
165.09077	18.3
165.12663	0.4
167.07080	0.5
167.08496	0.4
171.94829	0.4
173.13300	0.5
175.07495	3.2
175.11113	0.7
175.14870	0.4
177.05432	0.6
177.09105	1.6
179.06995	0.4
181.08627	0.8
181.15979	0.4
183.10115	9.4
189.09085	2.2
193.08563	0.5
199.17114	0.6
203.10663	1.4
221.11681	1.8
231.06392	0.9
239.12796	0.7
249.07539	6.4
257.13779	35.6
267.08548	9.1
267.11133	0.6
277.25174	0.9
279.23264	0.5
289.25189	1.8
295.26245	2.6
307.26224	5.2
313.27200	1.8
325.23920	0.6
325.27243	3.8
343.28244	0.6
347.14862	0.5
365.16348	0.4
443.45053	0.4
539.28217	1.4
540.28375	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.3
52.82976	0.1
53.00290	0.2
53.03718	0.2
53.03939	2.8
55.01858	0.2
57.03422	4.8
61.02898	0.9
67.05475	0.3
69.03413	16.2
69.07048	0.4
71.04978	1.5
73.02909	1.2
77.03900	0.7
79.05470	5.6
79.05898	0.3
81.03394	10.5
81.03874	0.4
81.07045	0.8
82.57365	0.2
85.02888	7.0
85.06543	0.2
87.04449	1.7
90.62903	0.1
91.05454	6.5
92.08764	0.6
92.09351	0.3
93.07011	0.6
95.04939	5.2
95.08543	0.3
97.02872	4.8
99.04433	8.2
105.03368	100.0
105.06995	0.9
106.03722	0.6
107.04928	0.6
107.08558	0.4
109.02859	4.7
109.10162	0.2
115.03873	0.2
117.05465	6.9
119.08556	0.3
121.10107	0.2
123.04401	11.9
127.03891	2.8
133.10088	1.0
135.06502	1.8
135.11632	0.3
137.05971	0.2
145.04956	0.3
161.09637	0.3
179.06938	1.2
181.10130	0.2
203.06897	0.2
218.26358	0.2
221.08043	0.4
223.42642	0.2
231.06387	0.4
239.09093	11.2
249.07503	6.7
257.10129	10.1
257.12857	0.3
267.08542	7.4
273.07693	0.2
351.14398	0.2
367.44650	0.2
385.24423	0.2
398.91116	0.2
409.78134	0.2
495.04355	0.2
505.17197	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.1
55.01851	1.7
55.42484	0.3
57.03410	1.7
61.02917	3.3
65.03922	1.5
67.05479	1.6
69.03413	6.4
70.06559	0.5
70.68018	0.3
71.04967	0.5
73.02891	0.9
81.03380	2.9
85.02890	25.7
86.09684	1.5
91.03928	0.6
93.03358	0.6
95.04945	20.8
97.02875	6.1
98.97584	0.3
99.04428	0.7
105.04465	0.7
105.07005	0.5
107.04932	0.5
109.02846	1.7
110.03616	0.6
111.04420	0.8
121.02850	1.7
123.04401	17.0
125.02332	3.9
125.05936	0.4
127.03867	4.9
128.69774	0.3
133.06441	1.5
137.05940	5.0
140.04659	100.0
145.04929	5.5
147.04382	0.4
155.07004	34.8
163.03883	2.4
163.06021	1.3
165.09045	0.5
166.02614	0.5
167.03337	2.0
167.06924	0.5
171.06508	0.5
173.08051	4.0
180.08617	1.5
181.04918	14.6
181.08482	0.6
184.54085	0.4
199.05981	48.1
237.02847	0.6
391.27216	0.4
417.75754	0.4
441.13843	0.4
540.19061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.0
54.82029	0.7
55.01857	4.7
55.05502	22.0
56.60672	0.7
57.03412	4.6
57.07064	7.1
59.04977	1.4
61.02910	1.1
65.03873	0.7
67.05490	16.5
69.03419	8.5
69.07053	100.0
71.04967	4.7
71.08630	0.9
73.06528	1.1
79.05460	9.4
80.56777	0.8
81.03389	3.1
81.07036	71.7
82.33411	0.6
83.04958	9.3
83.08607	7.2
85.02888	14.5
85.06529	25.0
86.89753	0.8
91.05461	7.4
93.07023	35.7
95.04961	8.2
95.08582	32.9
95.09196	1.1
97.02869	3.2
97.06510	10.2
97.10145	3.8
97.42188	0.7
99.04444	1.4
99.08067	6.7
101.05975	9.5
105.03374	5.4
105.07007	13.9
107.04932	1.5
107.08580	32.4
109.02849	1.5
109.06501	3.5
109.09396	1.3
109.10138	36.3
111.08070	26.5
111.11701	16.1
113.09604	0.8
117.06947	1.3
119.08574	8.1
121.06462	1.4
121.10126	23.4
123.08031	3.4
123.11673	22.5
125.09579	1.0
127.03864	1.6
127.11167	4.6
128.65804	0.7
129.12683	0.7
131.08542	3.1
133.10085	9.5
135.08044	3.6
135.11670	10.1
137.05943	6.9
137.09637	5.1
137.13232	4.7
139.11153	15.6
142.07747	0.7
145.10101	3.8
147.04355	0.9
147.11678	5.6
148.21681	0.7
149.09645	0.9
149.13232	10.2
151.07489	3.0
151.11147	13.6
153.12660	5.0
157.10077	1.1
157.12164	1.1
159.11641	3.7
161.13187	1.2
163.11153	2.9
163.14806	1.6
165.11559	0.7
165.12711	6.6
167.07076	1.3
167.10757	1.0
167.14272	31.8
171.11691	0.7
173.13167	1.5
175.07492	1.4
177.05440	0.8
177.12755	3.6
181.04990	1.2
181.12242	3.5
185.30357	0.9
187.14726	1.2
189.16139	0.8
193.15585	0.9
195.13748	1.7
199.14772	1.1
205.15764	1.0
207.06514	1.2
207.17365	0.8
208.40782	0.7
225.18340	1.5
287.23578	3.0
293.24622	3.9
299.87152	0.9
305.24701	19.7
323.25723	67.1
341.26788	28.1
343.11713	0.9
358.13910	1.5
363.53055	0.8
418.16724	0.8
539.27899	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.7
53.03934	1.3
55.01856	4.0
55.05501	26.7
57.03410	3.7
57.07068	6.7
59.04987	1.7
61.02890	0.9
65.03928	0.8
66.98576	0.9
67.05491	24.2
67.05836	1.3
67.70371	0.8
69.03417	10.7
69.07052	100.0
70.06580	1.0
70.79743	0.8
71.04596	0.7
71.04971	4.0
71.67481	0.9
73.06546	1.0
76.56066	0.7
79.05472	9.5
81.03386	3.2
81.07036	75.9
83.04973	13.2
83.08604	8.9
85.02892	13.4
85.06519	22.6
91.05474	6.9
92.08990	4.7
93.07023	38.3
95.04949	10.4
95.05479	1.4
95.08579	36.2
97.02856	4.9
97.06506	12.2
97.10150	2.1
99.04433	1.2
99.08052	9.7
101.06001	7.8
103.05420	1.0
105.03371	6.0
105.07011	14.5
107.04942	3.6
107.07872	1.3
107.08579	34.3
109.02841	1.1
109.06518	7.4
109.10140	35.0
110.07156	0.9
111.08067	28.6
111.11691	17.7
113.05937	1.0
119.04922	1.8
119.08516	7.6
120.52306	0.8
121.06511	3.3
121.10113	20.0
123.08034	4.2
123.11681	21.6
125.09592	5.1
127.03892	0.9
127.11166	4.9
131.04890	1.0
131.08521	1.3
133.10118	10.9
135.08014	3.9
135.11670	13.1
137.05952	6.6
137.09552	7.0
137.13208	4.8
139.07610	0.9
139.11168	16.5
143.08517	1.0
145.04997	1.2
145.10114	4.3
147.04318	1.1
147.11670	4.0
149.13239	12.0
151.07497	4.0
151.11174	11.9
153.12718	2.2
157.12160	1.4
159.11606	3.6
161.13196	1.8
163.11131	4.1
163.14732	1.5
165.12692	9.1
167.14272	31.4
167.15594	1.7
171.48686	0.8
173.13197	1.3
175.07446	1.8
176.07877	1.1
176.14003	0.8
177.12682	1.4
179.14244	1.7
181.04794	1.1
181.12213	3.6
181.15936	1.5
185.15384	0.9
187.14815	1.0
191.10730	0.9
209.39301	1.0
219.08110	0.9
221.10071	0.8
225.18462	1.8
269.22537	1.0
287.23669	1.3
293.24649	2.1
305.24692	20.7
323.25735	69.4
326.18347	1.0
341.26703	24.7
358.13889	3.6
359.27570	1.0
401.15665	1.4
480.63800	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43954	0.7
67.05486	1.4
69.07050	0.9
79.05462	0.9
81.07049	1.3
92.09119	1.9
93.07008	1.4
105.07030	1.0
119.08579	1.3
121.10090	0.9
186.26729	0.8
188.92470	1.5
203.05338	1.1
214.93568	0.9
421.70325	0.9
539.31897	100.0
540.31915	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.4
53.00277	0.2
53.03934	5.0
55.01861	0.4
55.05495	0.5
55.59588	0.2
55.59922	0.3
57.03423	1.1
67.01850	9.6
67.05492	0.6
68.99763	3.1
69.03419	7.9
69.07048	1.1
71.04975	1.2
71.06406	0.2
73.02894	0.3
77.03925	0.3
79.05467	4.9
81.03395	20.4
81.07027	1.4
83.04944	0.3
85.02885	7.6
86.86460	0.3
91.05477	2.4
92.09219	1.6
92.64862	0.3
93.07045	1.9
95.04942	8.4
95.08581	1.6
97.02254	0.6
97.02865	13.2
97.03493	0.5
97.06517	0.4
99.03851	0.3
99.04440	1.8
105.03369	99.0
105.06966	1.9
106.03693	1.4
107.04906	2.1
107.08588	1.3
108.08932	0.3
108.85412	0.2
109.02850	7.8
109.06470	0.3
109.10110	1.0
119.04910	4.8
119.08562	1.1
120.08903	0.3
121.02846	0.5
121.06498	3.2
121.10110	0.4
123.04396	7.4
123.11619	0.3
125.02317	1.5
125.09621	0.3
127.03885	6.7
129.01796	2.0
131.08563	0.7
133.10091	0.3
137.09518	0.4
145.04944	1.5
145.10083	0.6
147.04384	17.5
150.13850	0.3
151.03893	0.6
153.01802	100.0
157.10255	0.4
159.11612	0.4
163.03839	0.3
163.11053	0.3
167.03468	0.3
171.02847	61.8
177.01826	0.4
179.03387	2.4
191.03284	0.6
195.02852	4.7
201.16356	0.3
203.14090	0.3
219.02846	1.1
231.06525	1.3
249.07509	15.7
250.07921	0.4
261.03922	1.4
267.08578	3.4
273.07507	58.8
274.07706	0.4
288.42722	0.3
297.07364	0.4
315.08633	1.7
320.50363	0.3
339.08606	0.9
363.08511	0.5
381.09384	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	20.7
55.49848	2.6
56.83116	3.6
57.03425	7.0
57.07066	100.0
67.05479	29.5
69.07052	23.4
71.08614	71.5
75.70003	3.1
77.19604	2.9
79.05499	4.3
81.07031	34.6
83.08598	19.2
85.02883	4.6
85.10157	39.3
88.04375	3.0
91.03992	4.0
93.07043	8.1
95.08598	67.8
95.66732	3.4
97.10157	18.9
109.10153	18.6
111.11696	8.0
119.08540	3.7
123.11707	7.8
147.11723	3.4
267.26813	21.4
279.66989	3.6
283.84570	4.0
292.18188	4.4
341.30460	98.0
359.31570	18.1
455.85617	3.8
516.11835	4.1
541.24048	3.7
549.71887	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	538.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	1.9
53.03951	3.8
55.00034	1.5
55.05508	21.5
57.03428	2.1
57.07057	3.9
59.04977	2.6
60.62726	1.6
67.05489	23.7
69.03405	11.0
69.07051	24.4
71.04971	22.0
79.05478	32.7
81.03403	15.8
81.07039	63.5
83.04955	10.2
83.08596	15.1
85.02869	12.4
85.06530	8.3
87.04484	2.0
91.05454	22.0
92.08889	6.5
93.07019	62.4
95.04936	16.8
95.08586	85.1
97.02868	4.3
97.06496	12.0
97.10143	7.7
99.08054	4.7
101.06003	2.5
105.03370	100.0
105.07009	80.6
107.04935	2.4
107.08574	80.6
109.02860	2.1
109.06497	9.8
109.10131	46.7
111.08037	4.6
113.05979	2.4
117.06992	8.3
118.73913	2.0
119.07716	3.4
119.08549	72.9
121.06497	3.9
121.10124	52.7
123.04427	16.3
123.08027	8.8
123.11697	20.8
125.09602	16.6
127.03876	4.2
127.07542	8.7
129.06961	2.3
131.08537	31.6
133.06456	4.2
133.10106	86.7
135.08026	3.7
135.11668	27.6
137.05890	2.1
137.09624	3.5
143.08553	11.2
143.10641	11.7
145.10098	53.2
147.08009	9.5
147.11665	43.2
149.05823	2.4
149.09607	4.0
149.13249	33.7
151.07477	3.0
151.11162	3.6
153.09030	2.5
155.07022	2.2
157.10101	8.2
159.08035	2.1
159.11661	33.1
161.09692	2.9
161.13222	29.6
163.03842	2.3
163.11113	8.3
163.14771	23.7
165.08951	2.0
165.12660	2.7
167.10545	2.7
167.14281	27.2
171.11673	11.4
173.09560	3.1
173.13210	22.3
175.14786	31.2
177.16335	28.0
183.11641	2.8
185.13286	4.7
187.11176	2.1
187.14796	42.1
189.12738	2.7
189.16347	56.5
191.10634	2.6
191.14191	2.3
191.17908	13.4
199.14766	7.7
201.16382	36.6
201.21700	2.3
203.14246	3.1
203.17906	60.8
205.15807	2.9
207.10095	2.1
209.11620	3.3
213.16356	7.5
215.17902	8.7
219.13757	3.5
219.17404	18.7
223.13324	3.0
227.18022	3.1
229.15851	2.7
229.19429	8.1
230.07680	2.0
231.13579	2.3
235.16768	2.5
237.14761	3.2
237.18431	3.0
247.17023	3.0
249.07530	12.7
249.14772	7.4
249.18456	4.1
267.08575	18.8
267.15915	3.1
271.15369	8.5
286.68524	2.5
289.96008	2.1
374.89130	1.9
401.75195	2.0
411.32382	2.6
421.31110	3.6
427.32135	2.8
431.31104	2.9
439.31976	27.9
457.33060	35.8
475.34091	70.0
477.35660	4.7
485.32492	13.9
503.33563	11.2
521.34570	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	538.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
54.81585	0.5
55.01856	2.9
55.05503	11.3
55.76128	0.6
57.03424	6.7
57.07060	3.4
59.04976	0.9
61.02913	9.0
67.05492	15.9
69.03069	1.0
69.03418	21.2
69.07056	12.9
71.04969	3.9
71.08599	0.8
73.02888	4.0
79.05470	7.1
81.03402	15.5
81.07038	41.2
83.04939	1.1
83.08597	8.6
84.95989	1.0
85.02892	100.0
85.06540	6.8
91.03939	2.8
91.05447	5.6
92.09106	3.2
93.07027	13.5
95.04935	4.3
95.08590	35.2
97.02869	26.6
97.10150	9.2
99.04420	4.4
99.08054	0.8
103.03960	0.7
105.03378	50.0
105.07011	10.4
107.08584	16.7
109.02883	13.0
109.06505	1.2
109.10141	43.9
111.04408	0.7
115.03983	0.8
117.06976	2.7
119.08563	7.4
121.10107	10.0
123.04416	5.4
123.07983	1.2
123.11683	26.6
125.09603	1.0
127.03892	20.2
127.11150	1.6
131.08530	3.9
133.10078	8.4
135.08057	0.6
135.11708	4.7
137.13246	5.0
143.08551	2.7
145.04941	16.7
145.10114	9.9
147.11635	5.3
149.13214	3.8
157.10074	2.9
159.11641	7.0
161.09596	0.9
161.13255	3.2
163.06000	6.9
171.11731	1.1
173.09578	0.7
173.13179	3.5
175.14777	3.1
177.16322	3.4
179.17946	10.7
180.22495	0.7
187.14775	1.2
189.12653	0.7
191.17914	1.3
197.01115	0.8
197.18980	7.7
199.14694	0.8
201.16383	4.2
203.14334	1.1
203.17789	0.8
205.15854	1.3
209.13274	4.9
209.18951	4.3
215.02238	1.0
215.17941	0.9
219.17360	1.4
249.07576	8.7
267.08630	7.4
305.20895	1.0
359.24066	3.3
457.32904	0.8
475.34091	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03763	0.3
53.03940	4.5
55.01860	0.8
55.05501	3.8
57.03421	1.8
57.07062	0.7
57.32359	0.3
61.02940	0.3
61.53860	0.3
65.03918	0.6
67.05490	4.3
69.03413	8.4
69.07057	6.5
70.06572	0.3
71.04977	4.5
77.03918	0.4
79.05475	12.7
80.90630	0.3
81.03397	13.1
81.07036	13.3
83.04967	0.6
83.08616	0.7
85.02887	11.2
91.05457	8.2
92.08982	2.7
93.07020	24.0
95.04946	7.7
95.08575	6.3
97.02869	7.4
97.06495	1.6
97.10150	0.7
99.04417	2.6
105.03373	100.0
105.07007	11.4
106.95019	0.3
107.08575	38.3
109.02856	6.8
109.06525	2.6
109.10144	4.1
111.08065	0.5
117.06989	1.8
119.08545	5.6
121.06490	0.8
121.10120	18.5
123.04395	12.0
123.08057	0.8
123.11690	1.3
125.09646	0.5
127.03888	6.0
129.06949	0.5
130.07791	0.5
131.08556	3.1
133.10088	4.8
135.11650	1.6
137.05919	0.7
143.08568	1.4
144.09364	0.5
145.04935	1.4
145.10097	7.0
147.04391	0.8
147.11699	2.8
149.13237	14.2
151.07565	0.7
151.11121	0.4
153.01811	1.4
157.10146	0.5
159.07986	0.4
159.11644	3.3
161.13258	2.1
163.11142	0.4
165.12686	0.5
167.07051	0.4
171.11627	0.6
173.13249	1.3
175.14729	0.7
187.14845	1.4
197.13329	0.4
201.16356	5.0
209.13307	0.4
219.17398	3.1
249.07526	14.6
267.08554	15.1
267.68930	0.4
273.07272	0.4
341.17578	0.4
397.19775	0.5
485.32715	0.5
516.47418	0.4
545.45667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.3
55.01861	0.8
55.05502	4.9
57.03437	0.9
57.07067	1.3
57.57061	0.6
61.02890	1.0
61.32039	0.6
67.05490	8.3
69.03408	9.0
69.07046	6.1
71.04977	4.3
79.05476	11.0
81.03400	11.2
81.07038	20.5
83.04982	1.4
83.08595	5.2
85.02892	10.1
85.06519	3.6
86.09689	2.8
91.05459	6.3
92.08987	6.2
93.07019	12.6
94.09762	0.6
95.04939	7.8
95.08585	19.6
97.02869	4.6
97.06520	1.5
97.10136	1.0
99.04441	17.4
105.03373	100.0
105.06992	7.1
107.08577	14.2
109.02896	6.7
109.06504	3.1
109.10146	14.2
117.06985	2.6
119.08548	12.4
121.10123	23.5
123.04405	12.7
123.08006	1.5
123.11680	15.7
124.99993	1.0
125.09559	1.2
127.03886	5.2
127.07523	1.0
129.06955	0.8
131.08559	0.9
131.60742	0.7
133.10104	10.2
135.08009	1.6
135.11685	8.0
137.09622	1.1
143.08566	0.8
145.10103	6.3
147.11679	2.8
149.09605	1.1
149.13258	3.1
159.11690	6.1
161.13188	6.4
163.11093	1.6
167.10620	1.1
171.11542	0.8
173.13193	0.9
175.14778	4.1
177.12654	1.1
177.16359	16.4
178.46609	0.7
179.14273	1.2
181.12146	2.8
184.07347	4.4
185.07553	0.8
185.13249	0.7
201.16397	8.7
219.17432	10.8
237.18439	24.2
249.07437	5.5
255.19487	11.8
267.08566	11.7
344.31552	1.0
475.34006	1.2
538.42712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.6
53.03936	5.7
54.82376	0.5
55.01859	1.2
55.05505	6.6
57.03421	0.8
57.07058	2.1
59.04977	0.6
67.05492	10.2
69.03423	8.0
69.07055	7.0
71.04975	7.2
73.06538	0.7
79.05473	15.6
81.03400	13.4
81.07040	27.5
83.04971	10.6
83.08610	2.8
85.02895	8.7
85.06519	0.6
91.05459	18.1
92.09257	0.7
93.07022	32.5
95.04952	12.4
95.08588	20.4
97.02879	7.7
97.06512	6.0
99.04440	2.0
99.08068	0.8
100.43552	0.6
103.03996	0.5
105.03378	100.0
105.07014	49.8
107.08581	27.1
109.02863	8.2
109.06497	2.2
109.10149	10.3
115.05422	0.7
117.07036	4.6
117.30742	0.5
119.08562	16.8
121.10123	16.1
123.04408	9.5
123.08003	1.0
123.11694	2.9
125.09595	5.7
127.03873	4.5
128.06244	0.9
129.07004	2.2
130.07771	2.3
131.08548	15.8
133.10109	60.2
135.08060	1.0
135.11673	6.1
137.13266	1.2
142.07768	0.8
143.08565	3.4
143.10683	3.5
144.09239	1.5
145.10109	27.5
145.11224	1.1
147.11665	6.8
149.13237	5.2
151.11269	0.7
157.10117	3.5
159.11665	23.6
161.13193	3.8
163.11169	0.8
167.14307	6.2
171.11635	0.7
173.13271	3.5
175.14832	2.3
177.12801	0.6
183.11766	0.8
187.14807	0.6
189.16373	0.7
191.17935	0.7
199.14856	0.9
201.16364	17.2
203.17909	0.8
217.12558	0.6
219.17409	17.4
219.19463	0.7
231.06555	0.6
237.18323	1.0
249.07494	8.7
259.09662	0.6
260.10095	0.7
267.08606	10.6
272.02945	0.5
327.19312	0.5
401.47635	0.5
422.25995	0.5
553.80566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.4
53.03944	3.6
55.01863	0.5
55.05507	6.2
57.03415	1.7
57.07059	1.8
65.03925	0.4
66.63802	0.4
67.05493	11.1
69.03413	7.5
69.07053	5.9
71.04980	1.9
79.05475	16.0
81.03400	12.1
81.07037	20.5
83.04968	6.4
83.08598	0.8
85.02890	9.1
85.06523	1.3
91.05460	13.1
92.08991	2.7
93.07024	27.8
95.04952	10.7
95.08585	17.9
97.02874	7.4
97.06513	3.6
99.04425	2.4
105.03374	100.0
105.07010	30.4
106.03761	0.5
107.04922	0.5
107.08571	30.8
109.02863	7.0
109.06483	2.8
109.10138	12.1
111.08075	1.8
117.07004	7.3
118.35773	0.4
119.08557	15.7
119.09396	0.8
121.06472	0.5
121.10121	13.1
123.04410	11.9
123.08049	2.1
123.11688	2.9
125.09617	2.4
127.03885	5.5
129.06981	2.0
130.07765	3.2
131.08543	15.1
133.10109	16.3
135.08046	0.8
135.11665	5.8
137.09647	0.6
137.13243	1.7
139.89934	0.4
143.08528	2.2
144.09328	3.1
145.04977	1.4
145.10109	23.9
146.10840	0.8
147.11681	4.7
149.13226	4.4
151.11121	0.7
155.08527	0.4
157.10139	0.8
158.10913	0.4
159.11662	18.0
159.12941	0.7
161.13181	3.4
163.11127	1.8
165.01193	0.4
173.13252	3.9
175.14754	2.9
189.16534	0.4
191.18042	0.4
199.14787	0.5
201.16360	15.2
203.18095	0.4
219.17371	5.1
237.07742	0.4
237.18417	0.5
249.07501	13.5
253.93791	0.4
267.08588	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.6
53.03938	5.7
55.01854	1.0
55.05507	7.0
56.96542	1.4
57.03419	1.0
57.07051	1.0
59.04964	0.8
61.02908	0.7
67.05492	14.9
68.88658	0.6
69.03415	10.3
69.07050	8.9
70.47697	0.6
71.04978	5.8
79.05473	19.1
81.03398	14.6
81.07035	72.4
83.04943	3.1
83.08587	3.1
84.96000	3.0
85.02882	13.6
85.06514	3.4
91.05452	12.5
92.08956	4.7
93.07022	32.2
95.04952	10.7
95.07996	1.2
95.08577	19.6
97.02862	10.1
97.06483	3.9
97.10123	1.0
97.22589	0.6
99.04410	1.5
103.05441	0.7
105.03371	100.0
105.07008	32.2
106.03717	0.9
107.08575	25.5
109.02868	8.0
109.06497	4.9
109.10132	15.1
111.08041	4.3
117.06995	4.9
118.76821	0.6
119.08559	22.3
119.81503	0.7
121.06459	1.4
121.10120	14.5
123.04398	8.4
123.08024	4.5
123.11670	4.0
125.03138	0.7
125.09554	0.7
127.03889	5.4
129.07014	2.5
130.07758	2.7
131.08540	14.7
133.10100	20.0
135.08006	1.4
135.11674	6.2
137.05995	0.9
137.09607	3.2
144.09262	1.3
145.04921	1.4
145.10095	27.4
147.11661	4.8
149.09570	2.5
149.13240	3.4
151.11133	2.7
157.10106	3.4
159.11633	18.0
159.78847	0.7
161.13235	6.3
163.11142	6.9
165.12732	1.3
171.11653	1.2
173.13194	4.0
175.14764	3.4
177.12740	1.2
191.17859	1.2
197.01208	4.1
201.16331	17.2
203.14197	0.8
215.02222	4.2
219.17407	10.8
239.02234	1.2
249.07483	10.3
256.45657	0.8
267.08578	12.0
300.81009	0.7
341.05307	1.2
386.38074	0.9
456.09561	2.9
498.10986	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.5
53.03944	4.4
55.01867	3.9
55.05498	2.3
57.03432	6.1
59.04993	0.7
60.04533	0.4
61.02914	10.8
67.05482	3.8
69.03416	24.8
69.07048	2.8
70.06577	2.7
71.04976	5.2
73.02911	4.3
77.44164	0.4
79.05476	3.1
81.03402	11.0
81.07039	7.1
82.07358	0.5
83.01315	0.8
83.04964	1.1
84.04475	0.5
85.02891	100.0
85.06519	3.3
87.04453	2.0
91.03940	4.5
91.05463	6.1
93.07010	6.6
95.04341	0.6
95.04948	27.7
95.08580	5.2
97.02872	32.6
97.06538	1.2
97.10101	0.8
98.06030	0.9
99.04434	6.4
103.03935	0.5
105.03381	10.4
105.04502	0.7
105.06361	0.7
105.07014	12.1
107.04936	1.1
107.08579	5.0
108.08920	0.6
109.02866	12.0
109.06509	5.4
109.10111	4.5
111.04407	0.6
111.08073	1.0
115.03888	0.6
117.06961	0.8
119.08575	3.6
121.06479	0.5
121.10110	3.9
123.04398	6.4
123.08025	1.2
123.11667	2.1
125.09594	0.9
126.05443	0.5
127.03889	20.4
131.08513	1.8
133.06474	5.7
133.10091	3.1
135.08125	0.7
135.11652	2.0
137.05957	13.9
137.09583	4.5
140.04668	9.8
144.06548	2.0
145.02878	0.6
145.03821	1.0
145.04945	24.1
145.10069	2.3
147.04344	0.7
147.08002	0.6
147.09132	1.1
147.11653	2.2
151.03946	3.4
151.11122	0.7
152.04222	0.9
153.05437	3.1
155.07013	5.8
159.11676	0.8
161.09589	0.6
161.13185	1.1
163.05965	7.8
163.11113	1.2
165.09084	65.4
173.08070	0.7
173.13136	0.6
177.05441	2.1
179.10648	1.0
180.08676	0.5
182.09370	5.2
187.14809	0.5
197.11699	98.8
198.12036	0.8
201.16165	0.6
249.07518	0.7
272.10226	0.9
304.23373	0.5
305.24435	0.8
308.43729	0.6
321.23920	0.9
322.24197	0.6
324.12787	0.7
325.11014	0.8
453.33856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09417	0.1
53.00299	0.2
53.03928	0.5
55.05510	0.8
57.03417	0.1
59.04964	0.1
64.61135	0.1
67.05499	1.1
69.03410	1.0
69.07056	1.1
71.04965	0.2
79.05471	1.2
81.03401	1.0
81.07040	2.3
82.07318	0.1
83.04982	0.4
83.08618	0.2
85.02889	1.1
85.06543	0.2
86.09710	0.2
91.05456	1.2
92.08986	0.5
93.07027	1.5
95.04944	1.3
95.08585	1.8
97.02872	100.0
97.06516	0.5
97.10144	0.2
98.03214	0.2
99.04436	0.3
105.03377	13.5
105.07023	1.4
106.03735	0.2
107.08588	1.6
109.02866	0.6
109.06508	0.4
109.10146	1.3
111.04424	0.2
111.08043	0.2
111.11707	0.1
113.51144	0.1
114.05503	0.2
119.04918	0.2
119.08572	0.9
121.06465	0.1
121.10133	1.3
123.04414	0.7
123.08037	0.1
123.11678	0.7
124.99973	0.2
125.09642	0.2
127.03929	0.5
131.08562	0.8
133.10069	0.9
135.07961	0.1
135.11690	0.6
137.05939	0.3
137.09612	0.1
139.03906	0.1
139.11121	0.2
143.10573	0.1
145.10098	1.2
147.04393	0.2
147.08167	0.1
147.11655	0.3
149.13249	0.5
151.11110	0.1
157.10182	0.2
159.11684	0.7
161.13217	0.7
163.03839	0.2
163.11111	0.1
169.10201	0.1
173.13223	0.3
177.09261	0.1
184.07362	0.5
189.16307	0.1
201.16370	0.9
203.17786	0.1
205.18137	0.1
219.06476	2.9
219.17168	0.3
237.07532	3.6
249.07497	0.5
255.19485	0.1
267.08621	0.6
303.22971	0.1
305.24622	0.3
323.25754	0.6
375.21524	0.2
376.21741	0.5
381.11713	0.5
537.26459	0.2
538.26318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
54.81330	0.1
55.01865	0.4
55.05508	2.5
57.03431	6.6
57.07057	0.7
58.26775	0.1
59.04949	0.1
61.02919	2.3
62.20164	0.1
67.05492	2.3
69.03417	11.7
69.07053	2.8
70.06571	0.3
71.01326	0.6
71.04967	1.1
73.02904	12.8
77.03895	0.3
79.05476	3.1
81.03400	2.4
81.06596	0.3
81.07041	5.7
83.04961	1.1
83.08610	2.3
85.02895	5.4
85.06541	1.1
87.04444	0.3
88.87092	0.2
91.03916	0.2
91.05456	1.9
92.08729	0.8
92.63371	0.2
93.07028	4.1
95.04953	3.8
95.08582	3.9
96.08936	0.2
97.02870	4.6
97.06506	1.5
97.10151	0.9
99.04446	0.9
99.08083	0.3
100.07584	1.0
100.11246	2.8
105.03378	100.0
105.06989	2.3
106.03711	0.3
107.04976	0.2
107.08582	3.9
108.08914	0.2
109.02879	1.8
109.06536	0.6
109.10145	2.6
111.04434	1.5
111.08074	0.6
114.36268	0.2
115.03932	1.5
117.06995	0.3
119.04934	1.5
119.08540	1.6
121.06477	0.3
121.10126	2.9
122.10452	0.2
123.04418	3.6
123.08026	0.3
123.11687	1.2
125.09621	0.4
127.03896	8.7
127.07554	0.2
128.07079	0.9
129.06963	0.2
131.04901	0.2
131.08533	0.3
133.04982	0.2
133.10074	1.3
135.04408	0.2
135.08073	0.3
135.11664	1.1
137.09631	0.7
137.13243	0.3
139.11249	0.2
140.06996	0.3
145.02800	0.2
145.04951	1.4
145.10103	1.0
147.04404	5.0
147.11639	1.5
148.04741	0.2
149.09607	0.3
149.13232	4.6
151.11179	0.2
157.10095	0.6
159.11688	0.7
161.09627	0.3
161.13268	0.7
163.03897	0.6
163.07596	0.2
163.14854	0.2
167.06976	0.2
167.14365	0.5
170.81497	0.2
171.11688	0.2
173.13200	0.4
175.07455	0.2
175.11189	0.3
175.14812	0.2
177.12886	0.2
177.16379	0.9
178.16702	0.3
181.12190	0.3
182.15367	3.7
184.07315	0.2
184.16960	2.0
187.15004	0.2
189.09073	0.2
193.12169	0.2
201.16415	0.3
210.14883	3.5
219.17459	0.2
225.66991	0.2
231.06516	2.3
237.07397	1.1
243.88095	0.1
249.07497	3.2
254.17206	0.2
266.21085	1.8
267.08582	23.0
268.08807	0.2
294.20679	1.3
305.24670	1.5
323.25772	0.9
337.21069	0.2
341.26749	0.2
355.22147	0.2
375.21304	1.6
376.21661	1.1
377.23041	0.2
399.12067	0.2
418.33530	0.2
503.18799	0.3
520.37231	2.1
537.26434	0.9
538.26410	1.1
538.38342	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	538.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50375	0.1
51.02371	0.3
51.92495	0.1
53.00301	0.1
53.03936	4.2
55.01857	0.3
55.05493	0.9
57.03431	1.2
61.02904	0.4
66.67641	0.1
67.05490	0.9
69.03415	6.4
69.07051	1.3
70.06563	0.2
71.04976	3.2
73.02890	0.2
77.03924	0.4
79.05470	5.6
81.03398	12.3
81.07032	2.2
83.04950	0.7
83.08576	0.3
85.02888	6.6
85.06529	0.2
87.04456	0.4
91.05441	1.8
92.09061	0.8
93.07030	2.1
95.04948	5.6
95.08581	2.1
97.02867	10.5
97.06495	0.2
99.04433	1.9
99.08078	0.2
105.03371	100.0
105.06998	2.6
106.03738	0.3
107.04938	0.4
107.08545	1.5
109.02854	6.8
109.06503	0.2
109.10148	1.1
114.57040	0.2
115.03918	1.0
117.03310	0.2
119.04903	0.2
119.08562	1.5
121.06471	0.2
121.10143	1.3
123.04408	10.6
123.11648	0.9
125.09595	0.2
127.03893	4.9
131.04878	0.3
131.08522	0.6
133.04947	5.7
133.10107	1.8
134.10522	0.2
135.04408	0.3
135.08046	0.4
135.11642	0.8
137.05991	0.4
144.36377	0.2
145.02841	0.2
145.04930	1.2
145.10100	0.3
147.04376	0.6
147.11667	0.3
149.13228	0.3
151.11151	0.8
157.33269	0.2
159.11687	0.3
161.09604	0.9
163.03911	1.2
163.11105	0.7
165.10477	0.2
166.08562	0.2
167.07030	0.3
175.14737	0.3
179.10617	0.4
189.09053	0.3
191.17932	0.3
207.10100	0.3
231.06500	0.4
237.07518	3.0
249.07524	10.4
255.08554	2.1
267.08575	11.7
305.24646	0.3
323.25632	0.9
325.77158	0.2
351.14417	0.2
359.28467	0.2
361.01819	0.2
375.21075	0.3
537.26495	0.6
538.28149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.6
55.01860	0.3
55.05496	4.9
56.96561	0.3
57.03423	7.2
57.07057	0.6
59.04964	0.4
61.02915	3.2
67.05489	4.9
68.99700	0.2
69.03408	12.9
69.07053	3.9
69.51615	0.2
70.06556	0.5
70.07378	0.3
71.04960	1.2
71.08598	0.4
73.02893	12.6
77.03903	0.5
79.05460	4.6
81.03388	4.0
81.07031	9.7
82.07380	0.3
83.04954	1.9
83.08591	4.5
84.08116	0.5
85.02877	6.8
85.06526	1.3
86.03217	0.4
87.04446	0.5
91.05444	3.9
93.07022	6.1
95.04938	5.1
95.08577	5.3
96.08886	0.6
97.02866	5.5
97.06498	2.5
97.10157	1.3
98.09631	0.3
99.04420	1.7
100.07578	2.1
100.11225	6.1
103.05528	0.3
105.03362	100.0
105.06993	3.5
107.04955	0.3
107.08562	6.3
109.02837	2.3
109.06481	1.3
109.10130	4.4
110.10491	0.3
111.04418	3.2
111.08075	0.6
112.07536	0.9
115.03924	2.0
115.07563	0.3
117.06909	0.3
119.04903	3.6
119.08540	3.2
121.06481	0.3
121.10107	4.7
123.04391	3.6
123.08058	0.6
123.11664	2.1
125.06058	0.2
127.03886	8.4
128.06224	0.4
128.07031	2.2
131.04906	0.3
131.08559	1.7
133.02744	0.3
133.04904	0.4
133.06380	0.3
133.10065	2.3
135.04436	0.3
135.08023	0.6
135.11668	1.7
137.05945	1.0
137.09576	0.5
137.13246	1.0
140.07050	0.6
143.08531	0.3
145.02914	0.3
145.04936	1.5
145.10124	1.2
147.04378	9.7
147.11685	2.2
149.13219	7.9
150.07744	0.3
153.05560	0.3
157.10049	0.4
159.11668	0.5
161.09566	0.4
161.13303	0.4
163.03859	1.5
163.14825	0.5
165.05446	0.3
165.09129	0.3
167.07019	0.4
167.14282	1.1
173.13126	0.3
175.14796	0.3
177.16373	1.6
178.16681	0.4
182.15355	7.5
184.16896	5.1
187.14816	0.3
193.12057	0.4
197.11687	0.3
201.16325	0.4
209.16470	0.6
210.12965	0.3
210.14847	8.8
219.06470	0.3
219.17618	0.3
227.17421	0.3
228.15935	0.5
231.06474	2.5
237.07471	0.6
242.11508	0.3
245.18581	1.1
249.07474	4.1
250.21452	0.4
266.21091	4.3
267.08545	21.2
272.18521	0.3
276.19775	0.3
294.20538	3.1
305.24628	2.1
321.86331	0.3
323.25815	1.9
337.21017	0.4
341.26801	0.6
355.22128	0.5
375.21222	3.0
376.21732	1.7
503.19052	0.3
520.37231	3.5
537.26367	2.0
538.27380	1.9
538.38300	12.2
547.76483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.5
53.03938	6.5
55.01856	1.8
55.05497	1.8
57.03421	2.3
61.02912	0.9
67.05486	2.3
69.03413	16.7
69.07036	2.2
71.04955	3.4
72.09098	0.4
73.02903	1.8
73.06552	0.6
77.93384	0.4
78.03441	14.8
79.05486	3.5
80.04993	2.2
81.03400	30.4
81.07030	3.1
82.03751	0.9
82.43557	0.4
83.04964	1.1
83.70847	0.4
85.02886	18.2
85.06530	1.8
86.03206	1.0
87.75060	0.4
91.05458	27.8
93.07015	3.1
95.04949	3.0
95.08595	3.4
96.04488	4.2
97.02873	13.4
97.06493	1.0
99.04428	5.7
101.20245	0.5
103.05442	0.5
105.03378	33.2
105.07014	5.9
106.02915	63.1
106.03695	11.2
107.03939	0.4
107.08585	4.0
109.02866	17.1
109.06506	1.0
109.10140	2.8
110.03181	0.5
110.05999	0.5
110.10463	0.5
111.08047	1.8
115.03965	0.5
119.08564	3.6
121.06483	0.7
121.10111	2.9
122.10499	0.6
123.04433	3.8
123.08024	1.0
123.99039	0.5
124.03932	100.0
125.05986	0.6
125.09596	0.7
127.03905	8.2
128.04265	0.8
129.07043	0.6
131.08577	1.7
133.10110	7.4
135.08035	0.8
135.11691	2.0
137.09610	1.0
143.08517	0.5
145.04951	2.2
145.10109	1.9
147.11697	1.0
147.39854	0.5
149.09575	0.8
149.13194	0.7
151.11192	0.6
159.11664	0.7
161.09538	0.8
161.13249	0.9
162.06725	0.7
163.07506	1.0
163.11046	0.5
165.05446	0.5
166.04994	0.7
173.13222	1.9
178.09883	2.5
179.14273	1.0
181.08580	4.1
191.14311	1.9
194.09370	2.8
207.10080	0.7
209.11687	11.2
209.15335	2.2
211.16937	1.1
212.17303	0.6
232.06085	2.0
249.07480	3.6
250.07072	22.8
251.07912	0.9
260.71326	0.4
267.08591	4.2
268.08139	29.8
269.09146	1.9
286.09253	4.3
286.27191	0.5
412.12210	0.8
430.13342	13.5
473.32666	0.6
538.19049	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
53.34584	0.5
53.43559	0.5
54.14002	0.5
54.81457	0.6
55.01853	0.7
55.05509	5.0
57.03426	2.4
57.07061	2.5
59.04982	0.7
60.17840	0.5
62.94402	0.5
67.05487	3.8
69.03406	5.1
69.07052	17.4
71.04962	1.1
73.06522	1.2
76.64597	0.6
79.05472	5.3
81.03393	5.8
81.07037	13.8
82.03724	0.7
83.04964	2.5
83.08607	2.7
85.02884	11.9
85.06526	1.3
86.03236	1.1
86.09713	0.7
88.34946	0.7
91.05464	5.6
92.09059	1.3
93.07014	11.1
95.04948	2.6
95.08572	11.6
97.02860	5.0
97.06502	1.1
97.10139	2.6
99.04426	1.1
103.05437	1.0
105.03374	31.0
105.07007	21.8
106.03014	1.0
106.03694	11.0
106.07398	0.6
107.08575	13.2
109.02850	4.1
109.06496	5.5
109.10162	8.0
110.03196	0.8
111.08066	3.1
111.11715	4.3
114.29304	0.5
117.06986	4.7
119.08554	17.6
121.06487	2.5
121.10110	11.2
123.04421	3.1
123.08058	3.5
123.11703	1.4
124.04775	0.7
125.09618	2.5
125.61691	0.5
127.03902	4.1
129.06970	3.9
131.04900	3.0
131.08536	15.3
133.06477	1.3
133.10092	11.0
134.10442	0.9
135.08041	3.3
135.11623	4.3
136.11993	0.6
137.05972	1.2
137.09601	3.2
137.13257	1.4
138.09908	1.1
139.11121	4.9
141.06969	0.7
142.07770	1.0
143.08539	8.1
145.04955	2.4
145.10107	14.3
147.08028	2.5
147.11685	4.0
149.09590	3.2
149.13129	1.2
151.11060	0.9
155.08554	3.5
156.09323	2.4
157.10124	7.2
158.10811	1.4
159.08023	0.9
159.11641	7.6
161.09592	3.7
161.13184	7.6
163.06030	0.7
163.07550	0.7
163.11191	2.4
163.14774	4.2
165.12758	0.7
168.09271	1.0
169.10106	3.1
170.10860	1.2
171.11653	51.1
173.13210	21.3
175.14738	5.9
176.15152	0.8
177.12723	1.5
177.16422	4.3
183.11624	7.3
185.13237	6.3
187.11134	1.2
187.14778	1.2
189.12698	61.3
191.14264	23.5
191.15904	1.2
193.15883	1.4
195.11681	1.0
195.17540	4.4
197.13210	3.0
199.14821	1.2
201.12686	12.0
203.14244	7.6
205.15906	1.2
209.13214	1.0
211.14977	0.9
211.16873	5.5
212.17262	2.9
213.18546	5.3
215.14279	1.2
217.12294	1.0
217.15802	1.1
219.13766	33.2
221.15347	0.8
229.15720	0.7
249.07484	4.2
250.07867	4.0
267.08640	5.7
268.06100	0.6
268.08884	5.6
269.19119	0.7
407.29318	0.9
437.30154	0.8
443.31442	0.8
455.31537	5.2
473.32513	100.0
491.33392	9.9
519.32990	1.1
537.20502	0.8
537.34106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86731	0.6
53.03948	1.1
54.35242	0.5
55.01853	0.7
55.05492	3.1
57.03409	0.5
57.07053	0.6
59.04986	0.9
60.67101	0.5
62.26128	0.5
66.01018	0.6
67.05493	4.9
69.03406	5.2
69.07056	4.8
71.04973	1.5
79.05482	4.7
81.03403	1.5
81.07036	14.7
83.04958	1.0
83.08589	1.4
85.02899	5.0
85.06532	1.4
90.18230	0.6
91.05447	7.4
92.09281	0.9
93.07018	12.9
95.04929	1.6
95.08576	11.1
97.02877	2.8
97.06514	1.0
99.04443	1.0
105.03376	5.5
105.07013	24.6
107.04957	2.6
107.08582	13.2
109.06518	6.4
109.10136	5.8
110.06817	0.7
111.08048	1.6
117.06977	4.5
119.08567	17.1
121.06481	1.5
121.10103	9.1
123.08042	2.8
123.11638	1.4
124.03926	1.3
125.09531	0.8
129.06976	4.7
131.08560	17.1
133.06459	1.0
133.10118	13.2
135.04390	0.7
135.08034	3.3
135.11632	2.9
137.05942	2.8
137.09521	1.1
141.07028	0.9
143.08527	9.4
144.09334	0.8
145.06519	1.2
145.10104	15.8
147.07973	2.7
147.11691	7.5
149.09615	3.3
149.13225	1.2
151.03857	3.1
151.11153	0.8
154.22903	0.7
155.08522	3.2
156.09311	1.1
157.10107	9.6
158.10909	0.9
159.08006	1.2
159.11635	10.2
161.09561	3.9
161.13242	8.1
163.14790	1.4
169.10085	4.1
170.10886	1.2
171.11656	47.0
173.09515	1.5
173.13231	17.2
175.11115	0.8
175.14790	5.0
177.12749	1.3
177.16295	0.8
178.04950	17.2
183.11676	7.1
185.13229	6.6
187.11035	0.9
187.14784	4.7
189.12703	60.9
191.14349	5.3
196.05984	5.0
197.13179	3.0
199.14783	4.4
201.12708	11.1
201.16313	2.7
203.14253	5.0
211.14754	1.0
215.14302	1.3
217.15880	2.7
219.13766	38.2
219.54277	0.8
221.15474	1.0
229.15828	0.9
235.16681	0.7
237.14757	0.8
239.17891	0.9
245.15245	1.0
247.16919	0.9
281.18851	0.9
407.29196	1.0
425.30508	0.9
437.30338	4.2
443.31021	1.1
455.31378	7.4
473.32526	100.0
474.32639	1.0
491.33594	5.7
519.32941	4.3
537.34094	1.3
543.59009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.2
56.75447	0.4
57.03418	0.7
57.52339	0.4
67.05483	3.3
68.88340	0.5
69.03419	2.7
69.07051	4.0
71.04980	0.7
79.05481	5.7
81.03408	0.5
81.07038	10.3
83.04960	0.7
85.02905	0.8
91.05453	4.5
92.09075	1.1
93.07023	10.6
95.04953	2.4
95.08589	7.0
97.06497	1.3
105.03374	0.8
105.06362	1.0
105.07021	20.0
107.04894	0.6
107.08582	12.0
109.06502	7.7
109.10123	4.5
111.08063	1.0
114.03828	0.5
117.06997	4.4
119.08566	21.4
121.06484	4.4
121.10111	8.9
123.04382	0.6
123.08057	2.2
125.09574	0.7
129.06966	3.6
130.07809	0.6
131.08548	15.8
133.06474	0.8
133.10115	11.6
135.08043	3.3
135.11661	2.3
137.05978	1.0
137.09586	4.2
141.07025	0.6
142.07751	0.9
143.08562	8.0
144.04555	0.5
144.09354	0.6
145.10106	16.4
147.08020	3.1
147.11682	7.2
148.03911	5.7
148.53421	0.5
149.09604	3.8
149.13239	1.2
155.08533	3.3
156.09355	1.1
157.10147	6.5
158.10896	0.9
159.08063	0.9
159.11679	9.7
161.09586	3.8
161.13268	9.3
163.11185	2.0
163.14796	2.7
166.05043	1.0
167.10632	0.9
169.10123	3.3
170.10840	1.2
171.11653	37.3
172.03909	3.5
173.09645	1.1
173.13225	16.9
175.11229	0.9
175.14777	7.5
177.12730	2.5
183.11656	6.8
185.13197	6.7
187.11246	0.7
187.14764	8.2
189.12712	49.5
190.04938	0.7
191.14281	20.0
195.11699	1.1
197.13226	3.4
199.14838	1.2
201.12732	11.4
203.14285	10.0
204.06538	5.3
207.13829	0.6
209.13365	0.8
211.14806	1.3
213.12665	0.7
215.14328	2.8
217.15886	0.9
219.11647	0.9
219.13773	26.0
221.15268	6.3
227.14142	0.7
229.15842	2.5
231.19643	0.5
239.16325	5.5
255.11192	0.7
265.19446	0.7
271.20627	0.8
273.12360	0.9
283.10715	0.7
301.11823	2.6
301.21420	0.9
303.05109	1.1
343.12805	0.8
357.14120	0.9
419.29572	1.3
437.30447	1.2
443.31201	0.6
455.31412	6.2
473.32550	100.0
474.32840	1.3
491.33517	8.2
537.33112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3267
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
51.08285	0.8
53.03936	2.4
53.62070	0.8
55.01854	1.1
55.05507	41.6
56.20866	0.8
56.96554	1.4
57.03407	2.2
57.07059	4.5
58.18627	0.9
62.89602	1.0
65.03918	1.9
67.05491	14.9
69.03410	11.7
69.07059	29.7
71.04973	1.9
73.02898	1.3
79.05472	9.0
81.03391	4.2
81.07043	51.5
83.04957	4.2
83.08589	8.2
85.02899	8.0
85.06516	6.6
91.05450	5.2
93.07028	23.1
94.07359	1.2
95.04962	7.6
95.08586	38.6
97.02856	2.1
97.06498	4.8
97.10151	100.0
99.04471	1.2
99.08094	1.1
105.03374	8.6
105.07004	15.5
107.04971	1.2
107.08585	21.1
107.26265	1.0
109.02853	2.3
109.06493	6.7
109.10141	23.0
111.08067	4.0
111.11710	1.9
113.05984	1.2
114.36980	1.3
115.33521	1.0
117.07008	1.5
119.08581	16.0
121.06487	1.2
121.10144	19.4
122.10440	1.4
123.04388	1.1
123.08034	5.7
123.11687	25.6
124.12133	1.1
125.09611	21.3
127.03908	1.6
127.07577	1.1
131.08537	4.2
133.10118	9.1
135.08028	2.6
135.11682	9.2
137.05986	6.0
137.09616	4.6
137.13263	1.7
139.10205	1.0
139.11111	8.1
141.09029	1.4
143.10655	26.8
145.10094	5.8
147.11664	9.5
149.09567	1.7
149.13223	6.7
151.11148	4.1
151.14749	1.5
153.12762	1.5
157.10149	2.3
157.12163	2.0
159.11690	5.0
161.09521	1.1
161.13274	7.6
163.03928	1.5
163.11116	1.7
163.14732	1.0
165.09061	1.4
165.12755	4.3
173.13184	1.8
177.05400	1.5
179.14276	2.1
187.14774	2.0
189.11220	7.6
195.13762	1.5
201.16380	1.1
247.16928	1.3
251.16286	1.2
275.23502	1.1
285.22308	1.6
291.23114	2.1
303.23181	12.7
309.24084	8.4
321.20428	1.6
321.24188	35.8
339.25217	21.7
537.19226	15.7
537.26727	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	536.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43711	0.4
50.93980	0.5
53.03931	0.4
54.81480	0.4
54.83122	0.4
54.83654	0.4
55.05487	2.6
57.07055	0.4
57.39598	0.5
57.69722	0.4
58.06586	0.5
60.07874	0.8
60.08154	14.7
67.05501	3.8
69.03408	0.8
69.07040	1.1
71.07350	5.4
72.08149	3.5
79.05476	3.9
81.03364	0.6
81.07039	5.6
83.04965	0.7
85.02875	1.1
86.09689	58.1
89.61314	0.4
91.05417	1.1
92.08920	0.5
93.06995	4.3
95.04937	3.0
95.08589	4.8
96.08841	0.4
97.06487	0.5
98.98441	4.3
104.10722	39.5
105.03358	2.9
105.06997	3.4
107.04898	0.4
107.08556	3.6
109.06491	0.9
109.10116	1.0
112.07613	0.7
119.08521	3.9
121.10117	2.7
123.08049	0.5
124.99981	35.4
131.08516	1.0
133.10100	2.9
135.08055	1.1
135.11702	0.9
136.07533	0.5
143.08521	1.0
145.10057	1.1
147.11626	0.7
149.09587	0.6
149.13187	0.5
157.10081	2.1
159.11687	0.9
161.09621	2.0
161.13304	0.9
163.14726	0.6
165.05478	0.5
171.11607	0.9
173.13234	1.0
173.23004	0.5
175.14731	1.1
184.07304	100.0
185.07790	0.6
185.13136	0.5
187.14703	0.7
198.47482	0.5
257.12915	0.6
284.80530	0.5
299.06137	0.9
317.15698	0.5
392.21832	0.6
406.18130	0.6
435.28168	0.6
437.30579	0.8
483.30862	0.6
500.31079	2.8
501.31860	1.2
504.27283	0.6
518.32343	22.1
519.32581	0.7
536.28894	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43385	0.1
53.63187	0.1
55.05488	0.3
56.05022	0.3
57.03429	0.2
60.08149	9.2
64.15733	0.1
67.05484	1.6
69.07042	0.8
71.07353	3.7
79.05465	0.8
81.03363	0.1
81.07035	1.3
86.09686	44.3
90.84615	0.2
91.05433	0.6
92.08894	1.1
93.07010	1.0
95.04948	0.4
95.08570	1.1
97.06454	0.2
98.98436	3.8
104.10718	3.7
105.03388	1.2
105.06982	0.9
107.08557	0.8
119.08539	0.7
124.99975	33.3
131.08540	0.3
132.90317	0.2
133.10020	0.4
134.69432	0.2
141.91370	0.1
143.01015	0.7
143.08533	0.2
145.10081	0.6
147.11638	0.2
159.11603	0.3
161.09569	0.2
161.13240	0.2
172.96458	0.2
184.07300	100.0
185.13301	0.2
200.15271	0.1
500.30875	0.9
518.25165	0.2
518.32294	5.9
536.28912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92276	0.9
52.10986	0.9
53.00309	1.1
53.03926	6.9
55.01863	4.5
55.05502	11.7
56.54624	0.9
57.03426	12.7
57.07061	1.8
59.04984	2.2
61.02929	1.6
62.36967	0.9
67.05483	13.6
69.03416	45.6
69.07060	14.2
71.04976	11.0
73.02905	2.6
79.05475	16.3
81.03401	14.6
81.07032	36.7
83.04967	13.9
83.08591	7.0
84.08118	2.3
85.02885	37.1
85.06525	10.6
86.09682	1.2
86.40123	1.0
87.04445	19.3
91.05448	16.5
92.08701	2.0
92.09252	2.5
93.07022	33.2
95.01296	10.0
95.04952	21.8
95.08576	26.6
96.08898	1.4
97.02868	24.3
97.06514	8.7
97.10128	2.1
99.04432	15.9
99.08064	5.6
101.05983	2.2
103.05463	1.2
105.02679	2.2
105.03371	35.7
105.07002	23.3
106.03693	6.6
106.07308	1.3
107.04932	1.3
107.07863	2.4
107.08572	62.7
107.09293	2.4
108.08923	1.3
109.02856	9.3
109.06487	10.2
109.10130	19.1
110.06837	1.3
111.04404	1.8
111.08050	6.5
113.02376	12.3
113.05978	1.2
115.03898	12.1
117.03320	4.9
117.06978	4.8
119.04910	4.2
119.08535	20.6
119.81854	1.0
121.06458	2.7
121.10111	31.9
123.04488	3.0
123.08040	100.0
123.11671	15.0
125.05951	5.8
125.09604	29.1
127.03899	9.8
127.07565	1.5
129.06941	2.6
131.04898	2.0
131.08517	12.5
133.04984	9.6
133.06442	1.3
133.10120	16.2
134.10448	1.5
135.07993	1.9
135.11650	9.8
137.05925	1.9
137.09578	7.4
137.13234	1.3
139.11151	9.5
142.07693	1.4
143.08551	2.4
143.10675	4.4
145.02835	21.8
145.04926	5.0
145.10078	14.1
146.03160	2.2
147.04401	13.5
147.08041	1.6
147.11676	11.2
149.06000	2.6
149.09598	37.6
149.13135	2.0
151.03885	1.1
151.07536	4.3
151.11113	2.6
155.08545	1.9
156.09213	1.4
157.10146	5.9
159.11644	10.5
161.09605	2.7
161.13197	6.8
163.03880	2.4
163.07481	1.9
163.11093	4.4
165.09058	2.6
165.12749	2.6
167.10620	12.1
169.10075	1.7
171.11583	2.5
173.13206	6.1
175.14854	2.5
177.05437	26.0
177.12733	2.0
178.05750	2.5
181.12265	1.2
183.13747	5.3
185.13210	2.4
187.14767	2.5
189.12708	14.6
189.16402	1.4
191.10622	2.0
191.14297	1.3
199.14772	1.6
201.16380	1.4
203.14282	1.7
205.12294	1.2
207.13748	6.2
225.14787	60.4
239.05397	4.7
239.16342	2.2
249.14786	10.1
257.06381	2.0
267.08676	2.1
267.15692	1.4
285.22226	1.6
299.06271	1.4
303.23062	10.0
314.60721	1.1
319.22614	1.6
321.24115	8.7
339.25089	2.7
351.17926	2.3
369.19342	1.4
436.66516	1.2
444.31927	2.0
496.23761	1.3
535.22156	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20423	0.1
51.02361	0.1
53.03937	3.1
55.01855	0.7
55.05502	1.6
57.03431	1.7
57.07057	0.2
57.16998	0.1
59.04991	0.2
61.02910	1.2
67.05482	0.9
69.03413	9.4
69.07042	0.7
71.01316	0.2
71.04970	1.8
73.02895	0.7
73.06155	0.2
73.06535	4.3
77.03894	0.3
79.05470	5.9
81.03398	14.2
81.07031	1.8
82.07361	0.2
83.04962	0.4
83.08604	0.8
85.02888	19.5
85.06529	0.3
86.03190	0.2
87.04422	0.2
91.03951	0.2
91.05444	0.7
93.07030	1.5
95.04948	4.3
95.08572	3.3
97.02868	10.1
97.06495	0.6
99.04433	2.8
99.08040	0.2
100.21017	0.1
101.02318	0.2
103.03951	0.2
105.03371	100.0
105.06997	1.9
106.03723	1.5
107.08581	1.9
109.02859	9.9
109.06476	0.8
109.10141	4.4
110.10464	1.0
111.08042	1.3
112.08394	0.2
113.05948	0.2
115.03958	0.2
119.08538	2.7
120.08028	0.2
120.08885	0.3
121.06452	0.1
121.10111	1.6
122.10442	0.2
123.04405	11.9
123.08057	2.3
123.11676	0.9
124.12077	0.2
125.05962	0.9
125.09570	0.3
127.03890	8.3
133.10106	3.2
134.10335	0.3
135.08041	0.6
135.11694	2.3
136.12045	0.6
137.05983	0.2
137.09599	4.7
137.13203	0.2
138.10014	0.8
143.08510	0.3
145.04941	3.4
145.10135	0.1
147.04436	0.2
147.11690	0.3
149.13249	1.1
150.13629	0.2
151.11197	0.2
151.14841	0.6
153.09108	0.3
157.09927	0.1
159.11702	0.2
161.09569	1.1
163.05986	1.2
163.11157	0.2
165.05518	0.2
165.12720	0.8
173.13109	0.2
175.14795	2.7
176.15126	0.9
178.03227	0.1
193.15854	2.0
194.16205	0.8
207.13779	0.3
211.14880	0.3
211.16898	8.9
212.17244	4.2
231.06512	1.7
239.02090	0.2
249.07518	16.9
250.07811	0.3
251.08183	0.2
253.12790	1.9
267.08572	22.4
268.09012	0.3
269.08969	0.2
339.14410	0.2
383.03638	0.2
396.04483	0.2
525.15515	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.3
53.03937	2.1
55.01868	3.4
55.05511	0.4
57.03429	6.6
59.04995	0.5
60.04512	0.5
61.02633	0.6
61.02918	11.1
67.05496	0.9
69.03416	22.8
69.07058	0.5
71.01340	0.6
71.04980	5.7
73.02899	3.7
79.05469	4.4
81.03405	10.9
81.07034	2.2
83.01295	0.6
83.04967	0.6
84.04494	0.4
85.02892	100.0
85.06511	0.4
86.09700	0.5
87.04445	2.0
91.03931	4.1
91.05473	3.0
92.09001	2.0
93.07028	2.6
95.04948	2.3
95.08580	2.1
97.02872	30.0
98.06033	0.7
99.04445	5.1
101.02424	0.5
103.03928	0.7
103.05450	3.2
105.03369	3.4
105.07020	9.2
107.04942	72.2
107.08559	3.1
109.02866	9.9
109.06517	0.5
109.10144	1.8
111.04428	0.5
111.08094	0.8
114.05565	0.4
115.03929	0.7
115.05435	4.2
117.07022	2.6
119.08559	1.5
120.05704	0.8
121.02839	0.6
121.10131	1.5
125.05999	0.6
126.05492	0.5
127.03902	19.9
131.08588	0.4
133.06464	0.5
133.10146	1.2
135.08032	23.6
135.11691	0.4
137.09593	1.4
144.06566	1.6
145.04947	21.1
145.07555	1.8
145.10126	0.5
147.04367	0.5
147.11659	0.5
151.07567	0.4
151.11197	0.5
159.11668	0.5
161.09650	0.6
162.07576	0.9
163.06050	7.6
163.07497	68.6
167.07025	4.8
175.14713	0.4
180.07733	5.1
191.23952	0.5
195.10138	87.8
195.27084	0.4
207.10077	0.4
216.03232	0.4
288.05893	0.4
298.00983	0.3
324.12811	0.6
456.66306	0.4
503.21933	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	536.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
56.37976	0.4
57.03415	1.1
60.66844	0.4
61.02906	0.5
61.90867	0.5
63.89083	0.4
69.03403	3.0
70.06565	0.6
71.04963	0.5
73.02888	0.6
73.38461	0.4
81.03397	0.7
83.02833	0.4
85.02884	12.2
89.03907	3.6
91.05441	0.5
92.09125	0.7
95.04996	0.6
97.02876	4.2
99.04420	0.9
111.04441	0.6
113.39198	0.5
117.03358	14.8
127.03871	2.7
134.03566	1.0
135.04390	3.3
137.05919	0.9
145.02827	56.3
145.04964	2.7
147.04359	1.0
149.05969	9.6
151.63022	0.6
160.39398	0.5
163.03876	7.3
175.67072	0.6
177.05431	100.0
195.06494	34.9
195.08302	0.8
205.08472	0.6
219.06383	0.5
267.19189	0.5
388.94626	0.5
442.85181	0.5
536.18201	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	536.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	0.4
53.03937	3.1
55.01860	3.7
55.05486	0.3
57.03426	6.8
59.04978	0.5
60.04517	0.8
61.02597	0.4
61.02910	11.9
65.03908	0.4
67.05478	0.5
69.03410	22.0
70.33897	0.4
71.01340	0.4
71.04969	2.8
73.02885	4.4
76.56111	0.4
79.05474	2.6
80.05006	0.4
81.03394	9.6
81.03861	0.4
81.07030	0.7
83.01328	1.4
83.04974	0.4
84.04482	0.4
84.54885	0.3
85.02885	100.0
86.03201	0.4
87.04448	2.9
87.55288	0.3
91.03925	4.2
91.05463	2.0
92.09195	0.8
93.03371	0.5
93.06984	0.5
95.04935	1.4
95.08593	0.3
97.02864	30.7
98.06030	0.6
99.04436	4.2
101.02332	0.6
103.03908	0.4
103.05444	12.4
105.03363	4.5
105.06999	4.8
106.23776	0.4
107.04926	15.8
107.08562	0.7
109.02847	10.1
111.04456	0.8
115.03900	1.7
115.05436	0.6
117.07010	1.5
119.08554	0.3
120.05692	1.9
120.08067	0.6
121.06440	0.6
121.10100	0.6
124.05158	0.5
126.05500	0.5
127.03886	18.1
131.04880	3.7
133.06464	0.4
133.10152	0.4
135.08022	13.5
135.08856	0.5
137.05954	0.4
139.03873	6.7
144.06551	2.5
145.04927	21.6
145.07584	0.7
154.06213	65.1
161.09546	0.4
162.07552	0.8
163.06004	8.4
163.07465	42.2
167.06973	2.4
171.20638	0.4
180.07668	3.7
188.36021	0.4
195.10123	81.8
209.84573	0.4
241.41438	0.3
267.08374	0.5
324.12726	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
54.15636	0.2
55.01865	0.4
57.03427	1.2
61.02919	1.8
66.99920	0.2
69.03414	3.8
71.05000	0.3
73.02887	0.5
78.04673	0.2
79.05490	0.2
81.03386	1.7
84.08150	0.3
85.02888	14.0
86.40578	0.2
89.03891	3.9
91.03924	0.4
97.02864	3.7
99.04402	0.4
107.04942	0.4
109.02862	1.1
111.04444	0.4
117.03356	17.6
119.04921	0.4
121.02908	0.2
121.06493	0.3
127.03896	1.9
134.03581	1.3
135.04387	4.8
139.03854	0.2
145.02826	60.8
145.04893	3.0
146.03082	0.2
147.04431	0.4
149.05949	8.7
153.05446	0.8
162.03072	1.1
163.03865	14.0
163.05983	0.9
164.04280	0.3
177.05428	100.0
178.05756	0.4
195.06490	29.6
203.15083	0.2
250.69168	0.2
287.34692	0.2
339.10645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84437	0.2
53.03936	0.3
55.01871	0.5
57.03431	0.4
59.04994	0.2
61.02912	0.8
63.02369	0.2
69.03424	2.2
70.06567	0.3
71.75884	0.2
72.08180	0.2
74.07585	0.2
81.03404	1.8
84.04528	0.2
85.02893	5.6
86.09692	0.3
87.04444	0.2
89.03891	3.8
91.03911	0.3
91.05462	0.2
92.08770	0.3
92.09274	0.3
92.68280	0.2
95.04984	0.3
97.02864	2.1
99.04443	0.3
105.03377	0.3
107.04951	0.2
109.02845	1.6
111.04448	0.3
117.03364	17.6
119.04939	0.8
127.03909	1.3
131.05066	0.2
133.02763	0.2
134.03621	1.2
135.04404	2.9
137.05943	1.0
139.03912	0.3
145.02837	63.6
146.03157	0.3
147.04411	1.6
149.05974	6.4
163.03871	4.6
164.04202	1.3
165.04486	0.3
166.08623	0.3
167.07040	0.2
177.05441	100.0
178.05820	0.3
186.05598	0.2
195.06458	1.7
200.52415	0.2
213.94208	0.2
280.64273	0.2
321.09714	0.9
339.10703	2.0
365.38983	0.2
480.27548	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45339	0.3
51.70119	0.3
54.81780	0.3
55.01859	0.4
55.05500	0.8
55.82847	0.3
57.03427	2.4
57.17002	0.3
60.08152	2.3
67.05488	2.2
67.81538	0.3
69.03409	3.5
69.07043	1.6
71.07346	0.6
79.05460	3.4
81.03398	2.1
81.07039	6.2
83.04961	1.6
83.08592	0.7
85.02902	4.7
86.09686	13.0
87.04473	1.4
87.10028	1.5
91.05449	3.4
92.09018	2.9
93.06998	3.9
93.58331	0.4
94.07394	0.4
94.35004	0.4
95.04951	1.7
95.08570	2.9
97.02859	2.6
97.06539	0.6
97.10142	0.5
98.98464	0.5
99.04545	0.3
104.10746	2.5
105.03390	0.6
105.07021	2.9
106.03738	0.3
107.04944	0.5
107.08562	2.8
109.10166	1.8
111.08048	0.5
113.05972	0.3
115.03888	1.4
117.06996	0.4
119.08565	2.3
121.10111	7.1
122.10449	1.5
124.99978	9.4
129.06981	0.7
131.08514	0.8
131.91849	0.4
133.04973	2.1
133.10159	1.3
135.11699	1.4
137.06004	0.4
145.10172	0.5
147.04436	0.6
147.11688	1.9
149.13271	1.7
157.10133	0.7
164.63817	0.4
184.07301	24.8
185.07634	3.2
193.12201	1.3
205.19508	3.0
206.19876	0.5
219.17433	0.4
251.12489	7.4
295.10193	0.5
307.15097	6.3
363.20096	0.4
517.30768	1.4
535.28668	100.0
536.29230	1.5
546.22681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56234	0.5
52.14750	0.6
55.05499	2.7
57.03428	1.5
60.08152	6.0
67.05482	5.3
69.03412	1.2
69.07063	1.3
69.69895	0.6
71.04981	1.3
71.07353	2.6
79.05470	4.5
81.03401	5.6
81.07035	6.2
83.04951	0.9
83.08600	0.7
85.02874	5.4
86.09689	28.3
87.10029	4.0
91.05454	4.9
93.07037	3.9
95.04969	3.0
95.08604	5.0
97.02871	0.8
97.06502	0.6
98.98435	1.5
104.10725	17.8
105.03375	5.8
105.07027	5.2
105.11090	1.3
107.08594	3.6
109.02857	3.0
109.06483	0.9
109.10143	0.7
111.08047	1.0
119.08601	5.0
121.10107	3.6
123.08031	0.8
124.99979	23.9
126.00343	0.8
127.03907	0.7
129.07040	0.7
131.08545	3.0
133.10101	3.2
135.07919	0.7
136.51457	0.6
138.54576	0.6
145.10112	1.1
147.11662	1.3
149.09552	0.9
151.11159	0.7
157.10136	1.5
159.11748	0.9
161.13272	0.7
184.07307	52.1
185.07668	8.1
193.12228	1.3
204.26860	0.7
211.13414	1.0
251.12476	18.9
307.15106	8.2
462.97525	0.7
517.30804	1.0
534.31116	1.5
535.28619	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	535.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05502	9.2
56.18238	0.7
57.03429	1.2
57.07058	3.5
57.94276	0.6
61.02907	0.7
67.05491	14.7
69.03410	9.4
69.06715	0.8
69.07054	11.8
70.12193	0.7
71.04966	4.4
71.08593	1.1
79.05470	1.3
81.03410	1.0
81.06596	1.0
81.07037	19.0
82.22071	0.6
83.04972	11.5
83.08594	8.8
85.02887	8.6
85.06524	4.2
85.10205	0.8
91.05444	2.6
92.09116	3.4
93.07018	10.2
95.04937	1.7
95.08581	31.2
97.02843	1.7
97.06497	1.4
97.10136	0.9
99.08060	3.4
105.03355	1.0
105.07004	6.6
107.08572	23.8
109.02912	1.0
109.05759	0.9
109.06498	11.0
109.10139	100.0
111.08060	3.2
119.08557	25.2
121.10116	12.1
123.08038	13.7
123.11672	9.7
125.09605	1.1
127.03875	1.0
127.11231	0.7
131.08511	1.0
133.10103	21.5
134.10413	1.1
135.08029	0.8
135.11667	75.3
137.09590	20.1
138.09906	0.7
139.11145	2.7
139.71700	0.7
145.10085	1.0
149.13228	6.5
151.11137	9.7
151.14781	12.7
153.12700	3.3
165.16399	2.8
175.14786	27.4
191.14397	0.9
193.14073	1.2
193.15836	32.1
211.16899	77.1
328.13217	0.7
355.85764	0.8
493.97153	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2748
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
51.67280	0.3
53.03942	0.6
55.01874	0.9
55.05500	6.2
57.03432	0.5
57.07068	2.7
57.94854	0.3
59.04985	2.0
60.69259	0.4
61.02913	0.6
67.05492	14.6
68.11384	0.4
69.03417	9.4
69.07059	14.0
71.04972	2.7
71.08614	0.8
73.02915	0.5
79.05467	2.1
81.03416	0.6
81.07035	18.1
83.04963	9.6
83.08613	7.5
84.56962	0.4
85.02891	9.4
85.06516	4.1
87.08112	0.7
91.05476	2.8
92.08996	0.8
93.07026	10.0
95.04968	1.0
95.08586	31.6
95.09203	1.0
97.02863	2.0
97.06525	0.7
97.10152	2.7
99.08059	3.4
105.03452	0.8
105.07023	6.6
107.08577	24.0
109.02855	0.7
109.06504	10.2
109.10143	100.0
111.08058	4.2
111.11734	0.5
113.09605	2.0
113.54990	0.4
117.07026	0.5
119.08561	33.2
121.10126	14.4
123.08047	12.9
123.11685	10.6
125.09609	1.9
127.03860	0.7
131.08513	0.8
133.10106	24.3
134.10478	0.6
135.11671	92.8
136.33612	0.5
137.09602	17.5
139.11157	2.3
145.10159	0.5
147.11665	2.5
149.13251	6.0
151.11163	12.0
151.14799	12.4
153.12711	3.7
165.16351	3.1
175.14790	36.1
184.75743	0.4
191.14284	0.5
192.14536	0.5
193.15852	44.8
209.15306	0.6
211.16904	61.6
232.40503	0.5
240.69003	0.4
306.43155	0.5
373.22217	0.9
442.77264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63041	0.5
53.00294	0.6
53.03934	0.7
55.01865	0.7
55.05505	21.0
57.03172	0.6
57.03431	9.0
57.07069	11.2
60.08159	3.1
61.02916	7.5
65.03928	1.4
67.05494	86.3
69.03410	0.6
69.07057	26.2
71.04988	2.1
71.08611	4.3
73.02908	2.5
74.04863	0.6
75.04456	0.6
79.05476	20.4
81.03411	0.8
81.07040	100.0
83.04963	2.9
83.08604	19.7
85.02899	7.8
85.06533	2.7
85.10184	2.6
86.09686	7.4
91.03953	1.3
91.05469	15.9
92.08833	3.2
92.09361	1.0
93.07025	28.8
95.04981	1.1
95.08588	77.2
97.02861	3.3
97.06512	7.6
97.10154	12.8
99.08078	3.8
104.10722	11.8
105.07008	13.1
107.08587	16.4
108.64245	0.6
109.06517	1.3
109.10143	35.9
111.08066	3.5
111.11719	3.1
113.09645	1.4
117.07081	0.7
119.08560	14.7
121.10124	19.7
123.08051	1.1
123.11684	15.4
124.99996	3.9
125.09604	2.7
131.08508	1.0
133.10109	17.4
135.08080	0.6
135.11678	9.8
137.09601	0.8
137.13214	6.1
141.12737	0.8
145.05019	0.6
145.10098	0.7
147.11668	10.4
149.13257	6.9
151.11147	0.7
151.14835	4.7
155.14354	2.2
159.11592	0.7
161.13231	12.4
163.14783	8.2
165.12793	0.7
165.16394	5.6
167.14325	0.8
175.14755	8.4
177.16360	1.1
179.14386	1.2
179.17924	3.6
184.07283	11.2
189.16393	3.7
191.18025	1.0
193.15804	1.1
222.60204	0.6
231.17448	0.7
234.35896	0.6
245.22589	32.2
259.16693	0.7
263.23642	47.0
337.27295	33.5
355.28571	5.0
481.02274	0.8
499.32291	2.7
534.35400	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	534.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.2
55.01875	0.9
55.05507	23.6
57.03426	7.6
57.06862	0.7
57.07070	11.3
61.02913	9.9
65.03929	1.2
67.05492	88.0
69.03413	1.7
69.07055	25.8
71.04981	1.9
71.08615	7.7
73.02924	1.8
75.04471	1.1
79.05476	24.9
79.38407	0.7
81.07040	100.0
83.04974	0.9
83.08601	18.9
83.51430	0.8
85.02888	7.4
85.06545	1.7
85.10155	1.7
86.09699	1.4
86.17258	0.8
91.03906	1.3
91.05465	20.4
93.07024	33.4
95.04974	1.7
95.08584	88.3
97.02863	4.3
97.06488	7.8
97.10150	9.1
99.08078	5.1
104.10735	1.9
105.07023	18.3
107.08575	17.7
109.06493	1.7
109.09380	1.7
109.10143	41.6
111.08074	3.8
111.11700	1.9
113.09589	1.2
117.07047	0.9
119.08556	18.2
121.10115	21.1
123.08054	1.2
123.11685	19.0
125.09615	1.3
131.08537	1.8
133.10091	17.3
135.11661	10.8
137.09579	1.6
137.13203	6.4
137.47818	0.9
139.11143	1.2
141.12738	1.8
145.10081	1.3
147.11700	9.1
149.13225	9.1
151.14821	4.5
153.12685	1.0
155.14325	1.3
157.10126	1.4
159.11723	1.7
161.13228	14.7
163.14760	9.5
165.16362	2.1
175.14798	8.4
177.16359	1.6
179.17950	3.9
184.07372	1.7
185.13255	0.9
189.16345	3.8
217.19638	1.1
245.22585	33.4
263.23651	56.7
337.27307	24.3
337.31076	1.5
355.28372	3.9
493.32544	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	534.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05495	5.4
57.03401	1.6
63.48456	1.5
67.05499	11.6
69.03392	2.1
69.07042	7.9
77.49546	1.2
79.05475	14.8
81.07033	30.2
83.08587	5.3
83.37985	1.3
85.06506	1.2
90.21096	1.3
91.05466	13.4
92.09042	7.8
93.07017	31.4
95.04947	3.2
95.08577	38.4
97.06499	1.3
97.10151	1.7
105.07014	35.3
107.08579	46.9
109.06491	3.3
109.10134	18.6
117.06985	7.8
119.08554	60.2
121.06488	3.1
121.10131	27.2
123.08059	2.1
123.11679	6.3
124.49603	1.2
129.06992	3.2
131.08546	29.3
133.10098	36.3
135.08047	6.1
135.11661	16.3
141.68138	1.3
142.07721	2.7
143.08534	20.8
144.09219	1.9
145.10104	44.7
147.08060	2.8
147.11642	19.2
147.39360	1.3
149.13226	10.8
155.08496	6.3
156.09290	10.4
157.10088	19.2
158.10884	1.5
159.08020	2.4
159.11655	26.5
161.09621	3.2
161.13237	13.1
163.07538	2.7
163.14781	10.3
167.33444	1.2
168.09332	1.6
169.10120	12.3
170.10750	1.5
171.11655	39.4
173.09665	2.2
173.13228	23.5
175.11163	2.5
175.14728	11.7
177.09058	2.9
177.12756	2.4
177.16418	15.4
181.10133	1.8
183.11673	16.4
185.13177	9.4
187.11191	7.3
187.14760	54.8
189.12735	12.7
189.16350	25.5
191.17926	9.4
195.11649	5.0
197.13202	8.0
199.11177	2.8
199.14690	2.1
201.12708	10.5
201.16353	25.3
203.17915	13.7
205.12218	1.8
209.13268	3.2
211.14743	3.2
213.16393	7.1
215.10591	1.7
215.14244	2.6
215.17911	8.4
217.12119	2.0
219.13728	2.9
223.14771	2.3
225.16437	2.3
227.17764	2.4
229.15898	1.5
229.19315	1.9
233.11499	1.4
233.15286	2.5
235.16931	2.1
241.19531	1.5
243.35440	1.5
247.16916	8.4
323.27280	3.1
335.14795	1.3
359.27414	5.5
371.27359	1.7
375.21524	1.7
377.28488	6.0
389.28494	2.9
405.27719	10.1
407.29248	6.2
417.27716	2.0
423.28857	8.4
425.30560	6.8
435.28662	10.0
453.29910	46.2
471.30951	100.0
499.30225	10.7
517.31488	45.6
534.34235	26.1
535.32556	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	534.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.2
55.05492	10.2
57.03418	1.6
57.96323	1.1
67.05487	13.4
69.03412	2.1
69.07045	9.7
71.08599	1.6
79.05473	15.8
81.03385	2.4
81.06599	1.6
81.07037	29.4
83.04966	2.1
83.08580	2.5
83.33941	1.4
85.02882	6.4
86.09692	1.8
91.05448	14.9
92.08993	11.1
93.07015	58.5
94.07324	1.3
95.04928	7.6
95.08583	34.5
97.06461	2.0
103.05475	1.6
104.33389	1.4
105.03351	2.9
105.07003	33.6
107.04903	1.5
107.07864	2.6
107.08575	65.0
107.09296	2.5
109.06473	6.2
109.10136	20.4
112.31119	1.3
113.02318	6.4
117.06970	6.7
119.07709	2.0
119.08559	46.0
121.06471	2.9
121.10122	35.3
123.08020	2.7
123.11685	7.6
128.06258	1.9
129.06970	1.6
131.08540	28.7
133.10103	36.4
135.08052	2.9
135.11674	48.7
137.05946	3.1
142.07732	1.8
143.08539	6.9
145.10089	46.1
147.11681	15.4
148.89473	1.4
149.02307	1.6
149.09703	1.9
149.13228	24.6
155.08545	1.7
157.10101	10.9
159.07968	1.6
159.11653	32.1
161.09496	2.4
161.13251	10.8
163.14789	14.5
169.10091	5.6
171.11589	12.7
173.13219	23.9
175.11099	2.6
175.14803	10.3
177.09109	2.1
177.16359	7.5
181.09984	1.3
183.11662	6.0
184.07278	5.5
185.13165	7.8
187.11171	1.9
187.14786	63.1
189.12715	5.1
189.16324	27.2
191.17863	3.1
197.13205	3.2
199.14769	6.5
201.12720	5.9
201.16350	59.8
203.10687	2.5
203.17914	5.9
205.12202	1.5
209.13107	1.4
211.14861	2.2
213.16339	7.1
215.17938	9.1
217.12227	1.7
219.13724	2.6
227.17990	5.8
229.19458	11.9
235.16852	2.1
239.17950	2.1
241.19363	1.9
247.16841	5.0
253.19505	2.8
320.83337	1.4
323.27106	5.0
357.20563	3.0
369.27811	1.9
383.29044	1.6
405.27356	1.8
425.30496	1.6
435.28757	6.6
453.29935	51.5
455.31418	2.1
471.30978	37.9
481.29272	6.1
499.30637	17.3
517.31500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.9
53.03928	1.5
55.01852	1.9
55.05501	9.8
57.03432	4.0
57.07068	1.8
59.04985	1.8
61.02916	1.3
65.03921	0.8
66.75974	0.7
67.05490	21.4
69.03421	13.8
69.07053	20.2
69.24284	0.7
71.04976	28.5
72.08109	0.8
73.17072	0.8
74.01885	0.6
75.90620	0.7
79.05466	13.7
81.03394	3.6
81.07037	36.9
83.04968	6.7
83.08601	4.9
85.02898	12.0
85.06521	5.1
87.04442	1.2
90.01392	0.8
91.05459	13.3
92.08851	5.1
93.07029	34.7
95.04940	11.7
95.08578	32.5
96.08913	0.9
97.02873	4.1
97.06491	7.8
97.10158	4.8
99.04448	3.2
99.08076	5.9
105.03362	9.3
105.07010	38.1
106.06575	1.5
106.07326	1.0
107.08574	36.9
109.02858	1.1
109.06495	9.0
109.10139	72.3
110.10485	1.0
111.04420	1.6
111.08077	1.8
111.11694	1.1
113.05975	1.0
113.09639	0.8
113.66624	0.7
114.37419	0.8
115.05479	0.9
117.06998	4.8
119.04961	1.0
119.08559	37.6
119.09389	1.7
121.06486	9.6
121.10115	64.4
123.08018	6.7
123.11688	12.7
125.05902	1.0
125.09603	16.1
127.03919	1.5
127.07541	4.9
127.11150	7.1
129.06935	1.6
131.08553	14.8
133.06471	0.9
133.10106	40.0
134.06023	3.6
134.10439	0.9
135.08052	4.0
135.11647	22.4
137.05981	1.1
137.09590	30.9
137.13228	3.5
139.11159	18.7
142.07797	1.8
143.08563	9.5
143.10641	1.4
144.09326	0.9
145.02776	1.2
145.04993	0.9
145.10107	28.0
146.07263	1.2
147.04425	1.6
147.08029	9.6
147.10562	1.4
147.11656	18.7
149.09612	8.9
149.13245	3.6
151.11212	6.0
153.09171	0.8
153.12708	6.1
155.08545	5.6
155.10620	3.1
156.09300	5.0
157.10091	18.7
158.10808	1.4
159.08040	4.0
159.11684	15.0
160.08813	1.6
161.09593	27.0
161.13213	4.9
163.11166	11.1
163.14828	1.3
165.09087	15.1
166.04945	1.0
167.10681	1.8
169.10068	7.1
170.10931	1.4
171.08070	1.0
171.11653	14.0
173.09586	14.4
173.13222	22.3
175.11154	27.1
175.14751	7.7
177.05432	0.9
177.09135	2.0
177.12689	3.1
179.10609	4.4
181.10039	1.4
181.12196	1.1
182.10834	1.8
183.11642	1.6
185.09688	1.8
185.13251	6.0
187.11191	5.9
187.14774	14.4
189.12741	5.5
189.16350	1.9
191.10609	1.3
191.14291	1.6
195.11749	1.5
197.13222	16.9
199.11180	3.6
199.14830	5.3
201.12738	3.2
201.16379	1.7
203.14247	6.2
203.17918	3.7
205.12160	1.1
207.13663	1.3
209.13272	1.5
211.14848	4.8
212.15602	1.8
213.12758	9.9
213.16306	13.7
215.14287	20.7
217.15909	1.2
227.14311	4.3
231.17365	18.4
233.15306	3.3
239.16411	0.8
241.15816	3.5
241.19557	4.2
243.17287	1.0
245.15378	1.4
246.38759	0.8
255.21016	4.0
259.16638	0.8
259.20508	3.4
265.19485	3.7
273.21964	6.4
283.20517	19.3
301.21548	89.7
317.21188	0.9
319.22620	100.0
323.34738	0.9
337.20029	1.3
337.23672	16.6
354.55319	0.9
355.24640	1.6
372.25116	3.1
378.00125	0.8
387.90594	0.8
472.18063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01873	2.3
55.05505	13.9
57.03416	4.3
57.07072	2.1
59.04976	2.3
61.02913	2.2
65.11243	1.1
67.05495	27.9
67.37486	1.2
69.03413	20.6
69.07053	26.8
71.04974	33.1
73.02869	1.5
73.06533	1.3
74.09681	1.0
79.05479	16.1
81.03413	7.0
81.07036	51.8
83.04970	15.7
83.08607	8.0
85.02889	19.6
85.06529	6.0
87.04446	1.4
91.05460	17.8
92.08901	5.3
93.07022	43.3
94.07402	1.4
95.04957	12.0
95.08579	32.7
95.68867	1.2
97.02888	7.1
97.06517	14.0
97.07072	2.0
97.10143	2.3
99.04460	7.2
99.08087	6.7
101.41612	1.2
105.03378	21.1
105.07019	48.6
106.03686	2.4
107.08572	50.4
109.02882	6.0
109.06503	11.4
109.10137	61.5
111.04461	1.9
111.08096	8.7
111.11710	1.9
113.09624	1.4
117.07003	6.0
119.08557	43.0
121.06473	10.8
121.09271	1.6
121.10127	37.1
123.04424	2.8
123.08066	7.7
123.11665	13.6
125.05995	1.6
125.09606	21.0
127.03923	4.9
127.07540	8.1
127.11194	5.5
128.06212	2.0
129.07021	2.3
131.04959	1.6
131.08543	14.9
133.06494	1.8
133.10110	44.7
133.10989	1.6
134.05957	1.2
135.08006	10.3
135.11659	28.2
137.05966	6.1
137.09590	29.0
139.07524	2.5
139.11154	21.0
141.12701	2.0
142.07788	5.0
143.08562	12.0
145.04977	1.4
145.06418	1.3
145.10107	30.9
146.07239	1.4
147.04370	2.0
147.08000	10.9
147.11661	23.6
149.09627	16.4
149.13309	5.6
151.11162	11.4
153.12709	6.4
155.08531	7.8
155.10594	1.6
156.09329	2.0
157.10097	20.2
159.08055	5.1
159.11671	21.3
160.08723	1.7
161.09576	34.9
161.13214	7.5
162.05513	2.4
163.11130	14.8
165.09087	5.3
165.12708	1.5
167.10677	6.6
169.10089	8.1
171.11670	17.0
173.09592	16.3
173.13223	25.8
175.11157	36.8
175.14793	19.2
177.12712	2.4
179.10652	7.7
181.12198	2.7
182.10870	2.8
183.11670	1.7
185.09563	1.6
185.13222	12.8
187.11124	2.5
187.14751	16.6
188.15202	1.5
189.12735	6.1
189.16385	2.2
191.14284	3.0
193.12193	4.9
193.15932	2.8
195.11676	2.9
197.13176	21.4
199.11188	5.0
199.14804	7.2
201.12743	2.1
201.16406	2.2
203.14302	13.3
203.17892	2.4
205.12256	1.5
209.13251	2.2
211.14833	2.7
212.15492	1.5
213.12756	10.7
213.16295	16.1
215.14311	24.3
217.15858	1.8
219.13809	2.0
223.14798	2.4
227.14359	5.6
231.17415	28.7
233.15356	6.0
237.14766	2.0
239.04343	1.6
239.98358	1.2
241.19333	1.4
243.17406	2.0
255.21170	2.4
259.20566	2.0
265.19507	5.2
267.08676	2.8
273.22095	7.5
283.20526	22.0
301.21558	72.3
301.24997	2.9
319.22626	100.0
337.23660	97.4
355.24557	11.4
446.20578	1.8
454.32907	1.3
533.35034	1.7
534.25775	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	534.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.3
53.03925	1.6
54.30067	0.7
55.01868	7.0
55.05510	14.3
57.03428	14.2
57.07068	6.2
59.04986	3.9
61.02904	5.5
62.33497	0.7
67.05492	21.7
69.03410	20.8
69.07053	21.9
71.01333	0.9
71.04969	6.4
71.08582	1.4
73.02895	17.6
78.13327	0.7
79.05472	19.0
81.03389	5.1
81.07037	100.0
83.04954	1.5
83.08585	7.0
85.02889	47.4
85.06532	6.5
86.09679	4.3
87.04443	5.4
91.05455	8.3
92.09120	6.6
93.07023	56.2
95.04945	11.6
95.08582	50.8
97.02871	25.1
97.06492	1.2
97.10149	2.0
99.04433	1.3
103.03934	1.4
104.10740	3.6
105.03369	9.4
105.07011	8.9
107.08575	34.4
109.02856	4.6
109.06443	1.2
109.10144	28.4
111.11732	0.9
113.05991	15.1
115.03893	12.7
117.30025	0.7
119.08544	3.9
121.06471	0.8
121.10122	67.1
123.08057	0.7
123.11689	12.0
124.99966	1.8
127.03896	11.6
131.08533	1.9
133.04951	12.9
133.10092	3.6
135.11667	12.9
137.13210	1.5
143.08473	1.5
144.35640	0.8
145.04947	13.7
145.08551	3.6
147.11676	1.6
149.12201	1.2
149.13232	24.8
157.10085	1.5
159.07985	1.0
159.11638	1.2
161.09528	0.9
161.13269	1.3
163.06013	6.4
163.14804	1.6
184.07275	6.3
187.14793	1.3
201.22087	0.9
205.19495	10.5
223.06021	1.3
241.06978	1.8
251.12778	1.0
259.08127	4.2
295.10153	3.7
373.23621	4.9
407.29138	0.8
443.11765	0.9
522.80835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82147	0.1
51.42980	0.2
54.38935	0.2
54.82016	0.1
55.01854	0.2
55.05480	0.8
55.29812	0.2
56.05017	0.8
57.03419	0.3
58.06556	0.5
60.08151	11.9
60.09607	0.1
62.88874	0.2
63.64811	0.2
63.78357	0.2
66.07684	0.1
67.05485	1.2
69.03402	0.3
69.07034	0.3
71.06989	0.3
71.07352	5.3
71.08578	0.2
79.05048	0.2
79.05465	1.4
81.03383	0.3
81.07035	2.2
83.04951	0.2
85.02870	0.4
86.09688	51.1
87.75685	0.2
91.05453	1.1
92.08687	0.2
92.09197	0.2
93.07024	1.5
95.04952	0.3
95.08603	1.5
98.98434	3.8
99.04398	0.2
104.10722	19.5
105.03371	1.7
105.07013	1.1
107.08578	1.1
109.02879	0.2
109.10131	0.9
114.92023	0.2
119.08577	1.2
121.10126	0.9
124.99977	37.5
128.46178	0.2
129.60516	0.2
131.08533	0.2
133.10077	0.8
135.11649	0.4
143.01033	0.4
145.10117	0.4
147.11685	0.4
156.21001	0.2
157.10153	0.3
159.11664	0.2
173.13292	0.2
184.07303	100.0
187.14799	0.3
246.17850	0.2
249.11142	0.4
250.11176	0.2
302.41483	0.2
372.78833	0.2
516.30695	2.8
533.27014	0.3
534.32373	12.1
535.29181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01871	0.9
55.05505	3.2
55.25889	0.5
56.05033	1.1
57.03435	1.0
57.89923	0.5
58.06581	0.8
59.68003	0.5
60.07859	1.0
60.08154	23.4
61.30378	0.6
63.20456	0.6
63.54752	0.5
63.78459	0.6
65.46362	0.6
67.05499	5.2
69.03429	1.0
69.07060	1.5
71.07355	7.5
71.08608	1.0
78.10123	0.5
79.05488	4.2
81.03414	3.3
81.07061	5.5
83.08601	0.9
86.09692	71.1
90.62811	0.7
91.05453	2.8
93.07013	6.5
95.04957	3.8
95.08604	4.4
97.02859	2.5
97.06493	0.8
98.98463	5.2
99.56413	0.7
104.10729	100.0
105.03367	16.9
105.07029	4.2
107.08593	3.5
109.02900	1.4
109.06483	1.0
109.10168	3.7
111.08070	0.8
119.08571	3.2
121.06512	1.1
121.10107	1.2
124.99985	38.6
127.03917	3.7
133.10141	3.5
135.11671	1.2
145.10129	1.0
147.11699	1.3
156.30376	0.8
159.11763	0.8
164.12376	0.6
173.13223	0.9
181.21780	0.6
184.07309	94.4
195.75301	0.7
236.41368	0.6
249.07481	0.8
306.97842	0.7
335.07425	0.9
423.57501	0.8
516.31030	6.2
533.81158	1.3
534.31885	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	534.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.8
56.05019	0.3
57.03424	0.3
58.06592	0.2
59.32783	0.1
60.08147	9.4
62.95438	0.1
67.05498	1.2
69.03413	1.1
69.07049	0.6
71.07352	3.2
73.02889	0.2
79.05470	0.9
81.03417	0.3
81.07029	2.5
82.80674	0.1
83.04966	0.2
83.08551	0.2
85.02877	0.8
86.09685	46.6
87.04441	0.3
91.05453	1.1
92.08981	1.2
93.07034	2.0
95.04952	0.3
95.08597	1.9
97.02856	0.7
97.06487	0.2
98.98433	3.5
104.10717	5.1
105.03356	1.7
105.06992	1.0
106.03665	0.3
107.08569	1.7
109.02837	0.2
109.06521	0.2
109.10127	1.2
115.03909	0.9
119.08527	1.1
121.10122	2.4
123.11667	1.5
124.99973	33.4
127.03860	0.2
127.64121	0.1
131.04868	0.2
131.08572	0.7
133.04919	0.7
133.10085	0.7
135.10747	0.2
135.11606	1.1
142.22240	0.1
143.01007	1.0
147.11656	0.6
149.13220	0.8
159.11662	0.2
184.07295	100.0
185.07672	0.3
205.19467	1.2
238.05859	0.2
267.01428	0.2
294.48859	0.2
498.29114	0.7
516.23145	0.2
516.30768	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	534.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.01898	0.1
55.05497	0.3
56.05018	0.2
57.03433	0.6
57.07051	0.1
58.06574	0.3
59.07375	0.1
60.08151	8.3
65.02145	0.1
65.30534	0.1
67.05486	1.3
69.03409	1.0
69.07065	1.0
71.07357	3.2
72.47096	0.1
73.02869	0.2
79.05460	1.2
81.03393	0.2
81.07039	2.1
83.04963	0.2
83.08615	0.2
85.02892	1.2
86.09689	45.0
87.04430	0.2
87.09976	0.2
91.05461	1.2
91.05956	0.1
93.07024	2.0
93.42072	0.1
95.04992	0.5
95.08593	1.8
97.02863	0.9
98.97851	0.2
98.98447	3.5
100.53914	0.1
104.10725	4.5
104.29177	0.1
105.03381	1.6
105.06992	1.3
106.03692	0.2
106.07372	0.1
107.08575	1.7
109.02840	0.2
109.10146	1.2
114.73438	0.1
115.03892	0.5
117.07005	0.2
119.08578	1.3
120.08871	0.2
120.72001	0.1
121.10117	2.2
121.20885	0.1
123.11674	1.5
124.99979	33.4
131.08569	0.1
133.04942	0.5
133.10123	0.6
135.11682	0.9
143.01028	0.8
145.10060	0.3
147.11710	0.3
149.13222	0.7
159.11673	0.2
163.03888	0.2
166.52446	0.1
171.11725	0.2
184.07304	100.0
185.07738	0.1
189.16187	0.2
205.19528	1.0
215.14415	0.1
498.29562	0.8
516.30786	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	534.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34613	0.2
53.03936	3.7
55.01852	1.1
55.05502	2.4
57.03422	1.1
57.07061	0.3
59.70543	0.2
60.45305	0.2
61.02898	0.5
66.02726	0.3
67.05493	2.8
69.03415	9.2
69.07053	3.2
71.04969	2.2
73.02892	0.4
75.86765	0.2
77.03890	0.4
79.05476	6.9
81.03400	14.4
81.07037	5.4
83.04960	3.2
83.08586	0.4
85.02888	13.1
85.06526	0.6
91.05464	4.9
92.08973	0.3
93.07026	5.4
95.04943	6.7
95.08580	5.9
97.02873	8.9
97.03485	0.4
97.06510	1.0
97.10130	0.4
99.04440	2.9
105.03372	100.0
105.07006	7.4
106.03696	1.1
107.04930	0.5
107.08580	7.6
109.02864	9.1
109.06506	1.5
109.10135	5.2
111.04388	0.3
111.08056	0.6
115.05418	0.4
117.07013	1.7
119.04925	0.3
119.08558	24.5
121.06469	0.5
121.10121	3.9
121.11496	0.3
123.04396	8.9
123.08068	1.1
123.11697	1.4
125.09610	0.5
127.03892	6.4
131.08539	1.7
133.06436	0.3
133.10104	5.5
135.08020	1.2
135.11679	1.4
137.09584	1.9
139.11157	1.2
143.08521	0.4
145.04953	2.0
145.10097	1.7
147.04405	1.4
147.11646	1.8
148.04753	0.4
149.09622	1.1
151.11192	0.5
153.12776	0.4
157.10098	1.2
159.11670	1.4
161.09596	1.3
161.13200	1.1
163.11136	0.9
165.09145	0.3
165.45004	0.3
166.04999	0.6
167.10674	0.4
171.11714	0.3
173.13249	1.5
175.11153	0.4
175.14809	3.8
185.13219	0.4
187.14859	0.4
197.13379	0.3
231.06683	0.3
249.07521	17.9
267.08578	19.5
301.21603	1.5
319.22604	2.9
337.23706	2.9
355.24893	0.5
495.05356	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.9
53.03939	3.9
54.62314	0.5
55.01860	1.1
55.05506	3.5
57.03427	3.2
57.07067	100.0
59.05000	0.7
61.02916	3.1
66.86216	0.5
67.05492	5.5
69.03415	24.4
69.07046	5.7
71.04982	6.3
73.02877	1.0
79.05470	5.0
81.03396	32.9
81.07033	10.6
81.18588	0.5
83.04971	2.7
83.08602	0.9
84.39725	0.5
85.02889	33.7
85.06528	21.5
86.09715	0.6
91.05457	20.7
91.47775	0.6
92.08752	1.3
92.09330	1.0
93.07019	8.5
95.04945	4.6
95.08577	7.4
97.02866	28.3
97.06551	0.9
97.10118	0.8
99.04436	6.0
99.08054	0.9
103.07559	11.9
105.03374	6.2
105.07021	8.7
106.03741	1.1
106.07343	0.6
107.08553	7.4
108.04482	0.7
109.02858	19.0
109.06510	2.3
109.10143	6.8
111.08059	2.5
114.91454	0.6
117.06983	2.2
119.04955	0.6
119.08562	7.6
120.08878	0.6
121.06490	1.2
121.10130	7.9
123.04424	0.7
123.08046	2.7
123.11655	1.2
125.09612	2.7
127.03889	22.6
127.07591	1.0
131.08572	4.4
131.83673	0.5
132.53291	0.6
133.10088	8.3
135.08060	2.8
135.11665	3.9
137.05937	0.7
137.09610	0.9
143.08572	2.5
143.10568	0.7
145.04942	8.4
145.10106	5.7
147.04308	0.6
147.11682	2.5
149.09647	2.7
157.10107	2.3
159.11688	3.2
160.55890	0.6
161.09586	3.0
161.13231	0.8
163.11267	0.7
163.58797	0.6
171.11716	0.7
173.13246	2.9
175.11108	0.6
175.14806	0.8
185.13173	0.7
187.14864	2.3
191.14282	0.9
199.14886	0.6
201.12660	0.6
203.14230	0.8
205.15820	0.8
211.09573	1.3
229.10667	29.7
247.11705	50.7
276.16028	0.7
283.20538	1.0
301.21631	4.8
319.22662	4.8
326.92908	0.6
337.23587	2.6
395.19568	0.6
396.77527	0.6
471.00052	0.7
533.23395	0.9
534.24017	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	534.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.4
52.21896	0.3
53.00286	0.4
53.03936	6.9
54.04261	0.5
55.01853	1.6
55.05500	3.7
57.03418	2.3
57.07044	1.5
59.04982	0.8
61.02902	1.4
67.05489	6.8
69.03411	14.3
69.07050	7.5
71.04975	4.8
73.02892	1.4
74.09674	0.4
79.05468	9.7
81.03397	18.7
81.07033	14.8
82.03753	0.5
83.04948	2.8
83.08585	1.6
85.02882	15.9
85.06510	3.0
87.04443	0.6
87.62918	0.3
91.05444	6.0
91.38152	0.3
92.08815	1.3
92.09352	0.6
93.07019	12.4
93.07565	0.7
95.04943	9.7
95.08576	11.2
97.02866	13.4
97.06505	4.1
97.10133	0.8
98.03181	0.5
99.04430	4.0
99.04996	0.4
99.08052	1.8
101.05970	0.4
105.03368	100.0
105.07000	12.9
106.03702	1.9
107.04926	0.6
107.08568	14.9
109.02856	12.3
109.06499	2.7
109.10132	14.2
110.03197	1.4
111.04410	6.3
111.08041	1.5
111.95051	0.4
113.05995	0.6
117.06952	2.6
119.04907	1.5
119.08555	12.4
119.41657	0.4
121.02863	0.4
121.06498	2.5
121.10113	12.4
123.04395	9.8
123.08022	2.2
123.11656	2.7
125.05960	1.4
125.09586	2.9
127.03889	8.8
127.07488	0.5
127.11207	1.3
128.04218	0.6
128.06190	0.4
129.06969	1.3
131.08537	5.0
132.08830	0.4
133.04904	0.4
133.10086	11.3
134.10352	0.4
135.08073	3.0
135.11659	5.9
137.05943	0.8
137.09602	4.5
139.07518	0.5
139.11107	1.4
143.08521	2.6
145.04942	2.5
145.06474	0.7
145.10089	8.9
147.04398	0.5
147.08037	2.2
147.11647	4.9
149.09598	2.9
149.13269	1.5
151.11177	1.8
153.01889	0.4
153.09081	0.5
153.12715	0.7
157.06412	0.4
157.10133	3.1
159.07997	1.6
159.11627	3.5
161.09593	4.4
161.13216	1.9
163.07545	0.4
163.11147	3.7
163.14783	0.8
165.09044	2.4
165.12770	0.6
166.04950	4.2
167.10660	1.3
169.10078	0.5
171.11600	2.5
173.09592	1.6
173.13199	4.2
174.06737	0.4
174.10042	0.4
174.13588	0.5
175.11143	2.9
175.14798	2.2
177.09055	0.6
179.10670	1.4
181.12236	1.3
185.13185	1.4
187.06013	0.4
187.14822	2.2
189.12674	0.6
191.10660	2.6
191.14328	1.8
197.13222	0.6
199.14687	1.3
201.12798	0.5
201.16408	1.5
203.14325	1.8
205.15924	1.2
209.11726	1.8
211.14839	0.6
213.12869	0.4
213.16333	0.5
215.14270	1.6
215.17822	0.5
217.15845	0.4
227.12621	2.4
231.06572	0.6
231.17502	1.6
239.16386	2.3
243.15860	0.4
249.07520	16.8
250.08255	0.6
255.21005	1.3
267.08560	17.8
273.22031	0.7
283.20493	2.0
287.05466	8.7
288.05734	11.0
301.21558	8.7
319.22623	16.5
329.59851	0.4
337.23636	7.7
355.24579	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	534.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47467	0.5
53.03931	3.9
54.01068	0.5
55.01862	2.5
55.05505	3.8
57.03428	3.9
57.07066	100.0
59.04979	0.7
61.02909	3.4
67.05487	5.3
69.03412	27.2
69.07050	8.5
69.07381	0.9
70.06552	0.8
71.04981	7.0
73.02879	1.0
79.05470	7.4
80.05023	0.7
81.03394	30.5
81.07034	14.0
83.04964	3.3
83.08607	1.6
85.02889	34.3
85.06526	21.8
87.04426	0.9
88.39495	0.7
91.05454	20.0
92.08714	1.2
92.09203	1.1
93.07014	10.8
95.04957	5.3
95.08582	11.2
97.02863	27.1
97.06495	3.1
97.10092	0.8
99.04422	6.6
99.08077	1.1
103.07561	9.9
105.03375	6.0
105.07014	10.7
106.03698	2.6
107.08578	11.0
108.04479	0.7
109.02864	19.1
109.06488	3.2
109.10145	9.1
111.08069	2.8
117.06946	2.2
119.04961	0.9
119.08566	9.1
120.08879	0.8
121.06484	2.4
121.07438	0.5
121.10106	10.0
123.08056	2.6
123.11671	2.6
125.05954	0.9
125.09607	2.9
125.64398	0.7
127.03889	21.1
127.07527	0.9
131.08525	4.5
133.06458	0.9
133.10098	9.6
135.08037	2.8
135.11652	6.1
137.06044	0.6
137.09610	4.7
139.11127	1.4
143.08525	1.3
143.10657	1.2
145.04926	9.3
145.10088	7.2
147.04375	0.8
147.08014	0.8
147.11674	4.1
149.09619	2.8
149.13235	1.6
151.11098	0.9
155.10660	0.7
157.10081	3.4
159.08008	1.0
159.11665	4.5
161.09639	1.6
161.13246	2.7
163.11101	0.9
165.09087	0.9
165.12691	1.0
167.10605	1.2
171.11693	1.2
173.13220	3.2
175.11139	1.2
175.14771	0.9
177.12679	1.0
183.11633	1.0
185.13339	1.2
187.14700	1.3
189.12715	1.2
191.14272	3.2
192.14600	1.4
199.14716	0.9
201.12759	1.4
201.16373	0.7
207.13718	0.9
211.09633	2.7
215.14281	0.8
229.10658	29.2
237.14740	0.9
245.15211	0.9
247.11714	48.6
283.20740	0.7
301.21613	3.4
319.22672	6.9
337.23654	3.8
362.70285	0.7
427.31180	0.7
533.23969	0.9
534.23712	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	534.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23114	0.2
54.81820	0.3
55.01868	5.6
55.05481	0.4
56.96545	0.3
57.03430	11.2
59.04974	0.7
61.02917	3.5
67.05449	0.3
68.05013	3.1
69.03085	0.4
69.03415	8.9
70.06582	4.2
71.00981	0.3
71.01337	5.3
71.04951	0.7
73.02493	0.3
73.02894	7.2
81.03369	1.3
83.04932	0.4
84.04467	1.3
84.08121	0.7
85.02888	12.6
86.06052	4.7
86.09663	1.5
87.04446	2.6
91.03898	0.4
95.04958	0.3
95.06041	1.2
96.04467	0.3
97.02863	6.8
97.07661	0.9
97.67187	0.3
98.05480	0.3
98.06033	4.7
98.97526	0.5
99.04400	1.4
101.05945	0.3
103.03884	1.2
109.02827	0.3
112.08666	1.8
113.07098	0.3
114.05489	0.6
115.03899	4.7
115.08636	0.4
116.98567	0.4
117.05454	0.4
119.01861	0.4
120.08068	5.2
123.05508	0.6
126.05437	0.3
127.03882	3.3
128.06987	0.3
132.06488	0.3
133.04945	3.1
136.06169	2.5
136.07521	1.4
140.08110	0.4
141.05521	0.5
141.06567	9.2
141.07620	0.3
145.04929	0.7
146.99553	0.3
148.07552	0.5
157.04907	0.3
163.03873	0.4
164.11737	2.0
165.10194	12.1
166.08604	0.3
169.06046	0.4
178.04909	0.3
182.12863	1.2
183.11244	7.6
185.10258	0.4
192.11269	3.4
193.09702	1.6
209.09184	0.5
210.07791	0.4
210.12338	15.1
211.10742	100.0
221.05040	0.4
225.77191	0.3
228.13431	0.7
236.10194	0.4
237.02759	1.2
253.12740	2.7
253.15242	0.3
254.11339	0.4
270.15588	5.7
295.13928	3.5
337.14774	0.3
343.14923	16.3
380.23318	0.3
402.19760	13.2
475.19122	6.3
534.23956	86.4
535.23981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
55.05487	0.2
57.03413	0.4
59.04987	1.1
61.02902	0.2
63.02370	0.1
67.05485	0.1
69.03410	1.2
69.07032	0.2
69.42113	0.1
70.06565	0.1
71.04958	0.1
72.08128	0.1
79.05462	0.3
81.03384	0.2
83.04948	0.7
83.08587	0.3
85.02888	2.8
87.04434	0.2
89.03897	3.2
91.05431	0.2
95.04942	0.6
95.08510	0.1
97.02856	1.2
107.04939	1.7
109.02848	0.2
109.06546	0.1
111.04412	0.5
117.02514	0.2
117.03355	5.0
127.03904	0.6
127.84060	0.1
129.05447	0.5
129.10289	0.1
135.04390	15.9
137.05942	0.2
144.08049	0.2
145.02823	14.4
147.04390	0.2
147.06551	0.2
163.03868	100.0
175.09639	0.2
193.07056	1.1
193.14333	0.2
227.62732	0.1
260.73419	0.1
334.49203	0.2
355.10187	1.6
481.84583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17430	0.1
50.34681	0.1
53.03936	0.2
55.01876	0.1
57.03421	0.2
61.02903	0.2
63.02353	0.1
66.83062	0.1
69.03397	0.6
70.06557	0.2
71.04984	0.1
73.02895	0.1
79.05492	0.7
81.03380	0.2
83.04967	0.5
85.02892	2.0
86.09696	0.1
89.03893	3.3
91.05459	0.2
95.04935	0.6
97.02861	0.6
105.03359	0.2
107.04943	1.8
109.02892	0.1
109.06449	0.1
111.04426	0.5
117.03361	6.0
119.04885	0.1
125.41148	0.1
127.03873	0.2
135.04395	18.0
137.06023	0.1
139.03874	0.2
143.14021	0.1
145.02831	15.1
147.04402	0.2
147.06519	0.2
149.05867	0.1
163.03877	100.0
164.04166	0.5
164.07080	0.2
172.39264	0.1
193.07062	1.1
205.06500	0.1
355.10175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.5
55.01868	2.9
55.05501	18.7
57.03418	1.8
57.07059	19.2
59.04960	1.7
65.03932	2.0
65.34492	1.5
67.05492	19.0
69.03411	20.5
69.07054	19.1
71.04974	8.3
71.14433	1.6
79.05466	33.9
81.03403	16.5
81.07035	66.0
83.04966	8.6
83.08604	7.4
85.02886	16.6
85.06521	8.8
86.44168	1.7
91.05457	39.3
92.08894	13.0
93.07019	52.1
93.07565	2.8
95.04938	12.9
95.08585	53.6
97.02874	13.1
97.06495	7.3
99.04450	2.1
99.08071	3.2
105.03373	33.2
105.07005	93.5
107.04935	2.7
107.08577	66.8
108.08942	2.5
109.02859	6.9
109.06509	23.5
109.10131	29.4
111.08049	8.1
115.05454	3.2
117.06992	18.9
119.04931	2.4
119.07706	3.6
119.08561	100.0
121.02842	6.8
121.06490	15.5
121.10114	44.5
123.04392	3.1
123.08060	11.1
123.11672	11.1
125.09569	2.3
127.03870	9.2
128.06232	3.6
129.06975	12.3
130.07759	3.3
131.04915	2.2
131.08536	61.7
133.06482	9.4
133.10103	73.8
135.04306	1.9
135.08029	22.2
135.11638	22.1
137.05974	8.3
137.09621	8.2
141.07004	3.4
141.09140	1.9
142.07771	10.5
143.08536	38.7
144.09258	9.1
145.04955	2.5
145.06477	3.1
145.10103	98.1
145.11221	3.9
147.08028	12.0
147.11659	43.8
147.12730	2.5
149.09587	15.3
149.13263	7.5
151.07509	2.2
151.11134	2.3
153.01804	2.8
155.08513	10.0
156.09344	13.5
157.06516	2.2
157.10092	49.2
158.10869	8.3
159.08032	12.0
159.11661	60.2
161.09596	16.8
161.13213	33.9
163.07520	7.6
163.11162	10.8
163.14813	8.8
165.06953	2.2
165.09087	4.1
168.09328	3.3
169.10081	13.6
170.10866	10.8
171.11646	34.3
172.12198	2.5
173.09575	10.7
173.13220	44.4
175.11163	13.2
175.14781	40.7
177.09108	14.6
177.12740	7.1
177.16327	7.0
179.10748	2.6
181.10068	3.1
182.10889	3.8
183.11655	17.4
185.13234	32.1
187.11168	9.0
187.14783	53.9
189.12715	16.5
189.16321	20.4
191.10608	3.0
191.14291	9.9
193.15901	3.7
195.11714	9.3
197.13226	22.4
199.11131	2.9
199.14799	35.5
201.12726	15.2
201.16325	12.0
203.14285	29.4
203.17809	2.3
205.15872	8.4
207.13766	3.8
208.70108	1.9
209.13211	9.3
211.14764	9.1
213.12729	7.3
213.16440	8.2
215.14342	19.6
217.15831	17.0
219.13899	2.8
221.13251	2.4
221.15291	7.0
223.14790	6.0
225.16371	3.1
227.14308	9.7
227.17909	3.2
229.10638	2.3
229.15897	6.4
231.13785	2.4
231.17447	6.2
233.15297	18.6
235.16972	3.1
239.18065	2.9
245.15318	4.0
247.16884	7.3
249.14764	2.3
249.18542	2.6
251.16434	9.9
259.16968	2.8
263.16360	2.2
265.17984	7.9
277.17908	7.6
287.05453	71.6
287.08618	2.5
318.21475	2.3
325.21237	2.7
336.22543	2.2
401.28250	3.9
407.29105	6.3
419.29315	13.6
437.25742	2.1
437.30505	28.6
443.31186	1.6
453.29745	3.2
455.31479	30.3
465.29913	2.6
467.31082	4.1
473.32693	18.2
479.31436	7.2
497.32526	20.7
515.33508	3.1
523.76727	2.4
533.34314	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.4
55.05510	17.2
55.67105	1.6
57.03431	4.9
57.07071	3.5
57.62635	2.0
63.37326	1.9
67.05491	24.4
69.03414	11.4
69.07053	23.5
71.01357	2.4
73.06486	2.0
76.49628	1.9
78.44861	1.8
79.05475	27.4
81.03409	3.4
81.07040	62.4
83.04964	12.8
83.08612	8.7
85.02901	5.4
85.06526	2.6
91.05454	37.4
92.08803	12.5
93.07025	51.2
95.04942	17.2
95.08588	55.0
97.02840	2.4
97.05781	1.8
97.06502	10.8
99.04449	3.7
103.05412	2.0
105.03371	33.2
105.07015	90.5
107.04942	3.2
107.08585	65.2
109.02893	2.2
109.06509	14.8
109.10149	29.2
111.08093	4.0
115.05441	4.7
117.07009	15.6
119.08559	100.0
121.06494	5.4
121.10114	34.7
123.08051	10.6
123.11684	10.6
125.09560	3.6
128.06180	4.2
129.06989	14.9
130.07744	3.2
131.08539	62.8
131.09448	3.7
133.06523	3.2
133.10106	75.5
135.08029	17.7
135.11662	21.0
137.05951	5.5
137.09636	4.9
139.07555	2.6
141.07051	2.3
142.07784	12.2
143.08542	35.8
144.09308	5.1
145.06470	4.7
145.10101	88.6
147.04401	3.0
147.08022	16.2
147.11678	39.6
149.05959	3.8
149.09572	15.7
149.13257	13.4
151.07513	2.7
155.05954	2.5
155.08533	13.8
156.09334	15.5
157.10114	48.3
158.10858	3.9
159.08044	16.2
159.11658	56.6
161.09595	15.6
161.13243	48.0
163.07558	4.9
163.11182	8.4
163.14813	15.6
165.09180	2.8
169.10054	18.1
170.10878	4.0
171.11642	42.5
173.09616	15.5
173.13213	62.0
175.11128	15.4
175.14772	46.2
177.09015	8.5
177.12755	4.4
177.16444	3.5
179.14264	8.5
181.10063	8.5
183.11674	19.3
185.09659	4.5
185.13226	32.4
187.11150	11.0
187.14793	42.7
189.12730	21.3
189.16400	10.6
191.14258	15.0
193.15887	11.6
195.11681	8.4
197.13232	12.6
199.14767	33.0
201.12677	18.8
201.16277	15.5
202.64685	2.5
203.14282	13.3
203.17937	4.6
205.15846	15.8
207.11743	3.0
207.13823	2.3
209.13281	4.7
211.14755	9.4
213.12714	11.3
213.16362	12.8
215.14276	13.8
217.15804	16.2
219.13739	5.2
221.15294	8.3
221.18889	2.8
223.14883	3.6
227.14326	4.6
229.15858	4.9
231.13806	4.0
231.17400	4.3
233.15334	10.3
243.17386	8.1
245.15381	7.9
245.18861	4.3
247.17030	4.6
251.16443	10.6
253.19714	2.9
255.17503	3.9
259.16916	5.0
263.16266	2.7
267.15704	2.5
273.18228	3.4
275.17841	2.7
317.21146	2.3
389.28201	2.9
401.28360	8.4
407.29373	3.1
419.29321	13.6
425.30197	4.7
437.30441	19.3
455.31351	19.7
465.29898	2.5
473.32745	25.7
479.31415	12.6
497.32431	14.8
515.29108	21.1
533.30310	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.4
55.05510	17.2
55.67105	1.6
57.03431	4.9
57.07071	3.5
57.62635	2.0
63.37326	1.9
67.05491	24.4
69.03414	11.4
69.07053	23.5
71.01357	2.4
73.06486	2.0
76.49628	1.9
78.44861	1.8
79.05475	27.4
81.03409	3.4
81.07040	62.4
83.04964	12.8
83.08612	8.7
85.02901	5.4
85.06526	2.6
91.05454	37.4
92.08803	12.5
93.07025	51.2
95.04942	17.2
95.08588	55.0
97.02840	2.4
97.05781	1.8
97.06502	10.8
99.04449	3.7
103.05412	2.0
105.03371	33.2
105.07015	90.5
107.04942	3.2
107.08585	65.2
109.02893	2.2
109.06509	14.8
109.10149	29.2
111.08093	4.0
115.05441	4.7
117.07009	15.6
119.08559	100.0
121.06494	5.4
121.10114	34.7
123.08051	10.6
123.11684	10.6
125.09560	3.6
128.06180	4.2
129.06989	14.9
130.07744	3.2
131.08539	62.8
131.09448	3.7
133.06523	3.2
133.10106	75.5
135.08029	17.7
135.11662	21.0
137.05951	5.5
137.09636	4.9
139.07555	2.6
141.07051	2.3
142.07784	12.2
143.08542	35.8
144.09308	5.1
145.06470	4.7
145.10101	88.6
147.04401	3.0
147.08022	16.2
147.11678	39.6
149.05959	3.8
149.09572	15.7
149.13257	13.4
151.07513	2.7
155.05954	2.5
155.08533	13.8
156.09334	15.5
157.10114	48.3
158.10858	3.9
159.08044	16.2
159.11658	56.6
161.09595	15.6
161.13243	48.0
163.07558	4.9
163.11182	8.4
163.14813	15.6
165.09180	2.8
169.10054	18.1
170.10878	4.0
171.11642	42.5
173.09616	15.5
173.13213	62.0
175.11128	15.4
175.14772	46.2
177.09015	8.5
177.12755	4.4
177.16444	3.5
179.14264	8.5
181.10063	8.5
183.11674	19.3
185.09659	4.5
185.13226	32.4
187.11150	11.0
187.14793	42.7
189.12730	21.3
189.16400	10.6
191.14258	15.0
193.15887	11.6
195.11681	8.4
197.13232	12.6
199.14767	33.0
201.12677	18.8
201.16277	15.5
202.64685	2.5
203.14282	13.3
203.17937	4.6
205.15846	15.8
207.11743	3.0
207.13823	2.3
209.13281	4.7
211.14755	9.4
213.12714	11.3
213.16362	12.8
215.14276	13.8
217.15804	16.2
219.13739	5.2
221.15294	8.3
221.18889	2.8
223.14883	3.6
227.14326	4.6
229.15858	4.9
231.13806	4.0
231.17400	4.3
233.15334	10.3
243.17386	8.1
245.15381	7.9
245.18861	4.3
247.17030	4.6
251.16443	10.6
253.19714	2.9
255.17503	3.9
259.16916	5.0
263.16266	2.7
267.15704	2.5
273.18228	3.4
275.17841	2.7
317.21146	2.3
389.28201	2.9
401.28360	8.4
407.29373	3.1
419.29321	13.6
425.30197	4.7
437.30441	19.3
455.31351	19.7
465.29898	2.5
473.32745	25.7
479.31415	12.6
497.32431	14.8
515.29108	21.1
533.30310	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.272
Annotation	Roridin A
Peak:m/z	Relative Intensity
53.69565	0.7
55.05501	1.1
57.03411	1.4
67.05506	8.2
69.07052	3.1
71.04967	1.6
72.87930	0.7
79.05464	5.5
81.03387	3.7
81.07038	9.7
82.43413	0.9
83.04980	1.1
83.08598	1.4
85.02879	3.3
91.05460	4.9
93.07032	5.6
95.04951	1.7
95.08573	5.1
97.06531	0.9
97.10172	0.9
101.71037	0.8
105.03380	1.5
105.07021	4.0
107.08596	3.8
109.06525	0.9
109.10143	1.7
117.92546	0.9
119.08568	4.0
119.46249	0.7
121.10132	1.2
124.99995	1.1
131.08531	1.2
133.10173	3.2
135.11746	1.2
145.10150	1.2
147.11685	2.0
157.10211	1.0
159.11560	1.1
163.11137	2.9
184.07301	5.0
211.75153	0.9
227.12712	1.5
249.10945	32.5
305.13568	10.0
306.07004	0.9
307.15109	1.2
382.14780	0.9
445.19278	0.9
470.98468	0.8
509.37735	1.0
533.27130	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	533.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33698	0.4
53.53621	0.4
54.76780	0.4
55.05493	2.4
55.28685	0.4
57.03420	1.1
59.04996	0.5
67.05493	4.5
67.60085	0.4
69.03413	0.5
69.07049	0.9
70.50047	0.4
70.85909	0.5
71.04984	0.8
79.05476	4.3
79.06129	0.5
81.03406	3.7
81.07043	4.7
83.01346	0.6
83.04961	1.0
83.08600	2.0
85.02904	2.3
91.05457	2.7
93.07029	3.5
95.04945	2.2
95.08606	3.6
105.03374	1.1
105.07018	2.7
107.08593	2.2
109.06462	0.9
109.10141	2.0
111.08176	0.6
113.05999	0.6
117.07008	0.7
119.08565	2.3
121.10128	2.0
123.08051	0.7
129.06967	0.8
131.08559	0.9
133.10046	1.8
135.11711	0.6
145.10066	0.9
147.11711	0.5
149.13225	0.8
157.10080	1.0
159.11729	0.6
163.11180	1.0
167.70714	0.5
211.13336	0.7
249.10887	2.8
251.12479	2.6
267.15723	0.6
267.31656	0.5
285.91083	0.6
305.13608	1.9
307.15231	5.0
331.92993	0.5
332.52280	0.6
386.38989	0.7
462.29388	0.7
470.13751	0.7
480.64993	0.6
532.79901	0.6
533.27130	100.0
534.27271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
55.05500	5.4
57.03423	4.0
57.07055	4.0
61.02906	4.8
67.05492	5.4
69.03414	67.3
69.07053	7.7
70.06585	0.9
71.04981	4.5
73.02901	2.2
77.06783	0.9
77.73642	0.9
79.05457	7.6
81.03407	5.5
81.07037	11.6
83.04968	5.6
83.08607	1.6
85.02890	42.3
85.06519	5.6
87.04465	1.7
91.05463	9.8
92.09146	3.0
93.07018	9.6
95.04955	1.7
95.08585	14.0
97.02866	11.1
97.06492	8.3
105.07008	20.5
107.08571	24.9
109.02885	3.6
109.06500	9.0
109.10148	5.2
109.30531	1.0
111.08080	4.6
117.06992	1.8
119.08552	11.8
121.06478	1.7
121.10109	18.3
122.07323	1.2
123.08061	5.4
123.11691	5.3
125.09602	25.2
126.17516	1.0
127.03918	6.3
129.06963	1.0
131.08531	22.5
133.10103	100.0
135.08029	18.4
135.11708	7.9
137.06064	1.1
137.09593	26.1
143.08565	4.9
144.09355	1.0
145.04953	5.4
145.10121	9.8
147.04414	1.9
147.11674	9.4
149.09567	10.2
149.13226	8.2
151.11171	2.0
153.09093	6.1
158.10886	10.0
161.09619	2.3
163.06036	1.5
163.11130	4.1
163.14798	4.6
165.12726	1.9
167.07079	1.1
171.11690	1.3
173.13226	46.0
191.14270	99.0
209.15327	72.4
277.72467	0.9
352.51291	0.9
353.19684	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30068	0.2
53.03911	0.3
55.05475	1.5
57.03403	0.2
57.07051	0.3
58.70760	0.2
63.96479	0.2
64.81544	0.2
65.03890	0.2
66.48485	0.2
66.89388	0.2
66.92278	0.2
67.05489	1.7
69.03078	0.2
69.03414	4.5
69.07072	2.1
71.04980	0.4
72.79846	0.2
79.05468	3.4
81.03383	0.4
81.07036	6.6
83.04953	1.0
83.08583	0.4
85.02882	2.5
91.05449	3.2
93.07035	2.1
95.04939	0.4
95.08569	1.1
97.02892	0.4
97.06508	0.3
103.05476	0.2
105.07005	5.0
107.04924	1.3
107.08575	19.7
109.06497	6.5
109.10139	6.3
115.05418	1.2
117.06992	2.2
119.06028	0.3
119.08553	2.1
121.06456	1.2
121.10122	12.8
122.07277	3.1
123.08035	1.2
131.08525	1.5
133.10106	100.0
135.08034	14.0
135.09081	0.5
135.11714	1.1
137.09595	61.5
141.37965	0.2
143.08539	0.3
145.04933	0.5
145.10164	0.9
147.11646	1.5
149.09642	0.4
149.13234	12.4
151.11160	0.9
158.10916	1.1
163.14812	1.9
173.13213	5.7
185.13464	0.3
191.14273	30.1
209.15338	17.1
223.12729	0.3
246.14864	0.3
456.82925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01848	0.6
55.05500	4.6
57.03433	1.4
57.07067	1.2
59.04991	1.5
61.02915	1.4
62.63951	0.7
64.55017	0.6
65.43516	0.6
67.05492	4.8
69.03415	15.2
69.07046	8.2
71.04977	7.4
79.05470	5.1
81.03386	2.9
81.07041	10.5
83.04960	11.8
83.08597	4.2
85.02889	17.4
85.06538	1.3
91.05460	4.7
92.09101	0.9
93.07027	11.0
94.87829	0.8
95.04938	6.5
95.08583	24.1
97.02860	4.9
97.06502	5.8
99.04458	1.1
99.08066	5.4
105.03402	0.9
105.07001	12.0
107.04934	0.9
107.08572	40.6
109.02832	1.3
109.06512	10.6
109.10150	16.3
111.08076	3.1
119.08551	8.3
121.06477	3.5
121.09255	1.5
121.10122	40.7
123.08008	7.6
123.11692	4.6
125.09614	14.1
127.03914	3.1
131.08534	9.0
133.10107	49.6
135.08034	16.0
135.11649	6.8
137.06006	0.7
137.09590	13.8
139.11174	5.1
143.08641	1.1
145.04938	1.2
145.10123	6.3
147.11656	11.1
149.09598	13.4
149.13228	24.0
151.11162	100.0
153.09116	1.8
158.10901	4.4
163.11197	1.2
163.14790	11.9
165.12720	11.4
167.07036	0.9
171.11719	1.1
173.13220	24.0
173.86838	0.9
191.14275	66.9
209.15332	83.2
210.15623	0.7
224.57309	0.8
286.41629	0.8
304.26462	0.7
394.20709	0.7
406.02975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.00646	0.6
55.01860	5.2
55.05501	7.1
57.03425	10.5
58.97386	0.6
59.04983	1.1
60.41690	0.5
60.95952	0.6
61.02914	12.6
65.18615	0.7
65.99026	0.6
67.05486	10.4
69.03416	36.4
69.07053	14.9
69.67735	0.6
71.04977	10.9
73.02901	4.8
74.86970	0.6
79.05482	7.8
81.03394	18.2
81.07035	16.4
83.01334	1.4
83.04974	4.9
83.08623	1.3
85.02888	100.0
85.06517	5.2
87.04456	3.9
91.03931	3.5
91.05452	12.6
93.07020	16.0
95.04948	15.9
95.08586	14.8
96.08897	1.0
97.02869	34.6
97.06527	5.8
99.04430	8.7
99.08100	2.9
103.03882	0.9
105.03376	21.7
105.07008	21.1
106.03710	1.7
106.07350	1.0
107.04922	1.5
107.08578	20.7
107.09295	1.1
108.08933	0.9
109.02859	13.5
109.06482	9.4
109.10140	17.1
110.06193	0.8
110.10477	1.2
111.04488	1.2
111.08073	3.0
113.06011	1.0
116.08778	0.8
117.07011	3.9
119.04916	9.1
119.05648	0.7
119.06084	0.7
119.08562	16.1
120.08877	0.8
121.06482	6.6
121.10120	9.9
122.07274	5.8
122.10515	1.0
123.04414	3.6
123.08034	22.8
123.11652	2.7
125.09630	3.8
127.03888	22.4
127.07552	4.8
127.11155	1.0
129.06999	1.4
131.08525	9.3
133.06528	1.2
133.10120	17.0
134.10426	1.2
134.77448	0.7
135.04404	3.7
135.08028	34.9
135.11668	7.4
136.08434	1.1
137.05956	1.0
137.09593	9.6
138.09982	0.8
142.07773	1.5
143.08548	4.5
143.10651	1.7
144.09155	0.8
145.02882	1.0
145.04932	23.2
145.10112	11.3
146.10493	1.3
147.04379	31.2
147.08044	4.3
147.11624	7.1
149.09619	4.9
149.13242	3.5
151.07555	1.4
151.11145	2.8
153.09106	0.9
155.07224	0.9
155.08548	1.3
156.09325	0.8
157.10135	6.5
158.10966	1.0
159.08011	7.2
159.11635	5.2
160.08318	1.4
160.12131	0.9
161.05992	1.0
161.09605	4.1
161.13287	2.8
163.03886	12.2
163.05963	1.7
163.11188	1.0
163.14900	1.0
165.09087	1.4
165.12720	17.4
166.09517	0.8
169.10112	1.3
170.10768	1.4
171.11644	4.2
173.09615	1.1
173.13188	6.9
175.11200	3.2
175.14812	4.8
176.11943	4.6
183.11674	1.2
185.13281	3.9
187.14754	1.1
189.12831	3.4
190.13156	0.8
191.14275	66.7
193.15810	6.6
195.11664	1.1
197.13223	1.4
199.14912	2.7
201.12704	1.1
207.13771	2.8
209.13437	1.2
209.15286	10.3
211.14737	1.1
213.12833	1.8
214.72417	0.9
215.14418	1.1
217.12225	1.0
224.43748	0.9
229.15833	0.8
231.13820	2.9
249.07553	3.4
267.08694	1.2
299.20020	6.7
300.20416	4.1
309.09552	1.0
317.20999	7.6
318.21481	3.7
325.08893	1.1
335.22241	3.7
336.22391	1.2
351.90536	0.8
371.20538	8.9
418.29041	0.8
480.06207	0.8
533.25854	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	533.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.3
53.03937	4.8
53.85339	0.2
55.01868	2.5
55.02101	0.3
55.05505	2.0
56.66613	0.2
57.03417	1.7
57.07074	0.3
58.85944	0.2
59.04969	0.4
61.02900	0.4
65.03906	0.3
67.05492	4.2
67.18621	0.2
68.00020	0.3
68.99757	0.4
69.03410	10.4
69.07040	2.5
71.04971	7.4
71.49406	0.2
72.08121	1.2
73.02880	0.5
79.05470	3.2
80.05822	0.3
81.03394	22.0
81.07028	6.3
82.07366	0.5
83.01318	0.6
83.04947	1.8
83.08592	0.3
85.02882	9.1
85.06514	1.2
91.05453	3.7
92.09075	0.5
93.07019	6.0
94.07352	0.6
95.04934	3.9
95.08584	5.9
95.09164	0.3
96.08915	0.3
97.02859	6.5
97.06488	1.6
97.10171	0.3
99.04429	24.8
99.08059	1.1
101.42476	0.2
103.03902	1.9
105.03368	11.7
105.06998	6.5
106.07325	0.4
107.04938	1.3
107.08571	6.3
108.08891	0.3
109.02856	31.2
109.06510	1.9
109.10132	6.7
110.10484	0.6
111.04420	0.5
111.08026	1.0
113.09615	0.3
115.03883	0.6
117.06988	1.3
119.04919	1.3
119.08545	5.8
120.08887	0.5
121.02816	0.5
121.06465	1.8
121.10110	4.1
123.04417	0.5
123.08001	0.5
123.11662	1.6
125.05908	0.3
125.09598	1.1
127.03883	100.0
129.06960	0.6
131.08554	2.4
133.06445	0.3
133.10081	5.3
134.10400	0.5
135.08017	1.6
135.11661	1.4
137.05981	0.3
137.09567	3.0
139.03821	0.3
139.11189	0.4
142.07761	0.4
143.08531	2.0
143.10599	0.4
145.02902	0.3
145.04939	9.1
145.06348	0.4
145.10103	3.4
146.10396	0.3
147.04373	2.7
147.07991	1.5
147.11653	2.1
149.09589	1.6
149.13123	0.3
151.07526	0.3
151.11163	0.3
153.01770	0.3
155.08514	0.6
155.10654	0.3
156.09265	0.4
157.10114	1.9
158.10587	0.3
159.08009	0.5
159.11641	2.4
161.09644	2.1
161.13205	1.1
163.03844	0.5
163.07532	0.3
163.11119	0.4
165.01804	0.4
165.09061	1.3
169.04918	5.3
169.10100	0.5
171.11653	1.4
173.09547	1.0
173.13220	1.6
175.11191	0.6
175.14792	1.1
177.05479	0.3
177.09044	0.5
177.12656	0.3
183.11649	0.3
185.13176	1.2
187.05972	12.9
187.07652	0.4
187.14824	0.3
189.08961	0.4
189.12712	1.0
195.11595	0.3
197.13208	0.4
199.14735	0.4
201.12729	0.4
203.14384	0.3
203.17947	1.0
211.14818	0.3
215.14403	0.3
229.07016	18.6
247.08064	3.9
249.07507	0.5
267.08606	0.4
281.19067	0.3
287.05417	10.2
299.20129	2.8
300.20334	1.0
317.21143	2.7
317.24539	0.5
318.21280	1.8
335.22122	1.3
336.22488	0.5
533.23285	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.3
53.03937	4.8
53.85339	0.2
55.01868	2.5
55.02101	0.3
55.05505	2.0
56.66613	0.2
57.03417	1.7
57.07074	0.3
58.85944	0.2
59.04969	0.4
61.02900	0.4
65.03906	0.3
67.05492	4.2
67.18621	0.2
68.00020	0.3
68.99757	0.4
69.03410	10.4
69.07040	2.5
71.04971	7.4
71.49406	0.2
72.08121	1.2
73.02880	0.5
79.05470	3.2
80.05822	0.3
81.03394	22.0
81.07028	6.3
82.07366	0.5
83.01318	0.6
83.04947	1.8
83.08592	0.3
85.02882	9.1
85.06514	1.2
91.05453	3.7
92.09075	0.5
93.07019	6.0
94.07352	0.6
95.04934	3.9
95.08584	5.9
95.09164	0.3
96.08915	0.3
97.02859	6.5
97.06488	1.6
97.10171	0.3
99.04429	24.8
99.08059	1.1
101.42476	0.2
103.03902	1.9
105.03368	11.7
105.06998	6.5
106.07325	0.4
107.04938	1.3
107.08571	6.3
108.08891	0.3
109.02856	31.2
109.06510	1.9
109.10132	6.7
110.10484	0.6
111.04420	0.5
111.08026	1.0
113.09615	0.3
115.03883	0.6
117.06988	1.3
119.04919	1.3
119.08545	5.8
120.08887	0.5
121.02816	0.5
121.06465	1.8
121.10110	4.1
123.04417	0.5
123.08001	0.5
123.11662	1.6
125.05908	0.3
125.09598	1.1
127.03883	100.0
129.06960	0.6
131.08554	2.4
133.06445	0.3
133.10081	5.3
134.10400	0.5
135.08017	1.6
135.11661	1.4
137.05981	0.3
137.09567	3.0
139.03821	0.3
139.11189	0.4
142.07761	0.4
143.08531	2.0
143.10599	0.4
145.02902	0.3
145.04939	9.1
145.06348	0.4
145.10103	3.4
146.10396	0.3
147.04373	2.7
147.07991	1.5
147.11653	2.1
149.09589	1.6
149.13123	0.3
151.07526	0.3
151.11163	0.3
153.01770	0.3
155.08514	0.6
155.10654	0.3
156.09265	0.4
157.10114	1.9
158.10587	0.3
159.08009	0.5
159.11641	2.4
161.09644	2.1
161.13205	1.1
163.03844	0.5
163.07532	0.3
163.11119	0.4
165.01804	0.4
165.09061	1.3
169.04918	5.3
169.10100	0.5
171.11653	1.4
173.09547	1.0
173.13220	1.6
175.11191	0.6
175.14792	1.1
177.05479	0.3
177.09044	0.5
177.12656	0.3
183.11649	0.3
185.13176	1.2
187.05972	12.9
187.07652	0.4
187.14824	0.3
189.08961	0.4
189.12712	1.0
195.11595	0.3
197.13208	0.4
199.14735	0.4
201.12729	0.4
203.14384	0.3
203.17947	1.0
211.14818	0.3
215.14403	0.3
229.07016	18.6
247.08064	3.9
249.07507	0.5
267.08606	0.4
281.19067	0.3
287.05417	10.2
299.20129	2.8
300.20334	1.0
317.21143	2.7
317.24539	0.5
318.21280	1.8
335.22122	1.3
336.22488	0.5
533.23285	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15715	0.6
53.60212	0.5
55.05495	1.2
57.03428	4.4
57.07071	6.3
59.04998	9.3
59.62188	0.6
67.05497	27.8
69.03419	15.6
69.07050	1.4
69.35378	0.7
71.04976	17.7
75.25341	0.8
79.05480	3.4
81.03374	1.2
81.07044	6.1
82.00089	0.6
83.04960	3.6
83.08587	1.0
85.02885	0.7
85.06529	26.6
87.04447	4.9
91.05461	4.2
93.07028	5.4
95.04950	29.1
95.08588	3.1
100.47507	0.6
101.06008	0.7
105.07014	4.1
107.08589	5.6
109.10158	1.1
109.40067	0.6
113.05992	100.0
119.08556	4.2
121.10109	2.4
127.66449	0.7
129.06934	0.9
131.08514	4.8
133.10153	2.7
135.11569	0.7
143.08563	0.9
145.08586	20.8
145.09836	1.1
145.10187	1.1
147.11649	1.0
149.13341	0.6
157.10118	1.0
159.11618	0.7
175.07521	5.7
175.14774	4.3
192.86980	0.6
193.12224	1.1
199.14742	0.8
201.20482	0.7
267.15845	0.8
269.17441	1.0
345.72076	0.7
345.76501	0.7
353.21094	1.1
371.22137	29.6
461.28891	3.8
515.30127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.5
55.05500	8.2
61.27156	1.5
67.05484	9.2
69.07050	4.3
79.05454	4.3
81.07038	18.0
83.04942	6.3
83.08588	3.0
86.09673	1.8
91.05464	12.4
93.07029	23.4
95.04932	1.9
95.08590	47.1
97.06490	2.3
103.06818	1.4
104.10717	2.4
105.07005	21.7
107.08580	33.5
109.06518	2.0
109.10132	16.0
111.04427	1.9
117.06988	3.6
119.08556	49.2
120.57108	1.9
121.10129	20.6
123.08046	2.2
123.11681	2.0
124.99979	2.1
125.36346	1.7
129.06960	7.1
131.08563	17.2
133.10114	23.4
135.11685	9.8
137.06038	1.8
141.06944	2.2
142.07755	3.2
142.73167	1.7
143.08487	13.4
143.98193	1.8
145.10106	41.9
147.11676	13.9
149.13258	11.4
153.09009	2.9
155.08531	10.0
156.09328	15.1
157.10092	16.8
159.08003	3.2
159.11668	13.9
159.82104	1.6
161.09604	2.4
161.13242	12.1
163.07477	2.7
163.14735	18.2
165.09097	2.5
166.07562	1.8
169.10097	21.1
171.11636	21.6
173.09555	1.9
173.13214	10.7
175.11197	3.4
175.14780	10.0
177.16359	13.2
179.08563	2.1
179.10362	1.9
180.09212	2.4
181.10172	3.1
182.10666	2.1
183.11641	11.2
185.09708	2.3
185.13217	12.3
187.11154	7.1
187.14816	32.0
189.16364	43.9
191.17908	7.6
191.30249	1.9
193.10086	3.4
195.11604	7.9
197.13208	2.5
199.11182	3.4
199.14832	7.9
199.53635	2.1
201.12685	2.5
201.16380	13.9
203.18031	2.5
205.12222	3.9
207.11569	3.9
209.09601	3.6
211.14793	2.5
213.09099	2.3
213.12772	2.1
215.10655	9.6
217.12144	2.6
219.10048	3.4
221.13316	3.0
223.10994	2.0
225.08983	3.1
229.12247	3.3
235.16904	12.6
243.10114	2.6
259.13000	2.4
263.17975	2.9
289.19519	1.9
307.16824	3.9
337.17990	8.3
373.20078	4.3
403.26260	7.1
415.26160	3.4
431.25525	3.6
433.27252	22.5
449.26770	9.5
451.28323	16.8
461.27106	4.1
469.29401	100.0
479.27945	7.3
497.28891	15.4
515.29730	19.1
532.32550	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02355	0.6
53.00290	1.2
53.03930	4.5
53.64147	0.7
55.01849	4.8
55.05504	11.3
55.30417	0.8
57.02226	0.7
57.03428	18.7
57.07057	1.6
59.04979	3.4
60.08142	4.6
61.02908	3.8
61.36447	0.8
65.03908	1.4
66.31084	0.7
67.05493	32.9
69.03416	41.1
69.07056	18.3
71.01326	1.5
71.04965	1.2
71.07346	1.5
72.04507	0.8
73.02896	13.2
75.04453	0.9
79.05474	31.9
81.03419	7.3
81.07039	100.0
83.04958	1.5
83.08588	4.1
85.02890	41.4
86.09691	24.0
87.04453	20.0
91.05466	30.7
92.08836	3.8
93.07021	32.9
95.04924	5.8
95.08586	51.5
95.09201	2.0
97.02862	33.9
97.10103	1.3
98.98459	1.1
99.04417	1.5
101.65678	0.9
103.03947	1.3
104.10723	29.0
105.07013	74.8
107.04980	1.2
107.08578	37.9
109.02816	1.3
109.06521	3.6
109.10140	46.7
111.11708	1.6
115.03912	25.6
117.06977	3.8
119.06088	0.9
119.08565	55.0
121.06549	1.1
121.10125	24.1
123.07995	1.4
123.11668	10.6
125.00008	11.5
127.03883	5.5
131.08566	4.0
132.06503	1.0
133.04951	20.1
133.10109	27.1
134.10478	0.8
135.11682	9.3
141.96141	0.9
143.08548	1.0
145.04926	6.1
145.10109	7.1
147.11668	52.8
150.07602	6.4
157.10124	1.2
159.11667	1.6
161.13240	9.5
163.06131	1.1
163.99586	0.9
171.11653	1.1
173.13217	1.0
175.14821	4.6
184.07320	33.0
193.12253	1.2
201.16304	1.5
203.17934	31.0
214.68356	0.9
268.16296	0.9
318.40906	0.9
347.43207	1.1
507.57471	1.0
532.30408	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	532.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01552	0.2
51.02354	0.3
51.28428	0.2
53.03938	3.1
55.01861	0.7
55.05495	1.1
57.03426	4.6
59.04979	1.2
59.57956	0.2
59.58662	0.2
61.02901	0.3
62.36677	0.2
65.03921	0.8
67.05498	2.2
69.03413	8.1
69.07037	0.4
70.06573	0.3
71.04980	1.7
72.08177	0.2
73.02892	0.3
74.09699	1.0
75.04456	1.1
77.03912	0.5
79.05475	6.2
80.63079	0.2
81.03399	16.9
81.07020	1.2
83.04963	5.7
85.02887	10.8
85.06545	0.3
85.87958	0.2
91.05466	1.9
92.08910	0.8
92.09415	0.2
93.03374	1.0
93.07025	2.6
95.04945	7.0
97.02870	9.0
97.06507	5.2
99.04426	2.1
101.06020	1.7
103.03931	0.3
105.03373	100.0
105.07001	1.1
106.03699	0.9
107.04965	0.3
107.08552	0.4
109.02866	8.8
109.06491	0.4
109.10172	0.3
111.04427	8.3
119.04916	10.4
119.08521	0.2
121.02860	1.2
121.06485	1.7
121.10162	0.8
123.04405	10.5
125.05965	8.1
127.03896	5.5
129.05446	1.5
131.04887	0.2
133.06439	0.3
133.10161	0.4
137.05954	1.1
137.09583	0.2
143.07021	5.7
143.08231	0.2
143.08606	0.2
145.02890	0.2
145.04938	1.7
147.04353	0.3
147.07979	0.2
147.11667	0.3
149.05962	2.5
151.07483	0.3
157.09972	0.2
159.06494	2.6
163.06017	0.3
163.07475	0.9
167.06998	8.2
185.08058	1.6
199.09624	7.3
217.10695	8.7
217.12822	0.3
231.06503	1.0
249.07532	17.3
249.13153	3.9
267.08566	17.5
271.20535	0.3
287.05481	0.4
317.21201	0.2
353.49432	0.2
408.78745	0.3
500.13971	0.2
519.79779	0.3
523.82037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78156	0.2
51.05412	0.2
53.03940	3.2
54.50811	0.2
55.01860	0.2
55.05489	0.4
57.03423	1.2
57.30715	0.2
59.04985	0.2
61.02916	0.3
67.05485	0.9
69.03416	7.7
69.07058	3.0
71.04963	0.9
73.02899	0.4
74.09688	1.2
77.03910	0.4
78.67803	0.2
79.05476	5.1
81.03401	14.2
81.07047	1.4
83.04944	0.3
85.02890	10.4
91.05443	0.4
92.08636	0.6
92.09258	1.2
93.07034	1.3
95.04954	4.6
95.08584	0.5
97.02872	7.9
97.06495	0.2
99.04452	2.2
105.03374	100.0
105.07006	1.3
106.03719	0.5
107.08591	1.2
109.02863	8.3
109.06533	0.3
109.10130	0.9
111.08049	0.3
117.06992	0.3
119.08553	1.2
121.10108	1.2
123.04402	9.6
123.59878	0.3
125.09599	0.4
127.03890	5.5
131.08562	1.5
133.10104	0.5
137.09581	0.4
142.07722	0.2
145.04956	1.4
145.10103	0.4
147.11632	0.3
149.09579	0.2
154.29294	0.2
157.10068	0.3
159.11682	0.4
173.13229	1.1
213.11208	0.3
231.06487	1.2
249.07515	19.5
267.08582	19.7
299.20010	0.3
317.17422	0.4
317.20761	0.6
489.80075	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58282	0.3
51.02355	0.3
51.89524	0.3
52.66042	0.3
52.72247	0.2
53.03942	4.5
55.01862	1.3
55.05495	1.7
57.03429	4.1
59.04972	1.6
61.45400	0.2
65.03926	0.5
67.05493	2.9
69.03069	0.4
69.03417	8.7
69.07049	0.8
70.06580	0.6
71.04979	2.2
71.10593	0.3
73.02903	0.4
74.99365	0.3
75.04450	0.7
77.03902	0.4
79.05476	7.1
79.76350	0.3
81.03401	16.4
81.07063	2.7
83.04975	5.5
85.02888	12.4
85.06548	0.7
91.05451	3.7
92.09151	1.1
93.03383	0.5
93.07027	6.3
95.04948	9.2
95.08592	2.5
97.02870	8.9
97.06503	5.3
99.04440	2.6
101.06005	1.7
103.03967	0.4
105.03376	100.0
105.07024	3.0
106.03676	0.5
107.04919	0.6
107.08569	2.7
109.02868	9.3
109.06487	1.5
109.10142	2.3
111.04420	7.3
114.82223	0.3
117.07007	0.5
119.04917	10.7
119.08554	2.7
121.02856	1.4
121.06504	2.4
121.10117	2.4
121.47478	0.4
123.04410	9.1
123.08044	0.6
123.11676	0.4
125.05973	8.3
125.09611	0.7
127.03897	6.9
129.05476	1.4
131.08539	2.0
133.10130	2.2
135.08064	0.6
135.11659	0.4
137.05952	1.3
143.07008	5.0
143.08621	0.5
145.04977	1.2
145.07640	0.4
145.10110	1.8
147.11662	1.4
149.05969	3.6
149.09584	0.7
151.07536	0.5
157.10109	0.6
159.06483	2.9
159.11667	1.6
161.09653	0.7
163.07526	0.6
163.11162	0.4
167.07010	9.1
173.09668	0.4
173.13231	0.5
175.14828	0.4
179.07030	0.5
183.11826	0.3
185.08102	2.0
185.13225	0.3
187.11172	0.3
189.09068	0.5
199.09628	8.9
205.12366	0.4
217.10658	8.3
217.12531	0.4
220.65508	0.3
249.07533	16.3
249.13219	4.8
267.08588	16.2
299.19962	0.6
317.21109	2.1
483.18765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58282	0.3
51.02355	0.3
51.89524	0.3
52.66042	0.3
52.72247	0.2
53.03942	4.5
55.01862	1.3
55.05495	1.7
57.03429	4.1
59.04972	1.6
61.45400	0.2
65.03926	0.5
67.05493	2.9
69.03069	0.4
69.03417	8.7
69.07049	0.8
70.06580	0.6
71.04979	2.2
71.10593	0.3
73.02903	0.4
74.99365	0.3
75.04450	0.7
77.03902	0.4
79.05476	7.1
79.76350	0.3
81.03401	16.4
81.07063	2.7
83.04975	5.5
85.02888	12.4
85.06548	0.7
91.05451	3.7
92.09151	1.1
93.03383	0.5
93.07027	6.3
95.04948	9.2
95.08592	2.5
97.02870	8.9
97.06503	5.3
99.04440	2.6
101.06005	1.7
103.03967	0.4
105.03376	100.0
105.07024	3.0
106.03676	0.5
107.04919	0.6
107.08569	2.7
109.02868	9.3
109.06487	1.5
109.10142	2.3
111.04420	7.3
114.82223	0.3
117.07007	0.5
119.04917	10.7
119.08554	2.7
121.02856	1.4
121.06504	2.4
121.10117	2.4
121.47478	0.4
123.04410	9.1
123.08044	0.6
123.11676	0.4
125.05973	8.3
125.09611	0.7
127.03897	6.9
129.05476	1.4
131.08539	2.0
133.10130	2.2
135.08064	0.6
135.11659	0.4
137.05952	1.3
143.07008	5.0
143.08621	0.5
145.04977	1.2
145.07640	0.4
145.10110	1.8
147.11662	1.4
149.05969	3.6
149.09584	0.7
151.07536	0.5
157.10109	0.6
159.06483	2.9
159.11667	1.6
161.09653	0.7
163.07526	0.6
163.11162	0.4
167.07010	9.1
173.09668	0.4
173.13231	0.5
175.14828	0.4
179.07030	0.5
183.11826	0.3
185.08102	2.0
185.13225	0.3
187.11172	0.3
189.09068	0.5
199.09628	8.9
205.12366	0.4
217.10658	8.3
217.12531	0.4
220.65508	0.3
249.07533	16.3
249.13219	4.8
267.08588	16.2
299.19962	0.6
317.21109	2.1
483.18765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01861	1.9
55.05499	2.4
57.03431	5.0
59.04984	1.9
61.02918	0.6
61.63028	0.3
67.05494	2.9
69.03413	11.1
69.07047	1.8
70.77705	0.3
71.04971	2.4
73.02899	0.7
74.09706	0.6
75.04464	1.6
76.56459	0.5
77.03893	0.6
79.05479	8.6
81.02931	0.6
81.03401	15.4
81.07038	4.4
83.04971	7.3
85.02888	13.1
85.06528	2.2
91.05466	2.1
92.05812	0.4
93.03391	0.5
93.07025	4.5
95.04950	8.0
95.08580	2.4
97.02874	9.1
97.06516	5.0
99.04418	3.4
101.05994	2.7
105.03376	100.0
105.06982	3.2
107.08574	3.2
109.02862	9.0
109.06510	2.6
109.10146	2.6
111.04433	8.8
111.08062	0.5
117.03374	2.2
117.06954	0.5
117.88817	0.3
119.04916	4.0
119.08572	3.2
121.06464	2.0
121.10133	2.4
123.04424	10.5
123.08051	1.6
123.11681	0.5
125.05984	6.8
125.09651	0.4
127.03906	6.7
129.05466	2.2
131.04936	0.9
131.08548	1.7
133.06560	0.4
133.10138	2.0
135.08063	0.9
135.11673	0.4
137.05968	1.6
137.09589	0.5
140.98003	0.4
143.07033	5.3
143.08517	0.7
145.02840	4.0
145.04961	1.7
145.10123	2.6
146.03189	1.6
147.04506	0.5
147.11685	1.5
149.05946	0.9
149.09593	0.8
151.89128	0.4
157.10104	0.9
159.06566	3.3
159.07753	0.6
159.11665	1.9
161.09645	0.8
161.13211	0.5
163.03864	0.6
163.07516	0.4
164.04224	0.5
165.09071	0.4
167.07045	3.3
177.05470	3.7
178.05856	0.8
185.08093	0.9
185.13235	0.4
195.19991	0.4
199.09627	3.8
199.14876	0.4
217.10669	10.1
231.06480	0.6
249.07538	16.8
249.13184	5.2
252.77823	0.4
267.08594	17.5
299.20007	0.9
317.21207	0.8
520.95288	0.4
531.24127	0.5
532.24384	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
53.03938	3.4
55.01866	0.5
55.05492	1.0
57.02805	0.2
57.03172	0.3
57.03429	4.5
59.04979	1.5
61.02921	0.3
65.03914	0.4
67.05492	2.6
67.34637	0.2
69.03412	8.4
69.07043	0.3
70.06559	0.5
71.01311	0.2
71.04975	0.9
72.08142	0.3
73.02890	0.3
73.11970	0.2
74.09711	2.1
75.04453	1.1
77.03940	0.5
78.33464	0.2
79.05474	6.8
80.29402	0.2
81.02925	0.5
81.03398	14.6
81.07043	0.5
83.04965	5.7
85.02887	11.2
88.22480	0.2
91.05454	2.1
92.09200	0.3
93.03378	1.3
93.07011	1.5
95.04391	0.4
95.04942	6.7
95.08575	0.9
97.02869	10.0
97.06505	5.1
97.09319	0.2
99.04416	2.0
101.05980	1.6
103.03846	0.3
103.05460	0.3
105.03371	100.0
105.07018	1.0
106.03696	0.3
107.08569	0.8
109.02866	9.5
109.06490	1.0
109.10122	0.4
111.04422	8.6
119.04919	11.4
119.08544	0.5
121.02847	0.5
121.06478	2.1
121.10101	0.3
123.04405	9.7
125.05969	8.3
127.03889	5.4
129.05426	1.9
135.08034	0.2
135.11620	0.3
137.05977	1.3
143.07019	6.5
145.04970	1.3
145.10078	0.3
147.04387	0.5
147.11636	0.4
149.05930	3.4
151.07509	0.4
159.06496	3.2
163.07472	0.4
165.09106	0.3
167.06993	8.8
177.05415	0.4
185.07953	1.7
198.81880	0.2
199.09627	8.0
207.48601	0.2
217.09091	0.2
217.10658	8.8
231.06525	0.9
249.07520	16.1
249.13194	4.2
267.08572	17.8
300.39432	0.2
386.23990	0.2
467.70306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2927
Annotation	Leu Asn Arg Glu
Peak:m/z	Relative Intensity
51.08558	0.8
51.58269	0.8
54.81827	0.8
55.05506	3.9
57.03418	0.9
67.05487	6.8
69.07043	2.1
70.52986	0.8
71.83246	0.9
79.05468	6.0
81.03384	2.0
81.07041	10.0
83.04979	4.5
83.08590	1.7
85.95064	0.9
91.05450	4.4
93.07018	8.4
94.87983	1.0
95.04926	1.7
95.08573	8.4
105.07012	7.7
107.08571	6.0
109.10153	5.3
119.08538	5.4
121.10133	6.1
129.07024	1.1
131.08548	1.3
133.10094	4.4
135.11688	3.8
143.08499	1.3
145.10081	4.1
147.11710	1.3
157.10109	2.3
159.11662	4.1
160.12016	1.3
161.13232	1.7
163.11171	1.0
173.13237	4.5
187.14742	1.2
189.16403	1.7
201.84200	0.9
213.16420	1.0
219.90178	0.9
247.13048	6.3
251.12308	1.4
257.10870	1.1
273.11719	1.1
303.15674	3.7
307.15051	2.0
423.77448	1.0
436.33151	1.0
453.33865	3.5
454.33902	3.4
495.30154	1.2
496.28806	1.2
513.31885	3.8
531.29150	100.0
532.30035	1.5
545.98846	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2562
Annotation	Roridin D
Peak:m/z	Relative Intensity
52.70535	1.1
55.01861	1.5
55.05505	2.9
57.03419	1.5
67.05493	6.3
71.92986	1.3
76.55881	1.3
79.05475	5.6
81.03397	3.1
81.07027	6.5
82.07384	1.5
83.04951	2.1
83.08581	2.0
91.05448	2.4
92.08980	12.7
93.07027	5.9
95.08587	5.0
105.07009	3.0
107.04928	1.4
107.08602	5.0
109.06499	1.9
109.10123	1.3
117.06978	1.8
119.08524	2.4
121.10097	1.9
133.10117	1.8
135.11674	1.3
145.10130	3.0
159.93600	1.5
161.13249	1.3
163.11116	3.1
172.62321	1.5
175.04373	1.5
249.10930	4.9
305.13580	9.0
324.71448	1.3
370.24725	1.3
383.01782	1.4
531.25500	100.0
531.32196	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	531.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
57.03417	0.4
64.08212	0.3
64.34180	0.4
66.18263	0.3
67.08881	0.5
69.07056	0.8
74.02406	0.8
81.03395	0.4
85.02888	1.0
88.54312	0.4
97.02847	0.4
98.97618	0.4
110.07140	0.6
115.05458	0.9
117.07036	1.4
118.06514	23.2
119.06863	0.4
127.11161	0.8
129.63156	0.4
130.06494	2.0
130.59457	0.4
132.08067	8.3
137.05949	5.0
138.06285	1.0
141.68810	0.4
142.06532	3.0
143.07278	2.7
144.08067	15.7
145.02791	0.9
145.08470	0.8
145.12195	0.5
146.05986	90.2
147.06337	3.3
157.56502	0.4
159.09140	8.1
160.07561	0.8
167.06987	4.8
168.07347	1.0
170.05965	5.6
175.58635	0.4
177.05443	2.3
188.07031	100.0
189.07332	4.4
205.09689	28.0
206.09981	0.7
210.99020	0.4
231.12685	0.5
375.19421	0.4
381.06140	0.5
413.31415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	18.9
57.03426	18.4
57.07071	43.1
60.93114	3.3
63.84431	2.6
67.05494	27.5
69.00186	3.4
69.07045	16.2
71.04972	5.8
71.08627	31.7
79.05460	21.5
81.07050	84.7
83.08605	12.0
85.10181	8.2
87.04455	22.4
91.05446	15.5
93.07018	18.9
95.08578	38.6
97.06519	3.3
97.10112	3.6
105.07015	30.6
107.08590	8.1
109.10143	16.0
119.08578	18.5
121.10093	12.7
122.33260	3.1
123.11686	4.4
133.75800	2.9
147.11671	31.0
165.12712	31.1
167.77155	3.4
220.12836	3.2
239.16362	36.6
281.09027	4.2
283.26221	5.5
313.27316	100.0
389.55017	3.4
477.39221	17.5
497.45682	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	530.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	2.0
53.03926	1.7
55.01861	8.8
55.05508	15.7
57.03417	6.9
57.07061	6.9
61.02906	11.1
62.56142	1.5
65.03924	2.7
65.17075	1.5
67.05493	100.0
67.25696	1.4
68.69619	1.5
69.07057	14.3
71.13465	1.3
73.02891	2.7
74.12585	1.5
75.04451	2.1
79.05473	49.3
81.03419	2.3
81.07045	66.3
83.04965	3.0
83.08625	2.3
85.02879	9.6
85.06535	3.6
91.05465	59.8
92.08980	3.8
93.07018	64.0
95.04947	4.0
95.08582	49.5
97.02857	2.3
97.06505	6.7
97.10118	1.7
105.07012	52.3
107.08581	39.1
109.06521	2.3
109.10151	34.7
117.07006	20.4
119.08564	54.0
121.06496	2.2
121.10113	37.4
123.08105	2.0
123.11705	9.3
126.00745	1.8
129.05438	3.9
129.06944	17.3
131.08546	45.1
133.10109	39.5
135.08095	12.8
135.11659	20.2
137.09615	9.8
142.07739	2.1
143.08583	16.4
145.10107	23.5
147.07993	2.9
147.11687	25.3
149.09637	23.5
149.13235	11.1
151.11159	4.0
155.08696	2.0
157.10110	19.9
159.11678	16.1
161.09576	3.1
161.13213	13.8
163.11206	6.6
163.14833	2.3
171.11676	24.2
173.13214	14.1
175.11172	3.8
175.14798	21.0
185.13245	15.2
187.14822	4.2
189.12814	1.9
199.14804	10.9
213.16455	3.8
215.18063	3.1
217.19508	7.8
223.13289	3.8
231.17336	4.0
231.21097	3.6
241.19452	42.8
259.20523	34.8
277.21625	3.7
301.11072	2.1
329.21277	1.9
333.24200	10.6
351.25183	9.3
383.54218	1.8
495.29089	2.4
530.25574	2.9
545.64667	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01860	6.8
55.05508	49.4
57.03420	24.6
57.07064	3.9
59.04979	3.0
67.05493	100.0
69.07048	26.4
71.04974	3.8
79.05474	47.9
81.03391	16.1
81.07040	78.5
83.04950	11.4
83.08607	20.0
85.02874	4.6
85.06523	3.8
85.23354	2.4
89.73555	2.3
91.05461	37.7
92.08981	18.6
92.64303	3.0
93.07018	53.6
94.26162	2.8
95.04943	11.1
95.08588	24.4
97.06521	5.2
97.10149	15.0
105.07020	16.6
107.04940	4.3
107.08570	31.4
109.06518	4.6
109.10143	40.0
111.08087	4.5
114.37514	3.5
117.07015	13.4
119.08577	15.0
119.27579	2.9
121.10123	13.5
125.09552	8.6
129.05469	4.5
131.08554	12.6
133.10155	4.7
135.11674	10.7
139.00256	2.6
145.10136	4.4
149.09633	4.5
149.13193	5.8
153.50031	2.8
157.10242	3.0
159.11749	3.9
163.11081	6.6
173.11774	5.0
195.13828	12.3
229.14325	18.7
256.26096	3.9
269.17413	36.9
301.16495	3.9
365.03888	3.1
423.27136	11.3
495.29297	21.5
513.30298	17.1
529.38550	4.4
530.38855	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	530.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.8
53.03926	2.6
55.01865	5.2
55.05501	28.8
57.03142	1.1
57.03425	31.0
57.52200	0.6
59.04984	1.3
60.02385	0.6
65.03927	1.1
67.05489	37.5
69.03413	6.2
69.07054	11.1
71.04970	7.0
79.04993	0.7
79.05473	44.6
81.03397	100.0
81.07034	51.8
83.04459	0.8
83.04962	32.6
83.08599	34.3
84.42593	0.6
85.02888	50.8
85.06536	4.5
91.05457	62.9
92.08974	1.5
93.07022	31.6
95.04945	44.7
95.08582	20.0
97.02864	4.7
97.06512	7.0
97.10152	7.6
99.04424	1.0
99.08067	2.7
100.10862	0.6
105.07010	41.6
107.04933	13.5
107.08560	11.6
109.06500	10.1
109.10142	4.2
111.04404	3.6
111.08065	12.8
113.05981	3.7
115.05426	1.4
117.06995	3.2
119.04924	0.8
119.08560	34.7
121.06479	3.1
121.10126	15.7
123.08054	4.1
123.11679	1.0
125.09599	1.3
127.07547	0.8
128.06198	0.9
128.10725	0.6
129.06975	21.0
129.07918	0.8
131.08537	18.7
131.09453	1.3
133.06442	5.0
133.10085	17.1
135.07965	0.8
137.09622	3.4
142.07748	7.4
145.10109	3.3
147.08035	4.8
147.11659	25.2
149.09602	8.8
157.10095	22.1
163.11174	1.2
165.12740	3.9
175.11154	21.4
193.12201	58.0
211.13249	72.1
267.15872	21.8
285.16888	75.1
385.23526	1.4
459.27350	7.9
477.28391	12.1
495.29431	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	530.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01867	6.2
55.05496	25.6
57.03423	21.7
57.07042	2.0
61.52871	1.6
65.03937	1.9
67.05489	46.6
69.03418	3.2
69.07049	24.2
71.04974	9.4
79.05475	40.3
81.03397	57.6
81.07036	100.0
83.04972	22.3
83.08598	26.0
85.02887	24.0
85.06523	6.7
87.17348	1.4
91.05460	56.4
91.05998	3.0
93.06479	2.4
93.07020	36.4
95.04945	26.9
95.08588	38.6
97.02862	1.5
97.06519	10.8
97.10143	2.5
99.08073	3.4
105.07011	58.3
107.04916	7.1
107.08578	38.7
109.06500	10.7
109.10120	14.4
111.08070	14.8
119.08556	66.3
121.10107	32.9
121.38225	1.6
123.08037	6.3
123.11681	27.3
125.09602	9.0
129.06993	12.9
131.08562	20.6
133.06332	1.6
133.10103	26.2
135.08064	1.6
135.11670	7.9
141.09149	1.5
142.07790	2.5
145.10072	13.9
147.07957	1.8
147.11655	70.8
149.09587	7.0
157.10097	16.4
159.11649	10.8
161.13283	3.5
165.12718	23.3
175.11142	18.9
175.14760	2.5
179.31697	1.5
183.11723	1.8
185.13283	2.1
187.14865	10.9
189.16371	9.6
191.17955	2.4
191.39746	1.9
193.12184	37.5
199.14725	2.0
201.16327	17.0
203.17828	2.6
211.13240	41.2
213.16370	3.5
215.17941	7.8
219.17476	3.2
267.15869	47.2
285.16919	83.0
407.32852	8.3
423.31958	1.7
435.32483	3.9
453.33643	12.6
477.27707	10.8
495.29407	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	530.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53814	0.8
53.00287	1.3
53.03934	5.1
55.01855	6.1
55.05504	30.6
56.96548	1.8
57.03426	32.9
57.07060	1.1
59.04976	1.0
61.02910	1.0
65.03925	1.1
67.05146	1.5
67.05493	37.9
69.03412	9.2
69.07052	14.8
71.04978	10.7
73.25475	0.8
79.05473	48.0
80.05803	1.5
81.03399	100.0
81.07037	52.8
83.04964	30.4
83.08604	33.9
85.02886	48.1
85.06557	6.8
87.04421	1.4
91.05460	62.9
92.05795	1.2
92.09011	2.0
93.07021	35.0
94.07342	2.2
95.04945	46.7
95.08580	24.8
96.08903	1.3
97.02858	5.1
97.06512	8.2
97.10169	8.4
99.04427	1.3
99.08058	1.3
105.07011	43.8
106.07342	0.9
107.04923	11.7
107.08567	19.9
109.06488	11.5
109.10117	5.7
111.04416	3.6
111.08064	17.8
113.05970	5.3
115.05380	1.1
117.06953	7.0
118.07302	1.2
119.04906	1.0
119.07706	1.6
119.08558	36.5
120.08855	1.1
121.05613	0.9
121.06474	4.9
121.10105	21.4
123.08037	7.7
123.11623	1.8
125.09597	2.2
129.06973	19.1
131.08548	23.4
132.08865	1.0
133.06474	5.5
133.10098	22.3
134.10507	1.0
135.08003	2.2
135.11627	1.7
135.31067	0.8
137.09578	5.0
142.07742	5.0
143.94897	1.1
145.10117	5.8
147.07999	4.5
147.11658	25.9
149.09592	9.9
151.11195	1.6
157.10104	19.2
165.12698	4.5
175.11154	18.4
193.12206	59.5
197.01213	6.8
198.01555	1.1
211.13251	62.0
215.02242	4.8
219.17442	16.1
220.17685	10.3
224.03291	1.1
267.15842	18.1
275.20041	1.4
277.05371	0.9
285.16901	64.8
292.86157	1.0
349.23706	13.2
350.24026	18.2
459.27396	9.9
477.28320	17.3
495.29401	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44791	0.2
53.00279	0.2
53.03922	0.4
55.01864	0.4
55.05497	0.5
57.03430	0.7
57.90929	0.2
59.04984	0.4
60.32396	0.2
61.02911	1.1
65.42426	0.3
66.04696	0.3
67.05496	1.5
69.03410	2.8
69.07048	1.0
70.06563	3.0
71.04984	1.6
73.02919	0.4
78.04685	1.6
79.05437	2.0
81.03410	1.7
81.07031	2.9
83.04984	0.5
83.08615	0.6
84.04472	0.3
84.08130	0.4
85.02885	7.7
85.06506	2.5
87.04457	1.3
91.03947	0.3
91.05457	1.5
93.03337	0.3
93.07021	2.2
94.04154	0.6
95.04950	1.0
95.08559	1.5
97.02865	3.1
97.06490	1.1
98.97536	0.3
99.04459	0.5
103.05463	2.9
104.72634	0.3
105.03352	0.6
105.06998	2.0
106.04143	0.3
107.04937	0.5
107.08591	2.3
109.02860	1.5
109.06507	2.0
109.10154	1.7
111.04398	0.4
111.08065	1.2
112.07605	1.7
115.05471	0.3
119.04923	1.7
121.06474	1.1
122.03597	4.7
123.04397	4.4
123.08032	0.5
124.05166	1.6
124.07586	0.3
125.05981	0.3
125.09605	0.6
127.03870	2.1
127.07542	0.4
127.08529	0.3
127.11153	0.4
128.93369	0.3
129.09091	0.6
131.04893	6.4
133.06487	1.9
134.03642	0.4
135.04373	0.3
135.08067	0.6
135.11607	0.4
135.15227	0.3
136.07533	1.3
137.05945	100.0
140.07050	1.1
143.08516	0.4
145.04942	1.5
147.04359	3.0
148.04820	0.4
148.52686	0.3
149.05960	2.3
151.03857	0.4
151.07545	0.6
152.04625	1.6
153.05563	0.3
153.07019	0.4
153.09097	0.6
153.12685	1.2
155.07040	0.3
161.05933	2.2
163.03882	0.6
163.06485	0.4
163.07500	14.9
167.06990	92.8
168.07307	0.4
169.12108	0.3
171.10120	1.7
171.13780	0.4
179.07036	0.6
181.06424	0.5
183.07956	0.7
187.25905	0.3
189.09106	1.4
189.11111	0.3
193.08636	2.2
195.08052	0.4
206.08078	1.9
211.07565	0.6
223.07399	0.4
225.08946	0.4
243.10349	0.3
253.08551	0.6
255.09947	0.7
273.10992	0.4
283.09647	2.4
285.10818	0.4
306.86676	0.3
315.12103	1.8
350.93161	0.3
351.14047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01863	0.5
56.35672	0.3
57.03436	0.4
58.52094	0.3
61.02914	0.7
63.06427	0.3
64.32986	0.3
69.03417	1.9
70.83810	0.3
71.04963	0.4
74.71487	0.3
78.04704	0.7
79.05480	0.5
81.03410	0.7
81.07039	0.7
83.06101	0.5
85.02887	5.7
87.04446	0.3
91.05465	2.2
92.09125	0.6
93.04521	0.3
93.07068	0.5
94.04162	1.3
95.04929	0.5
97.02874	1.7
99.04421	0.6
103.05473	1.6
106.04151	0.5
107.04945	0.6
107.08575	0.4
110.07154	4.7
111.04449	0.5
119.04940	1.5
120.08064	0.7
121.06460	0.7
122.03619	4.0
123.04411	4.4
124.05175	0.5
127.03898	0.6
131.04938	2.6
133.90497	0.3
134.03662	0.5
135.04395	0.3
137.05957	98.7
138.06310	0.4
145.02951	0.3
145.04968	0.4
147.04491	0.5
149.05986	0.8
151.03868	0.7
151.07512	3.3
152.04648	1.3
153.05472	1.9
153.06952	0.7
155.08524	0.7
161.05957	1.4
163.03862	1.3
163.07504	1.6
165.06995	3.6
167.07005	100.0
168.05632	1.4
168.07272	0.4
171.10168	0.6
179.07040	0.7
180.08630	0.5
181.06418	0.6
182.07262	0.7
183.07997	7.0
193.06287	0.4
196.05150	0.5
207.04378	1.5
210.06673	0.5
211.07518	6.1
212.08293	0.4
213.05457	0.8
215.10712	0.7
221.05876	0.6
223.07396	0.4
225.08975	0.5
228.07748	0.4
237.09109	0.4
239.06967	2.0
243.10112	4.4
249.15897	0.3
255.09959	0.8
256.07516	0.6
271.09595	6.1
272.10345	0.7
283.09592	1.7
288.09799	1.3
303.12213	15.5
315.12152	4.8
333.13290	4.1
394.23865	0.3
415.47614	0.3
440.21863	0.4
452.38089	0.3
502.20361	0.4
530.20154	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01874	0.3
55.03920	0.2
67.05489	0.3
69.03417	0.6
78.04702	1.1
79.05501	0.9
80.19770	0.2
81.03397	0.3
81.07048	0.5
83.04964	0.3
85.02907	3.2
86.09736	0.2
91.05454	1.6
92.09042	1.1
94.04181	1.2
95.04943	1.1
97.02861	1.1
99.04431	0.6
103.05444	0.3
106.04181	0.4
107.04916	0.5
109.06503	0.6
110.07162	1.0
111.04430	0.4
113.83816	0.3
116.86427	0.2
119.04924	1.3
120.08073	1.7
121.06488	0.6
121.08392	0.4
122.03631	4.0
123.04405	3.2
124.05177	1.4
125.09602	0.3
127.03891	0.3
131.04904	1.7
134.03639	0.4
135.08031	0.3
136.87381	0.3
137.05956	100.0
138.06268	0.4
140.51437	0.3
147.04373	1.2
149.05997	1.0
151.03912	0.9
151.07500	2.2
152.04642	1.4
153.05421	0.6
153.07004	0.6
155.08577	0.5
161.05972	1.3
163.03891	1.0
163.07506	1.1
165.05551	0.4
165.06960	2.1
167.07001	99.8
168.07327	0.4
178.77924	0.3
179.06967	0.6
183.08002	3.2
191.55891	0.2
193.06409	0.4
195.08008	0.3
196.05101	1.0
197.70667	0.3
200.08293	0.3
207.04442	0.6
211.07504	3.5
213.05254	0.3
221.05923	0.4
223.07469	0.5
225.09050	0.5
239.06920	1.2
243.10191	2.6
251.06825	0.3
254.09152	0.3
255.10091	0.5
271.09656	4.3
272.10513	0.4
283.09543	1.3
288.09818	1.3
303.12216	9.7
315.12222	5.7
333.13275	4.6
530.20544	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14340	0.6
53.03934	6.9
55.01866	11.9
55.05508	12.0
56.37337	0.7
57.03419	8.3
61.02921	1.3
67.05493	30.7
67.14010	0.8
69.03431	1.7
69.07058	27.2
69.94437	0.9
71.04989	3.0
73.02903	1.4
79.05476	27.1
81.03393	17.3
81.07040	40.8
83.04965	6.5
83.08597	5.9
85.02896	3.7
86.00494	0.8
91.05461	34.0
92.08886	2.8
93.07020	27.6
95.01308	11.9
95.04945	14.1
95.08583	25.9
97.06523	13.2
97.10120	1.0
105.03355	1.0
105.07015	49.6
107.04941	17.2
107.08572	15.7
109.06516	7.2
109.10144	6.1
111.08087	1.6
117.06995	15.6
119.08562	28.1
121.06433	2.0
121.10128	5.8
123.04414	2.0
123.08038	6.5
123.11671	0.8
125.09608	1.4
131.08533	15.2
133.10101	26.5
135.08003	1.4
135.11674	7.1
143.08539	3.4
144.09348	1.0
145.06483	4.4
145.10103	11.3
147.08192	0.8
147.11693	8.7
149.09612	2.1
149.13228	3.6
151.11224	1.5
157.10138	1.6
158.15541	0.9
159.11678	10.1
161.13188	1.8
163.11122	2.0
169.10167	3.2
171.11723	0.9
173.13275	1.1
177.12787	2.0
179.14291	10.3
187.11179	3.2
219.91026	1.1
237.25717	0.9
257.19025	2.0
268.73535	0.9
275.20004	28.9
283.15359	0.9
293.20773	1.2
318.73734	1.0
349.23669	100.0
350.23941	1.1
359.75827	0.8
483.54105	0.9
493.27460	1.0
511.28952	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.5
53.03928	2.3
55.01849	1.2
55.05500	21.5
56.09081	1.1
57.03429	11.3
57.07064	5.3
59.96040	1.2
67.05490	91.5
67.05853	3.0
69.03418	1.3
69.07047	15.0
70.64438	1.1
71.01348	2.0
71.04974	1.5
72.43185	1.2
73.02885	2.9
75.04507	1.4
79.05476	47.0
81.03397	1.4
81.07035	100.0
83.04932	2.1
83.08598	8.7
85.02883	8.0
85.06532	2.8
91.05457	24.6
92.08818	4.9
92.09330	1.5
93.07021	66.2
95.01288	5.5
95.04926	2.6
95.08581	81.9
97.06531	1.5
97.10155	2.9
105.07006	28.5
107.08572	45.6
109.06488	3.1
109.10135	42.7
111.08071	2.2
113.02361	1.7
113.09584	1.3
117.06986	13.9
119.08541	27.4
121.10117	40.3
123.11684	15.4
125.09591	2.2
129.06973	2.0
131.08534	26.5
133.10092	22.5
135.08073	1.3
135.11662	29.9
137.13223	3.0
141.01822	9.4
142.07753	1.2
143.08569	6.3
145.10100	27.5
147.11673	13.6
149.09581	2.7
149.13226	19.9
153.09119	1.2
157.10123	3.0
159.07990	1.8
159.11693	16.6
161.09566	1.5
161.13229	8.8
163.14801	11.1
169.10059	2.2
171.11635	2.3
173.13200	16.9
175.14774	8.1
177.16321	5.8
177.56581	1.4
183.11581	1.6
185.13199	2.3
187.14821	11.9
189.16336	5.6
191.14171	1.3
199.14958	2.3
201.16449	1.5
243.21028	17.7
256.26382	1.5
261.22067	62.5
277.51740	1.6
279.23123	1.7
335.25748	20.8
353.26779	42.2
405.31339	2.0
423.32651	2.3
425.30466	1.6
451.31897	9.8
469.26599	2.4
469.32974	41.4
529.26813	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	2.8
68.05785	0.3
69.03418	0.7
70.06571	0.6
71.04980	4.9
74.02415	0.5
81.07046	0.4
85.02872	1.5
85.06509	1.8
91.05446	0.7
92.08626	0.6
92.09248	1.6
105.03386	0.4
109.10166	2.6
110.07182	0.5
111.04382	0.3
115.05449	0.5
117.05701	0.3
117.06988	0.5
118.06516	20.3
119.04958	0.3
119.96273	0.3
122.85898	0.4
127.11168	12.5
130.06506	2.6
132.08052	6.2
137.05939	2.1
142.06514	1.5
143.07268	2.0
143.33580	0.4
144.04437	0.7
144.08066	17.5
145.12209	5.6
146.05984	83.2
147.04425	0.6
147.06328	0.7
159.09155	8.1
160.07535	1.7
163.13252	4.9
167.06992	1.9
170.05975	6.9
176.93642	0.5
188.07028	100.0
189.07343	1.8
205.09691	26.7
493.73160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03661	0.2
54.81843	0.3
56.05013	1.9
61.85852	0.2
67.05480	0.4
69.03408	2.8
69.04523	0.3
70.06566	0.5
74.06049	2.2
79.05454	0.7
81.03380	0.4
81.04519	1.6
81.07042	1.2
82.05279	0.5
83.04979	0.6
83.05602	0.6
83.06089	13.4
84.04490	1.5
84.08102	0.4
85.02906	2.5
89.03896	0.5
91.05437	1.6
91.95924	0.3
93.04505	9.0
93.07005	0.6
95.04970	0.4
95.06084	5.5
97.02869	0.6
98.09612	0.3
99.04441	0.3
103.05500	0.3
105.03351	0.4
105.06999	0.4
107.04967	0.4
107.08572	0.5
109.02848	0.4
109.06427	0.5
110.02410	0.4
110.07149	100.0
111.04424	0.4
111.05556	1.7
117.03337	1.2
119.04937	2.8
120.05582	0.5
120.08087	4.6
121.02909	0.3
121.03893	0.4
121.06481	0.6
121.08390	1.1
122.07099	1.2
123.04388	0.6
129.05431	0.3
133.10091	0.4
134.06041	0.6
135.04385	2.7
135.06767	0.4
136.04929	0.5
136.07552	1.5
137.06004	0.5
137.07021	0.5
138.06590	0.3
144.08109	0.4
145.02817	1.6
146.03070	0.3
146.05963	0.4
147.04385	7.8
148.08632	0.4
150.06601	0.3
156.07652	1.9
156.22847	0.3
160.07568	0.6
163.03870	9.5
164.04221	1.2
166.09726	0.6
167.09251	0.3
169.12251	0.6
172.07541	1.6
177.07750	0.3
188.07019	0.6
193.10818	0.3
200.07013	0.5
203.08192	1.3
211.11833	0.4
217.09735	1.4
228.11314	1.2
230.12848	3.0
234.98964	1.0
249.08624	0.5
249.15691	0.4
252.97781	0.5
253.98219	0.3
263.05203	0.4
273.02768	0.4
318.14627	0.5
409.01602	0.5
439.20438	0.4
455.20111	0.4
457.21896	1.4
480.96152	0.4
483.19504	2.5
485.17816	1.2
501.20746	5.0
511.19635	2.7
529.20337	22.3
530.20306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88385	2.8
55.01871	3.7
55.05507	30.7
57.03430	38.8
57.07074	58.6
65.17137	3.1
67.05498	62.5
67.79330	3.2
69.07067	25.1
71.04974	6.9
71.08627	29.9
79.05477	50.9
81.03390	3.6
81.07043	40.0
83.04954	14.5
83.08603	13.5
85.10167	20.8
89.06009	5.4
89.82188	3.3
91.05474	9.0
92.09130	3.7
93.07027	61.1
95.04940	4.0
95.08581	36.6
97.06520	15.1
97.10149	20.6
105.36251	3.6
107.08567	40.2
109.10146	14.9
113.74699	3.6
121.10106	6.1
135.11688	55.8
145.10101	5.9
153.12749	3.6
155.17117	3.5
181.12271	5.1
255.15884	100.0
283.26276	4.5
313.27246	84.3
354.89862	4.1
493.38791	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01860	9.7
55.05504	37.1
57.03174	2.2
57.03431	33.6
57.07072	2.0
59.04983	1.7
60.30443	1.3
67.05493	59.5
69.03412	8.3
69.07061	15.6
71.04980	11.1
73.02876	2.1
79.05474	70.2
81.03401	68.2
81.07039	71.3
83.04972	27.2
83.08602	36.7
85.02888	43.7
85.03370	2.8
85.06522	6.1
91.05463	58.9
93.07022	83.0
95.04947	41.1
95.08588	81.5
97.02892	13.6
97.05973	1.3
97.06503	12.8
97.10159	5.9
99.04429	10.1
103.05483	2.1
105.03395	10.0
105.04514	1.7
105.07018	45.5
107.04933	25.2
107.08581	62.2
109.06525	12.3
109.07191	1.5
109.10146	10.0
111.04439	3.5
111.08057	11.3
111.84393	1.4
113.06010	7.5
115.05466	2.9
117.07002	21.4
119.08562	41.3
119.90804	1.5
121.06483	13.5
121.10117	32.2
123.08064	6.1
123.11642	1.8
125.06030	2.8
125.09650	1.6
127.03899	2.4
128.06201	2.4
129.06972	19.8
131.08528	17.3
133.06445	3.1
133.10109	22.1
135.08041	2.3
135.11673	75.4
137.09615	2.3
139.07480	2.1
143.08562	2.3
145.10103	57.1
147.08052	2.1
147.11699	16.4
149.09622	9.6
151.11174	2.2
155.08553	2.2
157.10120	20.3
163.11154	100.0
165.12691	1.8
175.11151	18.6
181.12201	16.1
193.12193	33.1
209.11601	3.0
211.13252	45.7
225.72371	1.5
227.12752	86.6
267.15857	24.7
283.15356	59.8
285.16898	77.4
321.79416	1.6
475.26666	23.7
493.27878	90.0
533.73413	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.1
55.01852	16.5
55.05502	29.4
57.03421	21.2
59.04956	3.2
67.05492	37.1
68.18288	2.6
69.03406	16.4
69.07049	11.6
70.21726	3.0
71.04948	9.8
72.92351	2.8
74.64260	3.0
79.05470	39.7
81.03391	84.4
81.07031	43.2
81.70587	2.8
83.01362	2.5
83.04568	2.7
83.04972	36.9
83.08588	21.0
83.46307	2.9
85.02882	30.6
85.06524	3.0
91.05455	41.6
93.07030	44.3
95.04969	29.9
95.08594	24.1
95.41942	2.9
97.02881	21.7
97.06509	10.7
97.10164	4.0
99.04432	6.4
105.03372	100.0
105.06990	27.6
107.04937	6.3
107.08562	28.6
109.02854	5.5
109.06490	14.8
109.10136	13.6
111.04433	36.0
111.08036	14.8
117.06981	12.3
118.22050	3.5
119.08566	28.3
121.06497	3.5
121.10141	22.0
123.04435	3.9
123.08003	3.7
127.03913	6.3
127.07367	3.4
129.07033	5.7
131.08536	20.5
133.10123	19.3
135.11685	23.0
143.08449	3.2
145.04854	3.5
145.10106	21.1
147.08000	5.1
147.11646	21.4
149.09596	6.6
153.12729	12.3
157.10118	13.4
159.11656	3.5
163.11121	38.7
175.11107	7.0
181.12175	17.0
191.10509	4.9
193.12158	22.3
211.13223	21.7
227.12692	14.7
249.07527	21.0
267.08554	6.2
267.15753	29.3
283.15353	42.8
285.16940	14.9
297.89761	2.8
301.16254	12.1
400.97318	3.1
475.26743	12.1
493.27866	81.3
511.29056	4.0
527.33258	28.8
528.26483	10.5
528.33453	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49141	1.3
53.03923	2.5
53.76125	1.2
55.01670	1.2
55.01868	22.2
55.05501	55.6
57.03424	45.0
57.07038	2.1
59.04980	7.3
67.05486	41.6
69.03403	8.4
69.07056	15.0
71.01336	2.1
71.04972	15.0
79.05003	1.6
79.05471	63.4
81.03396	100.0
81.07031	61.4
81.51774	1.4
83.01314	18.7
83.04517	2.6
83.04962	46.1
83.08596	49.8
85.02885	41.2
85.06528	2.4
87.67805	1.2
91.05457	62.1
92.08768	6.1
93.07016	67.4
95.04391	2.6
95.04943	39.1
95.05515	2.6
95.08578	28.7
97.02863	6.1
97.06499	13.2
97.10122	9.1
99.04411	3.4
99.08070	1.8
105.03364	2.7
105.07012	43.7
106.45779	1.4
107.04922	18.2
107.08566	27.5
109.06493	17.4
109.10160	6.0
111.04414	3.3
111.08054	10.5
113.05997	2.5
115.05420	1.9
117.07018	10.8
119.08546	40.5
121.06481	8.7
121.10102	22.5
123.08068	14.7
123.11718	2.4
125.05962	2.2
125.09599	3.3
129.06973	16.3
131.08549	19.1
133.06493	3.0
133.10089	18.8
133.48851	1.5
135.08000	5.9
135.11681	14.3
137.09607	5.7
143.08560	2.3
145.10086	29.1
147.08008	8.9
147.11670	20.7
149.09586	6.8
151.20114	1.5
153.12700	2.7
157.10085	15.9
163.11125	33.9
165.12679	2.7
173.09550	5.9
175.11136	16.8
181.12251	2.6
193.12213	35.9
209.11742	9.0
211.13248	58.5
249.14801	1.5
267.15909	15.9
283.15329	99.3
285.16864	49.7
475.26755	15.7
493.27856	85.2
527.33344	13.4
528.33569	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10718	0.7
52.71046	0.6
53.00309	1.0
53.03937	3.9
55.01856	5.8
55.05503	18.5
57.03431	13.0
57.07067	22.6
59.04987	6.2
61.02914	5.2
63.52871	0.7
67.05490	5.8
67.36166	0.6
68.38351	0.7
69.03418	24.5
69.07056	97.3
71.01326	1.9
71.04982	12.7
71.08616	14.3
73.02900	15.7
73.06536	16.3
79.05473	12.1
81.03402	12.8
81.07039	12.4
83.04966	15.0
83.08607	5.7
85.02893	41.4
85.06516	1.8
85.10176	7.1
87.04440	0.9
89.06013	41.3
91.05475	5.6
92.08891	0.8
93.07028	10.5
95.04954	7.8
95.08603	6.8
97.02878	21.5
97.06515	7.0
97.10117	1.0
98.06819	1.1
99.04442	4.2
99.08087	1.6
99.11662	0.9
104.92680	0.8
105.03374	100.0
105.07014	7.2
107.08580	17.2
109.02875	9.3
109.06527	2.0
109.10161	6.3
111.08081	3.2
111.11703	90.4
115.03915	6.7
119.08553	6.3
121.06478	1.7
121.10117	11.1
123.04416	16.0
123.08019	1.6
123.11707	1.0
125.09584	1.7
127.03885	9.6
127.07524	11.5
129.12733	76.1
131.08563	4.2
133.04976	3.7
133.10083	5.9
135.08047	4.4
135.11667	12.9
137.05966	4.0
137.09579	1.0
143.08568	1.1
145.04955	4.6
145.10110	4.9
147.04390	1.0
147.11700	1.8
149.09630	1.0
149.13264	4.2
153.09129	1.5
157.10077	1.2
163.06027	1.3
163.14819	2.0
165.12717	0.9
173.13242	4.9
175.11093	0.9
181.04979	1.1
189.09143	4.1
191.14294	7.7
194.02873	0.8
199.16924	15.8
209.15343	23.1
217.17935	31.6
217.19878	1.6
222.51645	0.8
227.16371	5.9
233.11873	1.1
234.11850	1.3
239.86755	0.9
249.07510	15.6
267.08578	35.4
313.18323	0.9
375.15369	5.0
473.33725	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03933	3.7
53.44798	0.2
55.01861	0.5
55.05503	2.8
57.03416	1.7
57.40772	0.2
59.04988	0.3
61.02898	0.4
67.05477	1.8
67.40118	0.3
69.03067	0.4
69.03414	8.0
69.07047	2.0
71.04969	2.7
71.88608	0.3
77.03883	0.4
79.05467	9.7
81.02929	0.4
81.03394	10.9
81.07032	2.7
83.04972	1.9
83.08602	2.6
84.80290	0.3
85.02885	14.0
85.06514	1.5
87.04459	0.3
91.05459	2.7
92.09255	0.9
93.07027	5.2
95.04941	16.7
95.08564	2.1
97.02863	6.5
97.06505	2.9
97.26669	0.2
99.04423	5.1
99.08067	1.7
105.03367	100.0
105.07011	5.1
106.03682	0.5
106.07373	0.3
107.08574	5.0
109.02850	5.3
109.06496	5.4
109.10136	3.4
111.04372	0.3
111.08073	0.5
115.07506	0.5
117.07008	0.4
119.08553	3.6
121.06487	0.4
121.10107	8.9
123.04394	14.7
123.08047	3.2
123.11684	0.6
125.05997	0.3
125.09641	0.5
127.03871	5.4
127.07522	1.0
129.37505	0.3
131.04883	0.3
131.08548	3.4
133.10097	14.7
135.08003	2.4
135.11653	1.4
137.06000	0.4
137.09583	0.4
139.11176	0.4
141.49187	0.3
143.08508	0.5
145.04906	0.5
145.10106	2.1
147.04344	0.6
147.11650	6.2
149.09586	0.6
149.13258	1.1
151.11154	0.4
153.09068	4.5
157.10127	0.4
158.10861	0.6
159.11504	0.3
161.09631	0.5
163.11169	0.5
163.14810	1.3
165.12688	2.2
167.14264	0.4
171.10161	1.0
173.13216	5.8
175.11194	0.3
177.05457	0.4
191.14270	8.0
209.15312	10.2
225.31567	0.3
227.12880	0.4
227.16357	11.8
231.06538	0.5
249.07504	6.8
267.08557	19.6
268.09024	0.4
289.60516	0.3
326.51151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49463	0.1
51.02365	0.3
53.03938	2.4
53.41939	0.1
54.81820	0.1
55.01881	0.2
55.05501	4.4
57.03436	1.6
57.07061	0.4
59.04971	0.3
61.02905	0.2
62.70601	0.2
67.05482	1.2
69.03412	7.6
69.07063	1.6
71.04971	1.7
76.56945	0.2
77.03901	0.8
79.05006	0.2
79.05470	9.0
81.03395	9.8
81.06591	0.3
81.07034	5.5
83.04961	2.5
83.08608	3.6
85.02887	13.6
85.06503	0.8
91.05455	1.9
92.08950	0.3
93.07024	3.3
95.04943	13.6
95.08574	2.5
97.02869	4.7
97.06516	1.9
97.10136	0.7
99.04429	3.9
99.08053	0.2
105.03370	100.0
105.06994	3.3
106.03692	0.4
107.08573	6.4
109.02862	6.3
109.06496	7.4
109.10146	5.7
111.08075	1.0
113.09631	0.2
117.07052	0.2
119.08555	2.9
121.10123	5.2
123.04399	14.3
123.08020	1.2
123.11681	2.1
125.09616	1.1
127.03896	5.4
131.08545	3.0
133.10097	11.0
135.08029	1.2
135.11632	1.4
137.09589	0.3
139.11169	0.2
140.60759	0.2
143.08517	0.4
145.04935	1.3
145.10081	1.5
147.11655	2.1
149.13235	3.8
151.11156	2.7
153.09081	3.0
158.10870	1.3
161.13226	0.2
163.11137	0.2
163.14865	0.7
165.05460	0.2
165.12718	0.9
167.14267	3.4
171.10141	0.3
171.11633	0.2
173.13216	5.6
191.14264	6.2
207.13805	0.2
209.15327	11.3
227.16354	2.2
231.06500	1.2
246.26329	0.2
249.07509	7.6
250.69833	0.2
267.08569	19.5
298.94446	0.2
353.19489	0.7
475.23474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01859	0.7
55.05500	3.5
57.03425	2.9
57.07068	1.3
57.31342	0.5
59.04987	1.1
60.78324	0.5
61.02918	0.7
63.91767	0.6
67.05497	7.9
69.03420	9.1
69.07055	5.0
70.06583	0.9
70.07392	0.6
71.04982	7.4
76.56808	0.5
79.05476	11.3
79.72724	0.5
81.03398	13.2
81.07039	14.5
83.04971	2.2
83.08596	2.5
85.02418	1.0
85.02890	17.4
85.06525	11.8
87.04477	0.6
91.05482	5.7
92.08740	0.8
92.09210	0.9
93.07036	8.3
95.04944	8.7
95.08589	15.9
96.08888	1.1
97.02877	8.0
97.06511	1.2
97.10171	1.4
99.04448	3.0
99.08071	0.8
103.05432	0.6
105.03375	100.0
105.07014	17.3
106.03728	0.8
107.04954	1.2
107.08578	30.5
109.02865	8.7
109.06490	4.6
109.10149	9.8
110.10455	0.8
110.60273	0.6
111.04419	0.5
111.08051	1.1
114.84321	0.5
117.06980	0.7
119.08546	13.4
121.06493	0.8
121.10123	51.4
122.10479	0.6
123.04409	14.7
123.08029	6.3
123.11700	2.8
127.03901	8.0
127.07520	0.6
129.06876	0.7
131.08542	4.9
133.07658	0.8
133.10103	9.3
135.11653	4.7
137.06035	0.8
137.09586	2.7
139.11176	0.8
143.08562	0.7
145.02806	2.2
145.04939	1.2
145.10104	3.5
147.04430	2.5
147.11673	20.3
149.05989	1.3
149.09566	0.6
149.13240	1.1
151.07553	2.4
159.11586	0.8
161.09694	0.6
161.13197	0.7
163.03876	1.1
163.14742	0.6
165.09062	0.9
165.12723	7.2
166.04982	6.2
167.07022	1.2
169.15904	1.3
170.80797	0.6
173.13237	6.7
177.05499	2.4
184.07356	1.1
185.13283	0.7
187.16873	1.1
191.10687	0.8
191.14253	8.6
205.12198	2.0
209.15340	1.3
231.06488	1.2
249.07520	12.3
267.08572	29.3
273.14893	0.9
277.21552	0.8
295.22662	2.2
313.23425	0.9
395.18744	0.6
413.19376	0.7
416.23523	0.6
528.24713	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.28
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39295	0.1
51.22722	0.1
53.03934	3.0
55.01863	0.4
55.05502	17.1
57.03426	1.8
57.07057	1.1
58.80941	0.1
59.04984	1.1
61.02903	0.3
64.33044	0.2
67.05490	3.2
69.03412	8.7
69.07052	3.1
71.04968	2.4
74.79567	0.2
77.03902	0.4
79.05472	8.3
81.03397	9.8
81.07030	4.7
81.71698	0.2
83.04459	0.2
83.04960	9.3
83.08601	15.4
85.02886	13.5
85.06510	1.8
91.05457	1.5
92.08905	0.3
93.07017	6.3
95.04944	16.3
95.08585	3.7
97.02872	5.1
97.06508	3.6
97.10139	3.4
99.04431	4.2
99.08054	0.7
105.03369	100.0
105.06985	2.9
106.03722	0.2
107.08572	11.5
109.02860	6.9
109.06503	4.6
109.10136	10.0
111.04414	0.2
111.08063	3.8
111.11794	0.2
112.08828	0.3
113.09647	0.4
115.07536	1.0
117.06982	0.3
119.08552	2.5
121.06465	0.2
121.10114	12.3
121.53042	0.2
123.04397	15.3
123.08054	0.4
123.11684	3.6
125.09594	3.7
127.03901	6.0
131.08540	2.3
133.10097	9.0
135.08003	1.2
135.11667	1.4
137.09589	0.3
139.02446	0.2
139.11150	0.2
143.08566	0.7
145.04926	1.1
145.10056	1.3
147.11655	2.1
149.09573	0.3
149.13217	3.3
151.11156	16.5
153.09061	4.1
158.10870	0.8
163.14778	2.1
165.12596	0.2
167.14270	19.5
173.13239	5.0
175.14803	1.9
175.38016	0.2
177.05336	0.2
191.14270	4.2
209.15326	46.5
216.99898	0.2
227.16383	1.9
231.06357	1.4
249.07527	12.0
259.90408	0.2
267.08572	27.5
317.17557	0.3
327.99603	0.2
535.47015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.05505	29.2
56.36804	0.5
57.03445	1.9
57.07055	0.6
59.04985	1.0
61.02913	0.9
66.58927	0.5
67.05489	4.6
69.03060	0.8
69.03416	10.3
69.07048	3.7
71.04961	3.7
72.70168	0.6
73.91528	0.5
79.05479	9.1
81.03398	13.2
81.07028	6.5
83.04469	0.7
83.04961	13.9
83.08604	20.9
85.02890	14.3
85.06521	1.3
86.09692	0.9
86.68488	0.6
90.80619	0.5
91.05448	3.4
92.09222	2.7
93.07021	8.2
94.73010	0.6
95.04951	21.6
95.08586	6.6
97.02852	6.2
97.06499	4.9
97.10165	4.4
99.04442	6.9
99.08050	1.4
105.03374	100.0
105.06993	4.3
106.03730	0.9
107.08579	14.1
109.02852	9.6
109.06485	4.6
109.10140	15.0
111.08052	5.1
113.09626	2.4
117.03353	1.0
117.05457	1.1
117.06984	0.7
119.08562	4.1
121.10102	9.5
123.04403	15.4
123.08025	1.2
123.11678	5.0
125.09640	4.5
127.03896	6.7
131.08534	3.6
133.10109	13.5
135.08031	1.2
135.11681	1.3
139.11172	1.2
145.02829	5.1
145.04903	1.0
145.10057	2.5
147.11638	4.1
149.09636	0.8
149.13223	5.6
151.11156	23.3
153.09090	7.4
154.07710	0.6
158.10892	0.8
163.03792	0.6
163.14786	1.0
167.14285	25.6
169.15730	1.0
171.00888	0.6
173.13249	4.9
175.14774	3.3
177.05443	3.7
184.07281	0.9
191.14240	5.4
209.15340	70.0
227.16415	6.3
244.22789	0.6
249.07533	14.1
267.08597	26.3
302.50406	0.6
377.08414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
53.37539	0.4
57.03426	1.7
61.02880	0.6
69.03123	0.5
69.03419	7.5
69.07033	0.4
71.04993	0.4
77.03915	0.4
79.05460	5.6
81.03398	14.0
81.07020	0.8
85.02882	10.2
92.09164	0.7
92.64463	0.5
95.04940	5.3
95.08578	0.6
96.70354	0.4
97.02866	8.3
99.04427	2.0
103.05405	0.4
105.03370	100.0
109.02867	8.7
113.38102	0.5
123.04392	10.9
127.03895	5.1
130.87688	0.4
131.04890	0.7
135.04361	0.5
137.05936	0.7
145.04938	1.8
149.05956	0.9
159.04477	0.5
165.35516	0.4
167.06993	12.8
177.05424	3.2
188.20616	0.5
193.08597	0.5
207.06657	0.5
209.07956	0.7
221.07921	0.5
222.86598	0.5
227.09036	1.6
231.06322	0.5
249.07521	11.9
267.08594	12.4
286.33298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
54.81445	0.3
55.01870	0.4
57.03420	0.6
60.51311	0.3
61.02909	0.4
63.93097	0.3
69.03416	6.4
77.03918	0.7
79.05480	4.9
81.02933	0.7
81.03397	14.8
85.02889	7.9
92.08932	1.7
95.04952	6.8
97.02876	9.2
99.04442	1.9
105.03372	100.0
109.02874	8.1
121.06432	0.5
123.04404	10.4
127.03892	5.4
131.04930	0.7
133.06532	0.4
145.04944	0.8
149.06010	1.7
167.06999	14.5
173.51099	0.4
177.05409	4.1
182.12846	0.4
189.05264	0.5
201.05385	0.4
209.08089	1.5
211.09650	0.4
227.09077	0.8
249.07497	12.2
249.09865	0.6
267.08548	11.5
325.18622	0.4
490.15051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53403	0.1
51.02374	0.3
53.03939	3.7
55.01850	0.6
56.10170	0.1
57.03443	1.0
61.02920	0.2
61.80200	0.1
67.05486	0.1
69.03412	7.0
69.27892	0.1
71.04973	0.8
73.02905	0.2
77.03915	0.6
79.05476	5.2
81.03398	13.5
85.02888	7.7
91.05457	0.3
92.09003	0.2
95.04945	5.4
95.08571	0.2
96.12871	0.1
97.02866	8.0
99.04433	2.0
103.03967	0.1
103.05447	0.2
105.03371	100.0
105.07015	0.6
106.03661	0.2
107.04951	0.2
109.02859	7.6
109.10155	0.2
121.06459	1.0
123.04404	9.5
127.03894	5.1
131.04886	0.9
133.06477	0.3
137.05945	0.6
145.02950	0.2
145.04968	1.3
145.06465	0.1
147.04419	0.2
149.05943	0.9
159.04402	0.6
161.06009	0.3
165.05507	0.2
167.07001	8.6
170.73830	0.1
172.55487	0.1
177.05421	3.1
191.07095	0.1
193.08606	0.7
195.06508	0.2
196.58676	0.1
207.06671	0.2
209.08046	1.5
216.48538	0.1
221.08157	0.4
227.09145	1.0
231.06535	0.7
233.08089	0.3
249.07523	14.0
251.09146	0.3
267.08572	13.4
275.97714	0.1
525.64410	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	528.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.4
53.03937	5.1
53.55935	0.2
54.82127	0.3
55.01860	2.8
55.20080	0.2
57.03420	1.7
57.07058	1.0
61.02898	1.1
64.33963	0.2
67.01854	24.9
67.05505	0.5
67.38158	0.2
69.03415	23.3
70.06567	3.1
71.01340	0.3
71.04609	0.4
71.04973	7.3
73.02897	0.5
79.05478	0.3
81.03397	33.0
81.07024	1.0
83.01317	0.3
83.04974	0.3
85.02888	11.6
85.06535	0.5
93.07006	1.2
95.04928	1.2
95.08585	0.5
97.02867	26.8
99.04430	16.5
101.02366	0.5
103.03941	0.5
105.03377	4.6
105.89380	0.3
107.08566	0.4
108.04446	2.9
109.02860	50.5
109.10130	1.3
110.10551	0.3
111.04401	0.9
111.08070	0.4
112.07581	1.9
115.03915	2.1
121.10113	0.4
123.04411	0.6
123.11643	0.5
125.02330	1.6
125.05982	0.3
127.03892	100.0
135.06760	0.4
137.05873	0.3
137.09596	1.6
139.03880	6.2
140.07051	0.4
145.04915	2.7
159.77113	0.3
161.05960	0.3
165.07878	0.3
165.09108	0.5
167.06978	1.4
167.65318	0.3
169.04930	6.9
172.41704	0.3
187.05994	11.7
189.05464	0.3
201.52971	0.3
202.10422	0.3
205.07062	1.6
215.98390	1.8
229.07010	4.2
235.06015	1.1
247.08087	16.5
247.11020	0.5
247.11674	0.5
261.98752	0.4
289.09317	0.6
329.52301	0.3
355.10120	1.2
512.14838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01861	1.1
55.05507	0.3
57.03429	3.4
57.07063	0.2
61.02915	1.0
67.01860	0.4
67.05480	0.4
69.03413	14.8
69.07050	0.3
70.06583	1.1
71.01350	1.0
71.04972	3.8
72.89996	0.2
79.05472	0.3
81.03397	24.9
81.07047	1.1
83.01305	0.3
83.04959	0.4
85.02887	21.7
87.04443	0.4
91.05480	0.5
92.09092	1.1
93.07027	1.4
95.04951	0.5
95.08539	0.3
97.02866	100.0
99.04424	6.7
101.02403	0.3
105.03375	2.7
107.08575	0.6
108.04477	1.0
109.02859	68.1
109.10135	1.0
110.07137	0.3
111.08070	0.2
112.07594	0.4
115.03880	0.4
121.10133	0.6
123.04422	0.2
123.11646	0.5
127.03883	23.3
133.10107	0.9
139.03880	2.5
145.04929	7.4
149.05911	0.3
151.11179	1.3
167.07033	1.4
169.04918	14.5
169.06363	0.6
169.12199	0.9
177.05444	0.5
187.06009	1.3
187.13232	1.1
205.07043	7.1
227.08977	0.3
229.07013	5.7
247.08076	0.4
249.07442	0.3
289.09100	4.8
434.62332	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03724	0.4
53.03929	3.4
54.82044	0.3
55.01859	0.9
55.05511	0.5
57.03425	2.1
61.02921	0.7
67.05476	0.6
69.03416	10.2
69.07044	0.6
70.06557	0.5
70.56243	0.4
71.01336	0.6
71.04971	4.5
76.75781	0.4
79.05501	0.6
80.04986	0.7
81.03399	28.4
81.07022	1.7
83.04974	0.6
85.02889	24.3
85.06532	0.5
91.05500	0.4
93.07033	2.4
95.08610	1.4
97.02871	76.7
99.04433	9.4
103.03930	1.5
107.08577	1.4
109.02863	100.0
109.10150	2.4
111.08099	0.7
111.22608	0.4
121.10104	0.7
123.11671	1.7
127.03894	62.0
131.04929	0.3
133.10121	0.5
137.09619	0.7
139.03860	3.6
145.04959	4.3
151.11137	2.1
165.08994	0.5
169.04922	19.3
169.12231	2.4
177.05441	0.5
187.05992	2.5
187.13269	3.2
205.07037	2.5
207.06657	0.5
211.06009	2.0
229.07060	9.7
271.08145	2.9
289.09100	22.2
493.32431	0.4
538.32062	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.2
53.00290	0.4
53.03934	3.4
55.01859	1.5
55.05499	2.1
57.03419	2.0
57.07064	2.9
59.04976	0.8
61.02905	1.2
61.95007	0.2
67.05482	1.2
69.03412	8.0
69.07050	11.4
71.01334	0.3
71.04971	2.2
71.08617	1.4
73.02892	2.3
73.06529	2.4
75.25056	0.2
77.03885	0.4
79.05473	7.5
81.03394	14.3
81.07033	4.7
83.04967	1.2
83.08585	0.9
85.02882	13.2
85.06527	0.4
85.10139	0.7
87.04447	0.4
89.06003	4.1
91.03928	0.2
91.05451	1.9
92.09052	0.4
93.07025	2.3
95.04943	6.3
95.08572	2.1
97.02865	10.1
97.06499	2.8
97.10164	0.3
99.04410	2.7
99.08056	0.8
105.03367	100.0
105.06983	2.0
106.03685	0.4
107.04926	0.2
107.08567	3.3
109.02857	7.5
109.06507	2.0
109.10133	1.4
111.04344	0.2
111.08080	0.7
111.11694	10.4
115.03913	0.7
117.06977	0.3
119.04906	0.2
119.08517	2.5
121.06483	0.3
121.10101	2.1
123.04400	11.7
123.08042	0.4
123.11693	0.7
125.09600	0.4
127.03885	6.5
127.07520	0.4
128.06178	0.2
129.06956	0.3
129.12723	8.9
131.08496	1.1
133.04945	0.8
133.10069	1.5
135.08041	1.1
135.11673	1.1
137.05959	0.8
139.07553	0.2
143.08511	0.4
145.02820	0.3
145.04919	1.8
145.10124	1.0
147.04381	0.4
147.07996	0.3
147.11685	1.4
149.02324	1.0
149.09610	0.4
149.13246	1.0
151.07561	0.3
151.11093	0.2
153.06926	0.3
159.11583	0.4
163.14803	0.8
165.12721	1.6
171.11584	0.3
173.13307	0.4
175.11140	0.2
177.05435	0.3
189.09161	0.2
189.12691	0.2
191.14276	1.5
199.07492	1.8
199.16931	1.4
209.11928	0.2
209.15346	2.2
217.12268	0.2
217.17896	3.9
227.16345	2.7
231.06523	0.8
233.11649	0.5
234.12115	0.4
237.21143	0.2
249.04880	0.2
249.05603	0.2
249.07507	12.4
267.08572	16.5
333.08679	0.2
335.08951	0.2
465.89642	0.2
501.61053	0.2
528.31866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2614
Annotation	Glu Asn His Lys
Peak:m/z	Relative Intensity
51.15154	0.4
66.50232	0.5
67.05484	1.1
79.05473	0.9
81.07044	1.3
83.04953	0.6
83.08619	0.9
85.02903	0.6
91.05459	2.5
92.08755	2.4
93.07019	1.0
95.04948	1.2
95.08597	2.5
105.03423	0.7
105.07043	0.9
107.08601	2.3
109.10165	1.0
115.60554	0.5
119.08580	1.3
129.20386	0.6
131.08519	1.2
145.10117	0.8
161.90970	0.6
171.47105	0.5
187.14787	0.6
205.68192	0.6
225.94954	0.6
226.13589	0.7
290.88144	0.6
305.06284	2.5
526.32434	1.0
527.26038	100.0
527.32501	3.8
528.26373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	0.7
71.93155	0.4
74.64913	0.4
81.03394	0.8
81.07062	0.5
83.04944	0.6
91.05453	0.9
92.09256	1.2
93.07024	0.8
94.96915	0.4
95.04973	0.5
95.08555	0.7
105.03362	0.9
109.10165	0.7
133.10136	0.5
165.12532	0.4
193.42215	0.5
306.76016	0.5
483.34354	5.0
527.33319	100.0
528.34344	0.7
549.65100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.7
53.73526	1.2
53.74886	1.5
55.01862	4.2
55.05505	34.7
57.03427	28.7
57.07063	1.5
59.10088	1.4
67.05145	2.5
67.05499	74.4
69.03398	3.8
69.07054	20.5
71.04969	7.7
77.36459	1.5
79.05476	100.0
79.63876	1.6
81.03404	63.5
81.07036	72.4
83.04969	33.7
83.08603	24.1
85.02887	24.6
85.06530	7.0
87.93571	1.5
91.05460	92.9
92.09029	10.4
93.01122	1.4
93.07026	94.0
95.04948	49.5
95.08595	37.8
97.02867	2.7
97.06499	7.9
97.10152	3.0
100.11252	1.5
105.04530	1.7
105.07020	71.1
107.04945	15.6
107.08582	28.0
109.06507	11.6
109.10135	7.2
111.08048	12.0
115.05499	1.7
117.07007	17.1
119.08560	50.1
121.06460	3.0
121.10136	14.2
123.08072	3.6
123.11700	2.1
128.06242	3.1
129.07001	25.9
131.08565	16.5
133.10101	20.1
135.08055	1.7
143.08543	13.0
145.10106	11.3
147.08015	3.0
147.11678	46.4
149.09633	6.4
157.10115	10.7
159.11707	3.1
161.09628	3.3
161.13235	11.4
163.11131	2.0
171.11600	23.7
175.11168	14.4
189.12758	9.3
193.12201	27.1
202.81131	1.9
207.13757	21.0
209.33778	1.7
211.13280	30.9
267.15857	19.5
281.17419	69.7
285.16916	25.1
334.59100	1.8
473.28857	46.7
491.29980	64.2
526.31470	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	526.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.0
55.01869	13.4
55.05259	1.8
55.05505	23.9
57.03433	17.8
57.07054	1.1
59.04987	6.3
62.08257	1.5
66.08960	1.1
67.05489	17.7
69.03426	2.7
69.07045	8.1
71.04964	6.0
73.53349	1.3
79.05474	32.3
81.03397	16.2
81.07034	30.6
83.01333	14.1
83.04974	17.8
83.08607	19.9
83.66369	1.2
85.02879	6.0
85.06509	2.1
91.05447	21.5
92.08725	8.2
92.09364	3.1
93.07018	43.4
95.04930	15.0
95.08591	14.4
97.02839	2.5
97.06499	7.1
97.10121	2.9
99.04451	2.8
105.03374	13.7
105.07012	20.1
106.03697	3.3
107.04932	11.5
107.08568	24.1
109.06516	13.5
109.10149	5.7
111.04417	3.1
111.08041	2.9
117.07003	11.0
119.08570	13.2
121.06498	2.8
121.10120	11.8
123.08059	14.6
129.07025	2.2
130.07718	1.3
131.08571	5.7
133.10120	5.9
135.08052	3.1
135.11664	14.1
137.09621	2.5
145.10106	19.4
147.08046	2.8
153.12694	1.7
159.11687	1.7
163.11156	32.7
173.09679	1.7
181.12160	2.8
184.07306	1.5
191.10655	2.2
209.11646	7.6
227.12773	2.1
283.15350	100.0
307.14951	1.3
411.97891	1.4
472.26498	1.6
491.26257	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
55.05265	0.7
55.05503	11.3
57.03427	10.4
57.07071	0.9
59.04974	1.4
67.05190	0.6
67.05493	12.8
69.03413	18.3
69.07055	12.0
70.06564	4.6
71.04980	7.0
73.02884	1.5
75.04484	0.6
77.03883	0.6
79.05471	9.4
81.03391	4.0
81.07041	34.6
83.04977	4.9
83.08600	12.8
85.02895	15.6
85.06532	9.3
87.04450	10.0
91.05455	10.9
92.08697	1.1
92.09225	2.1
93.07022	11.0
95.04956	2.5
95.08587	55.3
97.02862	13.7
97.06509	11.9
97.10151	6.9
99.04432	0.8
99.08099	4.6
100.07577	1.1
100.11227	8.4
105.03381	11.0
105.07011	17.2
107.08575	8.2
109.02858	1.4
109.06512	2.7
109.10153	7.9
111.04424	3.5
111.08051	3.4
112.07575	2.7
113.09602	1.0
115.03902	9.2
115.05416	0.7
115.07521	0.7
117.07013	0.9
119.08561	27.1
121.02800	0.6
121.10125	10.0
123.04346	0.7
123.08067	6.1
123.11668	1.3
125.09644	0.8
127.03862	1.4
128.07065	1.2
133.04971	7.4
133.09192	0.9
133.10118	20.2
135.11673	14.3
137.05942	3.2
137.09622	1.4
137.13234	14.5
139.11124	0.8
140.07005	0.8
141.09102	1.1
141.11464	1.1
141.66351	0.6
147.04401	1.0
147.11617	2.4
149.06090	0.7
149.09492	0.7
149.13222	0.9
150.07568	1.0
151.10950	0.6
159.11642	0.6
161.13225	62.8
167.14232	1.0
177.05382	1.0
179.14276	49.4
182.15332	6.2
197.15329	11.0
209.16460	1.2
210.14810	5.4
215.16394	100.0
228.15820	0.9
249.07568	0.8
267.08725	0.9
284.10965	1.0
287.54584	0.7
299.12604	1.1
311.22073	1.3
517.36475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.5
53.03927	2.6
55.01859	3.7
55.05502	3.9
55.68528	0.4
57.03421	6.5
57.07060	1.0
59.04979	1.9
61.02911	11.5
67.05489	2.1
69.03414	21.8
69.07053	12.0
71.01302	0.6
71.04982	3.5
73.02888	4.5
79.05472	4.7
81.03391	10.0
81.07036	4.1
83.01341	0.7
83.04969	2.2
83.08598	5.5
85.02887	100.0
87.04434	2.1
91.03929	4.6
91.05446	3.4
92.09246	1.0
93.07012	4.9
95.04949	2.3
95.08579	2.9
97.02867	29.7
97.06496	6.5
97.10126	0.7
98.05992	0.7
99.04430	4.8
101.02391	0.6
105.03394	4.1
105.07021	2.4
107.04916	1.1
107.08587	4.1
109.02855	10.3
109.06478	0.8
109.10152	2.4
111.08071	3.2
117.07014	0.5
119.04948	1.9
119.08562	1.8
121.10086	2.1
123.04433	0.9
123.11671	1.1
125.09629	0.7
125.13259	2.5
127.03887	19.2
127.07549	0.5
131.08565	0.9
133.10103	0.8
135.04428	0.5
137.05956	14.3
144.06529	2.6
145.03821	1.0
145.04939	26.2
147.08044	0.5
149.13235	6.0
159.08061	0.6
162.07600	1.1
163.05994	5.7
163.07382	1.1
167.14256	7.2
171.11703	0.6
177.05415	0.7
185.15326	13.0
186.06812	0.5
189.09215	0.6
196.76620	0.5
201.09081	0.7
215.10646	3.0
233.11656	9.3
244.99702	0.5
287.12854	0.7
311.16278	0.5
316.34027	0.5
329.17316	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.0
54.81831	0.6
55.01857	3.1
55.05505	20.3
56.05822	0.5
56.37530	0.5
57.03428	7.5
57.07057	3.2
58.95557	0.4
59.04973	1.1
61.02918	8.8
67.05494	8.9
69.03072	0.8
69.03420	23.1
69.07053	21.5
70.07371	2.6
71.04976	6.3
73.02898	2.3
79.05470	9.6
81.02935	0.7
81.03400	17.9
81.07039	29.3
82.07361	3.2
83.01311	0.6
83.04969	21.1
83.08609	5.5
83.65784	0.5
85.02891	69.7
85.06516	5.0
87.04423	2.2
90.15084	0.7
91.03928	1.2
91.05461	33.8
92.09056	0.6
93.07021	11.8
94.07365	0.7
95.04945	30.5
95.08006	1.0
95.08588	21.6
96.08902	1.3
97.02867	22.8
97.06508	4.1
97.10134	2.2
99.04433	9.4
99.08065	3.2
100.11231	0.8
105.03374	100.0
105.07014	6.9
107.04923	1.3
107.08577	17.6
109.02864	16.4
109.06481	3.3
109.10149	16.1
110.10459	1.3
111.04466	0.8
111.08062	5.3
111.11682	4.2
117.06969	0.8
119.08550	7.1
119.37287	0.6
121.06438	0.7
121.10120	13.3
123.04402	13.3
123.08054	7.7
123.11674	10.2
124.12019	2.1
125.05971	0.6
125.09618	4.3
127.03889	16.9
127.11192	0.6
129.07007	0.5
131.08525	3.0
133.10109	3.7
135.08034	0.8
135.11630	6.2
137.05930	1.1
137.09595	2.2
137.13219	5.2
139.11162	2.5
145.04935	18.0
145.10110	3.2
147.08037	1.0
147.11655	7.3
148.11958	0.6
149.09601	6.0
149.13237	5.1
151.07536	0.9
151.14844	0.5
152.08279	0.8
153.09041	4.0
153.12723	0.8
156.09290	1.1
159.11656	3.2
161.09543	0.9
161.13188	3.2
163.05994	6.1
163.11150	2.5
163.14720	1.4
165.12683	3.2
167.06953	1.1
167.10661	1.1
167.14355	1.9
169.12190	2.2
171.11633	3.1
173.13202	0.8
177.05492	0.8
177.14835	0.5
177.16356	0.7
185.09622	6.0
189.12720	5.7
197.09497	0.6
207.13744	5.1
222.26212	0.6
225.14821	43.2
242.77322	0.6
243.15862	4.5
249.07533	15.7
267.05945	1.1
267.08600	21.5
291.26773	2.3
297.27850	1.3
298.28244	0.7
309.27933	6.7
310.28140	4.3
327.28860	0.7
389.12689	0.6
428.11594	0.6
455.55374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
55.01848	0.9
55.05503	3.3
57.03429	1.6
57.07056	0.8
59.04996	0.6
64.50356	0.6
64.79973	0.5
65.03947	0.7
67.05486	3.5
69.03415	6.6
69.07051	20.7
70.30230	0.6
71.04974	1.2
72.33091	0.5
73.68137	0.5
74.40332	0.5
77.03910	1.2
78.48239	0.6
79.05472	12.6
81.03413	6.8
81.07036	33.9
83.04974	1.1
85.02873	8.5
85.06530	1.5
88.16348	0.7
91.05460	22.1
93.07020	100.0
95.04929	8.5
95.08580	7.2
95.28783	0.7
97.02867	63.0
97.06511	16.8
98.03204	16.8
99.03298	4.1
99.04414	1.1
99.08089	1.6
103.05437	1.0
105.03370	48.2
105.04446	1.2
105.07011	38.9
106.03682	1.5
107.08569	28.1
109.02864	3.2
109.06537	1.5
109.10159	1.0
117.03388	0.9
117.06976	3.7
119.04908	1.4
119.08556	36.3
120.09348	2.7
121.06490	3.0
121.10110	24.3
123.04380	7.2
123.08040	4.1
123.11739	0.9
127.03899	5.2
129.06998	1.2
130.59209	0.7
131.08588	2.8
133.06471	11.9
133.10101	9.0
135.11644	5.3
137.05952	27.6
137.13248	1.0
144.09192	0.8
144.66624	0.6
145.02802	1.4
145.10109	1.2
147.04398	1.3
147.11684	1.3
149.09615	0.9
149.13231	34.1
151.07542	0.9
151.11131	0.7
157.10217	0.9
159.11655	11.6
161.13206	13.5
163.11086	0.8
165.09067	30.0
166.20914	0.7
177.05428	3.9
177.12709	76.5
179.14264	5.8
189.09042	1.0
189.12761	1.6
191.14174	0.6
195.13765	3.4
207.13730	14.5
215.10689	3.1
225.14816	1.0
232.09550	0.7
233.11678	16.6
238.07764	0.9
249.07520	6.1
267.08582	13.9
313.67841	0.8
329.17291	5.4
526.30554	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	526.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
54.34853	0.4
55.01854	3.3
55.05505	21.7
56.54148	0.5
57.03432	7.0
57.07059	3.9
57.22823	0.4
59.04980	1.2
59.99332	0.5
60.61867	0.5
61.02916	7.0
66.45902	0.5
67.05492	9.9
69.03417	23.5
69.07056	28.9
70.03726	0.5
70.06588	0.8
70.07388	3.5
71.04975	5.6
71.08619	0.9
73.02901	3.5
79.05476	11.2
81.03407	18.6
81.07039	36.4
82.07366	4.8
83.01331	0.6
83.04967	18.3
83.08598	7.7
85.02892	72.7
85.06523	5.7
87.04442	2.9
91.03908	3.8
91.05462	30.5
92.08909	2.5
92.49841	0.6
92.74117	0.5
93.06483	0.8
93.07030	13.2
94.07353	1.1
95.04951	32.8
95.08587	28.6
96.08923	3.7
97.02876	22.8
97.06503	3.2
97.10154	2.8
99.04433	8.7
99.08090	3.4
100.11282	0.6
101.05966	0.6
105.03378	100.0
105.07001	7.6
106.03716	1.2
107.04956	0.9
107.08578	18.2
108.08914	1.3
109.02868	13.3
109.06493	2.9
109.10142	18.8
110.10374	1.7
111.08077	5.1
111.11742	5.5
112.12027	1.1
115.03901	0.7
115.29702	0.6
117.07009	0.6
119.08543	7.9
121.10128	12.4
122.10474	0.8
123.04410	12.4
123.08050	7.9
123.11687	11.2
124.12007	3.1
125.05974	0.7
125.09606	4.1
127.03905	17.7
127.11196	0.8
131.08553	2.7
133.10065	4.2
135.08058	1.3
135.11685	6.5
137.09598	2.9
137.13246	5.8
138.13599	0.9
139.11191	2.4
145.04936	15.6
145.10081	3.7
147.11671	8.9
149.09578	5.4
149.13242	7.8
150.13583	1.3
151.07535	0.7
151.14732	0.8
153.09041	5.3
153.12729	2.8
156.09326	1.0
159.11679	2.5
161.13228	3.5
163.05978	7.4
163.11185	3.0
163.14803	2.3
165.12712	4.2
167.07007	1.3
167.10651	0.8
168.07359	1.0
169.12175	2.3
171.11638	2.6
174.13634	0.7
177.16382	0.8
185.09583	5.3
189.12708	4.7
207.13757	5.8
216.83203	0.6
225.14833	39.6
231.06621	0.9
233.11586	1.0
243.15863	4.5
249.07487	12.7
266.23032	0.5
267.08569	21.5
273.25693	0.6
289.09186	0.7
291.26776	2.4
292.27078	1.4
297.27905	1.0
298.28299	0.8
309.27731	8.9
310.28201	5.0
325.11169	0.8
327.28931	1.3
346.30127	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.5
53.03928	3.0
55.01852	0.6
55.05500	4.1
55.32370	0.5
57.03427	5.6
61.02901	2.4
67.05479	3.0
69.03416	13.3
69.07053	0.9
71.01314	0.5
71.04961	1.3
73.02911	0.8
74.70827	0.6
75.04463	6.3
77.87829	0.7
79.05473	24.0
81.02998	0.7
81.03408	11.1
81.07037	8.7
83.04954	2.8
85.02891	20.6
85.06535	0.7
87.04450	1.4
87.41471	0.5
91.05454	11.1
93.07019	99.6
95.04946	7.0
95.08575	5.1
97.02866	9.5
97.06503	1.4
99.04411	3.8
105.03388	0.7
105.04479	0.9
105.06998	10.5
107.04925	1.1
107.08574	24.5
108.56579	0.5
109.02856	6.7
109.06499	2.4
109.10122	1.1
111.04427	1.4
111.08079	6.2
112.98309	0.6
117.07008	0.6
119.08559	19.8
121.06500	5.3
121.10117	100.0
123.08022	2.8
123.11694	0.8
125.05954	3.9
127.03894	5.9
129.07047	0.8
131.08556	5.8
133.10103	1.3
135.08006	0.8
137.05977	3.0
139.11165	8.1
145.04932	3.9
145.10060	0.8
147.04430	0.7
149.09592	19.3
152.10335	0.7
161.09618	0.9
163.11166	0.7
167.10641	33.2
175.11128	0.7
179.10649	0.9
185.11728	0.9
189.09207	0.9
191.10632	1.3
197.11707	1.0
207.10103	0.8
275.12656	1.3
283.15170	0.7
293.13794	5.9
311.14825	31.3
329.15848	5.1
366.70557	0.6
471.08160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
57.03416	0.4
61.02903	0.4
69.03422	0.9
78.04688	1.4
79.05460	0.5
81.03383	0.5
81.07020	0.1
84.08128	0.1
85.02890	4.4
91.05407	0.1
92.09138	0.4
95.04964	0.4
96.05701	0.2
97.02862	1.2
99.04446	0.2
106.04162	1.1
107.04924	0.4
109.02855	0.6
109.06541	0.1
122.03617	0.1
123.03519	0.2
123.04402	4.8
124.05204	1.8
127.03894	0.7
134.03583	0.2
135.04410	0.1
137.05977	0.2
140.04718	0.1
145.02859	0.2
145.04941	0.6
151.03871	0.9
151.61526	0.1
152.04678	1.7
165.05536	0.1
166.04982	0.2
167.07002	100.0
168.07304	0.4
177.05412	0.2
180.08736	0.1
339.11029	0.1
369.29581	0.1
409.44507	0.1
420.93872	0.1
421.46762	0.1
517.48413	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	525.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.8
53.03951	1.2
55.01862	1.6
55.05506	19.3
57.03416	1.9
57.07063	11.4
59.04988	1.6
59.74331	0.7
67.05492	19.2
68.48132	0.7
69.03425	6.2
69.07057	63.6
71.04992	2.9
71.08617	3.3
73.06541	0.9
76.56614	0.9
76.97026	0.8
79.05481	10.3
81.03378	1.0
81.07039	100.0
83.08607	20.8
85.02889	8.3
85.06532	18.1
91.05454	3.6
92.09113	3.7
93.07027	26.0
95.04942	1.8
95.08588	70.6
97.02878	1.5
97.06505	7.3
97.10139	7.2
99.08078	7.0
105.03393	1.3
105.07010	5.9
107.08588	28.0
109.10144	28.8
111.08061	24.4
111.11701	11.3
119.08562	3.8
121.10131	15.6
123.11678	29.4
125.09628	4.6
125.13258	1.6
127.11221	1.3
133.10094	4.3
135.11676	11.6
137.09589	1.0
137.13239	19.7
139.11142	4.1
147.11699	3.8
149.13246	19.5
151.14854	1.7
153.12708	10.3
155.14299	3.5
161.13197	1.7
163.14822	4.6
165.12698	1.0
167.14304	5.0
170.04221	0.8
171.13799	1.8
173.15289	1.4
177.16348	1.4
223.66438	0.8
279.26770	5.2
291.26776	12.0
297.27869	3.5
307.26605	1.0
309.27826	40.8
315.28891	4.2
327.28867	3.9
345.30017	7.1
542.86951	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30415	0.6
55.01858	3.9
55.05500	20.9
57.03416	1.5
57.07059	12.4
59.04979	3.9
67.05492	23.4
68.34528	0.8
68.74525	0.9
69.03423	6.3
69.07052	63.9
71.04978	1.8
71.08607	4.4
73.06540	1.6
79.05476	14.0
81.03413	1.3
81.07035	100.0
83.04961	1.6
83.08607	17.4
85.02888	11.4
85.06523	17.6
90.39867	0.7
91.05433	4.6
92.08658	2.7
92.09254	2.4
93.07024	30.9
95.04932	2.0
95.08584	80.1
97.02863	5.2
97.06499	7.9
97.10139	5.9
99.08082	7.6
105.03368	1.7
105.07037	6.7
107.08573	32.6
109.10139	31.7
111.08066	26.2
111.11688	14.1
119.08572	4.6
121.10130	18.4
123.11687	33.7
125.09587	4.8
125.13184	1.0
127.03870	1.1
127.11165	1.6
133.10049	3.0
135.11650	15.9
137.13234	23.3
138.48688	0.8
139.11150	4.5
147.11652	1.6
149.13226	24.2
151.14833	1.3
153.12737	8.9
155.14299	1.9
161.13248	1.2
163.14766	6.7
165.12735	1.0
167.14238	3.9
171.13786	1.7
173.15364	1.7
177.16316	1.2
273.25723	1.2
279.26688	4.5
291.26730	16.0
297.27853	5.6
309.27802	47.8
315.28812	3.9
327.28827	5.6
344.21490	0.9
345.29935	8.4
479.54346	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50422	0.9
53.03928	1.6
54.45566	0.9
55.01860	1.1
55.05503	15.5
57.03421	1.5
57.07068	10.1
61.65509	1.2
64.02233	0.8
65.43076	0.8
67.05492	25.1
69.03397	7.2
69.07053	63.6
70.19478	0.9
71.04968	5.3
71.08611	2.1
79.05470	12.8
81.03397	4.7
81.07035	100.0
83.04970	1.9
83.08603	18.7
85.02895	11.6
85.06531	20.6
91.05460	4.9
92.08994	6.6
93.07018	37.3
95.04984	6.7
95.08580	66.6
97.02869	12.3
97.06496	9.0
97.10136	7.8
98.03207	1.5
99.08073	10.1
105.03371	70.3
105.06989	11.4
106.03703	23.2
107.08570	36.0
109.02872	5.8
109.06492	1.6
109.09402	1.4
109.10142	42.2
111.08053	9.3
111.11700	10.7
113.09594	1.5
117.06993	1.2
119.08559	10.0
121.02853	1.9
121.10135	22.8
123.04440	1.2
123.08153	1.2
123.11681	36.0
125.09612	1.9
125.13212	1.0
127.03853	1.2
127.11182	1.5
131.08511	1.4
133.10085	6.7
135.08023	1.1
135.11673	15.6
137.05919	1.6
137.09576	1.3
137.13252	14.0
139.11166	6.1
145.02835	1.6
145.04962	1.2
145.10199	1.2
147.11646	7.3
149.05933	1.3
149.13240	21.6
151.14818	4.3
153.12711	6.0
159.11729	1.1
161.13251	2.0
163.03893	1.1
163.14868	7.5
165.12744	4.7
167.14227	3.1
171.13737	1.4
171.73656	0.9
177.16315	3.7
181.15956	1.3
191.17900	1.4
203.07130	0.9
209.19038	2.4
213.18469	4.2
219.06575	2.2
220.06853	5.0
227.19901	1.8
237.07567	6.1
238.07857	4.4
240.37447	1.0
253.21625	1.0
267.08514	1.1
273.25739	2.2
279.26682	1.9
291.26779	13.6
297.27792	7.6
309.27826	26.0
315.28790	1.4
327.28845	13.5
345.29855	5.0
355.98355	1.0
525.33960	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30961	0.3
60.19126	0.3
65.24216	0.4
69.03425	0.6
72.08160	0.7
73.14450	0.4
75.39200	0.4
84.04498	0.6
84.08137	0.5
85.02891	2.5
86.09683	2.7
92.08995	0.5
97.02846	0.6
98.97565	0.8
107.04930	0.6
108.91142	0.4
120.82380	0.4
123.04500	0.5
123.05526	0.8
124.03947	1.8
130.04953	0.5
135.04390	0.5
147.04376	0.5
164.07079	0.6
167.73396	0.4
177.00607	0.6
190.04967	0.6
237.02708	0.8
240.06583	0.6
273.09402	60.4
274.09796	2.2
275.10968	100.0
364.06302	0.4
411.08987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3714
Annotation	enantio-PAF C-16
Peak:m/z	Relative Intensity
56.05040	0.2
57.03437	0.3
57.07067	1.1
58.06593	0.3
60.08149	9.9
64.43320	0.2
66.09315	0.2
67.05508	0.4
69.07035	0.4
71.07359	3.5
71.08614	0.5
74.16118	0.2
80.33878	0.2
81.07027	1.2
86.09688	49.0
86.31750	0.2
89.87915	0.2
91.05446	0.6
92.09216	0.4
93.07020	0.5
95.08585	0.6
96.34289	0.3
98.98434	3.7
104.10722	3.8
105.06990	0.5
107.08539	0.4
109.10122	0.3
119.08572	0.3
124.99978	34.3
125.81362	0.2
184.07301	100.0
219.63585	0.3
234.78069	0.3
341.30292	0.3
506.35983	0.5
524.37030	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	524.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.3
53.96819	0.8
55.05508	16.1
57.03426	17.8
57.07059	1.8
59.04988	5.1
64.61462	1.0
67.05491	100.0
69.07056	9.3
69.52561	1.1
71.04970	1.6
79.05473	24.5
80.22253	0.9
81.03407	2.2
81.07036	38.4
83.04934	1.2
83.08575	7.9
85.06544	1.6
91.05457	16.2
92.08558	1.0
92.09090	4.1
92.63895	1.0
93.07018	30.5
95.04940	2.1
95.08584	28.9
96.62421	0.9
102.29044	1.0
105.07005	9.8
107.08570	17.1
109.10138	68.9
111.08056	1.4
117.06994	2.2
119.08514	7.8
121.10128	12.3
131.08537	6.7
133.10095	1.9
135.11691	6.4
137.09596	1.8
145.10100	4.0
147.11635	2.0
149.13313	3.6
155.10651	1.8
161.13191	1.9
172.07861	1.1
173.11719	13.7
173.13103	1.9
222.42191	1.1
229.14316	37.9
261.22067	8.0
295.77368	1.0
335.25720	47.0
411.18839	1.2
489.35663	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	524.3706
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05502	0.4
56.05018	0.9
56.99830	0.2
57.03419	0.9
57.07062	3.9
58.06581	1.1
58.61909	0.2
60.08147	21.1
65.59067	0.2
67.05479	0.5
68.29774	0.2
69.07054	0.4
70.06577	0.3
71.07351	7.3
71.08610	2.1
81.07022	0.9
83.08578	0.4
85.10142	1.0
86.09683	66.8
92.08752	1.1
92.09349	0.6
95.08578	1.1
96.07703	0.2
97.36224	0.2
98.21264	0.2
98.98436	4.1
101.88734	0.2
104.10718	93.7
104.70580	0.2
106.87370	0.2
109.10142	0.5
123.11629	0.2
124.18063	0.2
124.99971	38.6
143.01013	0.4
163.01512	0.5
165.67781	0.2
184.07292	100.0
185.07629	0.2
219.92627	0.2
251.52885	0.2
252.10721	0.3
258.10959	0.4
300.88141	0.3
341.30469	2.2
447.28351	0.4
506.35916	8.5
516.25067	0.2
524.37000	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	524.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10161	1.2
55.05501	11.2
55.20441	1.4
57.03430	13.9
57.07069	72.4
60.10416	1.1
67.05486	18.6
69.03410	1.7
69.07050	15.6
71.08617	55.0
73.18126	1.4
76.55999	1.3
79.05468	2.4
81.03397	9.3
81.07040	25.7
83.08600	20.6
85.02867	5.6
85.06517	1.6
85.10168	25.9
91.05468	3.2
92.09138	9.5
93.07015	7.0
95.01296	6.1
95.04929	1.9
95.08591	44.4
97.02905	1.6
97.10149	9.4
107.08597	2.6
109.10158	16.3
113.02320	2.2
119.08564	3.3
121.10118	2.6
123.11655	7.8
125.09638	1.4
129.06845	1.5
129.29060	1.6
133.10089	2.2
135.11713	1.6
137.08748	1.4
141.01801	7.6
145.10115	2.1
147.11751	1.4
157.10091	2.2
184.07179	1.6
227.10648	1.8
239.23643	21.4
246.39941	1.6
257.24658	2.1
267.15753	1.8
268.92203	1.5
277.95605	1.5
300.79703	1.5
313.27322	100.0
314.27716	2.4
331.28406	14.7
489.30356	2.4
506.39304	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.05508	18.2
57.03431	15.1
57.07051	1.3
63.19719	0.9
66.40573	1.1
67.05496	54.4
69.07058	17.4
71.04996	1.3
75.04465	1.2
79.05476	34.9
81.07043	45.5
83.08596	6.2
85.06535	1.4
91.05460	17.2
93.07025	40.8
95.04942	5.2
95.08588	41.1
97.06520	1.1
97.10148	1.4
98.98450	35.0
105.07023	14.0
107.08587	17.3
109.06524	2.1
109.10142	13.5
111.08096	1.7
117.07020	1.9
119.08573	13.0
121.10119	13.6
123.08009	1.8
123.11679	1.9
129.06978	1.2
131.08539	6.7
133.10094	8.2
135.11682	8.0
145.10127	5.2
147.11671	5.2
147.60811	1.0
149.13271	2.1
155.01059	8.0
157.10065	1.7
159.11694	2.4
161.13284	2.5
173.02068	1.4
175.14832	1.4
187.14821	1.1
195.49988	1.2
226.60109	1.2
243.21115	4.3
261.18896	1.0
261.21970	2.6
284.86871	1.1
317.24796	1.6
335.25745	100.0
415.22351	1.5
471.24817	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	524.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46978	0.4
53.03921	0.9
53.22804	0.4
55.01847	1.8
55.05499	3.9
57.03426	7.8
57.07047	0.5
59.04978	2.0
60.04507	0.8
67.05151	0.6
67.05494	20.0
69.03413	21.0
69.07046	3.5
71.04611	0.8
71.04976	17.8
73.02888	0.7
75.04468	0.7
79.05045	0.8
79.05469	13.0
81.03387	2.1
81.07039	42.0
83.04951	2.9
83.08610	3.3
85.02892	17.7
85.06075	0.6
85.06531	14.0
87.04452	12.3
91.03886	0.4
91.05462	9.0
92.08720	0.5
92.09194	1.0
93.07023	38.0
95.04943	3.4
95.08582	34.5
95.09206	0.9
97.02870	16.5
97.06514	9.1
99.04428	0.8
99.08068	6.9
101.05989	0.6
105.03377	2.3
105.07007	6.2
107.04951	0.9
107.08578	15.2
109.02837	0.7
109.06474	2.1
109.10124	2.2
111.04425	0.7
111.08035	5.9
113.05967	0.7
115.03922	9.0
117.06990	9.6
119.08593	3.5
121.06486	4.5
121.10117	4.9
123.08035	1.1
123.11678	0.9
125.09608	0.5
127.03860	0.8
127.07529	0.5
131.08545	12.1
133.04927	6.8
133.10110	14.9
135.08031	6.7
135.11670	44.8
137.05940	0.8
139.07477	2.1
145.02794	0.4
145.04860	0.7
147.04338	0.5
147.11687	2.5
149.05946	0.8
149.09618	2.0
149.12140	0.8
149.13240	14.7
150.07623	1.1
151.11137	1.0
153.09106	1.8
159.11662	29.3
165.09067	0.5
165.29666	0.5
168.65057	0.4
177.05424	1.9
177.12711	34.0
195.13771	25.4
213.14819	100.0
277.09100	0.6
309.16946	0.5
365.92276	0.5
371.15778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43077	0.1
53.03942	1.5
55.01865	0.2
55.05503	1.1
57.03423	0.8
57.07063	0.6
59.04983	0.2
61.02903	0.7
67.05505	1.6
69.03417	3.8
69.07056	4.6
70.06578	0.2
70.07378	0.6
71.04970	0.8
73.02904	0.9
77.03907	0.2
78.37025	0.1
79.05474	1.2
81.03393	1.7
81.07036	4.0
82.07381	0.4
83.04974	0.3
83.08599	0.6
85.02893	3.0
85.06523	0.7
85.99986	0.1
86.39363	0.2
87.15811	0.2
91.05459	5.6
92.09049	0.7
93.07024	1.8
95.04948	3.4
95.08585	2.8
96.08911	0.6
97.02867	7.7
97.06490	0.8
97.10128	0.2
99.04455	1.3
99.08080	0.3
105.03374	100.0
105.06983	1.7
106.03715	0.8
107.08573	1.6
108.08884	0.3
109.02851	0.9
109.06489	0.3
109.10173	1.7
110.10435	0.2
111.08059	0.3
111.11684	0.9
115.03915	0.2
117.06973	0.3
119.08549	1.0
121.10117	1.5
123.04433	1.3
123.08012	0.2
123.11651	1.2
125.09645	0.2
127.03877	1.4
130.12256	0.2
131.04918	0.6
131.08563	0.4
133.06467	0.3
133.10106	1.0
134.10506	0.2
135.04384	0.3
135.08124	0.2
135.11676	0.7
137.05960	0.8
137.09593	0.2
137.13245	0.6
139.11154	0.6
143.08554	0.3
145.02815	0.2
145.04935	2.5
145.06491	0.2
145.10136	0.3
147.04359	0.3
147.11629	0.3
149.09641	0.3
149.13263	0.2
151.11139	0.3
161.09576	0.3
161.13217	0.2
163.03879	0.8
163.11182	0.2
165.09120	0.4
165.12706	0.2
167.07034	0.2
171.07974	0.3
175.07436	0.2
177.05537	0.2
177.16364	0.2
180.38861	0.2
189.05429	1.2
201.05438	2.2
203.10638	1.3
219.06493	4.7
219.08429	0.3
237.07520	16.1
249.07617	0.3
267.08557	3.1
293.13834	0.2
295.26373	0.2
296.26459	0.2
307.26190	1.9
308.26630	1.0
325.27359	0.8
326.27765	0.2
363.22729	0.2
485.38147	0.2
505.26868	0.2
523.28558	1.1
524.29340	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.1
51.18412	0.1
53.03934	0.2
54.81823	0.1
55.01859	0.1
55.05495	0.2
57.03426	0.1
59.05013	0.1
60.04504	0.1
61.86612	0.1
65.03931	0.1
67.05473	0.2
69.03123	0.1
69.03422	0.8
69.07059	0.4
78.66801	0.1
79.05454	0.7
81.03401	0.6
81.07035	0.6
83.04953	0.1
83.63609	0.1
85.02891	0.9
85.06555	0.1
89.03902	0.1
91.04955	0.1
91.05465	1.6
92.08650	0.1
92.09226	0.3
93.03397	0.2
93.07027	0.2
95.04952	1.1
95.08590	0.7
96.04472	0.2
96.08881	0.1
97.02876	100.0
98.03222	0.2
99.04468	0.1
105.03379	10.9
105.06989	0.9
107.04951	0.2
107.08588	0.4
109.02872	0.2
109.06482	0.2
109.10124	0.5
111.04443	0.5
112.63210	0.1
114.05527	0.3
117.03393	0.1
117.07023	0.1
119.04938	0.2
119.08585	0.4
121.06614	0.1
121.10138	0.2
123.04415	0.4
123.11662	0.1
124.97032	0.1
125.05990	0.4
125.09588	0.1
127.03921	0.2
127.29594	0.1
129.06985	0.1
131.08539	0.2
133.06491	0.8
133.10153	0.2
135.04408	0.2
137.05965	3.9
141.06960	0.1
143.08589	0.1
145.06471	0.2
147.04399	0.2
147.08020	0.1
149.05946	0.1
151.03889	1.1
151.07516	1.1
153.05467	0.8
159.08058	0.2
162.06659	0.1
163.03925	0.7
165.09090	1.3
171.08055	0.5
177.08989	0.1
188.08395	0.4
203.10632	1.2
219.06491	2.1
221.11665	1.4
237.07527	3.1
249.07539	0.1
254.10086	0.1
327.15875	0.5
345.16837	0.9
381.11874	0.4
400.62610	0.1
523.28552	0.3
524.28967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.4
53.03931	2.0
55.01863	9.5
55.05495	1.3
57.03429	2.7
58.77897	0.2
59.04982	0.6
61.02907	0.4
65.03932	0.4
67.05483	1.6
69.03414	20.9
69.07055	1.6
71.01333	3.4
71.04965	1.1
73.02885	1.0
77.03886	0.4
79.05473	8.6
81.03400	2.3
81.07043	3.5
83.04945	0.9
83.08598	0.4
85.02890	8.9
85.06519	0.4
87.04438	2.8
91.05462	6.8
92.08960	0.5
93.03375	0.3
93.07012	1.6
94.07337	0.2
95.04951	5.6
95.08603	2.8
96.04489	0.3
97.02870	26.4
97.06477	0.5
97.10108	0.2
99.04429	0.4
105.03372	100.0
105.07008	2.9
107.04958	0.4
107.08588	2.0
109.02874	1.3
109.06501	0.5
109.10163	2.1
111.04431	1.5
111.08085	0.5
111.51452	0.2
115.03907	13.4
117.06976	0.3
119.04912	1.2
119.08562	2.2
121.06435	0.3
121.10145	1.1
123.04403	13.9
123.07991	0.2
123.11683	0.9
125.05975	1.6
125.09559	0.3
127.03899	1.7
131.08487	0.3
133.06500	0.4
133.10075	0.6
135.11594	0.4
137.05962	5.7
137.09595	0.5
137.13213	0.3
143.08525	1.1
145.02837	0.3
145.04924	0.4
145.06448	0.3
145.10117	0.5
147.11696	1.6
151.07527	3.5
153.05473	2.4
159.11601	0.3
163.07462	0.3
163.14905	0.3
165.09087	1.6
165.12689	0.3
171.08029	0.6
177.05382	0.4
188.08305	0.4
189.05489	0.3
203.10640	3.0
219.06535	1.3
221.11806	0.5
237.07521	43.7
249.07533	1.0
267.08527	2.2
309.27737	0.5
327.15881	1.6
345.16721	0.3
512.25372	0.3
523.28528	1.4
524.28967	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02347	0.2
53.03939	2.4
55.01865	0.3
55.05502	5.4
57.03413	1.4
57.07052	1.1
59.04994	0.3
61.02914	0.4
63.09960	0.2
67.05494	2.4
68.98164	0.2
69.03417	5.0
69.07053	7.8
71.04974	5.0
71.08618	0.3
73.02895	0.2
73.06522	1.2
74.74959	0.2
76.56572	0.2
77.03899	0.5
79.05471	7.3
81.03399	8.5
81.07033	8.8
82.07339	0.3
83.04965	9.4
83.08587	2.3
85.02885	9.3
85.06532	1.9
91.05454	1.2
92.08789	0.5
92.09280	0.4
93.07024	2.8
95.04939	4.7
95.08581	8.1
96.08925	0.4
97.02867	8.1
97.06503	1.0
97.10146	1.3
99.04414	1.7
99.08069	0.9
101.05994	11.2
105.03369	100.0
105.06972	2.0
106.03682	0.4
107.04966	0.3
107.08577	3.4
108.08894	0.4
109.02858	5.2
109.06454	0.8
109.10136	4.6
111.04402	0.3
111.08055	0.5
111.11713	1.5
119.07006	1.3
119.08527	2.3
121.06489	0.4
121.10126	2.6
123.04401	16.2
123.08047	0.4
123.11682	2.2
127.03894	3.0
131.08531	0.5
133.10075	1.4
135.08005	0.4
135.11659	1.2
135.49731	0.2
136.70047	0.2
137.05983	0.3
137.13251	1.5
139.11143	0.5
143.08536	0.3
145.02756	0.3
145.04903	0.9
145.10117	1.1
145.37489	0.2
147.11662	1.1
149.13255	1.2
151.11200	0.4
151.14787	0.4
157.10046	0.3
159.11688	0.5
161.13252	0.5
163.11133	0.2
163.14819	0.5
175.11197	0.2
177.05414	0.4
187.14763	0.5
205.08549	0.5
223.09604	11.4
231.06500	0.5
241.10660	10.4
249.05124	0.3
249.07503	7.6
267.08560	10.4
279.26837	0.4
291.26776	0.5
297.27838	3.2
307.26230	0.8
308.26471	0.3
309.27893	3.1
327.28778	1.0
336.71973	0.2
364.70895	0.2
366.26556	0.2
523.28534	1.4
524.14752	0.3
524.29059	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01550	0.1
51.36633	0.1
52.08512	0.2
53.03936	1.7
55.01851	0.3
55.05507	1.6
57.03424	1.7
57.07063	0.4
59.04976	0.3
61.02908	0.8
64.33457	0.2
67.05489	1.5
68.05821	0.2
69.03407	4.8
69.07053	6.0
69.07643	0.2
70.06559	0.3
70.07378	0.3
71.04965	1.1
71.14670	0.2
71.71109	0.1
73.02881	1.2
75.28873	0.1
77.03901	0.3
78.15866	0.2
79.05463	1.8
81.03399	2.0
81.07034	4.0
82.07373	0.3
83.04951	0.3
83.08582	0.8
85.02880	4.0
85.06520	0.8
91.05454	6.0
92.08977	0.9
93.07013	2.1
95.04950	3.4
95.08578	2.9
96.08868	0.2
97.02869	8.6
97.06519	0.3
99.04461	1.2
99.08053	0.2
105.03367	100.0
105.06979	1.5
106.03710	0.9
107.08573	1.9
109.02861	0.9
109.06507	0.6
109.10127	2.0
111.11697	1.4
112.12010	0.2
113.09602	0.2
115.03914	0.2
117.06982	0.7
119.08555	0.8
121.10126	1.5
121.94875	0.2
123.04424	1.4
123.11663	1.5
124.12045	0.2
125.09599	0.3
127.03869	2.0
129.06941	0.2
131.04887	0.3
131.08536	0.3
133.10123	1.1
134.10378	0.2
134.93648	0.2
135.08051	0.3
135.11662	0.8
137.05962	0.8
137.13185	0.2
139.11127	0.7
142.09732	0.2
143.08595	0.3
145.04933	3.1
145.06487	0.3
145.10103	0.3
147.04387	0.7
147.11694	0.9
149.09622	0.3
149.13190	0.3
151.03902	0.2
151.11211	0.2
159.11609	0.2
161.09578	0.3
163.03862	0.4
164.04118	0.3
165.09053	0.3
165.12735	0.2
167.07051	0.2
171.08005	0.3
173.05940	0.2
181.04602	0.2
189.05450	1.4
201.05399	2.0
203.10658	0.9
219.06480	4.6
231.06435	0.2
237.07504	13.5
249.07626	0.8
267.08539	3.1
295.26221	0.3
296.26584	0.2
307.26248	1.4
308.26694	0.7
310.69604	0.2
325.27246	0.4
326.27719	0.3
523.28540	1.1
524.28961	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.6
54.12089	0.6
54.50471	0.6
55.01854	3.9
55.05502	11.4
57.03205	0.7
57.03431	10.1
58.05168	0.7
59.04980	0.9
60.04505	3.1
61.02916	5.6
61.03173	0.6
61.37849	0.7
67.23457	0.9
69.03420	17.5
70.06565	0.7
71.01331	1.6
71.04978	37.7
73.02891	4.7
75.04448	4.4
79.05453	0.8
79.25806	0.7
81.03404	8.2
82.06573	0.9
83.04966	93.4
84.04469	1.2
85.02890	100.0
86.06022	1.1
87.04456	1.9
91.03941	1.0
91.05463	10.1
93.07024	0.9
93.85500	0.8
95.04942	3.7
97.02872	22.2
97.06480	1.0
99.00816	6.9
99.04423	9.5
101.02314	0.8
101.06015	1.5
103.03902	0.9
105.03405	1.4
105.06992	1.5
107.04941	11.2
109.02864	11.2
111.04427	32.8
117.01856	1.0
117.68571	0.7
119.04925	19.6
121.02824	1.6
121.06458	2.9
123.04431	8.6
123.08050	0.9
127.03899	15.6
128.07037	1.9
129.05458	22.2
133.06438	3.6
135.04414	9.2
137.05940	6.1
140.04671	7.1
141.05429	3.0
141.06915	0.8
145.04933	10.8
145.06450	2.9
146.08104	9.4
147.04396	3.6
147.06511	6.1
149.05884	0.8
153.06960	1.7
155.07024	4.3
155.08531	3.1
163.03871	6.0
163.05977	1.3
164.04237	1.4
165.06975	7.5
165.09084	7.3
167.07076	1.6
170.05289	1.0
181.04913	3.6
183.07996	13.9
183.09538	1.0
193.06335	1.4
199.05957	6.1
207.08052	1.9
211.07547	9.2
225.03818	1.2
228.07774	1.3
229.08560	38.8
235.07542	5.8
237.07542	7.2
242.09352	1.8
249.07379	0.8
251.05238	1.1
253.08498	1.8
255.08553	6.9
263.07013	12.7
273.09583	5.4
281.08072	9.3
291.06314	3.3
308.13290	4.5
309.07410	8.8
327.08130	1.2
381.97018	0.7
408.82468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01863	1.2
55.05500	0.6
57.03428	0.8
57.07063	0.2
61.02919	1.1
62.61065	0.1
63.75248	0.1
65.03918	1.2
67.05486	0.9
68.99772	0.5
69.03419	3.9
69.07050	1.2
71.04975	0.8
72.32726	0.1
73.02900	1.5
79.05471	0.3
81.03400	4.4
81.07040	2.4
82.07377	0.2
83.01331	0.2
83.08598	0.4
85.02892	8.6
85.69296	0.1
87.00812	3.7
87.04439	0.2
91.05463	100.0
92.08840	0.8
93.07020	0.5
95.04939	0.5
95.08578	2.6
96.08939	0.2
97.02872	5.6
97.06551	0.2
97.10165	0.5
99.04447	1.8
105.01859	1.8
105.03372	2.2
105.07007	0.8
107.08575	0.6
109.02867	3.4
109.10149	1.2
110.10516	0.1
111.11716	0.1
117.01826	1.1
119.08560	0.2
121.10036	0.3
123.04367	0.2
123.11682	0.6
127.03892	4.7
129.01840	0.5
129.06992	0.5
131.08572	0.1
133.06427	0.1
133.10103	0.2
135.11632	0.2
137.02348	0.2
137.05975	0.5
137.09665	0.1
137.13287	0.2
142.73659	0.1
143.08569	0.2
143.10632	0.1
145.02858	0.2
145.04930	2.3
145.06165	0.2
147.11726	0.2
149.06087	0.1
151.03883	15.6
151.14857	0.5
159.02863	1.7
159.11600	0.1
161.05899	0.1
163.03900	2.2
163.14897	0.1
169.04897	0.2
175.03877	0.5
175.07608	0.2
177.05434	0.4
181.04944	1.0
181.06410	0.2
189.05472	0.8
191.03410	0.2
193.04904	2.4
195.02856	0.1
203.06992	1.4
217.04950	1.6
231.04958	0.5
240.59569	0.1
241.08545	2.1
259.06003	2.5
259.09637	5.3
267.08615	0.3
277.07037	0.6
283.09570	1.2
307.26208	0.5
308.26688	0.2
349.10538	0.1
363.06992	1.1
381.08112	0.7
399.09146	2.0
453.11731	0.2
489.14227	0.1
523.28967	0.3
524.28491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
53.35398	1.4
54.13872	1.6
55.01878	2.8
55.05505	15.7
57.03428	27.3
57.06807	2.9
57.07063	50.2
67.05492	24.1
69.03425	1.8
69.07044	11.5
71.04968	2.6
71.08610	29.7
79.05482	13.3
80.55796	1.8
81.03398	100.0
81.07031	28.3
83.04960	2.9
83.08601	20.1
83.87369	1.9
85.10180	16.6
86.09681	7.6
91.05457	18.9
92.08653	6.9
92.09284	10.1
93.07005	11.6
95.04947	24.2
95.08582	24.7
97.02862	2.2
97.10148	2.9
104.10726	4.4
104.20180	2.0
105.07035	16.6
107.04893	3.5
107.08570	8.4
109.06470	2.0
109.10141	8.7
111.08044	3.1
119.08562	14.8
121.10146	4.2
123.11646	2.8
129.06976	8.9
131.08551	9.2
133.06534	2.3
133.10069	3.6
147.11644	4.6
149.09662	2.8
157.10088	9.0
157.97961	2.3
175.11150	8.4
184.07330	7.6
193.12256	20.8
218.69449	2.0
267.15875	57.3
313.27313	56.3
505.38760	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	523.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	19.9
57.03411	12.6
57.07062	54.5
59.19320	2.1
67.05483	28.7
69.03439	2.4
69.07039	13.4
71.04974	3.3
71.08616	30.7
79.05464	21.6
81.03387	43.0
81.07020	39.9
82.45492	2.9
83.04960	14.2
83.08583	21.7
83.86720	2.6
85.02900	20.8
85.10159	12.5
90.30338	2.6
91.05456	27.7
93.07005	17.1
95.04932	21.8
95.08562	27.0
105.06985	17.1
107.08567	5.0
109.10112	11.7
115.69501	2.6
117.86725	2.4
119.08534	14.7
121.10100	5.3
123.11691	2.8
129.06966	5.5
131.08553	4.1
133.10077	10.8
135.23099	2.8
141.22151	2.6
147.11638	3.4
149.09581	5.0
157.10081	5.8
175.11180	3.3
178.38911	2.2
193.12254	17.8
211.13321	18.9
212.56931	2.8
267.15811	6.2
313.27277	20.0
346.36624	3.0
505.38651	5.4
523.32220	4.4
523.39893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.8
53.03940	1.6
53.88948	0.8
55.01864	1.3
55.05506	27.7
57.03421	19.5
57.07067	66.0
65.03952	1.1
67.05489	35.5
69.03423	2.5
69.07061	15.1
71.04987	4.6
71.08614	44.5
79.05475	24.6
81.03400	65.4
81.03874	2.1
81.07040	46.7
83.04971	11.3
83.08607	31.8
85.02892	22.6
85.06589	1.0
85.10172	18.3
91.05466	26.4
92.08992	10.9
93.07023	17.6
95.04951	28.1
95.08585	35.9
96.58807	1.1
97.06512	1.9
97.10164	7.4
105.07010	25.1
107.04949	5.1
107.08598	7.1
109.06518	2.2
109.10133	15.5
111.04414	1.6
111.08080	6.4
113.06008	1.7
115.05465	1.6
117.07045	1.8
119.08569	18.4
120.42525	1.1
121.06409	1.3
121.10134	7.2
123.11727	4.8
129.07011	8.6
131.08527	10.1
133.06454	1.7
133.10139	6.2
137.09583	1.3
142.07782	4.5
147.08034	1.6
147.11682	9.7
149.09569	4.2
149.64188	1.3
157.10088	11.6
165.12723	1.7
175.11226	7.2
193.12209	26.1
211.13269	20.8
239.23671	3.9
267.15854	14.8
313.27301	14.6
505.38892	8.6
523.39862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43011	0.5
53.03926	0.7
54.81600	0.5
55.01865	1.4
55.05503	17.2
57.03418	2.4
57.07065	6.0
57.83113	0.5
59.04977	2.7
67.05491	14.5
68.40234	0.6
69.03416	5.3
69.07055	100.0
71.05003	4.0
71.08616	1.3
73.06557	0.5
79.05466	6.9
81.03413	1.0
81.07036	56.7
82.10930	0.6
83.04977	2.5
83.08600	11.0
85.02869	4.3
85.06527	10.7
91.05461	5.4
92.09158	2.2
93.07020	23.7
95.04961	3.6
95.08584	38.5
97.02862	1.1
97.06506	6.6
97.10170	3.3
99.04409	0.7
99.08073	4.9
101.06001	3.7
104.13810	0.6
105.03356	4.4
105.07005	10.4
107.04950	0.8
107.08575	19.1
109.06497	1.2
109.10139	23.7
111.08066	5.0
111.11700	22.6
117.07023	0.7
119.08571	7.6
121.10119	14.6
123.08051	1.1
123.11684	21.9
125.09599	0.8
127.11132	2.5
129.12737	1.1
131.08569	1.0
133.10143	4.8
135.11670	10.7
137.09592	0.8
137.13228	4.3
139.11153	13.0
145.10094	2.9
147.11647	4.8
149.13222	5.7
151.11183	3.4
151.14809	2.4
153.12758	4.7
154.38097	0.6
157.12238	3.3
159.11644	4.5
161.13243	3.0
163.14731	2.4
165.12752	2.9
167.14328	0.7
173.13257	0.9
175.14720	0.7
177.16321	0.8
187.14796	0.7
237.18446	2.3
260.76465	0.6
277.25262	1.3
289.25198	5.7
295.26266	12.4
307.26236	24.9
313.27374	1.2
325.27310	32.2
343.28418	2.5
386.24786	0.7
394.52271	0.8
523.28668	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81012	0.5
53.00291	0.8
53.03940	0.8
55.01860	0.5
55.05273	0.8
55.05507	15.4
57.03426	2.5
57.07065	5.0
57.91698	0.6
59.04984	2.6
63.31112	0.5
67.05492	12.0
67.37852	0.6
69.03402	3.3
69.07054	100.0
71.04962	1.6
73.06538	1.0
79.05460	4.7
81.07037	41.1
81.16090	0.6
83.04966	1.2
83.08601	9.5
85.02879	3.2
85.06539	4.8
85.16869	0.6
91.05465	1.3
92.08852	0.7
93.07015	10.8
95.04945	1.3
95.08582	25.9
97.02863	0.9
97.06504	4.9
97.10135	3.2
99.08070	4.3
101.06017	0.7
105.03350	1.1
105.07015	6.1
107.08568	10.5
109.06518	1.2
109.10147	20.1
111.08068	1.5
111.11706	17.2
113.09595	0.8
119.08546	4.3
121.10116	9.8
123.08068	2.6
123.11687	21.9
127.07655	0.7
127.11164	1.5
129.12682	1.1
133.10080	3.4
135.11668	4.3
137.09575	1.2
137.13272	1.1
139.11160	12.8
145.10095	1.3
147.11676	2.9
149.13229	4.9
151.14786	2.4
153.12701	1.5
157.12239	1.3
159.11664	2.9
161.13194	2.7
163.14798	2.4
165.12686	1.5
167.14282	1.3
173.13223	1.1
179.14330	6.4
191.17880	0.8
193.15901	1.0
217.35063	0.8
219.17197	0.9
237.18428	1.4
251.20068	1.0
269.94424	0.7
277.25150	1.0
289.25122	5.6
295.26266	24.5
307.22665	1.6
307.26248	47.8
313.27335	0.9
325.27310	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	523.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79115	0.6
53.00291	0.9
55.01867	0.8
55.05505	22.0
56.44064	0.8
57.03428	1.6
57.07066	8.1
59.04977	0.8
65.03913	0.8
65.89751	0.5
66.19474	0.5
67.05495	17.1
69.03419	4.9
69.07055	100.0
70.07402	0.8
71.04977	3.1
71.08618	0.9
73.02923	0.9
79.05473	8.6
79.71355	0.6
81.03395	1.7
81.07037	54.9
83.04977	3.3
83.08605	18.3
85.02879	4.8
85.06532	9.9
85.10188	0.8
91.05458	4.7
92.08688	1.8
92.09269	1.7
93.07018	18.6
95.04937	8.0
95.08587	44.2
97.02872	1.6
97.06492	6.6
97.10134	5.8
99.04416	0.8
99.08059	5.6
105.03394	9.2
105.07011	12.4
107.08586	20.1
109.06501	4.3
109.09399	1.0
109.10145	30.3
111.08080	4.7
111.11710	21.0
113.09634	0.8
117.06984	0.8
119.08556	10.1
119.51046	0.7
121.06446	1.2
121.10102	13.7
123.08006	1.7
123.11683	22.0
125.09577	1.7
127.11189	3.5
129.12773	1.0
131.08575	1.3
133.10097	6.9
135.08076	0.8
135.11662	7.8
137.09612	3.4
137.13242	3.7
139.11163	13.4
144.36427	0.7
145.10077	3.0
146.21269	0.9
147.11678	5.1
149.05840	0.8
149.13213	5.8
151.11203	1.3
151.14792	2.8
153.12691	1.0
157.12259	3.8
159.11694	3.4
161.13226	4.2
163.14827	2.9
165.12715	0.8
167.14268	1.1
173.13231	1.2
175.14772	2.9
177.12695	0.8
177.16318	1.6
179.14294	1.1
187.14793	1.1
189.16347	2.6
191.17921	0.8
203.17801	1.2
226.36815	0.7
271.24084	0.9
277.25104	2.3
289.25110	7.6
295.26260	17.8
307.26270	27.4
313.27328	3.3
325.23749	1.4
325.27322	22.9
326.27902	0.8
343.28461	1.0
348.61029	0.7
393.63980	0.7
506.44519	0.8
523.28436	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	523.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76654	1.7
53.00288	3.3
53.03938	3.9
55.01870	4.0
55.05499	20.2
57.07053	3.5
61.46024	2.1
67.05492	18.3
69.03410	10.7
69.07052	16.1
71.04977	12.3
71.63226	2.0
78.20567	2.4
79.05480	28.9
81.03394	11.1
81.07039	100.0
83.08595	14.3
84.68602	2.5
85.02885	16.3
91.05436	20.4
93.07029	31.3
95.04926	11.4
95.08582	22.8
97.02860	3.7
97.10159	14.4
99.08096	4.2
105.03373	82.5
105.07019	27.1
106.03687	2.7
107.04951	4.1
107.08575	54.2
109.06487	5.8
109.10120	21.1
117.45320	2.5
119.08555	29.6
121.06514	5.9
121.10126	13.3
123.04411	11.7
123.11684	11.5
125.09611	9.9
127.03902	4.8
127.11176	2.7
131.08545	5.4
133.10089	28.7
135.08057	2.7
135.11658	55.2
137.06010	2.3
143.10654	13.4
145.10129	5.7
147.11699	16.3
159.11676	3.2
161.09651	3.8
161.13298	3.8
163.14716	2.4
169.09993	2.7
175.00159	2.3
175.14745	3.8
191.71222	2.9
203.17841	23.8
221.18970	30.2
225.89777	2.3
239.20143	3.6
267.08643	10.2
361.23547	3.3
473.24930	4.5
491.26151	5.1
505.27661	9.6
513.06116	2.7
523.29028	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	523.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.5
55.01862	4.7
55.05513	10.7
57.03423	6.8
61.05109	1.0
67.05495	27.9
69.03413	19.4
69.07058	15.7
71.04974	7.7
71.84678	1.0
79.05468	18.9
79.60320	1.0
81.03400	40.0
81.07037	88.1
82.82030	1.0
83.04970	10.5
83.08598	12.5
84.56008	1.2
85.02889	11.1
85.06516	6.1
86.64647	1.3
91.05464	27.6
92.05780	1.2
92.08565	1.3
92.09106	6.2
93.07026	20.0
95.04932	7.7
95.08588	19.8
97.02868	13.0
97.06514	7.6
97.10131	1.6
99.04472	8.0
99.08084	2.6
105.03372	17.9
105.07005	52.0
106.03678	2.0
107.04901	1.3
107.08566	21.2
108.08900	1.4
109.02865	20.7
109.06490	7.7
109.10118	6.5
116.04963	5.2
117.06985	2.3
119.08554	46.1
121.10120	37.6
123.08048	6.7
123.11674	31.3
127.03886	25.8
127.07507	2.9
129.07014	1.6
130.92615	1.4
131.08551	5.5
133.10101	11.7
135.11696	2.7
137.09515	1.7
137.13222	1.9
141.09032	1.5
142.07764	1.2
143.08566	1.4
145.04903	1.2
145.10078	6.7
147.11664	100.0
148.11905	1.2
149.09601	2.3
149.13234	1.9
157.10077	7.1
159.11673	2.3
165.12718	42.9
171.11555	4.2
175.07565	1.4
175.11148	7.2
183.13776	8.2
185.13226	1.3
187.14774	1.3
189.16219	1.3
193.12247	9.5
203.17908	1.6
211.13286	7.1
229.12050	1.6
229.14297	46.9
253.14690	1.3
253.17923	1.1
319.15393	5.5
337.16400	27.9
355.13336	2.1
355.17422	37.8
373.18549	5.9
523.28735	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	523.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.00287	0.3
53.03939	3.6
54.14433	0.2
55.01856	0.7
55.05505	1.6
56.96548	0.3
57.03431	3.8
57.07066	0.2
59.04986	0.3
61.02901	0.2
61.88277	0.2
67.05490	2.1
69.03416	17.6
69.07057	3.0
70.06556	0.2
71.01335	0.8
71.04981	1.9
77.03908	0.8
79.05476	8.2
81.02928	0.4
81.03398	10.4
81.07040	4.7
83.04948	0.4
83.08604	0.9
85.02886	6.8
85.06525	0.8
87.04444	1.7
91.05479	1.6
92.09114	0.2
93.07013	2.7
94.07332	0.2
95.04948	6.9
95.08576	3.0
97.02872	3.5
97.06484	0.8
97.10156	0.2
98.97544	1.5
99.04433	9.8
99.08038	0.3
105.03373	100.0
105.06976	2.7
107.04928	0.2
107.08570	2.9
109.02864	3.5
109.06501	1.1
109.10137	2.7
111.08057	0.4
111.11688	0.3
116.98617	0.9
117.05473	6.6
117.06924	0.2
119.08549	1.7
121.10111	1.5
123.04402	11.8
123.08054	0.4
123.11687	1.1
123.76698	0.2
125.05891	0.3
125.09608	1.3
127.03874	2.5
128.98544	0.3
131.08513	0.3
133.10095	1.9
135.04340	0.3
135.06499	3.4
135.11661	1.8
137.05934	2.6
137.09590	0.8
137.13271	0.3
138.06374	0.3
143.08568	0.3
144.98122	0.2
145.02814	0.2
145.04900	0.3
145.10075	1.1
147.11658	1.2
149.13266	0.3
151.11198	0.3
157.10138	0.4
159.08020	0.3
159.11630	0.3
161.01073	0.2
161.09621	0.7
161.13177	0.3
163.03891	0.9
163.14804	0.2
170.99724	0.2
173.13148	0.3
175.14868	0.7
177.00606	0.2
177.05440	0.8
193.12184	0.2
193.15881	0.3
201.09102	0.4
202.09465	0.3
203.07077	0.3
219.01886	0.3
221.18970	0.2
231.06625	0.2
237.02869	1.0
239.09097	8.6
249.07506	4.6
257.10172	3.7
267.08566	4.3
269.06595	0.2
289.25156	0.2
295.26303	0.4
307.26245	1.2
312.94791	0.2
325.27252	0.4
331.13828	0.2
343.22195	0.3
343.28781	0.3
345.24075	0.3
349.15363	1.1
434.88358	0.2
463.18561	1.9
523.28680	11.2
544.15594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.3
55.01846	0.4
55.05491	1.6
57.03410	1.4
59.04977	0.3
61.02906	1.1
65.03905	0.3
67.05476	1.7
68.02631	0.5
69.03408	3.3
69.07027	1.2
70.03739	0.2
71.01331	1.2
71.04960	0.6
72.08124	0.3
73.02887	2.0
79.05469	3.1
81.03391	1.5
81.07035	2.0
83.04951	2.8
83.08587	0.3
85.02892	7.0
85.06489	0.5
89.03896	6.0
91.05455	2.4
93.03381	0.3
93.07027	2.0
95.04942	2.8
95.08588	2.3
97.02856	2.0
97.06499	0.5
98.03671	0.4
99.04411	0.6
99.08032	0.3
105.03349	1.2
105.07002	2.4
106.07297	0.4
107.04931	3.7
107.08558	2.1
108.08934	0.3
109.02859	2.8
109.06511	1.1
109.10128	1.2
111.04440	2.4
111.07988	0.4
113.02344	0.3
113.05982	2.4
114.37911	0.3
115.03905	0.4
115.98524	0.3
117.03360	10.3
117.06992	0.6
119.04899	0.7
119.08569	3.4
120.08069	0.5
120.08853	0.7
121.06471	0.6
121.10119	2.7
122.10487	0.3
123.04369	0.3
123.08047	0.6
125.05972	0.4
127.03861	1.4
128.08510	0.3
129.05406	0.3
129.06969	1.3
131.08543	1.6
133.10085	4.0
134.10442	0.5
135.04384	24.4
135.07979	1.3
135.11633	0.6
137.02325	0.5
137.05956	1.8
137.09578	0.5
139.03889	2.6
140.04605	0.4
141.05438	11.6
143.06972	0.4
143.08539	1.1
145.02829	15.1
145.06432	0.3
145.10077	2.1
147.04379	1.3
147.06535	0.4
147.07954	0.4
147.11665	2.3
148.11990	0.5
149.00586	0.3
149.05974	0.5
149.09599	0.6
151.03802	0.3
151.07544	1.2
154.02567	3.5
155.07007	0.5
156.43999	0.3
157.06459	0.6
157.10110	0.6
159.11688	1.7
160.11963	0.4
161.05972	1.5
161.09595	0.6
161.13203	0.4
163.03868	100.0
164.07089	0.3
164.09245	0.3
167.06992	1.7
169.04933	9.7
171.11589	0.6
173.13206	1.4
174.06807	0.3
175.03961	0.5
175.14809	3.4
176.15134	0.7
177.00034	0.4
177.05432	1.1
177.09024	0.5
179.06993	0.3
181.04939	0.7
181.08519	0.7
185.09467	0.5
185.13277	0.5
187.11115	0.5
187.14752	1.2
189.09024	1.1
189.12703	0.5
191.10860	0.3
191.14178	0.3
193.15851	1.3
194.16190	0.3
195.11723	0.3
199.14864	0.6
201.09085	0.4
207.06477	1.4
207.10165	0.6
219.10054	2.1
227.09100	0.5
228.09319	0.3
239.03343	0.5
249.07553	0.4
256.03708	0.5
257.04388	0.3
267.02707	0.4
271.05896	0.4
271.16907	0.6
272.17307	0.4
285.03754	0.3
289.17856	1.7
299.05432	1.1
307.18802	3.2
308.19272	1.4
325.19897	1.1
331.08047	12.8
361.16425	2.2
367.34003	0.3
429.15067	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	3.8
55.05490	12.0
56.84103	1.7
57.03411	3.3
57.07056	3.5
57.28175	1.9
65.64589	2.4
67.05488	24.6
69.03400	11.2
69.07056	21.8
71.04959	2.5
72.16196	1.7
76.56750	2.2
79.05484	24.7
81.03395	12.6
81.07036	49.4
83.04934	3.9
83.08596	9.6
85.02898	8.5
85.06520	7.7
88.66284	1.8
89.01621	1.7
91.05443	19.5
92.08907	1.8
93.07024	48.9
95.04931	16.2
95.08583	60.9
97.02850	11.3
97.06512	3.2
97.10156	3.2
97.20865	1.7
99.04410	3.7
105.03367	81.1
105.04426	2.2
105.07008	69.6
107.08574	77.1
109.02855	8.3
109.06508	11.2
109.10146	42.8
111.08054	3.8
117.06998	8.7
119.08551	100.0
121.06472	8.0
121.10114	46.7
123.04390	8.9
123.08015	8.4
123.11662	10.7
125.09579	4.1
127.03895	4.3
131.08525	23.1
133.10101	64.2
134.15921	2.5
135.08023	11.0
135.11613	21.9
137.09612	3.5
142.07747	2.2
143.08522	14.0
145.10097	44.9
147.08003	2.3
147.11665	47.2
149.09520	3.8
149.13243	22.7
153.09090	3.6
156.09299	3.3
157.10123	15.2
159.07986	2.1
159.11700	29.2
161.09563	10.7
161.13222	22.7
163.11168	4.3
163.14767	17.9
165.09015	3.2
169.10138	4.3
171.11659	15.0
173.09492	3.0
173.13211	28.6
175.11176	8.3
175.14734	30.0
177.12715	4.2
177.16331	20.1
183.11623	5.0
185.13205	12.4
187.14778	51.7
189.12747	3.2
189.16338	48.1
190.97423	2.0
191.17924	4.7
193.12175	2.4
193.15970	2.1
197.13202	8.0
199.14743	16.7
201.16327	35.7
203.14255	3.2
203.17917	38.1
205.12308	2.0
205.15828	3.0
209.01540	2.6
211.14890	2.5
213.16402	8.9
215.14281	3.8
215.17923	14.8
217.15855	12.5
217.19370	3.0
219.17479	3.8
223.14836	2.4
227.17790	2.6
229.15779	3.3
229.19539	14.0
231.17415	4.0
233.15407	2.6
235.16855	10.3
247.16769	8.6
249.07469	8.9
261.18564	3.8
267.08472	9.4
336.84967	2.2
393.31436	4.7
405.31354	15.0
421.30786	8.3
423.32510	51.1
433.30911	3.8
439.31757	7.8
441.33636	17.6
448.42850	2.1
451.31943	33.6
457.32126	3.4
469.33093	68.3
487.33731	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	522.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.05501	21.0
57.03409	1.6
57.07067	8.8
62.75384	1.7
63.41542	1.5
67.05499	26.5
69.03420	3.3
69.07053	19.4
79.05478	18.8
81.03404	2.2
81.07038	44.3
81.77605	1.8
83.04967	7.6
83.08604	16.3
84.05510	1.9
85.06512	2.2
91.05473	23.3
93.07029	52.4
95.04960	4.6
95.08587	77.0
97.06497	3.9
97.10142	4.5
99.08067	2.5
101.11330	1.8
105.03352	13.6
105.07014	65.8
107.04927	1.7
107.08575	83.3
109.06521	11.7
109.10146	49.6
111.08066	8.7
117.06999	13.2
119.08556	100.0
119.09389	3.8
121.06467	7.9
121.08848	2.0
121.10120	67.5
122.64986	2.1
123.08063	6.9
123.11692	21.9
125.09573	2.8
131.08563	33.7
133.10104	78.5
135.08089	7.8
135.11661	39.5
137.09641	8.7
137.13272	3.6
139.07486	2.1
142.07758	3.7
143.08569	7.1
145.10110	66.4
145.11215	3.0
147.08052	4.0
147.11674	46.6
149.09605	17.4
149.13243	20.1
151.11198	2.1
153.09119	3.5
157.10081	14.1
159.07994	2.8
159.11671	53.8
161.09608	4.0
161.13243	25.9
163.07480	2.5
163.11142	10.1
163.14803	19.2
165.12704	3.7
171.11681	9.2
173.13226	25.7
175.11189	2.7
175.14781	34.1
177.09065	12.7
177.12746	2.5
177.16330	25.9
183.11604	2.4
185.13225	9.6
186.13934	2.4
187.14798	53.5
189.16325	47.6
191.14261	3.2
191.17900	19.0
193.15802	3.5
195.13860	2.0
197.13170	2.0
199.14827	9.0
201.16356	78.1
203.14320	3.1
203.17932	10.6
205.15848	52.9
207.17471	3.5
211.14850	2.3
213.16386	7.9
215.14349	2.3
215.17918	4.3
217.15842	9.7
219.17381	25.0
223.16922	11.0
227.17990	2.7
229.15826	4.4
229.19568	3.7
231.17484	3.0
233.15373	6.6
235.16960	12.3
237.18402	10.2
239.18231	2.2
241.19630	2.4
247.16876	42.8
251.16357	16.4
255.21056	3.3
333.24103	8.9
407.33124	19.4
423.32651	6.6
425.34106	20.6
435.32434	18.1
441.33447	8.0
453.33435	10.7
469.33008	3.6
471.34729	40.3
487.34390	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	522.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.0
57.03426	3.4
57.07059	8.1
59.04994	2.2
63.85886	1.3
67.05489	22.2
69.03425	2.0
69.07046	29.9
69.25710	1.6
70.06577	12.2
71.95162	1.6
79.05473	24.8
81.03411	1.5
81.07040	51.1
83.04968	8.0
83.08610	18.7
85.06539	3.9
91.05466	16.5
92.08952	6.8
93.07026	53.1
95.04942	8.6
95.08586	71.8
97.06554	2.3
97.10147	7.8
105.03367	21.0
105.07009	71.1
107.08575	79.9
108.02746	1.6
109.06502	9.9
109.10141	46.8
111.08064	7.4
113.09639	1.7
117.06995	9.0
119.08565	96.4
121.06481	3.7
121.10121	70.5
123.04443	1.9
123.08041	6.6
123.11673	19.5
126.74841	1.6
129.06998	3.6
130.07751	2.8
131.08554	36.3
133.10104	70.3
135.08070	7.5
135.11685	50.1
137.09656	6.6
137.13208	7.2
143.08522	10.1
144.09377	1.7
145.10112	78.2
147.08000	3.2
147.11665	54.2
149.09595	14.9
149.13264	21.3
151.07585	2.0
151.11230	2.0
156.09412	2.1
157.10106	14.1
158.10875	3.3
159.11661	55.6
161.09552	7.5
161.13257	30.2
163.11177	14.8
163.12308	1.7
163.14836	23.6
165.12709	3.3
167.10771	1.9
169.10062	2.5
171.11662	12.9
172.12477	2.7
173.13261	23.8
175.14793	40.2
177.09093	2.8
177.12773	7.4
177.16365	23.2
179.10733	2.0
179.14340	2.5
179.52504	1.8
185.13228	9.9
187.14771	61.1
189.12727	2.4
189.16341	81.3
191.14265	3.3
191.17924	10.9
193.15860	6.5
195.13809	3.2
199.14838	10.0
201.14493	3.5
201.16360	100.0
203.17964	15.3
205.15826	60.8
205.19467	2.1
207.17401	18.1
211.14787	2.6
213.16370	8.3
215.17892	12.2
217.15865	7.2
219.17401	24.0
220.41946	1.6
223.16896	31.7
227.17824	1.6
229.19478	8.2
231.17307	2.9
235.16957	14.3
237.18423	10.2
239.16132	2.2
241.19539	3.9
243.21068	3.3
247.16879	28.7
251.16368	25.4
253.19487	1.7
255.21033	8.3
261.18454	1.8
269.22348	2.2
311.23181	1.7
337.26306	7.9
367.48615	1.9
377.31982	2.4
389.31995	3.8
395.33029	1.8
405.31351	2.1
407.33035	29.9
413.34055	6.8
423.32333	8.9
425.34039	10.8
435.32547	18.9
441.33505	9.6
453.33514	16.0
459.34573	7.8
471.34662	44.7
484.90616	1.9
487.34070	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	522.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.5
57.03443	2.2
57.07056	4.4
57.48572	1.6
67.05496	19.8
69.03410	3.9
69.07054	24.9
70.06584	16.0
71.04978	2.7
79.05478	25.0
81.03385	2.0
81.07037	45.9
83.04961	10.0
83.08596	12.9
85.06532	3.7
91.05455	22.5
92.09019	8.5
92.47770	2.1
93.07021	51.7
95.04959	4.4
95.08583	62.6
97.06538	2.5
97.10143	7.3
99.08092	2.8
105.03374	25.9
105.07015	56.9
107.04905	2.4
107.08581	79.5
109.06526	8.9
109.10143	42.5
111.08070	7.3
117.06995	9.2
119.03360	1.7
119.07704	4.0
119.08559	100.0
121.06485	3.7
121.10120	69.2
123.04385	3.3
123.08028	8.7
123.11671	22.3
125.09531	2.7
129.06982	2.2
131.08548	28.4
133.10112	60.4
135.08037	4.1
135.11673	48.3
137.09586	7.3
137.13235	2.3
143.08556	12.4
144.09309	2.5
145.10100	62.4
147.11681	43.1
149.09605	9.1
149.13232	16.2
151.11151	3.4
153.09091	3.0
157.10091	13.6
159.11668	47.6
161.09598	3.2
161.13216	32.4
163.11168	13.1
163.14830	19.6
165.09145	2.1
165.12770	2.0
171.11641	10.1
172.12434	2.9
173.13194	23.3
175.11076	3.5
175.14789	42.2
177.08916	2.3
177.12732	4.0
177.16364	23.2
179.10646	3.3
183.11671	3.5
185.13226	8.8
187.14795	58.5
189.16359	75.1
191.14296	4.2
191.17941	10.8
193.15837	3.1
199.13153	2.0
199.14786	15.6
201.16351	99.2
203.14302	2.4
203.17871	12.7
205.15854	49.2
207.17372	23.3
211.14844	2.5
213.16324	3.3
215.14049	2.0
215.17902	15.1
217.15851	3.5
217.19672	2.2
219.17393	26.9
220.30382	1.9
223.16956	10.6
227.17903	2.4
229.15796	2.5
229.19469	9.3
231.17522	3.8
231.21242	1.9
233.15469	2.3
233.18987	2.6
235.16814	16.7
237.18495	4.1
239.18092	2.1
241.19455	8.1
243.21042	2.4
247.16882	23.4
249.07440	2.2
251.16333	16.7
255.21043	4.3
267.08566	2.5
273.18555	2.3
337.25986	2.3
389.31815	2.1
395.33377	2.5
407.32941	24.3
413.33990	11.3
423.32660	8.9
425.33942	10.2
435.32639	18.2
441.33563	8.7
453.33627	17.7
459.34308	9.3
471.34732	30.7
487.34595	15.8
505.35312	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	522.3552
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05506	3.3
56.05022	0.6
57.03428	0.5
57.07056	1.5
58.06589	1.2
60.08151	21.3
67.05492	2.2
68.89202	0.3
69.07053	4.4
70.88105	0.2
71.07355	9.0
79.05463	1.1
81.07051	2.6
83.08604	2.5
86.09691	68.7
87.47152	0.3
92.08881	0.5
93.07015	1.5
95.08587	2.5
97.10140	0.7
98.98445	5.1
101.24382	0.3
104.10725	94.7
107.08594	1.1
109.10136	0.6
109.21787	0.3
121.10098	1.7
124.99980	41.0
133.52812	0.3
135.11652	1.1
149.13136	0.3
163.01527	0.6
184.07306	100.0
185.07564	0.3
251.23705	0.3
258.10843	0.5
309.74203	0.3
327.70328	0.3
339.28879	1.4
446.75339	0.3
504.34375	7.5
522.35449	34.6
523.35461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99789	0.1
55.05489	0.6
56.05034	0.2
56.65076	0.1
57.03421	0.5
57.07065	0.1
58.06598	0.2
60.08151	9.0
63.38863	0.1
67.05486	0.7
69.03403	0.1
69.07047	0.7
69.58535	0.1
71.07353	3.6
79.05469	0.3
81.07025	0.5
83.08579	0.2
86.09686	46.4
92.08724	0.7
92.09345	0.4
93.07031	0.5
95.08571	0.8
97.10143	0.2
98.98438	3.7
104.10724	3.5
105.07011	0.2
107.08540	0.2
119.08547	0.2
121.09973	0.1
124.99975	34.8
133.10083	0.2
141.55066	0.1
143.01036	0.3
184.07298	100.0
185.07713	0.2
188.12270	0.1
339.28787	0.2
504.34146	0.9
522.28070	0.2
522.35400	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	522.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47264	0.3
53.00267	0.4
53.03942	4.7
55.05504	4.9
57.03412	0.5
57.07073	0.3
65.03920	0.3
67.05492	10.7
69.03416	6.7
69.07061	4.0
71.04975	0.7
75.64390	0.3
77.03907	0.4
79.05470	11.5
81.03400	14.2
81.07037	22.3
83.04965	0.3
83.08598	0.7
85.02891	8.2
91.05461	8.7
92.08932	0.4
93.06417	0.4
93.07022	16.6
95.04953	7.6
95.08585	22.9
97.02867	8.6
97.06506	0.3
97.10130	0.5
99.04419	1.6
103.05437	0.4
105.03374	100.0
105.07012	31.1
105.07738	0.7
106.03702	0.7
107.08576	27.2
109.02876	7.0
109.06493	1.6
109.10139	15.8
111.11726	0.3
117.07016	0.7
117.62354	0.3
119.06106	0.3
119.08559	20.2
121.10123	8.5
122.30412	0.3
123.04410	8.2
123.11673	3.0
127.03896	5.5
131.08575	2.0
133.10097	12.2
135.11665	5.4
137.13217	0.4
138.69081	0.3
145.04955	1.4
145.10080	3.1
146.10423	0.5
147.11670	17.2
149.13255	0.6
159.11667	1.8
160.12051	0.5
161.13239	5.3
163.14784	1.3
173.13216	0.5
175.14847	2.3
175.58922	0.3
187.14722	0.4
189.16483	0.3
201.16409	0.6
202.16724	0.5
203.17917	16.0
215.17891	0.3
221.19116	0.5
235.16777	0.3
248.04126	0.4
249.00946	0.3
249.07529	13.6
267.08588	8.5
267.11493	0.4
338.20932	0.3
469.32260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53992	0.6
53.03940	1.7
53.05950	0.6
54.44654	1.0
55.05495	4.8
55.14838	0.6
57.03433	1.0
57.07052	1.0
59.04979	0.7
67.05493	9.0
69.03416	7.7
69.07057	9.3
71.04971	1.7
79.00596	0.7
79.05467	10.3
81.03401	9.5
81.07039	20.4
83.04986	1.4
83.08605	3.3
85.02893	11.0
85.06485	0.8
91.05464	11.3
92.09171	5.4
93.07024	13.6
95.04950	4.8
95.08585	33.3
97.02872	4.7
97.06520	1.1
99.08140	0.8
102.88857	0.8
103.89071	0.8
105.03368	73.3
105.07011	45.6
106.03713	1.5
107.08582	19.9
108.04523	0.9
109.02870	4.2
109.06522	1.4
109.10136	27.2
119.08556	38.5
121.10114	14.8
123.04399	13.0
123.08032	1.0
123.11662	9.8
127.03893	4.8
129.06915	0.9
131.08562	5.3
133.10120	23.1
135.08073	1.3
135.11700	5.5
143.08560	1.8
145.10089	7.0
147.11668	85.5
149.13272	1.0
152.03000	0.7
157.10178	1.4
159.11699	4.0
160.12375	1.1
161.13246	13.6
163.14771	1.4
173.13237	1.2
175.14825	4.4
177.16362	1.5
178.38895	0.9
203.17921	100.0
205.15900	1.7
221.09476	0.8
221.18979	14.1
249.07530	7.9
267.08514	19.8
527.03180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01867	7.3
55.05502	10.3
57.03429	40.3
57.07067	3.1
58.25883	1.7
58.27884	1.6
59.04994	2.2
61.02913	22.6
65.88898	1.9
66.81696	1.8
67.05495	12.6
69.03410	36.4
69.07041	15.4
71.01344	9.5
71.04971	3.5
72.20837	2.0
73.02899	57.6
74.40588	1.7
76.24390	1.6
77.34846	1.7
79.05474	12.9
80.17611	1.8
81.03399	11.6
81.07034	25.5
83.04959	13.4
83.08610	7.0
85.02885	100.0
85.06544	8.3
86.09718	3.1
87.04457	10.5
91.03960	3.1
91.05431	14.0
92.08939	4.1
93.07018	26.6
95.04952	20.2
95.08576	28.8
95.24306	2.1
97.02872	27.1
97.06519	9.1
99.04435	10.2
103.03928	7.3
105.03376	17.7
105.07011	37.3
105.07665	2.7
107.04947	3.8
107.08580	42.1
109.02887	7.2
109.06517	12.7
109.10124	25.8
111.04450	13.0
111.08071	3.1
113.36089	1.9
115.03894	17.8
115.64214	2.6
117.07003	8.0
119.04929	4.4
119.08549	68.9
121.06506	9.5
121.10120	49.5
122.37412	1.9
123.04405	2.7
123.08049	8.0
123.11703	9.5
125.05984	8.8
127.03859	3.3
129.05473	10.4
129.06978	3.2
131.08540	24.0
133.04964	3.7
133.06488	4.4
133.10106	73.6
133.11154	2.4
135.08035	10.8
135.11688	10.2
137.05936	2.3
137.09604	7.3
139.07527	2.5
143.07002	9.2
143.08563	11.1
145.02859	3.3
145.04996	2.6
145.06502	2.2
145.10106	35.7
147.06563	14.4
147.08015	8.7
147.11661	43.8
149.09615	8.9
149.13240	2.9
151.07555	2.0
155.08488	6.7
156.09341	3.6
157.10066	20.4
158.10927	2.8
159.08014	4.1
159.11667	28.0
159.63318	1.9
160.12486	2.9
161.09563	8.7
161.13228	3.9
163.07439	1.9
163.11217	3.8
165.09044	2.1
165.12747	3.1
166.04964	11.3
167.10594	2.9
169.10112	9.4
170.10957	4.4
171.11618	12.8
173.09589	9.8
173.13231	43.7
174.32085	1.8
175.03833	2.8
175.11252	2.8
175.14783	80.6
177.05489	9.7
177.16336	2.3
181.10046	2.1
182.10884	2.1
183.11636	2.9
184.06015	2.6
185.13202	17.8
187.11191	7.7
187.14777	29.6
189.16341	9.2
191.14268	3.3
193.10135	2.1
193.15866	18.8
197.13310	2.7
199.14845	10.8
201.16443	2.0
203.10603	2.5
209.13272	2.2
211.14821	8.4
215.10854	2.4
215.14131	2.0
217.15825	10.8
223.14986	2.1
227.14458	2.4
229.15800	4.5
233.11786	2.3
241.15817	4.3
253.15823	7.7
259.17007	3.9
271.16827	29.1
274.37518	1.8
289.14575	3.2
289.17886	47.6
307.18970	75.1
325.20004	23.5
451.23141	2.3
469.24207	3.0
487.81174	2.2
545.26544	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.1
54.99809	0.8
55.05508	8.9
57.03432	2.1
57.07057	5.5
61.02910	1.1
63.42354	0.8
67.05497	10.5
68.53197	0.9
69.03416	11.8
69.06717	1.0
69.07059	17.6
70.06565	3.7
71.04968	6.8
72.08124	1.2
73.02898	1.6
75.29393	0.9
79.05475	20.6
81.03388	5.1
81.07040	25.1
83.04949	2.3
83.08585	4.2
83.86788	1.0
84.08087	1.0
85.02885	9.5
85.06518	1.9
85.46307	1.0
87.04409	2.8
91.05460	15.7
93.07029	32.7
95.04937	5.5
95.08585	32.5
95.09202	1.1
97.02873	6.4
97.06511	4.5
97.10152	0.9
99.04449	5.1
99.08056	7.0
105.03354	14.1
105.07013	78.4
105.44408	1.0
107.04939	1.3
107.08574	54.5
109.02886	1.3
109.06504	6.1
109.10148	5.2
111.04434	1.7
111.08083	1.2
111.62186	0.9
113.09630	5.1
115.03936	5.1
117.06973	4.6
119.08561	86.2
121.06473	1.3
121.10117	15.3
123.04415	1.7
123.08041	3.8
123.11675	9.6
124.75784	1.0
125.09533	0.9
127.03862	1.4
131.08568	6.0
133.04965	4.3
133.06590	1.0
133.10107	100.0
135.08110	1.3
135.11676	57.9
137.09608	8.2
141.91695	0.9
142.74460	1.0
145.10112	6.5
147.08051	1.4
147.11652	10.3
147.88223	0.9
149.09636	1.9
149.13246	9.2
151.11185	1.4
159.11694	1.3
161.09563	3.2
167.07037	1.1
171.11676	1.1
173.13205	2.0
175.14787	88.2
191.14391	1.2
193.15860	13.4
246.58818	1.1
266.09329	1.0
289.17780	1.6
295.10034	1.7
307.18945	4.2
324.25836	1.1
325.19778	1.4
327.12347	1.5
330.14294	1.2
342.14670	6.4
476.20346	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.01855	11.2
55.05506	17.7
57.03226	1.9
57.03428	32.2
57.07056	3.4
59.04990	3.0
61.02909	23.3
61.10570	2.0
63.81391	1.6
67.05492	18.4
69.03413	36.9
69.07053	15.6
69.70222	2.1
71.01343	26.2
71.04968	9.8
72.08115	2.9
73.02901	43.1
79.05052	2.0
79.05463	19.8
81.03388	14.5
81.07046	28.8
82.47181	1.8
83.04974	15.5
83.08596	3.9
85.02887	93.4
85.06524	12.6
86.09668	3.9
87.04437	4.7
91.03901	3.0
91.05466	25.7
92.09105	4.6
93.07027	30.0
95.04468	2.1
95.04951	29.9
95.08585	38.8
97.02883	31.1
97.06495	11.5
99.04427	12.7
101.05967	2.5
103.03944	5.2
103.05414	3.1
105.03362	13.9
105.07013	51.6
107.04942	5.4
107.08580	45.4
109.02856	9.7
109.06487	22.2
109.09498	2.4
109.10129	22.7
111.04414	13.6
111.08067	5.0
113.03542	2.8
113.05999	3.1
115.03910	19.6
117.03354	3.2
117.07042	15.6
119.04933	3.0
119.08552	95.8
121.06460	14.9
121.10123	50.0
122.10476	2.1
123.04366	3.5
123.08068	18.0
123.11678	9.9
125.05956	12.4
125.09595	2.8
127.03873	8.2
127.07537	3.3
129.06963	4.9
131.08543	32.3
133.04919	9.8
133.06485	5.1
133.10106	83.3
135.04410	2.6
135.08038	13.0
135.11688	13.3
137.05936	10.2
137.09566	13.1
137.39078	2.2
139.03740	2.3
139.07520	3.5
141.05484	2.7
142.07730	4.9
143.07021	3.8
143.08519	21.0
144.09254	3.1
145.02827	12.1
145.04916	2.4
145.10104	53.0
147.06569	16.6
147.08005	9.9
147.11668	52.8
149.05960	5.3
149.09605	23.3
149.13214	3.8
151.07544	3.2
151.11101	3.8
153.06944	3.9
155.08545	4.8
156.09396	2.4
157.10101	27.8
157.75360	2.7
158.10912	8.6
159.07957	4.9
159.11659	31.7
161.05994	2.6
161.09634	15.1
161.13214	10.7
163.11177	8.5
165.09039	4.0
165.12729	3.6
167.07037	2.5
167.10675	2.6
169.10085	12.6
170.10847	8.6
171.11684	15.7
173.08179	2.8
173.09593	9.1
173.13225	55.7
175.11078	2.5
175.14781	100.0
177.05432	16.4
177.09052	3.7
177.16374	3.4
181.10074	4.0
182.10864	3.3
183.11702	10.1
185.09659	4.8
185.11760	2.2
185.13158	19.9
187.11125	11.5
187.14781	35.6
189.12660	2.9
189.16341	12.4
191.14326	13.3
193.15871	21.7
197.09554	3.4
197.13193	4.8
199.14819	16.9
201.12645	3.0
203.14247	2.3
205.15875	3.9
209.13306	4.3
209.15320	8.7
210.15627	2.8
211.14781	10.6
215.14259	3.1
217.15855	12.4
225.16177	3.7
227.07047	2.3
227.12573	2.7
227.14531	3.0
229.15793	8.5
235.16974	2.4
241.15897	8.7
245.15242	3.0
251.12785	2.9
253.15846	9.4
259.09549	4.2
259.16928	4.5
271.16873	37.6
286.56921	2.3
289.17920	66.9
294.46506	2.3
307.18967	85.4
325.16611	3.3
325.19983	21.0
451.22690	3.8
469.24594	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	522.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45000	0.7
53.03926	3.7
55.01867	1.8
55.05499	13.5
57.03421	2.3
57.07058	1.6
59.04981	1.2
59.90673	0.8
61.02931	1.5
67.05491	12.6
69.03417	13.2
69.07053	17.8
70.06577	13.7
71.04973	20.3
71.76815	0.9
72.08139	8.0
73.06518	1.5
79.05474	22.7
81.03400	9.0
81.07038	100.0
82.07355	1.4
83.04939	1.8
83.08617	6.7
84.08112	4.2
85.02886	20.0
85.06527	5.4
86.09682	4.8
87.00806	9.3
87.04489	1.1
89.03882	1.0
91.05457	12.9
93.07024	47.0
95.04950	4.8
95.08009	1.4
95.08590	35.5
95.62638	0.9
96.08882	1.1
97.02869	7.9
97.06499	4.0
97.10155	3.7
99.04421	5.1
99.08070	4.2
101.05988	1.0
105.01839	7.8
105.03378	5.4
105.07013	49.6
107.08578	54.2
109.02858	8.0
109.06508	1.8
109.09409	1.6
109.10136	36.9
111.04426	1.3
111.08078	4.8
111.11642	1.0
113.09593	1.0
117.03355	8.5
117.06995	5.9
118.06853	6.2
119.08558	71.3
121.06472	1.8
121.10120	14.7
123.08037	1.8
123.11675	16.7
125.09581	4.5
127.03876	9.7
127.11163	16.1
130.06473	1.3
131.08516	4.0
132.10208	1.5
133.09189	1.8
133.10112	34.1
134.10460	0.9
135.11670	73.5
137.05864	1.1
137.13222	3.9
139.11159	1.5
143.08525	1.1
143.10637	4.3
143.11757	1.1
145.02837	29.3
145.04904	2.1
145.10097	7.1
147.11659	22.2
149.05981	2.3
149.13260	5.3
151.11113	1.4
153.12724	7.4
159.09148	2.3
159.11656	5.4
161.09612	2.2
161.13235	12.6
163.11189	4.5
163.14801	4.7
165.09196	1.1
173.13271	2.0
175.14804	2.3
177.05440	46.8
179.10756	3.4
189.09184	1.1
189.12566	1.0
193.15802	1.0
203.17924	37.4
203.19699	1.8
220.99045	1.6
221.18974	36.4
249.05962	2.3
278.41342	1.0
318.06833	1.5
339.10712	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88399	0.4
51.28504	0.4
53.03922	0.7
55.01843	0.5
55.05496	4.3
55.98825	0.5
56.96549	0.6
57.03415	1.1
57.07045	0.6
61.02908	2.1
67.05499	6.8
67.89562	0.5
69.03405	5.8
69.07053	6.1
71.03983	0.5
71.04963	3.0
73.02905	0.7
73.20627	0.4
77.03874	0.5
79.05474	5.3
81.03391	3.0
81.07031	15.7
82.07386	0.9
83.04963	1.1
83.08594	3.2
85.02889	15.0
85.06528	4.2
91.05451	7.4
93.07020	13.0
94.04176	1.0
95.04945	3.3
95.08578	13.4
96.08913	1.1
97.02867	6.5
97.06500	3.3
97.10160	1.3
99.04425	1.0
103.05461	0.8
105.03373	6.7
105.07001	7.6
106.02896	0.7
106.07301	0.7
107.04933	3.0
107.08582	10.0
108.08925	0.7
109.02857	2.4
109.06475	3.1
109.10123	6.2
110.10426	0.7
111.08084	2.2
111.11734	0.8
115.05432	0.8
117.06956	3.0
119.04903	3.7
119.08563	5.5
121.06457	4.4
121.10136	7.6
122.03629	4.9
123.04373	2.9
123.08030	1.1
123.11699	3.9
124.03893	1.3
125.09609	0.7
127.03865	3.0
128.06140	0.8
129.06964	4.9
131.04901	1.3
131.08554	3.2
133.02843	0.7
133.06480	1.1
133.10126	4.2
135.08031	1.0
135.11641	4.4
137.05952	100.0
137.13167	0.7
141.06897	0.6
143.08470	0.6
145.04922	1.3
145.06490	1.0
145.10088	2.6
147.04398	8.1
147.07991	0.8
147.11681	2.3
149.02307	3.0
149.06020	0.8
149.09573	3.1
149.13240	2.9
150.13652	0.7
151.03831	3.0
151.07497	4.9
151.11130	1.3
157.06451	6.6
157.10048	1.0
159.08002	2.3
159.11671	1.1
159.89561	0.7
161.05888	5.1
161.13176	2.2
163.07491	2.3
163.14796	3.3
165.06944	0.7
165.22777	0.6
173.13206	1.1
174.06709	1.1
175.07501	0.7
177.09038	11.2
178.07738	2.2
181.15758	1.3
187.07533	3.4
189.09082	11.2
191.07005	2.1
193.10100	2.6
201.16226	0.8
201.72743	0.6
203.17844	0.6
204.07724	2.2
205.16008	0.7
219.10185	2.5
221.09602	3.8
223.07571	0.7
233.09418	0.6
249.09068	1.0
253.12138	3.7
260.92886	0.6
265.12018	0.8
269.07794	1.0
281.11609	2.3
284.10114	1.6
289.24933	0.8
293.11575	3.6
298.12274	0.7
305.24750	2.2
306.24924	1.1
307.26398	1.3
313.14304	20.8
323.25824	0.7
325.14264	11.3
343.15314	9.6
521.26672	1.1
522.27570	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96578	0.3
53.03945	0.6
55.01878	0.6
55.05501	3.4
57.03418	0.7
57.07070	0.7
61.02896	0.7
67.05498	3.7
69.03418	4.6
69.07050	4.4
69.14504	0.3
70.07406	0.4
71.04960	2.3
74.04537	0.4
79.05462	5.2
80.05828	0.5
81.03401	2.4
81.07038	11.4
82.07372	0.6
83.04974	0.6
83.08585	1.6
85.02887	11.2
85.06516	2.6
87.04430	0.5
87.05088	0.4
91.05453	6.7
93.07018	8.8
94.04149	1.0
95.04929	2.6
95.08572	8.8
96.08907	0.8
97.02856	2.7
97.06488	1.7
97.10135	1.6
99.04445	0.9
103.05444	1.8
105.03358	4.7
105.07006	5.2
107.04971	3.2
107.08582	8.4
109.02898	1.7
109.06493	3.6
109.10133	7.4
111.08034	1.0
114.36911	0.5
115.05410	0.8
117.07015	3.1
119.04907	2.0
119.08536	4.3
121.06475	5.0
121.10114	5.6
122.03623	5.3
122.10448	0.6
123.04395	2.4
123.08077	0.8
123.11684	3.9
124.03936	0.6
127.03896	2.5
128.06187	0.4
129.06953	5.9
131.04861	0.7
131.08548	2.6
133.02791	0.5
133.06395	0.6
133.10080	3.0
134.10442	0.8
135.07999	0.8
135.11678	3.1
137.05951	100.0
137.13263	0.5
143.08466	0.7
145.02783	0.5
145.04904	0.8
145.06480	2.5
145.10059	0.8
147.04402	6.0
147.11652	2.0
149.02266	1.0
149.05922	1.4
149.09625	2.2
149.13275	2.2
151.03873	3.5
151.07507	5.0
157.06464	6.7
159.08044	2.9
159.11717	0.6
161.05937	7.3
161.09596	1.6
161.13185	0.6
163.07524	2.5
163.14777	2.5
173.05957	0.4
173.13092	0.4
174.06720	1.7
175.07556	0.4
175.14673	0.6
177.05469	0.8
177.09071	11.5
178.07634	0.6
179.06993	0.9
181.15884	0.7
187.07533	3.5
189.09059	9.8
191.07004	0.8
191.10651	0.5
193.06517	0.8
193.08507	0.9
193.10144	2.1
201.09067	0.7
203.08630	0.6
204.07799	2.8
219.10121	3.5
219.17409	0.6
221.09657	3.7
221.12938	0.5
233.09581	1.7
235.07451	0.5
235.72139	0.4
237.09131	0.5
238.09705	0.5
249.09151	0.9
253.12167	5.1
261.08994	0.5
265.12271	0.7
269.08038	2.4
281.11606	3.3
283.09421	0.5
284.10367	0.9
289.25131	1.7
293.11545	3.1
305.24799	1.7
306.25098	1.0
307.26273	0.8
313.14294	19.1
325.14279	12.5
343.15305	10.3
521.26935	0.6
522.27838	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01846	0.7
55.05496	0.7
56.77753	0.3
57.03429	2.7
61.02900	1.6
67.05482	1.3
67.66727	0.3
69.03416	8.6
69.07036	1.1
71.04978	2.8
73.02901	0.7
73.40377	0.3
77.03915	0.3
79.05040	0.5
79.05467	6.4
81.03400	14.1
81.07038	1.9
83.04955	1.5
85.02887	18.7
85.06527	1.3
87.04458	0.5
89.05999	2.9
91.05453	2.1
92.08873	0.7
93.07026	4.0
95.04943	6.4
95.08580	2.1
97.02867	10.5
97.06487	0.5
99.04440	3.8
105.03371	100.0
105.06992	2.4
106.03694	0.6
107.04930	0.4
107.08587	3.2
109.02853	9.7
109.06515	1.3
109.10139	1.3
111.04369	0.5
117.06991	0.5
119.04908	0.4
119.08556	3.5
121.06477	2.3
121.10117	1.9
123.04417	11.1
123.08022	0.6
125.09673	0.4
127.03884	9.8
131.08522	1.2
133.10097	3.5
135.07967	0.7
137.05951	0.8
145.04938	4.3
145.10098	1.2
147.08002	0.4
147.11623	0.5
149.05963	2.3
149.09644	0.5
153.09189	0.5
159.11731	0.5
161.09666	0.5
163.07568	0.4
163.11073	0.3
167.07051	1.3
173.13275	1.5
175.14771	3.4
181.08574	3.4
187.14919	0.4
202.80965	0.3
209.15358	2.0
218.99530	0.3
231.06511	0.5
249.07524	19.6
254.34061	0.3
265.38687	0.3
267.08566	25.7
271.16898	0.4
272.47067	0.4
289.17978	1.5
307.15732	0.4
307.19031	2.1
325.19992	0.5
389.17926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01869	0.2
57.03423	0.3
57.16433	0.1
60.04510	0.3
61.02905	1.2
63.40894	0.2
68.12020	0.2
69.03409	2.1
73.02907	0.4
76.25172	0.2
79.05460	0.4
81.03404	1.1
85.02893	6.8
87.04430	0.3
89.03903	1.1
91.05472	0.3
92.08640	0.4
92.09269	0.8
95.04935	0.4
97.02876	2.3
98.97575	0.9
99.04424	0.4
103.05456	31.7
105.03339	0.3
105.07024	0.3
107.04946	0.8
109.02890	0.7
112.89780	0.2
114.80592	0.2
116.98611	0.4
117.03364	1.3
123.04408	0.2
127.03900	1.1
131.04912	100.0
132.05309	0.3
133.06462	0.3
134.99644	0.3
135.04401	5.6
136.04680	0.2
137.05951	0.7
143.00237	0.2
145.02840	3.9
145.04860	1.2
146.03232	0.2
147.04391	0.8
158.99596	0.2
161.01180	0.2
163.03883	23.6
163.07515	27.0
164.04248	1.0
164.07890	0.2
167.07031	0.2
177.00621	0.3
177.05476	0.4
180.08752	0.2
181.04921	4.9
219.01843	0.2
255.01709	0.3
271.45505	0.2
325.09256	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78214	2.5
51.56299	2.1
53.00301	2.7
54.87978	2.2
55.05497	19.4
56.96545	2.9
57.03444	3.0
58.04490	2.1
65.03934	2.6
67.05493	30.2
69.03426	3.7
69.07050	26.5
70.18118	2.4
71.04956	3.1
79.05475	33.3
81.07034	70.7
83.04967	5.6
83.08601	9.6
85.02880	3.0
85.06520	4.6
88.53635	2.8
91.05461	34.0
92.08748	9.5
92.09351	5.0
93.07019	56.7
95.04953	13.0
95.08587	100.0
97.06510	10.4
101.06001	3.2
101.67712	2.4
105.03388	23.1
105.07018	71.2
107.08585	80.4
109.06506	12.0
109.10133	44.6
111.08051	5.4
117.07053	11.8
119.08561	90.2
121.06487	4.8
121.10120	59.0
123.08073	3.9
123.11712	12.9
125.09618	4.2
127.07589	3.1
129.06987	4.9
131.08524	31.7
133.10104	71.8
133.11037	4.5
135.11700	31.6
137.06114	3.0
140.21532	2.8
143.08551	14.1
144.09355	3.5
145.10097	53.5
147.08029	5.4
147.11661	44.9
149.05898	3.2
149.09604	5.4
149.13214	30.1
153.09111	4.6
155.07077	3.2
155.53516	3.0
156.09210	3.2
157.10156	18.5
159.11656	42.7
161.09563	3.5
161.13232	33.7
163.07616	3.6
163.11174	3.2
163.14749	25.6
171.11684	14.6
173.09579	5.9
173.13226	26.4
175.11189	3.0
175.14769	35.8
176.15276	3.8
177.12897	2.8
177.16379	30.3
179.10658	4.3
185.13278	10.6
187.14772	53.8
189.16342	43.4
191.17955	15.8
199.14774	3.2
201.16385	23.4
202.16806	3.0
203.14340	6.0
203.17917	63.2
213.16345	4.1
215.18022	5.5
217.19499	3.5
219.13834	3.9
219.17346	3.1
221.15289	4.2
223.13277	3.6
227.17944	5.2
229.19392	6.4
231.20911	3.4
249.14670	5.8
265.18253	2.9
267.08704	4.8
271.15186	6.0
283.15256	2.8
429.33371	3.3
431.31818	3.2
439.32062	24.7
449.30673	3.5
457.33139	37.9
475.34079	43.3
510.48407	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	521.3474
Annotation	Inokosterone 20,22-acetonide
Peak:m/z	Relative Intensity
53.03932	1.8
55.05502	13.9
57.07072	1.9
62.32448	1.5
67.05486	16.3
69.03400	2.6
69.07046	15.5
71.04988	2.3
79.05471	22.5
81.03391	2.0
81.06593	2.4
81.07037	50.1
83.04966	1.8
83.08595	8.5
85.02881	1.9
91.05457	24.0
92.09209	5.1
93.06485	2.4
93.07023	44.7
95.04942	7.6
95.08581	69.4
95.09202	2.5
97.06497	2.8
97.10147	3.3
103.05466	1.6
105.03374	15.2
105.07007	51.4
107.04927	2.2
107.08572	60.6
109.06482	15.1
109.10146	29.3
111.08076	2.6
117.06986	10.0
119.08558	100.0
121.06458	6.6
121.10118	41.7
123.04361	1.8
123.08033	5.8
123.11692	7.6
125.09590	2.5
128.06181	1.5
129.06978	10.4
131.08534	37.6
132.35457	1.4
133.06470	5.2
133.10103	49.2
135.08026	8.1
135.11671	13.4
137.05899	1.5
139.07523	2.1
141.06937	2.0
142.07715	8.2
143.08542	23.6
144.09355	3.1
145.06494	2.0
145.10097	48.4
147.08084	9.7
147.11665	35.1
149.09564	9.5
149.13214	12.7
151.07550	2.7
153.09088	6.9
155.08568	10.5
156.09297	7.2
157.10121	26.3
158.10884	1.9
159.08022	8.1
159.11664	30.3
161.08372	2.0
161.09589	26.8
161.13228	20.1
163.07468	2.4
163.11165	3.0
163.14760	12.8
165.09058	1.9
167.08517	2.3
168.09305	3.1
169.10066	12.8
170.10864	8.6
171.07982	2.1
171.11629	24.1
172.08725	1.6
172.12419	1.7
173.09549	10.6
173.13197	32.2
175.11174	12.4
175.14781	92.6
177.09048	2.2
177.12750	1.7
177.16348	32.1
181.10022	2.2
183.11667	31.9
185.09586	2.5
185.13214	26.4
187.11154	8.1
187.14754	20.5
189.12711	16.7
189.16344	34.2
191.14397	4.6
191.17877	6.8
193.12268	1.8
193.15860	1.9
195.11661	3.1
197.13202	8.8
199.11143	2.3
199.14755	10.1
201.12718	18.8
201.16368	15.6
203.14281	50.8
203.17955	17.2
205.15871	7.4
207.17343	1.9
209.13229	2.5
211.14711	2.3
213.12773	6.6
213.16348	6.2
215.14284	7.3
215.17902	13.7
217.15810	9.6
219.13684	2.8
219.17427	2.9
221.13379	2.0
221.15289	12.8
223.16740	4.0
229.15862	1.6
229.19441	3.3
231.13618	5.1
231.17392	3.4
233.15306	6.4
235.16821	2.9
239.17871	1.6
241.19620	2.5
245.15283	8.1
247.16866	2.7
249.14781	23.1
263.16357	7.7
281.17322	1.7
325.21698	2.5
373.28809	2.3
391.30084	11.5
403.29849	2.9
409.30807	3.2
419.29340	15.2
421.30829	15.1
437.30405	18.4
439.31979	27.9
449.30127	3.3
457.33191	15.9
467.31598	13.2
475.33868	13.2
485.32428	16.2
503.33575	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
54.81656	0.4
57.03410	0.4
59.59163	0.4
61.62337	0.3
69.03401	2.9
69.32094	0.3
70.06566	0.4
81.03411	3.0
82.87070	0.3
83.04968	0.6
85.02881	2.3
85.06532	3.8
85.08348	0.4
85.56866	0.4
89.03886	5.7
91.05455	1.6
92.09042	1.8
95.04914	0.9
97.17117	0.4
103.05441	3.4
105.03396	0.5
105.07001	1.7
107.08552	0.8
109.02837	0.8
117.03358	24.8
119.04914	1.7
129.05481	0.6
131.04895	4.2
134.03600	2.3
135.04391	2.5
137.05949	0.6
137.09555	0.6
139.69817	0.4
145.02829	74.1
145.79486	0.4
147.04379	3.4
147.05949	0.5
148.04739	0.5
149.05945	9.9
163.03821	0.7
163.07497	0.7
177.05429	100.0
179.14281	0.5
182.73265	0.4
186.93727	0.4
195.06439	0.5
227.75536	0.4
262.19955	0.5
321.09586	2.6
339.10672	4.5
354.95636	0.4
533.90375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
66.83569	0.2
74.02435	1.0
82.93140	0.3
91.05500	0.3
92.09118	0.4
103.80853	0.2
115.05415	0.6
117.05743	0.5
117.06995	1.3
118.06516	19.2
130.06494	2.6
132.08043	6.6
142.06471	2.0
143.07280	2.4
144.04396	0.6
144.08066	15.2
146.05984	78.9
159.09132	8.4
160.07532	1.5
170.05972	6.0
177.05434	0.3
188.07028	100.0
189.07425	0.6
205.09691	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	521.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30529	0.2
50.58688	0.2
52.28038	0.2
52.79921	0.2
53.03925	0.4
55.05505	0.4
56.51559	0.2
57.03414	0.3
61.02896	0.2
69.03415	2.7
71.04957	0.3
78.04671	0.3
79.05439	0.2
81.03400	3.6
83.04967	0.6
85.02890	1.9
85.06532	0.3
86.09669	0.4
87.32076	0.3
88.16890	0.3
89.03889	6.4
91.05444	1.0
93.06967	0.3
94.67078	0.2
95.04937	0.5
95.08557	0.4
97.02884	1.1
99.04417	0.3
103.05445	3.3
105.03384	0.2
105.07034	0.4
107.08566	0.4
109.02867	1.1
111.04452	0.5
117.03355	24.8
119.04926	0.4
121.10095	0.4
125.09599	2.6
131.04909	4.2
131.08607	0.3
133.10092	0.4
134.03627	1.8
135.04385	1.9
137.05943	0.3
145.02821	80.3
147.04358	1.1
149.05959	10.5
149.09589	3.3
151.11125	0.6
153.09041	0.4
161.06009	0.4
162.03079	0.4
163.03854	1.3
163.07532	1.0
177.05429	100.0
178.05754	0.3
191.14307	0.6
195.06377	0.9
204.95871	0.3
207.06512	0.3
209.15343	3.1
227.16505	0.9
230.37550	0.3
285.46146	0.3
321.09695	2.7
339.10651	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	521.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01864	0.2
55.09778	0.2
57.03439	0.4
61.02917	0.3
63.02364	0.4
67.05512	0.2
68.75596	0.2
69.03413	2.4
70.06565	0.3
71.04984	0.2
73.02905	0.3
81.03398	3.4
81.07052	0.3
83.04966	0.3
85.02888	3.4
87.89194	0.2
89.03893	5.6
91.05456	0.8
91.81461	0.2
93.07030	0.2
95.04934	0.3
97.02869	1.2
97.94154	0.2
99.04424	0.4
103.05451	0.3
103.62312	0.2
105.03357	1.8
106.04131	0.2
107.08612	0.2
107.19970	0.2
109.02868	1.5
117.03354	23.9
117.09097	0.1
119.04877	0.8
124.05224	0.2
127.03873	0.4
129.05444	0.3
134.03586	1.5
135.04382	1.9
137.05940	0.4
145.02824	66.5
147.04395	1.7
148.04686	0.3
149.05956	9.4
162.03087	0.2
163.03860	1.2
177.05428	100.0
178.05707	0.2
179.10785	0.2
186.05470	0.2
195.06517	0.9
215.16528	0.2
265.08450	0.3
321.09650	2.5
329.03134	0.2
339.10681	4.7
450.23407	0.2
472.73264	0.2
473.06787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.01844	0.5
57.03420	0.9
60.12854	0.4
61.02908	0.8
69.03413	3.9
70.06546	0.5
73.02893	0.7
85.02886	7.7
92.08964	0.5
97.02856	2.6
98.97568	7.9
101.00859	10.9
103.00590	0.8
103.02403	0.6
109.02884	0.5
115.02412	0.6
116.98589	3.1
119.01904	38.7
121.01679	1.1
121.03442	0.5
127.02399	1.8
127.03896	2.7
128.02386	0.4
131.00093	0.5
131.01877	2.6
133.03465	4.2
136.07532	0.6
137.02946	4.6
139.02365	4.4
143.00168	0.6
143.01865	8.8
145.01688	0.5
145.03453	18.7
145.04857	0.8
147.04230	0.7
149.01198	1.1
155.01869	1.1
157.03445	47.0
158.03513	0.6
158.99673	2.1
159.03204	1.8
161.01517	0.9
161.02930	11.8
162.03259	0.5
163.02701	0.5
163.04483	5.5
169.03407	1.9
171.05020	0.7
173.01207	1.1
173.02870	1.8
175.04491	25.5
176.04539	0.7
177.00739	0.9
177.04153	1.0
179.02245	2.0
181.05508	4.4
184.05800	0.6
185.02914	0.7
187.04434	2.2
191.02133	1.0
195.01385	0.6
197.03049	1.9
205.05533	19.8
213.02455	0.9
221.03059	0.9
221.04968	0.6
223.06601	100.0
224.06802	1.1
225.06410	4.7
237.02452	2.2
239.04335	9.2
241.07639	32.8
241.10097	1.1
242.08025	0.7
243.07486	1.7
245.04980	0.7
246.08076	0.9
249.08142	3.2
255.03413	4.3
257.05386	2.1
265.07635	7.9
266.07770	0.9
267.07315	3.6
269.04913	0.8
277.07623	25.9
279.05594	1.9
279.09097	4.6
281.05246	0.7
293.07132	0.7
295.08658	0.9
308.60834	0.5
321.06662	13.7
339.07776	41.8
340.07581	0.5
341.07132	1.1
345.22211	0.5
359.08356	2.3
387.13409	52.5
387.93658	0.5
388.13324	0.6
521.13550	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	520.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.1
55.01856	0.1
55.05501	1.9
56.05032	1.1
57.03423	0.8
57.07056	0.4
58.06557	1.3
59.07386	0.2
60.08148	21.4
65.03920	0.2
67.05489	5.6
69.07048	1.8
70.06576	0.2
70.93532	0.1
70.93938	0.1
71.07352	8.2
79.03837	0.1
79.05473	1.2
79.41300	0.1
81.07031	5.7
83.04947	0.1
83.08593	0.8
86.09683	71.5
88.18609	0.1
91.05465	1.3
93.07023	1.9
95.04925	0.1
95.08581	4.2
97.10130	0.2
98.98436	4.5
104.10718	92.2
105.07026	1.0
105.11062	0.1
107.08582	1.3
109.10123	1.6
119.08532	0.9
121.10123	0.8
123.11715	0.4
124.99970	43.0
131.08521	0.2
133.10094	1.1
135.11665	0.6
137.13287	0.1
143.01024	0.4
143.08530	0.1
145.10127	0.4
147.11708	0.5
149.09659	0.1
149.13234	0.5
154.94243	0.1
159.11639	0.2
161.13248	0.6
163.01523	0.7
172.22725	0.1
173.13231	0.2
175.14732	0.2
181.02509	0.2
181.43118	0.1
184.07294	100.0
185.07605	0.2
187.14719	0.2
189.16344	0.6
190.16727	0.2
201.16306	0.2
203.17931	0.2
231.21078	0.6
240.09914	0.1
249.22034	0.5
258.11008	0.6
268.06430	0.1
323.25742	0.2
337.27371	0.8
371.72559	0.1
411.59967	0.1
443.25879	0.1
454.33673	0.2
502.32736	6.1
520.33856	28.4
521.34015	0.5
528.51440	0.1
543.52228	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95854	0.1
55.05516	0.6
56.05033	0.2
57.03421	0.1
58.06604	0.4
60.08152	8.4
63.93344	0.1
67.05484	0.8
69.07050	0.5
70.06563	0.1
71.07355	3.6
79.05477	0.2
81.07037	1.0
83.08611	0.2
86.09688	46.5
91.05463	0.1
92.09048	0.1
93.07040	0.1
93.14368	0.1
95.08582	0.7
98.98440	3.9
104.10720	4.0
105.07035	0.1
107.08559	0.1
109.10139	0.3
114.37564	0.1
124.99978	35.2
132.25656	0.1
133.10056	0.1
143.01036	0.5
147.11659	0.1
184.07304	100.0
185.07666	0.4
258.11084	0.1
306.25687	0.1
310.98737	0.1
337.27298	0.2
371.94293	0.1
383.61819	0.1
423.20010	0.1
425.02438	0.1
502.32718	1.1
520.33887	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	520.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82120	0.4
55.05495	2.1
58.06581	0.5
60.08152	16.5
67.05487	6.1
69.07041	2.3
71.07360	4.4
79.05466	0.9
81.07040	6.2
86.09690	55.8
91.05459	2.0
92.08787	2.9
93.07022	1.9
95.08579	5.2
98.98456	3.7
103.13600	0.5
104.10723	42.0
105.07001	1.0
107.08559	2.6
109.06488	0.5
109.10142	1.1
119.08573	2.4
121.10112	1.8
124.99980	40.8
133.10094	2.0
137.13254	0.5
143.01057	0.8
147.11690	0.8
171.11681	0.7
173.13275	0.7
175.14824	0.9
184.07301	100.0
187.14723	0.7
203.17720	0.6
249.21843	0.5
323.48636	0.5
356.00974	0.5
402.47824	0.5
403.55460	0.5
502.32535	3.5
520.33929	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	520.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.2
55.01868	0.6
55.05497	4.0
57.03401	0.8
59.04931	0.4
67.05486	6.4
69.03413	7.8
69.07050	3.5
71.04964	2.1
77.03905	0.5
78.49866	0.4
79.05479	9.4
81.03395	16.3
81.07037	11.9
83.04917	0.7
83.08614	0.9
85.02888	6.9
91.05453	7.7
93.07019	12.9
94.00002	0.5
95.04933	8.7
95.08579	13.0
96.82252	0.4
96.95192	0.4
97.02856	8.0
97.06515	1.0
97.34418	0.5
99.04433	1.2
103.05460	0.6
104.04372	0.5
105.03371	100.0
105.07000	23.0
106.03687	0.7
107.08573	14.8
109.02869	6.5
109.06508	1.1
109.10139	9.4
117.06983	4.3
119.08558	23.8
121.06478	1.1
121.10125	10.3
123.04376	7.3
123.08057	1.0
123.11678	1.1
127.03905	4.4
129.06963	2.1
130.07739	2.6
131.08528	13.7
133.06485	0.5
133.10092	13.5
135.07999	0.8
135.11656	3.2
139.07613	0.6
142.07832	0.6
143.08557	3.6
144.09378	1.1
145.10103	26.0
147.08049	0.7
147.11655	6.2
147.86377	0.5
149.13255	1.0
153.09111	0.7
155.08435	0.7
157.10075	4.2
158.10886	2.7
159.11644	16.3
161.09636	1.0
161.13211	5.2
163.11208	0.7
163.14821	1.1
169.10030	0.8
171.11655	3.1
173.13217	21.2
175.11208	0.7
175.14824	3.9
177.12752	0.6
177.16335	1.0
183.11629	1.2
185.13210	2.3
187.14793	8.2
189.16331	5.4
191.14302	1.8
198.68192	0.7
199.14761	2.2
201.12630	0.6
201.16345	29.5
203.14340	1.9
203.17877	2.3
205.15880	2.8
213.16353	0.8
215.17903	1.1
217.15822	0.6
219.17424	2.0
231.17311	0.5
247.16902	2.3
249.07501	11.6
267.08572	6.4
297.99475	0.5
393.31403	2.5
403.29358	0.7
411.32156	2.0
421.31073	2.3
437.30115	0.6
439.32092	4.2
449.30130	0.8
455.31348	2.1
457.32806	2.6
467.31497	1.2
485.32556	1.0
503.33701	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	520.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.9
53.03944	4.4
55.01851	0.6
55.05502	5.3
57.03416	1.0
57.07057	1.4
67.05500	11.3
69.03421	5.1
69.07054	9.4
71.04986	0.7
71.08617	1.0
76.56531	0.7
79.05478	12.6
81.03407	14.7
81.07040	23.6
83.04975	0.7
83.08624	1.1
83.46920	0.6
83.64973	0.5
85.02902	8.0
91.05469	12.6
92.09080	3.1
93.07022	18.7
93.21462	0.6
95.04954	7.7
95.08585	17.9
97.02866	8.5
97.06496	0.6
99.04458	1.1
103.05440	1.0
105.03376	100.0
105.07012	54.4
106.03713	0.8
107.08584	16.4
109.02855	7.4
109.06496	3.8
109.10143	11.6
110.97614	0.8
111.08042	1.0
115.05465	0.7
117.06996	10.9
118.64938	0.6
119.08562	37.5
121.06478	1.0
121.10118	10.9
123.04415	7.1
123.11685	1.1
125.09657	0.9
127.03874	5.2
129.06973	3.1
130.07755	6.2
131.08545	26.0
133.10101	18.6
135.08032	0.8
135.11671	3.3
137.09512	0.6
142.07693	0.8
143.08548	4.5
144.09325	5.8
145.04909	0.9
145.10110	65.9
146.10779	0.9
147.11691	1.5
149.13287	1.3
157.10120	4.9
158.10918	3.5
159.11667	37.5
161.13219	15.2
163.11209	1.0
163.14835	3.0
171.11705	3.1
173.13226	20.7
175.14876	0.7
177.16406	0.6
183.11850	0.8
185.13133	0.7
187.14740	1.0
189.16406	1.2
199.11145	0.7
199.14818	0.8
201.16354	33.2
203.17961	1.0
205.15932	0.7
213.16232	0.8
219.17435	5.4
249.07524	17.0
267.08572	9.7
467.31451	1.3
485.32541	1.0
538.63580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62373	0.3
51.83628	0.3
53.00299	0.5
53.03930	1.6
53.04924	0.3
55.01860	1.9
55.05496	2.2
57.03423	4.5
57.07069	0.6
61.02912	6.7
67.05483	3.0
69.03414	15.3
69.07056	3.5
71.04970	3.4
71.82401	0.4
73.02893	2.9
75.85513	0.3
79.05481	3.5
81.03395	7.5
81.07038	8.3
83.01302	0.5
83.04952	0.9
83.08596	0.6
85.02888	67.5
85.06521	1.8
87.00854	0.4
87.04453	2.7
89.03905	0.8
91.03947	2.9
91.05456	4.4
91.36593	0.4
92.08974	2.4
93.07014	7.9
94.07373	0.5
95.04935	2.2
95.08605	4.6
97.02871	18.0
97.06524	0.9
99.04424	3.3
101.02390	0.5
103.05427	0.6
105.03368	5.1
105.07012	100.0
107.08582	5.4
108.08911	0.5
109.02869	7.6
109.06502	5.7
109.10145	4.8
111.08058	0.5
115.03913	0.9
117.03349	7.1
117.07014	0.8
119.04923	2.4
119.08562	7.1
120.08949	0.5
121.06480	0.4
121.10107	5.5
121.10889	0.5
122.10486	0.7
123.08021	0.8
123.11676	3.3
125.09598	0.6
127.03897	13.7
129.06990	0.4
131.08499	3.1
133.10091	5.5
134.03619	0.5
135.04433	0.8
135.08061	2.6
135.11676	2.6
137.09592	1.6
139.11192	0.4
143.08644	0.7
143.10661	0.6
145.02840	15.9
145.04919	10.9
145.10085	4.3
147.04375	7.2
147.11646	2.5
149.05940	1.9
149.09627	0.7
149.13260	1.9
151.11177	0.6
157.10141	0.9
159.11661	2.9
161.09628	0.6
161.13225	38.6
163.03850	0.5
163.05980	4.7
163.11070	0.4
173.13196	2.7
177.05424	22.4
185.13284	0.5
191.10420	0.4
191.14247	3.2
195.13788	0.6
199.14835	0.6
209.15343	2.5
229.19391	0.5
269.22897	0.5
305.24710	0.9
306.40070	0.4
323.25781	0.5
341.19562	0.6
439.93332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01860	2.4
55.05492	1.8
57.03209	0.3
57.03428	5.2
57.07058	0.3
61.02913	7.0
62.90662	0.3
67.05493	2.9
69.03416	16.1
69.07054	4.1
71.04979	3.0
73.02891	2.6
79.05459	3.1
81.03392	7.3
81.07046	6.7
82.07376	0.4
83.01307	0.6
83.08605	0.7
85.02888	70.2
85.06512	1.9
85.72758	0.3
86.45920	0.4
87.04445	2.0
89.03905	0.8
91.03934	2.8
91.04932	0.3
91.05459	3.8
92.08823	1.9
93.07016	6.0
95.04964	2.4
95.08596	4.7
95.51773	0.4
97.02867	17.5
97.06504	1.5
99.04425	4.2
101.02363	0.5
105.03383	5.1
105.07010	100.0
107.08572	6.2
109.02866	7.5
109.06509	5.3
109.10149	5.4
111.08076	1.4
112.65367	0.4
115.03897	0.9
117.03357	6.1
117.06967	0.5
119.04936	3.5
119.08549	7.6
121.06509	0.8
121.10118	5.2
123.04436	0.5
123.08074	1.4
123.11695	3.2
125.09629	0.5
127.03887	14.7
131.08574	3.4
133.10098	6.0
134.03586	0.5
134.10439	0.6
135.08032	3.0
135.11702	2.1
137.05917	0.4
137.09624	1.6
137.13358	0.4
139.11147	0.8
143.08525	0.8
145.02827	15.4
145.04918	12.2
145.10104	2.5
147.04388	9.6
147.11653	1.7
149.05972	3.6
149.09610	0.9
149.13228	1.6
151.11180	0.6
157.10168	0.8
159.11679	2.3
159.94003	0.3
161.09563	0.6
161.13225	37.5
163.05992	5.6
163.11165	0.5
173.13237	2.4
175.14729	0.4
177.05434	19.1
185.13324	0.5
188.85719	0.4
191.14325	3.3
195.13675	0.6
201.16367	0.8
209.15396	2.3
225.38925	0.4
242.44995	0.4
251.36278	0.4
305.24643	1.5
318.86847	0.4
325.11197	0.5
357.12280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63375	1.1
52.29274	1.2
53.00299	2.1
53.03937	8.3
54.81473	1.3
55.01856	7.6
55.05503	31.1
57.03428	12.6
57.07058	6.9
58.47808	1.3
58.78489	1.4
59.04979	2.4
61.02901	3.2
62.48375	1.2
65.03925	2.6
65.49969	1.4
67.05488	35.6
69.03417	35.3
69.07053	33.1
71.04970	35.2
73.02904	3.2
73.06525	2.5
77.03935	1.8
79.05467	37.6
81.03400	31.7
81.07035	83.4
82.07363	2.3
82.58027	1.6
83.04967	9.6
83.08617	10.2
85.02885	51.6
85.06530	21.3
86.40124	1.4
87.00803	15.7
87.04449	3.0
89.03905	1.9
91.05450	40.8
92.08921	1.8
93.07018	86.4
94.07330	2.0
95.04933	21.3
95.08580	78.2
97.02861	25.0
97.06513	14.1
97.10155	6.9
98.97542	1.5
99.04434	9.3
99.08064	8.0
103.05437	1.5
105.01867	15.2
105.03369	100.0
105.07008	95.1
106.03705	1.9
107.04913	1.9
107.08569	91.4
109.02866	20.9
109.06488	8.8
109.10133	61.6
110.06026	24.2
110.10471	2.4
111.04374	1.7
111.06365	6.5
111.08068	8.5
111.11702	2.0
113.09608	1.5
115.03902	2.7
115.05450	1.8
116.03483	1.8
117.03336	7.4
117.07010	17.0
119.04926	11.5
119.06051	1.6
119.08553	47.3
120.08926	1.7
121.06483	3.4
121.10118	65.4
121.10980	2.6
123.04404	12.8
123.08048	10.3
123.11683	14.2
125.05985	1.9
125.09606	23.8
127.03899	26.1
127.07539	3.2
129.07019	5.6
130.07787	3.3
131.08549	32.1
133.04961	1.6
133.06448	1.7
133.10106	71.9
133.11142	2.3
134.10498	1.5
135.04364	2.1
135.08072	5.4
135.11650	26.0
137.09596	8.5
137.13223	1.7
139.11163	6.9
142.07814	2.1
143.08546	6.8
143.10658	16.9
144.09320	7.7
145.02864	14.3
145.04941	7.0
145.10104	47.3
146.10602	1.6
147.04378	35.0
147.08025	2.1
147.11661	30.6
149.09573	7.2
149.13242	30.6
151.11148	6.6
155.10658	2.0
157.10124	11.6
159.02846	2.4
159.11664	35.1
161.09570	7.1
161.13185	13.1
163.03874	8.5
163.11168	8.8
164.04202	3.4
165.08997	2.1
167.14281	40.6
171.11653	3.5
173.13200	16.6
175.07486	1.6
175.14745	10.0
177.05444	16.8
177.12796	1.6
181.12166	2.0
187.14824	2.6
189.09100	1.4
191.14275	13.0
191.17857	2.1
199.14868	1.9
201.16338	25.5
209.15315	2.2
219.17371	38.5
231.04861	3.0
237.18539	3.4
249.07802	11.8
260.08673	1.7
267.08588	18.0
269.22897	1.7
284.08066	1.4
285.22031	1.4
304.23654	1.9
305.24506	2.3
321.24164	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.9
53.03946	1.2
55.05507	17.2
57.03428	14.7
57.07078	0.9
60.04520	1.0
65.03919	0.9
67.05491	54.5
69.03409	1.5
69.06705	1.1
69.07054	13.9
71.04987	3.9
73.86893	0.7
79.05470	28.1
81.03392	1.0
81.07040	49.8
83.04958	1.7
83.08600	4.0
88.03973	9.4
91.05461	14.8
92.09268	1.8
93.07021	33.6
95.04950	5.1
95.08583	41.2
97.02867	1.0
97.06532	1.4
97.10172	1.1
98.98460	8.4
105.03377	3.9
105.07013	13.2
107.08585	19.6
109.06520	3.7
109.10139	13.4
111.08096	1.4
114.36977	0.8
117.07024	3.5
119.08549	13.1
121.10127	15.5
123.11678	4.0
129.07005	1.7
131.08554	8.8
133.10121	10.0
135.11658	6.9
137.09613	1.1
141.81277	0.9
143.08565	1.5
144.95406	0.9
145.10150	9.6
147.11668	3.4
149.13176	2.8
153.09073	1.1
155.00955	0.9
157.10143	3.2
159.11681	5.2
161.13275	3.7
163.11157	0.9
163.14742	1.3
171.11668	0.9
173.02025	1.0
173.13271	4.7
175.14815	3.3
177.16437	1.2
184.47034	0.9
187.14807	4.6
189.16237	0.9
196.76791	1.0
201.16333	1.3
203.14220	0.8
205.15765	1.0
213.16386	1.5
219.17406	1.0
261.22220	1.2
271.15656	0.8
309.25772	4.2
335.25739	100.0
348.25244	1.0
355.26205	5.4
439.31857	1.9
459.34442	2.0
460.34946	1.4
465.76611	0.9
467.31454	1.5
485.32309	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.2
51.02360	0.3
53.00283	0.2
53.03939	2.7
55.01863	0.4
55.05506	1.4
57.03418	1.1
57.07056	0.2
61.02917	0.3
64.33322	0.2
65.76424	0.2
67.05489	1.6
69.03416	6.9
69.07054	1.2
71.04978	2.3
73.02896	0.7
77.03906	0.4
79.05476	6.0
81.03403	15.4
81.07040	3.4
83.04968	1.0
83.08607	0.2
85.02892	10.7
85.06535	0.8
87.00818	0.2
91.05476	1.6
93.07034	3.2
95.04946	5.7
95.08586	3.1
96.05370	0.2
97.02873	9.1
97.03497	0.3
97.06521	0.3
97.10159	0.3
99.04437	2.7
99.08098	0.3
102.12798	0.2
105.03378	100.0
105.07004	3.5
106.03709	0.3
107.08580	3.8
108.04452	0.2
108.08882	0.2
109.02866	8.8
109.06520	0.8
109.10147	2.3
110.22860	0.2
111.08074	0.7
115.03937	0.2
117.07013	0.6
119.08572	2.3
120.08862	0.2
121.02792	0.2
121.06471	0.3
121.10117	2.5
123.04406	10.6
123.07992	0.2
123.11724	0.3
125.09583	1.3
127.03899	6.3
127.07568	0.2
127.11209	0.3
127.22519	0.2
129.06949	0.2
131.08566	1.0
133.10107	3.5
135.11687	1.2
137.09579	0.2
139.11133	0.2
143.10625	1.4
145.04947	1.8
145.10109	1.8
147.11664	1.8
149.09642	0.3
149.13246	0.8
157.10106	0.6
159.11620	1.3
161.13202	0.4
163.11107	0.2
165.12683	0.2
167.14322	0.2
173.13283	0.2
175.14841	0.3
177.98643	0.2
179.44966	0.2
185.13173	0.2
188.18840	0.2
189.16425	0.2
201.16333	0.3
203.17792	0.2
209.15482	0.2
212.50443	0.2
219.17432	1.1
231.06480	0.8
249.07527	17.5
267.08597	18.0
287.23557	0.3
305.24603	0.2
447.09729	0.2
538.69733	0.2
539.32098	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.2
53.03941	4.0
55.01862	0.4
55.05509	1.7
57.03419	0.9
57.44481	0.2
59.04979	0.2
61.02897	0.7
67.05490	1.4
69.03416	9.4
69.07050	1.2
71.04978	2.5
73.02917	0.3
77.03909	0.4
79.05048	0.4
79.05471	6.2
81.03400	15.2
81.07050	3.5
83.04955	0.3
83.08615	0.4
85.02885	10.4
85.06523	1.1
87.00807	0.2
88.46488	0.2
91.05471	1.4
92.09107	1.2
93.07021	3.1
95.04949	5.9
95.08580	3.0
96.96185	0.2
97.02259	0.4
97.02870	9.7
97.06512	0.4
99.04437	2.7
99.08048	0.3
105.03374	100.0
105.07011	4.0
106.03727	0.2
106.07355	0.2
107.08575	3.8
108.04446	0.2
109.02860	8.9
109.06503	1.1
109.10130	2.7
111.08014	0.2
111.11742	0.2
115.93369	0.3
117.07009	0.3
119.08562	2.3
121.06498	0.3
121.10122	2.3
123.04403	9.6
123.08085	0.3
123.11696	0.3
125.02336	0.3
125.09612	1.3
127.03893	6.8
127.11212	0.3
131.08543	1.0
133.10097	3.6
135.08035	0.3
135.11685	0.5
139.11182	0.3
143.08539	0.3
143.10652	1.6
145.04922	1.6
145.10098	2.3
147.11647	1.5
149.13245	1.1
153.12596	0.2
157.10101	0.4
159.11644	1.5
161.13193	0.5
167.14316	0.3
171.11612	0.5
173.09618	0.2
173.13257	1.0
175.14769	0.4
201.16324	1.3
209.15398	0.3
219.17482	1.2
231.06480	0.9
249.07527	18.6
260.91736	0.2
267.08572	19.8
287.23660	0.3
304.23367	0.3
305.24719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	0.1
51.02369	0.4
51.74295	0.1
52.91939	0.1
53.03710	0.2
53.03942	3.4
55.01855	0.2
57.03420	0.9
61.02906	0.2
67.00963	0.1
69.03416	7.2
71.01347	0.2
71.04979	1.0
73.02911	0.3
75.04465	0.3
77.03910	0.4
79.05475	4.3
81.03402	14.1
81.07021	0.2
83.04946	0.2
85.02892	9.9
85.06528	0.3
91.05464	0.4
92.08838	0.8
93.07023	0.3
95.04950	5.6
95.05519	0.4
97.02871	9.4
99.04437	2.5
105.03377	100.0
106.03718	0.2
108.04469	0.7
109.02866	9.4
109.03611	0.3
109.06406	0.2
119.04901	0.2
119.08575	0.3
123.04404	9.3
127.03892	6.8
131.08571	0.3
137.05997	0.2
141.08864	0.2
145.02847	0.2
145.04993	1.8
147.04408	0.4
159.11620	0.2
165.05428	0.2
173.13248	0.7
177.05418	0.2
183.06549	0.3
183.27586	0.2
189.09091	0.2
195.06493	0.2
196.10115	0.2
207.06557	0.3
230.48785	0.2
231.06523	1.0
249.07532	20.7
267.08575	19.5
390.57440	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01835	1.0
55.05510	7.5
55.05728	0.8
57.07057	4.6
58.97575	0.9
60.08147	2.1
67.05494	20.9
67.70844	0.9
69.03424	2.0
69.07048	8.1
69.86716	0.8
79.05473	12.5
79.49731	0.9
81.03404	1.5
81.06593	1.9
81.07037	30.5
83.04986	2.0
83.08581	2.4
85.06519	1.4
86.09705	11.2
91.05457	18.7
92.08748	1.3
92.09213	1.3
93.06483	1.8
93.07024	30.3
95.04942	5.5
95.08582	43.5
97.06512	1.8
97.10142	1.2
103.05444	1.4
104.10722	11.3
105.07016	46.1
107.08578	39.1
109.06507	6.1
109.10129	24.3
111.08086	2.3
115.05445	1.1
117.06990	8.8
119.08555	85.4
120.08840	1.1
121.06455	4.1
121.10114	35.0
123.08045	5.4
123.11711	5.6
124.99999	5.3
128.06195	1.3
129.06979	6.0
131.08539	36.6
133.06474	1.2
133.10103	43.6
135.08026	3.7
135.11662	16.0
137.09581	1.4
142.07788	7.1
143.08543	18.0
144.09294	1.7
145.06430	1.2
145.10103	43.9
147.08083	1.8
147.11674	21.5
149.09592	4.9
149.13223	4.0
151.11154	1.2
153.09152	0.9
156.09312	4.7
157.10103	24.6
158.10893	3.7
159.08069	3.6
159.11676	35.7
161.09595	5.1
161.13217	15.5
163.11115	2.2
163.14784	5.4
164.85037	1.1
165.09158	1.2
169.10117	3.9
170.10829	2.0
171.11623	12.6
172.12367	1.1
173.09677	1.2
173.13220	19.5
174.93858	1.0
175.11261	1.6
175.14778	14.3
177.09105	4.0
177.12660	1.6
177.16382	4.3
183.11644	4.9
184.07288	12.9
184.12428	1.2
185.13234	6.5
187.14769	25.5
189.12695	1.7
189.16342	32.2
189.17938	1.7
191.10602	7.2
191.17996	1.2
197.13194	5.2
199.14787	15.5
201.16362	25.0
203.14311	4.3
203.17944	6.8
205.15846	3.7
209.13208	1.2
211.14836	3.6
213.16345	7.6
213.18495	0.9
215.14276	1.4
215.17915	26.1
217.15845	9.0
225.16330	1.2
225.33226	0.9
225.82341	1.0
229.15755	6.8
229.19420	1.6
233.15317	1.3
235.16792	1.9
239.17976	1.3
241.19481	2.0
243.21028	1.8
247.16925	1.2
249.18488	3.4
253.19531	1.3
255.21010	2.0
261.18417	12.6
267.21033	2.3
275.20038	1.2
279.20996	1.5
291.21109	1.1
299.51501	1.0
359.48773	1.0
387.30374	4.2
393.31693	2.9
405.31506	12.8
423.32547	12.0
428.43594	1.0
435.32068	1.1
447.32571	1.4
453.33530	100.0
454.33615	1.1
465.33432	5.1
483.34543	26.7
501.35614	15.5
502.33035	1.2
520.33398	5.9
525.81079	1.2
545.99249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81508	1.2
55.05505	8.5
57.03433	1.2
57.07058	1.7
61.08008	1.1
64.33108	1.2
67.05499	15.4
69.03419	1.4
69.07059	9.6
79.05476	13.4
81.03376	2.1
81.07036	25.8
83.04950	1.2
83.08601	4.1
85.38890	1.0
86.09677	7.6
86.35932	1.0
91.05453	16.0
92.09094	4.3
92.36029	1.0
93.07020	26.7
95.04915	7.9
95.08582	39.7
97.06537	2.6
97.10141	1.6
103.67023	1.3
104.10732	10.3
105.07014	40.1
107.08575	39.5
109.06481	5.1
109.10150	18.6
109.75169	1.5
111.08079	2.2
115.05462	1.3
117.06989	8.2
119.08553	76.3
121.06462	1.5
121.10129	28.2
123.08000	4.3
123.11700	4.8
124.99938	2.5
128.06172	1.7
129.06923	4.4
130.07756	1.4
131.08536	29.4
133.10107	38.4
135.08052	2.4
135.11653	13.1
137.09567	1.8
142.07727	5.7
143.08560	13.9
144.09290	1.3
145.10098	38.7
147.08020	1.8
147.11667	22.0
149.09598	2.6
149.13231	6.0
151.11108	1.5
153.09148	1.2
155.08443	1.7
156.09317	4.9
157.10103	20.8
158.10870	2.2
159.08046	1.9
159.11668	33.5
161.09587	1.7
161.13228	14.4
162.49202	1.5
163.11079	1.4
163.14789	5.3
169.10097	4.3
170.10883	1.9
171.11604	10.7
173.13222	16.2
175.14780	13.7
177.09120	1.9
177.16331	2.3
181.10144	1.1
183.11653	2.7
184.07254	8.7
184.12500	1.9
185.13188	6.5
187.11176	1.2
187.14784	28.7
189.12727	2.0
189.16341	29.1
191.10655	6.7
191.14189	1.2
197.13312	2.0
199.14809	12.6
201.16336	26.8
203.14301	4.4
203.17908	5.0
205.15793	1.9
211.14717	2.0
213.16336	7.5
215.14307	4.5
215.17918	26.6
217.15912	7.9
217.19417	1.3
223.14882	1.6
227.17981	1.3
229.15799	5.0
229.19327	1.6
235.16872	2.0
243.21034	1.8
249.18408	6.7
255.21199	4.0
261.18423	10.7
265.19455	1.4
267.20993	2.0
269.10315	1.2
309.22086	1.3
370.82681	1.3
393.31091	1.5
405.31470	8.7
423.32443	12.4
441.33405	1.2
447.32211	1.5
453.33557	100.0
454.34006	1.7
465.33575	5.7
483.34555	20.7
501.35416	12.6
520.34021	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3314
Annotation	Presenegenin
Peak:m/z	Relative Intensity
51.71360	0.6
53.03936	0.6
55.01860	0.8
55.05495	5.3
59.58960	0.6
61.15586	0.6
63.97408	0.7
67.05489	6.7
69.03423	5.9
69.07056	8.8
71.04974	3.0
79.05480	6.2
81.03391	1.2
81.07039	11.9
83.04975	4.3
83.08604	3.6
85.06548	0.9
91.05465	7.2
92.09079	0.8
93.07022	16.2
95.04949	4.1
95.08583	16.8
97.02884	1.2
97.06503	4.1
97.10159	0.8
99.04425	3.3
103.37026	0.7
105.03383	6.0
105.07014	30.3
107.08578	19.3
109.02893	1.2
109.06495	4.8
109.10143	11.1
111.08063	1.1
113.27424	0.7
117.07032	3.4
119.08548	36.0
120.08874	1.6
121.06495	4.7
121.10112	13.5
123.08057	3.8
123.11683	3.5
128.06174	1.0
129.06984	3.0
130.07700	0.7
131.08546	12.3
133.06487	2.9
133.10106	18.3
134.10529	0.8
135.08080	7.1
135.11694	5.5
137.09627	3.0
142.07802	1.2
143.08548	11.3
144.09337	1.3
145.10101	16.9
146.10431	0.7
147.08009	4.8
147.11678	13.0
149.09637	5.0
149.13272	3.6
151.11157	0.8
153.09059	1.4
155.08536	2.7
156.09314	12.9
157.10086	12.0
158.10907	1.2
159.08060	3.4
159.10371	0.8
159.11671	20.8
161.09587	12.5
161.13210	14.7
163.11197	4.1
163.14787	4.6
163.72806	0.7
165.12755	0.8
168.09308	0.8
169.10132	4.2
170.10921	0.7
171.08040	1.0
171.11664	19.5
173.09633	3.3
173.13228	15.9
175.11180	4.3
175.14783	16.8
177.09198	0.9
177.12773	3.3
177.16304	0.9
179.10707	1.6
181.10071	0.9
183.11671	6.1
185.09702	0.9
185.13219	6.9
187.11169	5.9
187.14754	10.7
189.09132	2.6
189.12732	10.8
189.16342	22.3
191.14357	3.4
191.17952	0.9
195.11681	1.0
197.13301	4.0
199.11192	3.7
199.14780	8.7
201.12727	5.7
201.16438	4.1
203.14354	3.1
205.12181	1.4
205.15874	1.3
207.10223	0.9
207.13773	5.9
209.13268	1.5
211.14757	2.5
213.12759	2.8
213.16452	4.6
215.14296	5.3
217.12280	3.3
217.15807	8.6
219.13849	3.3
221.15379	0.7
223.14847	1.6
225.16438	1.2
227.14317	1.0
227.17957	4.7
229.12109	1.0
229.15892	1.4
231.13832	1.6
231.17549	2.3
235.16945	1.6
239.17932	0.9
243.17227	1.0
245.19096	0.9
247.13158	1.1
257.19003	1.6
265.14069	0.8
275.18021	0.8
309.21976	0.8
401.28244	1.3
419.29431	5.4
435.28912	2.7
437.30325	5.4
447.28912	1.7
453.29877	1.6
455.31314	5.3
465.29727	7.8
473.32620	4.5
483.30753	9.0
501.31995	43.3
519.27197	3.8
519.33112	100.0
520.32971	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95482	3.5
53.03928	3.8
55.05503	13.8
57.07024	3.1
59.04977	3.3
67.05481	20.0
69.03394	6.0
69.07048	22.7
72.47219	3.1
79.05485	25.4
81.03400	5.6
81.07034	64.6
83.04971	8.6
83.08588	6.5
85.02880	5.9
85.06501	3.6
91.05463	29.6
92.08665	3.9
93.07011	53.7
95.04943	14.3
95.08578	81.2
97.10146	5.8
105.03377	26.1
105.06999	90.3
107.04990	3.9
107.08559	73.9
109.06456	11.8
109.10142	45.0
111.08080	5.2
112.64582	3.4
115.05380	5.5
117.06996	17.8
119.08561	100.0
121.06508	17.4
121.10126	42.8
123.04393	4.2
123.08105	6.1
123.11691	15.1
125.09532	3.7
128.06187	8.1
129.06967	21.5
131.08542	67.0
133.06430	4.6
133.10123	58.4
135.08012	27.6
135.11665	26.3
137.09552	8.0
141.07004	5.3
142.07739	8.7
143.08540	55.5
145.06409	8.2
145.10083	83.6
147.08000	17.9
147.11653	35.5
149.09595	13.6
149.13264	15.7
153.09023	4.2
155.08516	19.5
156.09315	22.0
157.10075	64.6
158.10901	15.9
159.08032	23.9
159.11684	53.2
161.09569	15.5
161.13229	28.3
163.07437	4.0
163.11118	6.0
163.14784	8.2
168.09207	5.0
169.10097	22.7
170.10847	6.7
171.08083	4.1
171.11647	48.6
173.09619	31.5
173.13222	47.8
175.11143	13.6
175.14760	37.1
177.09090	5.3
177.12747	6.5
177.16350	16.1
180.09358	4.1
181.10121	8.0
183.11649	35.0
185.09569	9.0
185.13153	27.3
187.11166	17.0
187.14790	35.5
189.12659	15.8
189.16350	33.5
193.10095	4.1
194.10847	4.0
195.11690	20.1
197.13197	16.3
199.11166	24.0
199.14743	22.4
201.12694	39.5
201.16423	25.3
203.14365	8.6
203.17795	6.0
209.13246	15.1
211.14864	5.6
213.12769	7.5
213.16270	7.1
215.14258	8.5
215.17833	5.3
217.12140	16.5
219.13698	6.0
227.17911	4.5
229.15855	5.5
239.14264	3.9
241.19464	4.5
247.16888	6.4
249.14761	26.2
265.14285	7.2
267.16003	6.0
275.48193	4.0
283.15131	6.2
332.03979	3.7
371.26974	5.2
389.28323	4.6
401.28183	6.0
407.29510	5.9
411.05673	4.9
417.27689	7.3
419.29263	23.2
435.28632	20.6
437.30524	36.3
447.28705	6.1
453.29886	38.5
455.31253	8.8
465.29803	20.6
473.32510	40.2
483.30972	48.2
501.32181	31.3
519.25134	4.8
519.32373	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	519.2926
Annotation	Segetalin G
Peak:m/z	Relative Intensity
52.69809	1.0
55.05503	1.9
57.03418	1.3
67.05483	4.9
69.07071	1.5
73.06253	1.0
78.70251	1.4
79.05463	5.8
81.07027	5.4
91.05431	2.6
92.09216	7.1
92.93372	1.0
93.07018	5.0
94.33704	1.2
95.04897	2.0
95.08557	3.0
105.06991	2.7
107.08575	7.3
109.10127	1.4
119.08537	5.4
121.10121	4.8
131.08522	2.4
133.10135	2.9
135.11685	1.3
145.10126	1.8
147.11646	1.4
152.40742	1.4
159.11670	1.8
159.52538	1.5
189.12764	1.5
235.13101	1.5
251.12543	5.5
291.15445	4.5
338.67392	1.3
498.32541	1.7
519.29102	100.0
520.83459	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3313
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
55.01861	1.5
55.05507	13.8
57.03419	2.2
58.01085	1.1
65.01262	1.2
67.05484	16.9
69.03405	9.6
69.07043	15.2
71.01337	3.1
79.05470	19.1
81.07034	43.3
83.04947	5.2
83.08595	11.7
85.02877	2.3
85.06513	2.0
91.05459	22.1
92.08731	2.7
93.07018	42.2
94.98844	1.4
95.04945	8.4
95.08584	79.3
97.02876	6.1
97.06544	1.9
97.10121	3.2
99.04420	1.8
105.04496	1.4
105.07010	54.8
107.04955	2.5
107.08575	53.2
109.06490	6.1
109.10135	31.1
111.04420	22.7
111.08063	1.3
115.03921	1.7
117.06983	10.5
119.08549	100.0
121.06459	5.4
121.10107	44.4
123.04428	1.3
123.08009	2.9
123.11671	10.0
125.05937	1.4
128.06200	3.0
129.05472	2.7
129.06984	10.9
131.07622	2.6
131.08534	35.8
133.06508	2.2
133.10097	55.2
135.08038	5.6
135.11658	21.4
137.05934	2.9
137.09560	1.4
139.07481	1.7
141.06958	2.8
142.07790	10.6
143.08530	27.7
144.09303	3.1
145.06448	2.8
145.10091	40.0
147.08032	8.0
147.11656	38.4
149.05934	7.3
149.09615	6.5
149.13237	20.2
151.07536	1.7
151.11156	1.7
153.06979	1.6
153.09097	3.3
155.08543	12.4
156.09363	11.4
157.10086	24.2
158.07208	1.6
158.10881	1.6
159.08069	9.5
159.11661	25.8
161.09589	8.5
161.13200	16.9
163.07526	3.2
163.11136	3.0
163.14801	21.5
165.06941	1.9
165.09064	1.5
165.16368	1.3
167.10672	5.3
168.09276	6.3
169.10089	10.5
170.07253	1.6
170.10857	2.7
171.07999	8.0
171.11646	21.6
172.08752	2.2
173.09587	10.9
173.13222	19.4
175.07521	2.2
175.11177	11.1
175.14764	20.1
177.09100	2.8
177.12663	2.1
177.16360	31.6
179.17950	1.6
181.10112	7.2
183.08160	1.7
183.11630	16.4
184.08789	1.7
185.09586	7.0
185.13220	9.9
187.11197	11.8
187.14745	16.9
189.12706	10.5
189.16341	59.1
191.10654	2.7
191.17894	17.2
193.15884	10.9
195.11702	5.3
197.09668	1.8
197.13177	6.4
198.10379	1.7
199.11148	29.5
199.14709	4.4
201.12715	16.6
201.16357	11.1
203.10616	7.9
203.14336	2.4
203.17921	26.8
205.12186	5.2
207.11786	1.5
207.17436	7.0
209.13181	1.9
211.11137	5.3
213.12643	11.4
213.16464	4.9
215.14371	4.8
215.17924	6.0
217.12134	12.2
217.15868	2.3
223.11200	1.7
225.12738	2.6
227.14197	1.9
227.17937	2.9
229.12181	10.3
231.13719	5.6
233.15265	2.5
235.13161	2.2
235.16924	7.5
239.17867	1.6
243.13657	2.2
245.15308	1.7
247.13150	10.7
249.18457	3.0
255.21346	1.6
265.14404	6.2
265.19302	1.3
277.14084	2.4
283.15283	2.0
293.19092	2.7
305.18948	2.2
309.25653	6.6
341.21048	2.7
389.28226	8.9
391.29587	1.9
401.28323	3.1
407.29388	13.9
419.29260	11.9
425.30679	2.4
435.28815	27.7
437.30362	31.8
447.28741	3.1
453.29773	5.8
455.31372	27.7
465.29861	8.1
473.32498	25.2
483.31049	29.8
501.32123	2.8
519.33038	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32600	0.8
53.03930	1.4
54.23330	0.9
54.82047	0.8
55.01861	1.5
55.05505	18.9
56.16178	0.9
57.03431	2.0
57.05821	0.9
57.07066	2.0
59.04979	1.6
62.63815	0.8
67.05498	13.0
69.03416	9.4
69.07049	12.3
70.06567	5.9
70.20330	0.8
71.04968	6.2
72.08138	100.0
73.08500	1.0
79.05470	8.5
81.03406	5.3
81.07041	26.3
82.07372	1.9
83.04962	4.9
83.08613	2.4
84.08131	37.5
85.02885	6.4
85.06535	5.9
86.06054	14.9
91.05448	10.6
92.08932	1.4
93.07023	21.7
94.07333	1.0
95.04950	11.4
95.08583	18.8
96.08968	1.4
96.48551	0.9
97.02885	2.2
97.06515	5.5
97.10130	1.6
99.04379	1.2
99.34390	1.1
105.03379	15.4
105.07013	19.2
106.07332	1.6
107.04926	1.3
107.08574	18.6
108.08907	1.6
109.02853	1.9
109.06512	3.9
109.10149	13.3
111.04430	1.6
111.08055	4.4
112.07594	5.9
114.05517	13.7
117.07033	3.4
119.04932	2.3
119.08548	15.8
120.08882	1.6
121.02869	1.5
121.06461	1.4
121.10104	14.5
122.10423	1.1
123.04400	1.7
123.08065	2.5
123.11700	6.5
125.09617	4.6
127.03908	1.6
127.07477	1.5
129.06963	3.9
131.04881	1.1
131.08572	9.6
132.08041	2.3
133.06500	1.2
133.10100	13.6
135.08073	3.6
135.11656	6.3
136.07552	18.0
137.05965	11.9
137.09590	4.1
138.12701	1.3
139.11182	1.0
139.51132	1.0
142.07678	2.1
143.08545	5.7
143.10635	1.5
145.10098	12.7
146.10487	1.5
146.95862	1.0
147.04362	7.6
147.08069	1.4
147.11670	11.2
149.09625	4.0
149.13248	3.8
151.11182	1.6
155.08540	1.4
156.09277	1.3
157.10107	8.0
159.06783	2.0
159.11659	8.2
160.07565	11.0
161.05930	1.7
161.09610	1.9
161.13226	4.5
163.11208	1.6
166.12257	1.3
169.10220	1.5
169.12172	1.3
171.11630	1.9
173.09502	1.5
173.13258	4.8
174.12784	5.1
175.14801	4.5
177.05399	8.1
177.12680	1.6
177.16388	1.1
179.07013	8.9
183.11322	8.0
183.14893	2.4
184.41241	0.9
185.09544	16.0
185.13228	1.5
187.14778	4.3
188.06952	1.6
189.12727	1.5
191.10637	4.0
191.14360	1.6
196.09656	15.1
197.13103	3.9
199.14822	4.0
201.16345	1.7
202.12239	91.8
203.10635	96.1
211.14420	4.3
212.10818	3.6
213.09044	8.1
213.16138	1.1
217.12262	2.3
217.15831	1.3
219.06441	1.6
225.12346	18.5
225.16136	1.1
229.13306	1.6
230.11688	4.8
235.16846	1.3
240.10106	1.2
245.11691	40.0
247.14516	3.3
248.09123	1.3
262.14322	52.3
267.08728	1.5
272.12753	4.0
279.17020	8.3
285.22141	1.9
287.05359	1.7
289.15475	4.4
290.13828	7.7
295.16443	12.7
296.19696	6.2
303.23245	5.0
304.23578	1.3
307.16455	8.8
314.02734	1.1
321.24313	1.3
321.62912	1.2
324.19135	11.8
339.25192	1.3
356.36569	1.4
361.21152	11.5
378.24005	4.2
389.20660	2.3
406.23340	19.4
420.21191	8.7
434.23047	1.1
455.31482	1.3
476.16351	1.0
491.28110	4.1
495.24112	1.3
501.26907	1.4
519.20380	1.8
519.27936	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95757	5.6
53.00291	6.0
55.05497	15.8
60.04495	8.8
67.05486	34.2
69.07050	10.1
79.05466	36.7
81.07041	100.0
83.08607	8.9
91.05455	49.7
92.08726	38.8
92.09364	16.5
93.07024	92.6
95.04957	13.5
95.08585	70.8
105.07016	91.3
107.08569	49.2
109.10178	16.9
117.06997	9.2
119.08576	90.3
121.10126	51.3
125.54101	6.3
131.08531	28.8
133.10112	39.0
135.11674	13.4
143.08545	12.8
145.10121	53.1
147.11674	43.1
157.10130	14.0
159.11708	53.3
173.13187	9.7
185.13164	10.9
187.14725	15.5
189.16293	8.8
194.91888	7.4
213.16331	11.3
244.93922	7.8
260.31064	7.0
377.87070	6.7
452.61166	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	518.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	11.8
59.04961	5.3
60.80627	3.9
63.27377	4.8
67.05497	40.5
67.05791	5.0
69.07044	20.6
79.05483	23.9
81.07037	100.0
83.08601	4.3
90.11491	4.8
91.05451	35.6
92.08792	11.0
92.09290	6.5
93.07017	65.9
95.04910	9.7
95.08576	57.6
105.06999	56.3
107.08559	47.8
109.06506	12.2
109.10149	26.5
110.01338	4.5
117.06993	6.1
119.08566	41.8
121.10110	33.8
131.08543	9.5
133.10098	20.4
143.08534	7.5
145.10107	30.5
147.11699	11.9
157.10086	7.3
159.11633	29.1
161.13176	8.3
173.13161	6.5
201.47255	4.9
213.16333	9.0
254.12131	5.0
518.37402	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	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07870	0.4
60.08152	10.1
67.05472	0.7
71.07365	4.4
85.89610	0.4
86.09695	49.5
92.08920	0.7
95.08559	0.5
98.98471	4.3
101.45107	0.4
104.10725	3.6
113.70945	0.5
124.99989	35.0
160.36496	0.4
184.07307	100.0
315.70514	0.4
408.09134	0.5
500.31433	0.7
508.86511	0.5
518.32275	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
58.06599	1.0
60.08151	24.2
67.05486	4.4
71.07368	7.1
72.80811	0.7
74.13580	0.7
79.05460	1.7
81.07031	3.7
86.09689	74.2
91.05452	0.8
92.08753	4.1
93.07008	4.1
95.08569	1.4
98.98409	6.3
104.10725	100.0
119.08587	1.4
124.99979	41.8
149.09799	0.8
152.97821	0.8
184.07307	95.4
186.17638	0.9
221.39015	0.9
307.91544	0.8
334.32376	0.9
336.19318	0.9
347.05258	0.9
388.54623	0.8
500.31332	7.0
518.32343	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	518.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.6
60.08154	25.2
64.32881	1.2
67.05487	11.7
69.07052	2.6
71.07362	9.2
79.05471	5.8
81.07040	16.8
83.08614	2.2
85.06489	1.3
86.09695	76.1
91.05478	7.3
92.09203	6.4
93.07037	7.9
94.00262	1.2
95.08601	13.8
97.10123	1.1
98.98456	2.7
104.10730	100.0
105.07028	5.4
107.08604	6.7
109.10137	2.6
110.66980	1.1
119.08543	7.5
121.10141	4.9
124.99985	41.4
131.08531	4.7
131.97145	1.2
133.10138	2.1
135.11635	1.8
135.45125	1.1
145.10127	2.0
145.94524	1.4
147.11635	5.0
157.10110	1.9
159.11633	4.8
184.07318	99.1
187.14848	2.3
203.14388	1.5
214.16814	1.2
255.17041	1.4
338.27515	1.5
374.80200	1.2
483.30762	1.4
500.31265	8.9
517.27350	1.6
518.32654	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	518.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.1
55.05503	0.1
57.03444	0.1
59.04970	0.1
59.17418	0.1
61.02913	0.1
64.33792	0.1
65.03934	0.3
66.62305	0.1
67.05489	0.1
69.03403	0.9
69.07048	0.1
70.06599	0.1
72.08182	0.1
72.18104	0.1
73.02876	0.1
81.03412	0.2
81.07037	0.1
83.04971	0.4
83.08589	0.2
84.08154	0.1
85.02906	1.7
87.04449	0.1
91.05462	5.4
92.08608	0.2
92.09231	0.5
93.07027	0.1
97.02886	0.5
99.04395	0.1
109.02878	0.1
119.04921	21.0
123.04384	0.1
127.03872	0.1
137.05936	0.1
142.81796	0.1
147.04388	100.0
148.04684	0.1
163.03761	0.1
165.05479	0.2
177.05489	0.1
203.03375	0.2
292.71512	0.1
309.09671	0.1
339.10724	1.6
355.16910	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	517.3518
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
53.03928	1.7
54.09860	0.8
55.01860	1.0
55.05502	12.7
57.03425	2.1
57.07059	2.3
60.08153	1.0
67.05484	15.3
67.73759	1.0
69.03403	2.1
69.07044	13.5
71.04967	2.3
73.32022	1.2
79.05471	16.8
81.07033	38.6
83.04968	5.7
83.08598	6.6
85.06539	1.7
86.09689	7.3
91.05459	17.9
92.08711	1.3
92.09191	2.4
93.07023	37.2
95.04953	6.5
95.08579	47.1
97.06509	4.6
97.10151	1.4
104.10714	6.5
105.07006	54.6
107.04935	1.2
107.08569	51.5
109.06487	13.0
109.10139	22.2
111.08073	2.7
115.05431	1.2
117.06977	12.7
119.08556	70.6
121.06456	8.7
121.10115	42.4
123.08041	8.9
123.11700	7.4
124.99974	2.0
125.09613	2.7
129.06941	5.7
131.08537	51.3
133.06520	1.2
133.10103	48.7
135.08037	13.8
135.11656	20.2
137.05963	4.5
137.09583	5.2
139.07520	2.1
141.07008	1.5
142.07755	2.7
143.08521	21.0
143.09470	1.4
144.09311	2.4
145.10098	89.2
146.10796	1.7
147.08043	11.2
147.11659	31.8
149.09596	6.6
149.13216	9.8
151.07576	4.5
151.11192	1.9
154.20767	1.1
155.08586	4.3
156.09338	5.3
157.10107	22.8
158.10881	4.7
159.08029	6.4
159.11652	45.3
161.09520	9.6
161.13214	26.2
163.07478	2.6
163.11154	7.1
163.14803	13.7
165.09061	4.8
169.10149	7.6
170.10878	2.5
171.11656	18.3
172.12430	4.2
173.09583	5.1
173.13226	50.6
173.14731	2.1
175.11191	8.2
175.14783	45.8
177.09003	7.8
177.12721	4.4
177.16354	13.8
179.08475	1.1
181.10081	1.4
182.10957	4.7
183.11731	8.1
184.07372	10.0
185.13210	19.7
186.13928	1.1
187.11211	2.7
187.14780	61.6
187.16452	2.5
189.12749	11.0
189.16356	21.3
191.10690	2.4
191.14240	7.6
195.11755	2.2
197.13164	10.3
199.14778	22.8
201.12660	5.1
201.16347	93.0
203.14330	11.3
203.17973	8.6
205.12312	1.3
207.13834	5.4
209.13216	2.4
211.14879	4.6
213.12886	1.6
213.16339	20.9
215.14359	13.5
215.17906	28.5
217.15862	4.6
217.19411	1.3
219.11836	1.2
219.13788	4.1
221.13388	1.2
221.15280	8.1
223.14819	1.4
225.16356	4.5
227.14310	2.4
227.17880	10.2
229.15871	5.1
229.19554	5.7
231.13870	1.2
233.15385	8.7
239.18048	1.6
241.19492	2.4
245.15440	1.4
247.16911	5.2
247.20526	4.6
251.16231	2.0
253.19464	4.0
255.17456	1.5
255.21072	4.8
261.18356	13.2
263.16183	1.5
265.17853	1.9
267.15689	1.7
267.20990	2.0
269.22333	1.8
273.18619	1.6
281.17453	6.0
295.20477	1.4
302.17957	1.3
391.29810	2.4
403.29950	12.2
409.30524	1.3
421.30948	22.0
437.30283	1.8
439.31927	25.6
449.30301	6.2
451.32031	9.3
457.33032	100.0
458.33063	1.7
463.31934	9.3
481.33224	12.9
485.32919	2.2
486.25281	1.4
499.34177	7.7
517.34998	18.5
518.32214	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12942	1.2
53.03935	2.4
55.05503	11.9
57.07064	2.7
66.83897	1.3
67.05493	14.8
69.03413	6.0
69.07039	9.9
79.05471	13.1
81.07030	28.3
83.04958	2.4
83.08600	2.9
87.39821	1.6
91.05445	17.6
92.09010	12.5
93.07024	31.5
95.04961	7.2
95.08585	54.7
97.06487	6.6
98.51523	1.6
105.07006	53.7
105.52449	1.3
107.08575	53.8
108.48213	1.4
109.06495	10.0
109.10145	21.7
111.08064	2.9
115.05443	2.1
117.06994	10.3
119.08557	100.0
119.95898	1.8
121.06481	11.1
121.10130	34.3
123.08050	7.1
123.11696	6.9
129.06956	6.0
131.08534	41.6
133.06480	3.0
133.10101	51.4
135.08034	12.5
135.11708	10.8
137.05937	2.2
137.09586	3.5
142.07751	3.2
143.08536	21.0
144.09337	3.7
145.10091	77.5
147.08043	7.5
147.11632	26.7
149.09572	8.4
149.13252	6.1
155.08585	2.8
156.09322	6.8
157.10106	21.9
158.10927	2.9
159.08029	7.4
159.11658	40.2
161.09583	15.8
161.13203	17.1
163.07637	2.0
163.11194	6.2
163.14799	7.7
165.09138	2.2
169.10098	9.6
170.10881	3.3
171.11617	12.6
172.12497	2.7
173.09589	8.0
173.13197	33.1
175.11147	8.9
175.14781	21.1
177.09100	9.0
177.12769	3.2
177.16306	17.8
182.10890	2.2
183.11664	8.2
185.13202	13.6
187.11186	3.2
187.14774	40.5
189.12701	10.7
189.16362	33.5
191.10559	15.3
191.14198	1.7
195.11726	2.2
197.13284	9.0
199.11153	3.2
199.14825	3.6
201.12692	6.2
201.16322	34.6
203.14314	14.1
203.17955	6.7
205.12689	1.7
205.15883	6.8
207.11783	2.4
207.13698	2.1
209.13173	6.1
211.14758	6.9
213.12726	3.5
213.16345	3.8
215.14282	11.1
215.17978	10.2
217.15857	3.1
219.13716	2.4
221.15201	2.0
223.14882	2.4
227.17979	2.6
229.15849	7.6
229.19507	6.8
231.13570	2.1
233.15358	9.4
245.15273	1.8
247.16927	3.4
249.18507	8.1
251.16335	8.4
253.19542	2.0
261.18472	14.5
289.00119	1.6
307.20554	1.7
325.21616	2.2
391.29785	2.8
403.29858	7.4
419.28934	1.7
419.57474	1.8
421.31003	20.0
437.30322	1.8
439.32056	20.2
457.33020	19.0
463.31873	6.7
467.31329	2.5
481.33359	12.3
499.34399	2.2
517.34937	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3522
Annotation	Lycernuic ketone B
Peak:m/z	Relative Intensity
55.05502	3.8
57.07075	1.1
60.08158	0.7
67.05504	5.5
69.07047	5.6
69.09962	0.8
71.04984	0.7
77.00403	0.7
79.05486	6.5
80.19510	0.7
81.07044	13.4
83.04971	5.1
83.08619	1.6
85.03776	0.7
86.09690	0.8
88.55042	0.7
89.48779	0.7
90.84676	0.8
91.04967	0.7
91.05445	6.0
92.08866	1.8
93.07023	15.5
95.04959	3.7
95.08595	19.0
97.06532	3.5
97.10168	1.0
97.86269	0.8
104.10736	1.2
105.07021	30.2
107.08575	18.5
109.06497	3.4
109.10144	7.0
117.07008	1.7
119.06091	0.8
119.08569	34.0
119.09388	1.4
121.06509	4.3
121.10132	18.2
121.10968	0.9
123.08048	4.5
123.11710	0.9
125.09598	1.2
128.06255	0.9
129.07022	1.8
131.08562	11.1
133.06383	0.8
133.10115	16.0
135.08083	4.6
135.11665	6.5
137.09639	3.2
142.07668	1.0
143.08548	8.1
144.09322	1.0
145.10115	16.7
147.08084	3.1
147.11674	9.9
149.09583	6.4
149.13196	2.5
152.01030	0.7
155.08560	1.9
156.09424	1.7
157.10135	11.2
158.10910	1.0
159.08061	1.2
159.11688	14.2
161.09598	10.8
161.13217	5.8
163.11176	3.1
163.14801	6.0
169.10094	3.5
170.10785	1.2
171.07954	0.9
171.11629	8.8
173.09645	3.3
173.13222	11.8
175.11195	3.1
175.14807	13.7
177.16382	1.4
181.10223	0.9
183.11618	2.4
184.07266	1.1
185.13222	6.7
187.11290	1.5
187.14796	13.9
189.12709	6.0
189.16353	18.6
191.14261	3.1
195.11790	1.7
197.13263	4.9
199.11234	1.0
199.14708	7.0
201.12663	3.5
201.16460	4.9
203.14346	4.8
205.15942	3.5
209.13307	1.0
211.14752	1.8
213.12801	3.3
213.16351	1.3
215.14323	6.2
217.15947	5.1
227.17950	1.8
229.15898	2.8
229.19412	1.1
231.13681	6.3
239.17862	1.2
241.15770	1.1
243.17497	1.7
243.21101	1.0
249.14828	1.7
253.19568	1.6
257.19128	1.6
267.15958	0.9
271.20578	1.5
279.20956	0.9
291.21436	0.8
295.20593	0.9
297.21985	1.9
299.19977	0.9
337.25131	1.0
391.29865	1.9
403.29950	11.7
421.30948	26.6
421.36359	1.1
439.32068	7.0
451.32251	1.8
457.33075	18.7
463.32126	8.6
481.33078	20.0
481.39789	1.2
499.34171	11.0
517.35217	100.0
518.35547	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16982	2.1
55.05499	16.2
57.03439	3.1
57.07079	3.5
67.05485	16.6
69.03407	12.2
69.07060	20.2
71.04964	5.4
71.50563	1.9
79.05477	20.0
81.07029	38.5
83.04971	9.3
83.08605	8.9
85.02872	4.4
85.06510	8.9
91.05473	23.1
93.07023	36.6
95.04965	16.9
95.08583	46.6
96.08949	2.2
97.06491	9.0
97.10123	2.3
103.05461	2.6
105.03354	9.7
105.06352	3.8
105.07007	51.8
107.08571	53.9
109.06490	12.0
109.10123	25.1
111.08023	2.8
113.05970	17.9
113.11572	2.2
117.06985	14.2
119.08556	82.6
121.06474	10.7
121.10128	37.7
123.08053	14.0
123.11676	3.4
129.06960	4.0
131.08536	48.3
132.42902	2.4
133.06458	3.2
133.10109	61.1
135.08031	12.4
135.11681	20.8
137.09605	9.5
143.08568	20.1
145.06415	3.2
145.10106	90.3
147.08037	8.6
147.11664	37.7
149.09564	4.0
149.13220	11.1
151.07510	2.6
151.11205	2.8
155.08519	4.1
156.09315	5.0
157.10112	30.2
158.10814	2.7
159.08018	3.9
159.11659	60.8
160.12102	2.7
161.09579	9.0
161.13216	23.1
163.03935	2.6
163.07568	3.8
163.11072	5.1
163.14771	17.3
165.09163	3.0
165.12692	2.6
169.10121	11.4
170.10930	3.9
171.11697	20.8
172.12355	2.6
173.09596	9.8
173.13222	52.5
175.11197	9.0
175.14781	50.0
177.09116	4.1
177.12683	2.7
177.16371	14.9
179.96225	2.7
183.11650	12.1
185.13206	21.5
185.37343	2.2
187.11136	4.3
187.14777	64.3
189.12701	10.2
189.16345	23.1
191.10706	2.4
191.14262	5.5
197.13158	5.4
199.14751	20.8
201.12657	4.1
201.16342	100.0
203.14294	10.0
203.17949	3.6
209.13268	5.3
211.14694	9.2
213.12660	2.4
213.16283	18.8
215.14267	13.4
215.17851	20.8
219.13686	2.7
227.14326	2.9
227.17909	4.7
229.15762	3.8
229.19533	10.4
233.15318	4.4
235.16812	2.8
241.19452	3.7
247.16794	3.9
253.19284	4.5
255.20982	2.6
261.18420	17.1
403.30151	3.6
421.30963	26.3
438.74185	2.7
439.31799	24.8
451.32520	4.8
457.33109	97.9
463.32010	3.5
467.31183	2.9
481.33411	5.4
499.34174	3.5
517.23535	5.6
517.30243	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	517.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78703	1.8
64.00735	2.2
75.49637	2.4
81.07022	3.0
85.10959	2.3
92.08675	3.4
92.09232	8.5
102.11200	2.4
111.47697	2.1
207.03113	2.3
246.05067	2.3
328.45294	2.6
449.61823	2.8
452.41510	3.0
457.32764	75.3
457.51297	3.1
517.38812	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	517.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.01837	2.3
55.05499	17.5
55.05721	1.8
57.03415	2.9
57.07067	3.0
58.48153	1.8
59.04991	2.1
62.57327	1.7
67.05480	19.5
67.38644	2.4
69.03399	12.6
69.07049	18.6
70.96679	2.0
71.04967	4.3
73.50826	1.9
79.05470	21.9
79.57708	2.0
81.07035	53.1
81.90498	1.9
83.04978	5.3
83.08599	4.1
85.02889	2.6
85.06528	4.4
85.84502	2.0
91.05451	29.8
93.07017	50.0
95.04942	13.8
95.08579	57.7
97.02882	3.3
97.06475	9.0
101.55322	2.1
103.05496	2.0
105.03371	13.4
105.07011	94.7
107.08573	53.5
109.02837	3.1
109.06483	13.0
109.10129	25.7
111.08028	4.3
117.06985	18.7
119.08553	79.9
121.06484	15.9
121.10117	42.1
123.08038	4.6
123.11662	5.3
128.06194	4.6
129.06985	13.8
131.08539	63.5
133.06454	3.7
133.10104	87.6
135.07985	5.2
135.11632	15.4
137.09590	10.4
141.06938	3.0
142.07765	9.0
143.08530	33.2
145.06427	4.8
145.10106	100.0
147.04417	8.6
147.08029	10.2
147.11670	57.2
149.09592	11.7
149.13239	12.7
151.11099	3.4
155.08524	11.8
156.09285	9.4
157.10097	47.7
158.10796	3.0
159.08035	8.3
159.11659	64.2
161.09560	12.4
161.13170	26.7
163.11125	16.8
163.14809	12.4
165.09088	2.2
167.08488	2.6
169.10022	18.0
170.10884	4.4
171.11687	32.6
172.12309	3.0
173.09589	2.4
173.13216	59.4
175.11201	16.4
175.14761	28.8
177.05463	2.1
177.09085	11.2
177.12614	4.6
177.16345	4.8
179.14323	4.1
181.10146	2.3
183.11607	14.4
184.12419	2.5
185.13190	29.5
187.11150	4.2
187.14816	48.1
189.09013	8.0
189.12709	9.0
189.16360	14.0
191.14304	24.5
195.11610	5.2
197.13223	5.2
199.14832	34.5
201.12682	3.9
201.16339	18.5
203.14320	22.8
203.17957	3.0
205.15881	31.5
207.13780	3.1
209.13228	2.6
211.14827	9.9
213.16339	12.4
215.14307	9.4
215.17854	4.1
217.15756	16.5
219.17348	10.3
221.15337	13.6
225.16338	2.6
227.14220	3.8
227.17967	2.6
229.15805	3.8
231.17407	4.4
233.15268	9.6
235.16927	3.2
239.16347	12.1
243.17281	3.5
245.18944	3.0
247.16917	10.3
251.16212	3.7
257.18900	4.4
259.16745	3.7
265.17938	4.7
269.18915	3.5
283.20596	2.9
301.21570	2.7
316.79465	2.1
391.29688	9.9
403.29727	10.1
409.30792	12.1
419.29160	2.3
421.30862	16.2
439.32306	15.8
451.31702	10.9
457.33026	11.3
463.31976	3.8
469.32965	11.6
471.31061	2.7
481.32755	11.2
499.34341	6.4
517.21771	2.5
517.35583	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	517.3159
Annotation	Probucol
Peak:m/z	Relative Intensity
50.39156	1.2
52.91328	1.4
53.03927	1.8
54.81301	1.5
55.05490	8.8
67.05495	14.6
69.03401	7.4
69.07047	13.3
71.01359	1.5
79.05466	11.4
81.07035	27.9
83.04951	7.6
83.08605	3.7
85.02879	3.9
91.05459	18.5
92.08982	12.7
93.07024	28.9
93.40368	1.5
95.04951	11.0
95.08576	29.6
97.02869	3.4
97.06540	2.6
97.10133	2.2
99.04414	2.2
105.03390	1.9
105.07008	51.5
107.04939	6.6
107.08582	39.4
109.06486	6.4
109.10149	17.9
111.04427	6.7
111.08018	1.8
111.93910	1.6
115.03871	3.2
115.05414	1.9
117.06982	12.0
119.04885	2.0
119.08553	100.0
121.06462	7.8
121.10123	25.2
123.08022	3.0
128.06152	2.3
129.06990	9.7
130.07704	2.0
131.07629	2.5
131.08534	44.0
133.06467	7.3
133.10098	45.5
135.07991	6.5
135.11690	11.8
137.09518	2.2
140.98672	1.8
141.06979	2.2
142.07748	6.6
143.08548	25.3
144.09279	3.8
145.06493	3.1
145.10101	55.5
146.96689	1.8
147.08046	9.9
147.11673	22.9
149.05957	2.6
149.09627	3.2
149.13254	10.3
151.07477	3.0
151.11105	1.8
155.08516	9.4
156.09319	8.3
157.10101	23.0
158.10794	2.1
159.08023	7.2
159.11656	33.7
161.09599	6.8
161.13200	18.7
163.07481	3.0
163.14787	13.6
167.80797	1.5
168.09372	2.3
169.10068	11.2
170.10873	2.9
171.08044	3.3
171.11613	16.2
172.12480	2.0
173.09598	10.7
173.13193	23.9
175.07607	2.6
175.11188	6.9
175.14764	26.2
177.12601	1.7
177.16370	21.7
179.10718	1.9
181.10098	2.7
183.11659	13.5
185.09583	8.4
185.13185	16.9
187.11127	11.0
187.14775	45.9
189.12733	8.5
189.16307	15.4
191.14250	2.3
195.11685	6.3
197.13220	3.4
198.13879	2.2
199.11140	10.7
199.14772	11.1
201.12700	6.4
201.16382	42.6
203.10632	3.0
203.17931	6.1
205.12292	2.1
205.16000	2.3
209.13190	2.7
211.11104	2.6
211.14771	3.5
213.12769	6.7
213.16333	7.2
215.10695	2.2
215.14319	2.1
215.18047	3.0
217.12152	6.7
219.13721	2.2
221.13354	2.1
221.15402	2.6
225.16298	2.6
227.17963	7.0
229.12157	2.7
231.13698	2.7
235.16888	3.1
241.19502	2.3
247.13182	7.9
247.16930	2.9
253.14076	1.7
261.14938	3.0
265.14255	2.1
281.13675	7.1
295.15286	2.4
333.25323	1.7
341.15787	1.7
384.03442	1.8
387.26678	6.7
399.26611	2.6
405.27847	3.7
417.27847	7.6
423.28735	2.4
433.27124	10.4
435.28790	21.9
437.29861	2.0
451.28214	2.1
453.29938	34.0
463.28516	3.8
471.30997	41.2
481.29288	23.3
499.29828	2.8
517.31555	3.0
522.72772	1.9
540.69403	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3159
Annotation	Ceanothetric acid
Peak:m/z	Relative Intensity
55.05492	27.3
56.96556	3.7
57.03426	3.2
57.07087	3.0
59.99199	2.6
67.05489	24.3
69.03412	16.0
69.07056	28.6
71.04988	4.9
75.48563	2.8
78.45008	3.3
79.03168	3.1
79.05477	25.4
79.09981	3.0
81.03397	5.1
81.07033	65.8
83.04967	7.4
83.08615	6.5
85.02910	22.8
91.05450	34.2
92.08958	23.2
93.07009	69.7
95.04967	27.4
95.08589	82.9
97.02856	4.6
97.06519	7.2
103.05505	4.2
105.03395	7.9
105.07009	83.2
107.08576	71.5
108.91235	3.0
109.06526	16.6
109.10116	36.0
111.04427	5.1
111.08049	5.3
114.90602	3.7
117.07034	22.3
119.08559	100.0
121.06506	13.3
121.10111	53.6
122.10448	5.7
123.08011	6.1
123.11668	6.0
123.17468	3.3
125.09541	4.2
128.06204	4.8
129.06999	23.0
130.07811	4.7
131.08534	58.0
133.06496	4.6
133.10094	55.1
135.08029	27.0
135.11678	21.2
137.05966	6.7
137.09647	4.3
141.06990	4.8
142.07784	7.8
143.08553	34.0
144.09297	6.3
145.06482	7.1
145.10106	78.8
147.08041	14.3
147.11676	37.1
149.05980	7.2
149.09602	7.4
149.13185	11.7
151.07611	3.6
153.03984	3.6
155.08545	20.7
156.09346	15.6
157.10109	48.7
158.10788	4.3
159.07986	26.4
159.11665	61.9
161.09615	23.3
161.13246	21.7
163.03851	4.6
163.07539	4.4
163.11182	6.2
163.14812	18.2
168.09329	5.2
169.08662	6.5
169.10138	25.1
171.08092	10.7
171.11690	38.8
172.08755	3.3
173.09619	18.9
173.13190	28.6
175.11140	13.5
175.14821	18.8
177.09137	6.5
177.16353	22.3
181.10112	7.1
183.11668	16.7
184.07321	4.1
185.09662	20.7
185.13234	16.0
185.52158	3.7
187.11197	20.2
187.14772	33.2
189.12778	13.3
189.16386	22.2
191.17979	4.0
195.11607	6.9
197.09695	5.2
197.13263	7.2
199.11157	20.2
199.14771	7.7
201.12813	5.1
201.16399	28.7
203.10641	15.2
203.17836	5.5
205.15868	3.8
209.13376	5.0
211.11214	6.0
211.14888	5.7
213.12698	8.2
213.16388	6.8
215.10745	19.2
215.17920	4.4
217.12320	12.2
225.16342	4.3
229.12254	7.2
233.11632	6.1
235.16931	4.7
241.19604	5.3
247.13239	8.0
247.16927	6.4
265.14203	4.5
281.13782	53.0
301.21634	14.2
302.21866	14.3
387.26828	15.5
405.27716	13.8
417.27774	20.3
423.28690	16.7
433.27283	7.3
435.28769	38.3
451.28143	4.9
453.29840	44.4
463.28439	6.6
469.29913	4.0
471.31046	64.2
481.29138	29.6
499.30249	27.0
517.18158	20.1
517.31525	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01861	2.1
55.05503	7.3
55.10241	0.4
56.01373	0.3
57.03425	5.3
57.07062	0.6
61.02909	9.4
67.05487	2.2
68.65028	0.3
69.03411	19.4
70.06586	0.7
71.04974	2.9
73.02898	4.0
73.06534	51.7
81.03393	7.3
85.02885	100.0
85.06522	12.7
87.04446	2.7
91.03923	4.6
91.05449	0.5
97.02863	24.0
97.06532	0.6
98.97556	0.9
99.04424	4.8
101.02352	0.6
101.06039	0.5
103.03958	0.5
103.07578	0.6
104.08276	0.4
109.02859	9.6
110.07190	0.6
111.54295	0.3
115.03905	0.6
120.08074	37.6
121.06493	0.6
127.03880	20.8
130.06520	5.3
130.46671	0.4
132.04445	2.2
137.05980	0.4
145.03059	1.1
145.04929	28.8
151.18730	0.4
157.07535	5.6
157.08588	0.5
158.05977	5.6
163.03923	4.1
163.05952	9.8
175.08620	5.0
177.00575	0.5
186.38350	0.4
199.09657	0.5
203.08089	5.2
211.09587	0.4
217.10724	0.6
221.09114	3.1
226.21379	0.4
229.10663	3.2
237.02914	0.6
253.12236	6.9
272.09964	0.4
497.37103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87410	0.1
53.00287	0.1
53.03913	0.3
53.15560	0.2
53.91911	0.1
55.01863	0.3
55.05486	0.2
57.03423	0.6
61.02896	1.1
69.03069	0.2
69.03410	2.8
71.04949	0.3
73.02887	0.4
79.05457	0.9
81.03397	1.8
81.50300	0.1
83.04950	0.3
83.06059	0.3
85.02887	8.8
87.04438	0.2
89.03896	5.2
91.03912	0.4
92.08838	0.9
92.09373	0.2
93.04520	0.3
95.04932	0.3
97.02868	2.8
99.04417	0.7
107.04939	2.1
108.35520	0.1
109.02847	1.2
110.07146	3.2
111.04418	0.4
111.07478	0.7
117.03356	8.0
121.02799	0.2
127.03881	1.5
131.04901	0.2
135.04390	22.6
137.05988	0.3
145.02826	14.2
145.04892	1.0
158.75757	0.2
163.03867	100.0
164.04144	0.2
189.05534	0.2
204.51605	0.2
205.04865	1.6
217.05029	0.2
235.05951	1.0
259.05942	0.3
271.06381	0.2
289.07019	0.2
301.07205	0.2
337.08936	0.3
482.59439	0.2
516.18640	0.3
517.19220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99124	0.6
53.03927	2.6
55.05498	1.4
57.03423	3.6
61.02916	8.5
61.05293	0.6
67.05490	1.0
69.03416	47.9
71.04972	4.7
79.05516	0.6
81.03399	17.6
81.07034	2.9
83.01347	1.1
83.04992	1.3
85.02888	72.7
86.09710	3.0
91.05460	1.2
92.08980	3.6
93.07037	2.6
93.10818	0.7
93.35834	0.7
95.04966	0.9
95.08578	1.6
97.02869	42.4
99.04439	16.4
100.07583	0.9
104.10744	2.5
105.03378	3.9
105.07043	1.3
106.06570	1.1
108.52518	0.6
109.02862	100.0
109.06487	0.9
109.10143	1.1
110.03241	0.8
111.52277	0.5
115.03906	1.0
116.04955	1.2
119.04967	0.6
119.08582	0.9
121.10136	1.1
127.03889	67.4
133.07648	0.8
133.10129	1.5
137.05959	5.0
137.09564	0.7
138.06299	1.0
139.03865	6.1
145.04944	20.5
147.11775	0.6
163.03886	1.7
169.04936	11.5
177.05484	1.2
184.07378	3.0
187.05995	15.0
187.07512	1.1
198.61052	0.8
205.07039	79.7
251.13931	6.3
268.39774	0.7
359.97983	0.8
380.44739	0.8
433.90845	0.8
517.21613	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	517.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25980	0.1
54.93728	0.1
61.02911	0.1
63.02349	0.1
65.16294	0.1
67.05481	0.2
69.03418	1.5
70.06562	0.6
72.08124	0.3
79.05487	1.2
81.03397	0.1
83.04937	0.6
84.08092	0.1
85.02896	1.4
86.09686	0.2
89.03899	5.2
92.08994	0.6
95.04962	0.3
97.02864	0.8
97.55296	0.1
99.04416	0.2
104.11302	0.1
107.04953	2.0
109.02841	0.2
111.04401	0.1
112.07601	0.7
117.03360	7.9
119.04968	0.2
126.90021	0.1
127.03902	0.6
132.10228	0.1
135.04396	21.2
136.07565	0.5
140.07031	0.6
145.02832	15.8
145.30666	0.1
163.03876	100.0
164.04224	0.2
164.07019	0.6
171.27699	0.1
171.53822	0.1
181.04916	0.2
182.08180	0.2
205.33318	0.2
307.08182	0.5
325.09128	1.2
544.38770	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	63.8
64.32905	5.1
67.05497	83.2
69.07061	35.3
79.05497	47.7
81.07053	100.0
83.04974	7.5
83.08611	46.5
89.06009	10.4
90.41426	5.4
91.05474	28.7
92.09026	13.6
93.07035	59.7
95.08595	62.8
97.10165	74.2
105.07005	27.0
107.08588	41.7
109.10159	35.8
111.08080	5.8
112.71947	5.2
114.17483	5.7
117.07038	5.6
119.08567	14.4
121.06525	9.3
121.10114	28.9
125.09607	57.5
131.08548	24.0
133.08615	6.8
133.10144	7.1
134.96793	5.6
135.08083	12.1
135.11664	22.8
136.99512	6.7
145.10129	12.7
147.11629	10.8
153.09048	7.7
159.11708	12.4
159.47263	7.0
165.42154	5.6
173.11566	5.6
185.80095	6.2
188.98738	5.5
189.11209	27.4
203.12737	21.2
279.23026	8.7
281.02435	6.1
297.24249	13.5
392.99493	6.2
413.30444	9.7
431.31433	47.9
445.33105	7.3
449.32355	9.6
463.34021	25.2
470.68433	6.2
481.35233	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	517.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00585	0.1
53.03932	0.1
54.81688	0.1
55.05488	0.2
67.05508	0.2
67.34450	0.1
69.03412	1.3
70.06558	1.1
72.08121	0.2
79.05486	1.0
83.04958	0.3
85.02895	1.6
89.03895	5.1
91.03284	0.1
92.09127	0.6
95.04987	0.5
97.02857	0.9
107.04948	2.3
109.02947	0.4
111.04399	0.2
112.07577	0.9
117.03357	7.9
127.03870	0.5
135.04387	22.0
136.07550	0.2
140.07021	0.3
145.02826	17.1
163.03867	100.0
164.06979	0.6
181.04875	0.6
182.08224	0.2
203.13921	0.2
223.17253	0.2
265.14316	0.2
276.73251	0.2
298.48822	0.2
307.07922	0.6
325.09036	0.9
506.71924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.6
55.05479	1.0
56.08423	0.4
57.03434	2.9
57.07047	0.5
61.02876	0.9
67.05453	1.8
69.03416	8.1
69.07056	9.4
70.06546	0.6
71.04969	6.5
73.02868	0.8
78.27402	0.5
79.05457	1.7
79.20987	0.4
79.87392	0.4
81.03364	2.0
81.06603	0.6
81.07034	12.4
83.04936	0.7
85.02894	12.9
86.09660	0.6
87.04405	2.0
87.08065	0.5
91.05416	0.5
93.06992	1.7
95.08552	2.8
97.02875	6.8
97.06486	0.9
98.73248	0.4
99.04436	1.0
99.08032	2.4
99.81554	0.5
105.03399	0.4
105.93607	0.4
107.08554	1.8
109.02844	1.9
109.06476	0.6
109.10141	3.7
111.04361	0.6
111.11687	1.0
115.03883	1.9
117.23509	0.4
121.10081	1.9
123.11636	2.7
127.03864	2.7
133.04932	0.9
136.06158	35.7
137.04539	0.5
137.05922	2.1
137.13152	0.6
139.11125	2.9
145.04906	0.9
147.04335	0.4
148.06160	17.0
151.11206	3.3
155.05623	1.0
155.14240	2.2
156.14552	0.5
157.12202	5.0
169.12186	4.2
179.07063	0.5
187.13243	10.4
191.16382	1.0
204.12415	8.1
205.14297	2.8
222.13455	100.0
354.13205	0.4
354.17642	2.8
384.18692	26.3
516.22900	23.5
527.88916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97606	0.3
53.00296	0.3
53.03932	2.7
55.01869	0.9
55.05503	3.1
57.03423	0.9
57.07080	0.4
58.71456	0.3
59.57646	0.3
61.02887	0.4
65.21572	0.4
67.05143	0.7
67.05494	18.7
69.03420	5.9
69.07047	2.2
71.04968	3.1
72.08132	0.4
79.05478	3.6
81.02932	0.7
81.03400	18.7
81.07037	14.3
81.85110	0.4
83.04962	2.3
83.08612	0.4
85.02898	3.6
85.06526	1.7
86.09677	0.6
91.05461	3.8
92.09127	2.4
93.07020	6.9
95.04945	5.8
95.08588	6.8
95.48820	0.4
95.74531	0.4
97.02863	4.5
97.06506	1.6
99.04417	3.5
103.05418	0.5
105.03383	6.1
105.07021	2.5
106.10490	0.4
107.04953	0.4
107.08578	6.5
109.02860	13.6
109.06516	3.8
109.10141	49.6
110.03678	0.7
111.04426	1.8
117.07003	0.5
119.04984	0.5
119.08550	5.6
121.06470	0.8
121.10117	2.3
123.04398	1.7
123.08047	0.6
125.05943	3.3
126.55651	0.4
127.03895	4.9
129.06915	0.5
131.08534	1.8
133.06415	0.5
133.10126	2.1
135.07988	2.7
135.11696	0.8
137.09595	100.0
138.79803	0.4
143.08524	0.5
145.02811	1.4
145.04898	0.4
145.10114	1.5
147.04411	0.7
147.07999	0.4
147.11656	0.5
149.09602	0.6
151.11240	0.8
155.10641	4.2
157.10118	0.7
159.08025	0.4
159.11691	0.7
163.07516	0.9
165.09081	49.9
173.13338	0.4
177.05336	0.7
179.10602	0.4
183.10123	3.1
201.11198	4.8
213.14847	0.8
267.08557	0.6
289.53683	0.4
291.12186	4.9
309.13272	26.7
327.14264	8.2
333.44388	0.3
345.15460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3727
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
53.03941	1.8
55.05505	21.8
56.71425	1.9
57.07059	10.4
63.12386	1.7
67.05480	26.1
68.69196	2.0
69.07044	28.6
71.08605	2.3
77.03877	1.8
79.05470	16.4
81.07033	44.0
83.08595	15.7
91.05444	21.5
92.08993	15.7
92.64115	2.8
93.07028	46.2
95.08583	91.8
97.10173	3.0
105.07008	54.5
107.08571	72.6
109.06522	2.5
109.10133	40.5
111.08050	3.6
117.06999	5.0
119.08551	100.0
121.10107	69.6
122.81385	2.2
123.08083	2.6
123.11674	31.2
131.08537	24.7
133.09187	2.8
133.10098	79.1
135.11670	44.6
137.13239	7.5
143.08527	14.5
145.10120	41.2
147.11646	57.4
147.57883	2.1
149.13194	23.5
157.10106	8.1
158.10905	3.5
159.11665	36.8
160.12450	2.3
161.13254	32.5
163.14828	4.5
171.11662	8.2
173.13188	21.0
175.14757	27.2
177.09081	4.7
177.16331	15.9
183.11676	4.1
185.13239	4.5
187.14789	18.4
189.16339	53.4
191.17941	13.1
199.14766	8.7
201.16351	47.4
203.17899	59.7
205.19495	2.3
211.14667	2.4
213.16301	18.9
215.17889	77.2
217.19394	2.8
221.19003	4.3
227.17935	9.3
229.19434	2.9
231.17522	2.4
241.19389	3.3
243.21016	7.3
247.16847	15.7
253.19518	3.2
255.20973	3.4
261.18439	30.6
269.22742	2.7
391.33459	11.5
394.28479	4.7
409.34531	17.5
437.34036	85.5
455.34778	3.2
495.64145	2.1
515.31836	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
54.81553	1.3
55.01859	1.2
55.05502	26.1
55.29276	1.2
56.96508	1.4
57.03418	7.0
57.07061	8.2
61.02887	1.7
64.33075	1.3
64.33379	1.2
65.03928	1.6
67.05491	98.2
69.03410	3.0
69.07056	19.4
71.04965	2.1
78.56010	1.1
79.05473	67.3
81.07034	100.0
83.04952	2.6
83.08575	10.6
85.02890	3.3
91.05452	34.8
92.08838	5.3
92.09366	1.8
93.07020	80.2
95.04930	8.1
95.08584	73.7
97.02847	1.9
97.06469	2.7
97.10136	2.4
99.08102	2.0
102.65441	1.3
103.47750	1.5
105.07012	24.6
107.08572	49.4
109.06499	2.3
109.10139	38.3
111.08020	1.6
116.53643	1.2
117.06971	12.7
119.08546	23.6
121.10121	47.4
123.08071	2.2
123.11684	9.0
124.33020	1.3
125.09545	1.5
131.08539	28.4
133.10098	22.7
135.11679	27.4
137.13208	2.8
143.08495	2.4
145.10092	20.0
147.11644	13.1
149.13239	18.4
159.11687	14.6
161.09599	1.5
161.13144	10.0
163.14775	12.3
165.12682	1.7
169.09985	1.4
171.11685	2.0
173.13235	16.2
175.11096	1.4
175.14847	2.9
177.12703	2.3
177.16374	2.8
187.14685	9.7
201.16380	2.8
243.20979	15.3
246.43954	1.5
261.22092	58.8
279.10272	1.4
312.25912	1.8
335.25690	10.2
353.26843	14.6
386.06000	1.4
393.56458	1.4
419.27676	1.6
441.51584	1.6
502.59058	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.6
53.03931	3.0
53.73968	0.5
55.01865	1.4
55.05507	21.0
57.03431	11.0
57.07051	5.1
61.02907	4.0
65.03921	3.4
67.05493	99.2
69.03406	3.2
69.06712	1.2
69.07054	19.3
71.04971	3.3
71.08641	1.0
73.02895	1.4
77.49415	0.8
79.05475	59.3
81.03412	1.4
81.07040	100.0
83.04964	1.4
83.08588	6.1
85.02888	5.6
85.06529	3.0
91.03932	0.8
91.05460	32.2
92.08708	4.3
92.09326	2.5
93.07023	77.5
95.04945	5.9
95.08585	77.6
97.02887	3.5
97.06527	5.8
97.10146	4.4
105.07014	23.4
105.07662	1.3
107.08576	42.7
108.93821	0.7
109.06513	3.2
109.10144	33.9
111.08021	1.3
111.11610	0.9
113.09650	0.9
117.07008	11.7
119.06070	0.8
119.08557	22.6
121.09248	1.3
121.10122	33.8
123.08052	1.2
123.11697	11.8
125.09606	1.0
129.06966	1.2
130.07744	1.0
131.08539	29.0
133.10101	15.0
135.11673	26.3
135.12682	1.4
137.09587	1.4
137.13239	3.8
145.10114	16.5
147.07980	0.9
147.11661	11.0
149.09581	0.9
149.13232	15.7
151.11206	0.7
157.10062	1.2
159.11681	13.4
161.13251	9.2
163.11134	1.3
163.14758	7.3
165.12750	0.8
171.11714	1.3
173.13223	12.5
175.11108	0.6
175.14815	3.5
177.12766	0.7
177.16357	4.0
179.14230	1.0
185.13148	0.9
186.14006	0.7
187.14790	5.9
191.14308	1.1
201.16362	3.1
201.26248	0.7
205.15843	1.1
208.72800	0.7
227.63672	0.7
233.22678	1.4
243.21007	17.5
261.22073	53.3
279.23126	3.0
301.21695	0.7
335.25690	16.4
353.26843	13.0
364.78210	0.6
369.24194	0.7
405.50409	1.0
443.27502	0.7
497.30975	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	515.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	21.4
57.03426	4.8
57.07079	3.6
62.78598	2.3
67.05491	81.2
67.14510	2.6
69.03423	3.8
69.07033	20.0
71.05004	3.4
79.05472	64.4
80.56638	2.2
81.07034	100.0
83.04983	2.9
83.08588	5.6
85.02863	2.4
85.06544	3.9
91.05458	36.0
92.09034	2.8
93.06483	4.9
93.07018	76.6
95.04982	3.7
95.08580	71.8
97.10151	3.2
105.07001	29.5
107.08560	50.3
109.06519	3.6
109.10145	31.6
117.06969	17.8
119.08551	30.1
121.10133	40.0
123.11685	14.9
131.08533	26.2
133.10088	20.6
135.11682	30.2
139.26886	2.5
145.10051	24.3
147.11676	11.4
149.13249	18.9
159.11681	16.2
161.13211	10.6
163.14790	10.4
173.13231	16.9
175.14833	3.3
177.16371	2.8
185.13173	3.9
187.14752	9.7
243.20996	20.2
261.22046	56.7
335.25626	5.4
346.40338	2.8
353.26822	13.8
409.20355	2.8
457.53320	2.8
515.37091	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	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	0.9
53.03931	3.4
53.69882	0.8
55.01851	1.9
55.05263	1.4
55.05503	23.7
57.03424	9.7
57.07057	5.2
59.04987	0.9
61.02893	3.7
65.03899	3.4
66.14406	0.8
67.05492	89.3
69.03416	3.6
69.07051	21.6
71.04966	3.4
73.02884	1.9
79.05473	58.0
79.62329	0.9
81.03384	5.3
81.07037	100.0
83.04971	2.0
83.08599	11.6
85.02878	5.7
85.06510	1.5
91.05458	31.7
92.09090	2.1
93.06422	1.6
93.07022	70.2
95.04971	7.4
95.08584	73.0
97.02876	3.1
97.06496	4.5
97.10146	3.7
99.08060	1.5
105.04631	0.8
105.07014	25.6
107.08578	42.9
109.06495	1.8
109.10140	34.9
111.08044	1.6
117.06995	12.0
119.08555	23.4
121.06435	1.4
121.10120	34.7
123.08025	4.5
123.11642	9.6
125.09603	1.4
127.03936	1.0
129.07030	1.5
131.08548	23.0
133.10095	14.7
134.15669	0.8
135.03812	0.9
135.08011	1.4
135.11668	27.2
137.09462	1.1
137.13196	5.3
143.08543	1.4
145.10094	15.1
147.11655	12.7
149.13228	15.3
151.11168	1.0
155.08528	1.3
157.10139	1.2
159.11656	14.6
161.13266	10.5
163.11104	1.0
163.14786	11.9
164.03743	0.9
165.12749	1.2
171.11638	1.5
173.13191	13.9
175.14793	3.2
177.16386	4.0
177.33408	0.8
179.14371	1.1
183.11772	1.3
187.14799	6.5
201.16423	2.0
205.15752	1.1
219.17183	0.9
233.22441	1.1
243.21031	17.4
261.22086	47.5
275.23828	0.9
279.23251	1.2
324.54221	1.1
335.25726	15.6
353.26852	15.9
369.24115	1.5
374.62302	0.9
387.25327	1.5
397.43732	1.0
443.28073	1.5
461.29184	1.4
497.30859	5.4
515.25879	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	515.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97501	0.7
53.28124	0.7
53.42982	0.8
55.05491	3.8
59.85117	0.7
67.05473	5.6
69.07042	5.6
72.09969	0.8
79.05469	3.8
80.70631	0.8
81.07034	8.8
83.08601	4.1
91.05460	3.6
92.08784	6.7
92.09399	2.6
93.07019	8.3
95.08580	13.3
105.07004	7.2
107.08598	10.2
109.10140	5.6
117.06909	1.2
119.08569	11.3
121.10101	7.7
123.11661	1.8
131.08524	1.8
133.10107	8.8
135.11655	5.2
137.13332	0.9
145.10143	3.7
147.11630	6.3
149.13255	3.6
159.11693	5.5
160.23572	0.8
161.13235	4.0
163.07639	0.8
163.14796	1.7
169.10155	1.0
170.08174	0.9
173.13237	3.6
175.14737	1.5
177.16396	1.7
177.65289	0.9
187.14801	1.2
189.16389	4.0
201.16411	5.8
203.05255	1.7
203.17912	6.9
213.16400	0.8
215.17894	6.4
221.60680	0.9
244.71057	0.9
247.16873	1.1
261.18478	1.0
326.21762	1.0
428.35782	1.4
437.34158	7.4
515.31805	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	514.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81831	5.0
55.05507	48.3
56.97411	4.7
57.06815	6.1
57.07068	100.0
59.04972	5.3
63.47400	4.6
67.05499	43.4
69.07057	66.8
70.06574	34.7
71.04967	9.0
71.08622	56.4
81.07040	69.1
83.08610	61.6
84.16447	4.6
85.10168	23.1
87.04448	30.5
88.07605	28.5
91.05499	8.1
92.60739	5.0
93.07031	45.6
95.08588	89.4
97.06513	8.7
97.10136	35.6
102.09157	29.6
107.08594	40.8
109.06501	6.9
109.10139	47.7
110.30886	6.0
111.08069	8.9
111.11711	7.4
118.68472	5.5
121.10125	46.7
123.11622	12.4
125.05976	11.5
125.09601	24.8
135.11720	13.5
137.13257	7.3
139.03865	26.7
149.13214	10.9
153.05467	22.4
155.07016	59.8
177.16301	7.3
191.17842	6.7
256.26300	34.2
257.26593	43.6
258.26917	10.2
271.88159	5.6
275.27505	6.6
283.26172	49.7
284.26547	54.7
292.06073	5.0
317.31998	26.9
335.33005	40.9
351.58133	6.0
353.34277	8.2
419.34946	53.5
446.56296	6.1
513.50708	98.9
514.50836	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	1.5
60.04494	1.5
68.05000	0.9
69.03393	0.2
69.04524	0.2
69.07043	0.2
69.78289	0.2
70.06572	0.4
73.11993	0.2
76.56187	0.2
79.05515	0.2
81.04523	1.2
82.05295	1.3
83.06091	13.6
84.04501	0.5
85.02884	0.9
91.05437	0.2
93.04508	9.9
95.06072	6.7
97.02856	0.2
97.07577	0.2
98.06021	0.2
98.97549	0.2
99.05570	0.3
105.03371	0.4
107.04936	0.2
107.06053	0.2
108.05584	0.5
109.06381	0.9
109.10193	0.3
110.07147	100.0
111.05560	1.7
112.88079	0.2
114.07763	0.2
119.04905	0.9
120.05587	0.9
121.06468	0.9
122.07123	1.2
123.04457	0.3
123.05551	0.3
131.04942	0.3
134.06015	0.8
134.07011	0.6
135.04401	0.3
135.06721	0.8
136.05032	0.4
136.07578	1.2
146.06030	0.8
147.04396	0.9
148.07539	0.3
150.06630	0.3
151.05005	0.5
151.09775	0.8
152.08159	1.0
155.10683	0.2
156.07652	1.6
161.08237	0.3
163.03864	1.3
164.04308	0.2
166.06073	0.2
167.09225	0.3
172.07556	1.3
179.09256	1.6
180.07788	0.3
188.07048	1.4
197.10330	1.2
200.07031	1.2
207.08698	0.3
208.07240	0.2
217.09706	1.1
225.09793	0.4
228.11330	1.5
230.12828	3.8
255.84079	0.2
258.09882	0.2
270.09814	0.2
274.11877	0.3
286.11761	0.3
288.10806	0.3
304.12988	0.4
314.11624	0.3
332.12439	0.2
408.16550	0.2
410.72153	0.2
414.79245	0.2
423.17969	0.3
441.18732	1.1
443.20642	1.7
469.18317	2.9
479.17075	0.3
487.19244	5.7
497.17786	3.1
505.07516	0.2
515.18768	24.1
532.89673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70719	2.1
55.01866	4.4
55.05318	2.1
55.05510	34.7
56.30565	3.0
57.03432	29.3
57.07066	4.2
57.46900	2.5
58.82861	2.6
60.17538	2.2
67.05492	79.8
69.03432	3.3
69.07051	29.0
71.04980	12.7
71.49455	2.7
79.05477	56.2
81.03403	58.3
81.07040	100.0
83.04964	26.7
83.08613	31.1
85.02907	20.8
85.06521	3.4
91.05463	52.6
93.07021	71.0
95.04937	31.2
95.08585	36.4
97.06522	6.7
97.10183	3.4
102.96423	2.8
105.07020	35.2
107.04892	4.2
107.08565	44.1
109.06514	5.5
109.10135	5.9
111.08053	17.4
117.06998	12.7
119.08603	25.3
121.06522	4.3
121.10104	26.4
123.08037	3.4
123.11621	3.3
129.07019	6.6
131.08560	18.4
133.10100	23.7
135.11690	3.0
137.09570	2.9
142.07773	3.7
145.10141	3.3
147.11688	16.9
149.05830	3.5
149.09593	4.3
149.13261	27.5
157.10115	12.8
159.11716	7.1
175.11177	15.8
177.12759	4.2
193.12218	20.1
200.20027	3.7
211.13271	30.8
245.34033	3.3
267.15842	14.9
269.17410	60.1
285.16858	29.7
341.09949	4.9
461.28769	35.7
479.30029	75.0
514.27295	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	514.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44366	0.2
51.92794	0.3
53.03946	1.2
55.01860	1.8
55.05499	2.4
57.03433	4.7
57.07072	0.3
57.99668	0.2
59.04984	1.3
61.02912	6.4
66.21460	0.3
67.05494	1.6
69.03416	13.7
69.07056	5.6
71.04966	1.8
71.08615	57.5
73.02900	2.5
79.05498	0.3
81.03407	5.5
81.07058	1.3
83.01291	0.5
85.02891	73.2
85.22813	0.3
87.04446	1.7
91.03934	3.2
92.09061	0.4
93.07047	0.4
94.97372	0.3
95.08595	2.7
95.32516	0.4
97.02877	19.8
99.04452	3.2
99.08075	100.0
101.02412	0.5
105.03360	0.5
105.07068	0.4
107.08569	0.6
109.02876	7.1
109.10132	0.7
121.10085	0.4
127.03896	13.9
129.12730	11.2
145.04939	16.1
155.14323	2.5
163.05983	6.6
173.15341	58.7
199.29590	0.3
260.74411	0.3
281.24744	0.5
299.25641	0.5
325.11307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48070	0.5
53.03933	2.1
55.01863	2.1
55.05497	3.6
57.03429	4.6
60.11869	0.4
60.27243	0.4
61.02914	1.3
61.63897	0.4
62.66495	0.5
66.58552	0.5
67.05490	9.2
69.03403	3.0
69.07042	3.6
71.04955	2.5
72.02228	0.6
73.02924	0.9
79.05474	8.6
81.03398	100.0
81.07040	8.6
83.04955	4.9
83.08604	23.7
85.02898	4.5
85.06494	0.6
86.09698	0.9
91.03917	1.1
91.05455	12.8
92.08769	1.3
93.07024	6.1
95.04946	30.8
95.08593	2.3
96.95457	0.5
97.02871	5.3
97.06512	0.7
97.10142	2.6
99.08061	0.7
105.03395	0.7
105.07018	10.3
107.04945	7.2
107.08546	5.7
109.06495	3.0
109.10133	1.1
111.04414	3.0
111.08054	12.0
115.05428	0.6
119.08550	9.7
121.06491	1.4
121.10101	5.2
123.04404	0.9
123.08034	1.9
125.09608	0.9
129.06990	7.9
131.08533	9.0
133.06465	3.8
133.10120	4.9
135.08029	0.7
135.11650	0.6
137.09596	1.4
142.07755	2.6
145.02768	0.6
145.10094	2.0
147.04480	0.8
147.08029	3.9
147.11673	8.6
149.09579	6.4
155.14265	1.0
157.10107	12.9
163.11192	0.9
165.12735	2.7
167.06892	0.7
175.11124	14.4
189.12621	0.7
193.12204	61.7
209.98615	0.6
211.13191	4.7
215.59038	0.7
235.13213	1.0
259.13379	1.0
267.13025	1.0
267.15848	28.2
285.16910	66.6
299.18555	1.1
301.14218	0.6
303.60410	0.5
309.16895	6.1
327.18130	0.7
344.12494	0.9
351.17917	0.6
363.17896	3.2
384.21518	0.7
393.19211	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01858	2.5
55.05499	5.1
57.03429	5.0
61.02908	2.5
63.70633	0.4
63.81950	0.4
65.84734	0.4
67.05489	9.6
69.03419	2.8
69.07056	2.1
71.01280	0.4
71.04968	1.2
73.02899	0.9
79.05479	8.4
81.03398	100.0
81.07034	8.5
83.04944	4.0
83.08604	24.2
85.02893	3.0
85.06528	0.6
86.44395	0.5
91.05463	11.8
92.08947	0.6
93.07028	5.3
95.04949	27.5
95.08591	2.6
97.02873	4.0
97.06541	0.9
97.10156	1.8
98.06017	2.2
99.04432	0.6
105.03366	0.7
105.07005	10.5
107.04942	7.8
107.08585	4.1
109.06469	3.9
109.10149	0.6
111.04457	1.8
111.08080	9.8
115.05460	0.7
117.06996	0.7
119.04900	0.6
119.08560	10.2
121.06496	2.2
121.10152	4.7
123.04452	1.8
123.08076	0.8
127.03932	0.6
129.06995	9.7
131.08539	8.7
131.61617	0.5
133.06476	3.8
133.10114	4.0
137.09633	1.0
142.07733	2.3
145.10088	1.6
147.04440	0.8
147.08015	3.2
147.11676	6.8
149.09598	5.2
157.10086	12.5
163.11171	0.9
165.12796	0.9
173.09454	0.5
175.11153	13.2
193.12207	54.7
207.13673	0.6
211.13278	5.3
231.10490	0.8
235.13333	2.3
249.14790	0.5
267.15842	29.9
285.16904	48.6
309.16937	6.2
323.12906	0.5
363.17963	2.5
375.18042	0.7
393.19016	1.0
429.21158	2.7
449.45618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10932	0.4
51.02380	0.4
53.03940	3.4
55.01854	0.6
55.05498	2.5
57.03423	1.0
57.07062	0.8
57.37714	0.4
61.02914	0.6
63.40213	0.4
64.32955	0.4
66.79904	0.4
67.05496	12.0
67.39109	0.4
69.03413	7.6
69.07044	3.1
70.17495	0.4
71.04976	25.5
73.02924	0.5
77.03915	0.4
79.05473	14.2
81.03395	11.3
81.07040	21.0
83.04955	0.8
83.08606	2.3
85.02887	14.1
85.06527	18.1
87.04432	1.1
91.05453	7.2
92.08749	1.0
92.09279	0.7
93.07019	23.9
95.04947	7.0
95.08584	13.6
97.02865	7.5
97.06511	9.6
99.04425	1.1
99.08044	1.8
103.85743	0.4
105.03372	100.0
105.07021	4.9
107.08564	11.4
109.02854	5.9
109.06508	2.0
109.10147	2.3
111.08062	5.3
113.77903	0.5
117.06993	10.2
119.08562	3.3
121.06471	4.3
121.10129	3.6
123.04404	12.5
123.08065	0.8
125.09629	0.9
127.03896	4.2
131.08553	10.1
133.10103	14.7
135.08041	6.6
135.11665	27.8
137.09589	1.0
139.07532	0.9
143.08545	0.5
145.04929	0.6
147.04427	0.7
147.11697	2.4
149.09613	2.2
149.13235	7.7
151.11139	2.2
153.09065	1.1
156.33894	0.5
157.10176	0.7
159.11665	29.1
161.73346	0.5
165.09119	0.5
165.12764	2.7
177.12712	40.6
195.12270	0.5
195.13770	30.1
213.14816	57.7
231.15874	36.8
249.07498	6.7
267.08578	9.8
407.29016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.9
53.03933	1.3
55.01880	0.8
55.05496	7.4
56.86634	0.6
57.03422	1.5
65.03905	0.9
67.05482	13.9
69.03410	21.5
69.07059	7.6
71.04967	3.8
79.05472	10.6
81.03381	2.9
81.07035	42.1
83.04951	3.1
85.02890	13.7
85.06509	1.1
91.05457	20.2
91.66228	0.7
93.07018	25.5
95.04942	9.9
95.08581	38.6
97.02869	100.0
97.06516	4.2
97.10121	0.9
99.04425	3.3
103.05443	0.9
105.03362	4.3
105.07012	41.6
107.04987	1.3
107.08573	20.9
109.02806	1.2
109.06508	11.3
109.10140	8.6
111.08075	1.4
115.03915	10.9
115.05432	1.9
117.06984	8.5
119.04916	1.4
119.08558	44.7
121.06451	5.1
121.10134	7.1
123.08019	5.8
123.11674	25.7
127.03895	6.5
128.06216	7.4
129.06981	12.4
130.07768	1.9
131.08537	29.0
133.06462	1.4
133.10104	20.7
135.08043	4.6
135.11678	4.3
137.06024	0.8
137.09599	0.8
141.06989	1.5
142.07756	6.9
143.08530	27.4
144.09305	3.5
145.06436	0.9
145.10091	33.5
145.11211	1.3
147.04388	1.3
147.08005	9.9
147.11655	29.4
149.09630	1.4
149.13225	11.5
151.11128	4.6
155.08540	4.9
156.09322	5.1
157.10103	19.4
158.10872	1.5
159.08095	1.4
159.11626	12.4
161.09598	9.5
161.13147	5.4
163.11179	1.8
163.14795	4.5
169.10086	1.0
170.10905	4.2
171.11670	3.8
173.13220	48.8
175.11174	3.4
175.14761	12.7
183.11720	1.8
185.13223	27.2
187.11096	1.1
191.14258	11.9
201.12724	1.6
202.13376	1.0
203.12373	1.7
203.14276	47.4
221.15311	14.0
241.07098	1.3
246.25728	0.8
259.07993	0.9
272.92804	0.8
287.16446	1.1
299.19885	1.0
317.21085	1.4
365.19455	3.1
418.94037	0.8
424.74155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
54.82164	3.6
55.01849	7.0
55.05504	28.9
57.03415	5.4
57.07034	3.8
59.04998	3.7
61.02919	29.3
67.05487	58.8
69.03406	8.0
69.07044	22.6
73.02883	6.7
79.05472	92.2
81.03387	7.4
81.07034	70.0
83.04963	4.4
83.08570	4.9
85.02890	27.3
86.20792	3.9
91.03905	5.4
91.04896	3.8
91.05462	100.0
93.07017	95.7
95.04935	15.8
95.08591	39.2
97.02855	18.5
97.10124	3.9
100.11234	16.4
105.03360	8.9
105.07006	87.1
107.08570	55.6
109.10115	24.1
117.06966	28.6
118.04987	3.4
119.08559	88.6
121.10126	32.0
129.06950	17.8
131.08549	38.7
133.06487	4.8
133.10114	65.9
135.11676	30.0
139.61713	3.5
143.08540	19.2
145.10115	35.2
147.11662	51.0
149.09517	4.4
149.13217	16.8
155.10710	3.8
157.10091	20.8
159.11682	26.4
161.12085	3.8
161.13222	37.7
163.14789	4.4
171.11627	16.1
173.13213	7.5
175.14764	15.7
185.13255	5.2
196.57307	4.0
199.11165	4.2
199.14735	6.7
220.10295	3.7
231.20976	5.7
241.19449	24.0
258.79630	4.6
259.20496	83.2
351.21094	6.2
351.25226	98.6
441.26117	6.3
477.28433	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.05502	21.2
57.03425	10.8
57.07058	2.5
60.25736	1.0
61.02912	21.8
67.05492	48.4
69.03406	7.7
69.07050	18.2
71.04972	2.7
73.02897	7.3
79.05473	78.4
81.03383	6.3
81.07039	61.3
81.07533	1.7
83.04981	1.4
83.08594	7.5
85.02888	17.2
85.06515	4.7
91.03933	6.7
91.05456	73.7
92.09207	6.5
93.07021	100.0
95.04944	9.0
95.08588	44.8
95.48144	1.1
97.02883	10.9
97.06495	5.0
103.03937	1.3
105.03471	1.3
105.07014	73.1
105.34476	1.2
107.04896	1.8
107.08574	55.1
109.06514	5.4
109.10139	14.0
111.08051	1.8
117.06994	18.3
119.08554	55.6
121.10122	41.2
123.08076	1.5
123.11652	1.7
129.05490	1.3
129.06984	17.6
131.08534	27.0
133.10106	48.5
133.11128	1.6
135.08054	5.4
135.11661	35.9
141.06985	1.4
142.07780	2.7
143.08519	16.5
145.10101	28.9
147.08006	1.5
147.11667	42.9
149.09608	1.8
149.13228	15.2
155.08459	1.5
156.09235	1.3
157.10062	12.4
159.11638	19.3
161.09641	2.1
161.13242	30.6
163.11130	2.9
163.14771	7.3
165.12700	1.4
168.38251	1.2
169.10184	1.5
171.11655	19.5
173.13184	12.9
175.11200	2.6
175.14748	12.6
177.12636	1.6
183.11647	2.3
185.13248	12.9
187.14751	2.0
189.12756	1.8
196.82700	1.2
197.13242	1.7
199.14816	7.5
213.16341	2.6
215.17963	1.4
217.15869	1.8
217.19496	2.1
221.15472	1.4
231.17545	1.3
231.21066	5.1
234.21837	1.3
241.19435	26.9
259.20520	58.5
277.21625	9.8
314.21140	1.3
333.24185	8.0
339.23151	1.5
351.25220	87.6
367.22522	1.6
375.25189	2.3
385.23703	2.0
402.35361	1.4
441.26096	7.1
459.27469	2.9
477.28363	2.3
495.29034	6.0
513.35406	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20070	0.3
54.38554	0.2
55.05502	0.4
57.03418	0.4
58.48853	0.3
61.35084	0.2
67.05486	0.4
69.03415	1.2
69.07053	0.4
69.80293	0.3
69.86590	0.2
79.05454	0.3
81.03384	0.5
81.07033	1.3
83.08614	0.3
85.02892	2.2
91.05456	0.5
92.08882	1.5
93.07011	1.3
95.08582	1.2
97.02827	0.5
97.06519	0.5
105.03384	3.9
105.07002	0.6
106.03705	0.4
107.08577	0.4
109.02850	0.3
119.08569	0.7
127.03893	0.6
133.10078	0.4
145.04979	0.4
173.22333	0.3
247.13004	2.2
251.61964	0.3
307.08026	0.3
347.18127	0.3
513.20844	100.0
514.21021	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39567	1.2
53.00289	1.4
53.03932	2.5
53.71840	1.1
55.01854	1.5
55.05505	26.4
55.77097	1.2
57.03423	12.4
57.07066	1.7
61.02911	21.6
65.03922	1.6
67.05490	52.8
69.03412	6.7
69.07048	23.9
71.04971	7.1
71.78131	1.3
73.02885	6.6
79.05470	79.9
81.03410	3.1
81.07035	60.0
83.04958	6.0
83.08617	11.9
85.02884	16.8
85.06527	5.7
91.03937	6.5
91.05456	67.2
91.06001	2.7
92.08675	2.2
92.09168	4.6
93.07018	100.0
95.04949	13.0
95.08584	43.3
97.02862	9.3
97.06520	7.6
97.10187	2.6
99.04459	1.6
99.08057	2.4
105.03387	9.6
105.07002	72.6
106.03715	2.1
107.04930	1.7
107.08569	60.4
109.02890	1.7
109.06519	2.9
109.10139	15.4
111.08002	1.8
114.05437	1.4
114.80716	1.4
117.06990	18.0
119.08553	64.1
121.06490	2.6
121.10114	42.3
123.08056	2.4
123.11690	2.5
125.09566	2.1
126.23087	1.3
127.03905	1.9
128.06204	3.1
129.06967	11.8
131.08513	25.1
133.09169	2.7
133.10106	48.0
133.11131	1.6
135.08038	6.2
135.11655	33.2
138.49864	1.4
143.08513	15.4
145.06534	1.9
145.10110	25.2
147.07976	1.6
147.11662	35.7
147.12747	2.5
149.09621	3.1
149.13213	14.6
151.11215	1.8
151.29842	1.3
155.08578	3.1
157.10086	14.5
159.11641	23.2
161.09602	2.4
161.13229	24.6
163.11060	1.8
163.14786	2.1
167.54652	1.4
169.10062	2.3
171.11642	16.4
173.13161	11.7
175.11169	1.5
175.14775	15.1
177.12622	1.4
181.10123	2.3
183.11586	2.1
185.13167	14.2
187.14882	2.1
199.14821	5.6
203.14314	1.7
213.16365	1.9
215.17905	2.2
217.19577	2.6
231.21060	8.4
241.19411	23.7
259.20483	55.8
277.21570	9.5
301.21622	2.1
333.24161	7.0
351.25195	80.0
365.09796	1.4
367.22638	1.5
375.24890	1.7
397.23181	1.6
441.26181	5.3
459.27124	2.9
477.28333	6.9
478.28760	1.5
481.42709	1.5
495.29462	6.7
513.20728	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01867	0.4
55.05497	1.8
56.96535	0.4
57.03417	1.2
59.01357	0.3
60.74272	0.3
61.02908	0.7
64.33755	0.4
67.05484	3.8
69.03413	5.0
69.07050	5.6
70.06581	0.5
71.04973	3.1
73.02902	0.5
79.05480	0.7
81.03407	1.4
81.07036	3.0
83.04948	0.6
83.08613	0.5
84.08142	0.5
85.02891	7.7
85.06523	3.7
87.04446	0.5
91.05470	0.7
93.07019	4.5
95.04955	0.9
95.08569	3.0
97.02884	3.6
97.06513	2.8
98.97790	0.4
98.98439	10.9
98.99047	0.7
105.03372	0.6
107.08566	3.0
109.02854	0.7
109.06498	0.8
109.10139	5.3
111.04398	0.4
111.08071	2.7
123.08073	0.5
125.09600	2.4
127.03896	1.6
130.07826	0.4
133.10048	0.4
135.11700	3.1
145.04918	0.4
151.77824	0.3
153.09103	0.4
153.12740	4.4
163.03886	0.8
168.01436	0.4
171.10199	0.7
171.13765	11.2
173.02110	2.0
175.08690	1.7
187.08661	1.6
188.09454	0.7
189.10234	2.5
198.11551	0.7
199.08636	6.0
200.09407	10.9
201.10185	18.2
202.10970	4.4
203.11790	0.5
212.09407	0.7
213.10144	7.6
213.11925	0.4
214.10968	16.0
215.08266	2.9
215.11757	50.5
216.12469	5.5
219.11302	3.8
220.46918	0.3
225.10246	0.5
225.14075	0.4
226.11009	1.7
227.08211	0.5
227.11868	1.7
228.08928	2.3
228.12498	6.7
229.13304	0.8
230.13948	2.8
231.11342	0.4
241.09673	3.4
241.13280	4.4
242.10440	32.2
243.11258	6.2
247.05760	2.7
254.10385	2.7
255.11203	2.9
256.11996	11.7
259.10687	4.7
260.11493	24.8
261.12292	7.2
269.12814	5.6
270.13605	1.9
271.14627	0.5
272.11475	1.5
274.12994	6.4
277.11783	1.5
282.09961	2.1
287.13815	6.2
288.14532	3.1
289.15466	1.5
297.12289	6.2
300.10986	7.9
315.10068	0.5
315.13312	26.2
333.14359	54.9
334.14798	0.5
351.15399	15.3
492.96268	0.4
495.19781	0.8
513.20715	100.0
514.21350	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33898	1.1
55.05505	28.9
57.07067	55.1
58.06578	1.4
65.63432	1.3
67.05495	17.8
69.07054	57.8
70.06591	15.8
71.04951	1.8
71.08611	30.3
73.02888	1.7
79.05470	8.3
81.07034	44.1
83.04968	10.9
83.08602	25.7
85.10163	13.1
88.07609	20.7
89.06004	12.6
91.05445	5.3
92.08827	5.5
92.09359	2.3
93.07025	18.0
95.04909	1.7
95.08588	52.0
97.06524	3.1
97.10133	18.9
99.04437	13.3
102.09155	15.8
105.07024	10.5
107.08593	12.2
109.06503	8.8
109.10150	27.3
111.04433	13.1
111.08118	2.5
111.11710	6.3
113.05997	9.4
119.08591	8.9
121.06490	1.8
121.10115	9.0
123.08073	3.4
123.11691	9.5
125.05980	18.8
127.03059	2.6
127.03894	28.4
133.08603	3.2
133.10126	11.1
135.08083	2.6
135.11694	7.4
137.05978	14.8
137.09604	3.0
137.13312	1.8
139.03874	7.7
141.05457	10.4
143.08568	2.4
145.04964	1.7
145.10092	6.6
147.11699	9.2
149.09605	2.0
149.13246	5.5
151.07530	8.6
151.14748	2.1
153.05470	12.8
157.04880	2.5
157.10126	2.1
159.11694	3.0
161.09622	2.7
161.13275	7.3
163.11160	7.9
163.14868	2.4
165.09074	3.5
171.11662	1.8
173.13264	3.1
175.11201	7.4
175.14917	2.1
177.09079	1.9
179.10756	5.3
189.09148	2.4
189.12654	2.3
191.10658	7.8
191.98662	1.4
193.08649	2.6
193.12312	1.8
199.11282	1.6
203.10651	3.1
205.12180	2.4
209.11667	2.6
211.09698	3.5
217.12338	1.5
228.23206	2.9
246.24413	1.8
249.14700	1.6
254.13637	1.6
256.26266	49.7
258.94193	1.8
263.16336	2.6
273.18640	1.9
274.27344	5.6
277.17920	3.0
283.26276	51.4
291.19492	3.5
295.18991	3.2
301.21960	2.2
305.21091	2.0
309.20639	3.2
311.29361	8.9
319.22690	6.0
323.22119	3.5
327.20245	7.0
333.24161	2.3
337.23822	2.1
347.25803	3.5
361.27274	6.1
363.32602	2.3
365.26703	2.4
399.32556	6.5
417.33508	27.9
435.34824	13.1
512.42688	3.2
512.50293	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	512.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67530	1.1
55.05507	12.7
57.06816	2.3
57.07068	42.2
58.01699	1.4
58.19787	1.5
60.04509	10.7
67.05472	10.1
69.07053	25.3
70.06582	16.0
71.04970	3.1
71.08304	1.4
71.08615	24.2
79.05473	5.8
81.07043	20.9
82.06591	2.4
83.08599	17.7
85.06506	1.6
85.10172	12.5
87.04446	1.6
88.07603	19.9
89.06011	12.8
91.05467	1.7
92.08983	14.2
92.35755	1.6
93.07018	8.9
94.06535	2.4
95.04939	6.2
95.08573	15.8
97.06504	3.3
97.10148	10.2
99.04416	11.3
102.09164	14.1
105.06984	2.5
107.08568	6.6
107.82010	1.4
109.06477	2.3
109.10125	11.1
111.08045	6.4
111.11695	2.7
113.06004	13.3
117.05482	2.2
119.08655	4.8
121.10114	6.3
123.08037	2.8
123.11684	6.6
125.05977	14.1
133.08557	2.9
133.10077	1.7
137.05983	3.6
138.09151	3.1
139.07495	2.4
141.05385	1.7
147.11647	2.6
149.09586	2.1
153.05452	2.0
154.96375	1.4
155.07010	7.7
156.10211	3.4
160.70358	1.6
163.14870	2.0
165.09077	2.3
228.23163	2.8
256.26297	57.3
274.27435	6.4
283.26263	55.6
305.32343	1.7
311.29401	3.5
323.33023	2.9
327.19998	6.7
333.31824	1.6
335.32770	1.8
379.35568	8.1
421.36618	10.7
449.35947	3.6
512.42926	15.2
512.50214	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	512.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81740	3.8
55.05505	22.0
57.07047	17.7
59.95725	3.5
67.05499	17.2
67.55083	3.6
69.07050	25.2
70.06557	5.4
75.08591	4.0
79.05491	5.8
81.03418	4.6
81.07040	51.5
83.08637	5.2
84.97962	3.9
89.06004	4.3
91.05489	8.9
92.09081	7.0
93.07036	31.1
95.04928	6.6
95.08592	57.1
102.09180	5.4
104.04226	4.7
105.07017	35.0
107.08595	61.7
109.10148	42.0
111.08050	10.4
119.08568	69.4
121.10121	52.2
123.11683	34.0
131.08527	20.9
133.10107	53.4
135.11707	37.7
137.13213	5.2
143.08591	6.8
145.10133	52.6
147.11699	30.5
149.13240	26.6
157.10117	18.3
159.11671	27.3
161.13199	21.6
163.14786	16.9
169.10185	7.0
171.11667	10.2
173.13235	24.0
175.14835	36.1
177.16338	10.1
183.11752	5.4
187.14821	10.1
189.16359	26.1
197.13219	5.2
199.14824	18.8
201.16388	37.8
205.15820	5.7
211.14861	10.0
212.36076	4.6
213.16374	24.7
215.18033	7.4
239.17999	20.2
241.19519	23.6
244.23044	6.2
251.17763	4.5
255.21143	5.8
256.26239	5.7
267.20877	5.5
269.22745	5.2
283.26346	18.9
285.18182	6.3
308.92365	5.0
313.21423	5.6
333.78528	4.7
407.32913	20.0
423.32693	5.8
435.32483	30.8
453.33606	100.0
471.34741	19.2
512.32947	23.3
512.50214	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54835	1.8
52.72868	1.7
55.05507	17.0
57.07071	3.3
63.39377	2.1
63.44998	1.8
63.92133	2.0
67.05501	18.1
69.07054	11.5
71.04988	2.7
76.56253	2.1
78.45052	1.9
79.05490	17.7
81.07034	43.3
83.04966	100.0
83.08605	8.7
91.05462	19.9
92.08809	3.5
93.07027	42.3
95.04952	13.4
95.08582	64.2
105.07020	42.4
107.08580	66.6
109.06538	7.4
109.10151	24.3
111.08076	4.8
117.06986	4.6
119.08556	56.7
121.10128	27.4
123.08054	9.5
123.11662	11.4
125.09608	10.8
129.06989	2.2
131.08536	21.6
133.10110	40.5
135.07961	3.2
135.11667	28.9
143.08575	3.7
145.10083	39.7
147.11694	29.3
149.13223	10.6
153.09108	2.8
157.10104	7.7
159.11668	38.1
161.13245	31.7
163.14809	8.2
165.12892	2.4
171.11667	5.0
173.13252	12.9
175.14777	14.5
177.16383	2.3
183.11676	2.5
187.14774	14.4
189.16423	19.7
189.97141	2.0
191.17889	5.2
199.14824	9.9
201.16367	27.3
203.17955	4.6
205.15840	2.6
213.16293	3.8
215.17957	16.5
219.17436	11.4
221.19328	2.4
235.16962	4.2
247.16864	9.7
261.18427	10.6
283.26526	3.1
294.37085	2.5
325.28870	4.4
357.27722	3.0
371.29437	3.0
383.61703	2.3
395.29367	7.7
407.33044	18.4
435.32431	8.7
453.33542	70.8
480.86121	2.7
511.33725	8.4
512.34271	71.3
512.49591	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	512.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.5
55.05223	2.4
55.05500	22.2
57.03432	20.8
57.07075	4.0
67.05491	38.9
69.07050	13.8
70.06590	2.9
71.04957	3.1
71.72737	2.7
79.05481	34.2
81.03408	100.0
81.07040	45.8
83.04961	18.5
83.08599	23.2
85.02888	14.8
88.07630	3.5
91.05460	39.7
93.07018	28.1
95.04941	24.7
95.08584	17.5
105.06989	23.1
106.94823	2.7
107.04942	4.2
107.08583	20.6
109.06501	5.1
109.10157	6.1
109.48689	2.6
110.72206	2.8
111.08039	6.6
116.90082	3.3
117.07012	3.3
119.08567	22.4
121.10136	17.4
121.18316	3.0
129.06982	15.0
131.08569	17.1
133.10110	12.7
135.11653	5.0
137.09534	3.1
145.10115	5.7
147.11668	5.4
149.09636	5.3
149.13347	3.6
157.10129	6.8
163.11136	3.8
175.11186	11.0
193.12212	22.1
211.13286	13.2
242.66968	3.5
267.15878	66.4
267.70276	2.9
283.15106	5.3
283.26324	5.1
285.16943	20.1
349.21674	3.8
385.23734	5.2
391.79358	4.0
459.27325	12.6
475.01563	3.6
477.28424	30.0
494.34833	3.0
511.33984	11.7
512.33710	7.0
512.50275	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	512.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.6
55.01863	2.6
55.05500	10.3
56.92952	0.5
57.03424	7.3
57.07064	0.8
58.22444	0.5
59.04983	2.6
59.19966	0.4
59.58549	0.5
61.02908	8.0
67.05488	10.2
69.03065	1.0
69.03412	18.1
69.07050	6.4
71.04971	13.6
71.77972	0.4
73.02899	3.2
79.05470	10.8
80.28773	0.5
81.03391	7.6
81.07030	22.8
83.01311	0.7
83.04969	3.8
83.08602	14.8
85.02884	75.7
85.06516	0.6
85.79448	0.4
87.04462	0.6
91.03931	3.0
91.05450	9.9
92.08683	0.8
92.09159	0.9
93.07018	78.2
95.04955	3.2
95.08578	38.3
95.09200	0.9
97.02866	23.5
97.06496	22.2
99.04424	3.5
101.09649	4.4
105.07016	4.4
107.08570	97.9
109.02847	6.1
109.06496	2.2
109.10133	39.2
111.08044	3.3
112.71156	0.5
115.03893	0.8
119.06029	0.8
119.08588	2.5
120.09355	0.6
121.10103	2.9
123.11673	16.6
127.03889	14.1
132.89149	0.6
135.11659	100.0
141.12735	2.3
145.04930	12.9
153.12704	40.2
163.05980	4.3
167.10670	0.9
171.13753	52.3
235.34821	0.6
283.73175	0.5
325.11258	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.01859	7.8
55.05490	3.7
57.00092	0.4
57.03422	5.1
59.04977	0.7
61.02929	3.2
61.03171	0.4
66.64701	0.4
67.05492	19.4
69.03419	3.4
69.07044	3.0
70.01015	0.4
70.06551	0.6
71.04973	3.5
73.02885	1.7
79.05470	7.7
80.10346	0.4
81.03403	3.2
81.07034	12.6
83.04963	20.6
83.08601	3.4
85.02897	10.5
85.06513	3.0
87.04459	2.2
91.03928	0.8
91.05456	4.5
92.09152	3.9
93.07015	16.0
93.07567	0.9
95.04929	2.9
95.08574	7.4
97.02853	4.3
97.06514	6.4
99.04426	4.9
99.08063	2.7
101.02348	0.6
105.03371	8.1
105.07010	3.1
107.04958	3.6
107.08575	11.5
109.02829	1.0
109.06509	1.7
109.09389	0.5
109.10136	12.1
111.04420	64.4
111.08057	18.2
113.05907	0.5
115.03904	10.2
117.07011	3.6
119.08558	6.9
121.06438	1.9
121.10117	16.6
123.08028	0.5
123.11684	0.6
125.05967	3.6
127.03887	2.2
129.05457	1.9
129.06975	2.6
131.08531	4.9
133.10107	1.0
135.08052	2.1
135.11668	20.1
137.05945	4.7
139.07501	0.6
145.04924	0.9
145.06447	0.6
145.10092	14.0
147.04379	0.5
147.08060	0.8
147.11627	4.2
149.05945	0.5
149.09604	5.1
151.07542	1.1
153.12715	28.6
153.13959	1.0
155.08554	1.8
163.11143	45.5
165.09074	0.5
167.07033	4.4
171.13872	0.6
173.09589	8.6
181.12192	46.6
189.73814	0.5
191.10628	37.0
196.10826	0.5
199.13306	0.6
209.11676	18.1
211.09534	0.8
213.14836	0.5
223.13139	0.5
227.12727	37.0
238.16466	0.4
241.14270	4.6
249.07553	0.6
267.08502	0.7
283.15332	29.0
301.16336	4.5
315.17950	100.0
333.18924	0.7
459.04114	0.5
513.09882	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62101	0.8
53.03938	3.6
55.01859	3.3
55.05508	7.7
57.03432	7.3
57.07065	1.8
61.02906	6.0
67.05482	6.2
69.03418	19.6
69.07071	7.9
69.43211	0.8
71.04980	7.5
73.02894	5.1
76.63759	0.9
79.05470	15.1
81.03407	8.6
81.07042	23.4
83.04958	1.3
83.08601	1.5
85.02890	78.5
85.06511	4.5
87.04452	3.4
91.03938	1.5
91.05463	18.6
92.08778	1.9
93.07024	100.0
95.04948	5.1
95.08582	16.2
97.02864	23.2
97.06489	3.9
99.04436	4.9
103.03912	2.0
105.03351	1.1
105.07014	9.1
107.08578	98.4
109.02859	9.2
109.06508	3.9
109.10144	6.0
111.08038	1.0
114.04697	0.9
115.03935	1.4
119.06009	1.2
119.08560	5.1
120.40444	0.9
121.10109	1.6
124.03905	1.5
125.02255	1.1
127.03893	17.3
131.08507	1.0
133.04944	2.1
133.10074	1.2
134.72267	1.1
135.11668	79.8
137.09648	0.9
137.13240	4.6
145.04935	20.7
153.12694	7.1
163.05984	9.4
163.07181	1.2
179.05576	3.5
213.52739	0.9
281.59152	0.8
285.14233	0.9
298.26883	0.9
325.11310	5.6
401.04462	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43578	0.6
53.00299	1.4
53.03945	1.5
53.16596	0.6
55.01858	1.5
55.05500	3.0
57.03419	4.7
58.82648	0.6
59.04979	3.1
61.02906	7.5
67.05481	1.5
69.03416	17.6
69.07063	5.0
71.01286	0.6
71.04974	22.8
73.02889	3.5
73.06532	6.5
79.05470	7.2
81.03412	7.6
81.07038	34.4
83.04934	1.3
83.08597	1.8
85.02888	82.4
86.09689	1.8
89.82527	0.6
91.03931	1.8
91.05456	4.4
92.09015	0.7
93.07016	27.1
93.07570	1.3
95.04952	3.1
95.08585	6.6
97.02869	23.4
97.06505	3.8
99.04444	3.7
101.78871	0.8
103.03912	0.8
105.03385	12.7
105.07005	1.8
107.08572	20.5
109.02854	9.4
109.10135	6.2
111.07986	0.9
119.08546	1.5
121.10108	1.0
123.04406	1.1
124.99982	1.0
125.09631	0.8
127.03883	18.7
131.08533	0.8
133.10109	1.0
135.11655	34.1
135.12675	1.2
137.05981	1.4
137.09604	1.6
145.04930	20.5
147.04367	1.1
153.12718	100.0
163.05980	10.2
163.11150	1.1
165.09082	1.1
171.13795	3.9
173.09639	1.2
177.05444	1.1
211.05893	0.9
223.83224	0.7
289.08990	1.0
309.13235	1.1
325.11130	4.0
399.33643	0.9
435.93112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
52.54041	0.4
53.03938	4.1
53.35096	0.3
54.30560	0.3
55.01862	0.7
55.05493	2.2
57.03424	2.1
61.02889	0.4
67.05491	2.7
69.03415	7.9
69.07044	1.7
71.04969	0.9
77.03926	0.4
79.05475	7.0
81.03398	15.3
81.07038	6.5
83.04970	0.6
83.08612	0.8
85.02893	10.3
87.04451	1.5
91.05446	2.9
93.07007	1.9
95.04937	6.0
95.08586	2.5
97.02868	10.4
97.06475	0.7
99.04424	2.4
105.03371	100.0
105.07001	4.2
107.08561	2.1
108.04462	3.6
109.02859	8.1
109.06522	1.8
109.10143	1.5
111.08078	0.4
115.03912	0.9
119.08546	3.2
121.10148	2.0
123.04398	9.1
123.07972	0.5
123.11717	2.3
125.09650	0.5
126.05537	0.5
127.03898	5.6
129.06966	0.5
131.08490	0.7
133.04941	0.7
133.10081	0.6
135.11697	0.5
145.04909	0.7
145.10068	0.9
147.11659	6.6
157.10069	0.6
165.12718	2.0
193.12329	0.6
229.14296	4.2
231.06532	0.6
249.07509	13.1
249.09846	0.7
266.10324	0.5
267.08557	15.2
283.15421	0.4
292.72964	0.4
337.16470	1.8
355.17526	0.4
477.28195	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01865	0.7
55.05508	0.5
56.99899	0.3
57.03418	0.7
67.05487	0.5
69.03416	3.8
69.07055	0.8
70.06570	0.8
71.04969	0.8
71.54551	0.3
72.75386	0.3
77.03885	0.4
78.04670	0.5
79.05486	4.0
81.03402	7.6
81.07034	1.6
85.02891	5.1
87.04446	0.4
91.05463	6.5
93.07027	9.2
95.04501	0.3
95.04967	5.6
95.08575	1.6
97.02874	4.9
97.06486	0.4
99.04417	1.5
103.05453	6.1
105.03379	39.5
105.07015	5.2
106.04179	0.6
107.04944	7.3
107.08572	2.1
108.04456	2.6
109.02862	3.5
109.10129	0.9
111.08092	0.4
115.05443	0.5
119.04951	0.6
119.08532	0.6
121.06487	15.6
123.04422	4.8
124.05235	0.6
127.03930	3.0
131.04904	0.7
131.05901	0.6
133.06462	5.1
135.04413	0.5
135.08038	1.9
135.11676	1.7
137.05913	0.5
145.02820	0.4
145.04959	0.5
149.05968	29.1
153.12738	0.9
161.05949	7.4
163.03810	0.4
163.07516	3.9
163.11136	0.4
165.05444	0.4
166.06247	5.5
167.07010	100.0
171.13843	0.8
177.05409	0.7
180.07825	1.5
181.08569	36.0
184.07263	0.7
191.88818	0.4
193.08540	3.4
195.10124	2.9
211.09634	61.6
213.11200	0.6
249.07489	3.5
267.08481	1.6
274.01309	0.4
513.50317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.01867	0.7
55.05511	0.7
57.03423	1.3
61.02897	0.4
67.05488	0.7
69.03416	6.8
69.07060	0.5
71.04974	0.5
75.48746	0.2
77.03918	0.4
79.05479	8.3
81.03403	13.0
81.07050	1.3
85.02891	11.7
85.06524	0.3
87.04381	0.3
88.15589	0.3
91.05470	0.6
92.08840	1.2
93.07034	1.2
95.04961	5.9
95.08583	0.5
97.02876	6.2
99.04433	1.9
103.03906	0.5
105.03375	100.0
105.07020	1.8
107.04952	0.5
107.08574	0.5
109.02867	7.3
109.10156	0.4
111.04460	1.2
115.05425	0.7
117.04663	0.3
117.07020	1.2
119.04887	0.5
119.08535	0.5
121.06488	1.5
121.10136	0.4
123.04405	13.2
127.03904	3.9
129.06981	0.3
133.06487	0.7
135.08020	0.5
137.05928	0.4
144.53421	0.3
144.70387	0.3
145.04852	0.5
145.06482	1.8
147.04329	1.1
147.08099	0.4
149.05998	0.7
151.07596	0.3
151.11075	0.3
159.07947	0.3
161.05977	1.4
165.05518	0.7
166.06319	0.3
167.07008	34.9
168.07343	0.6
173.05969	2.0
175.07547	0.5
179.07117	0.5
181.08533	3.3
181.53304	0.3
187.07571	0.5
189.09413	0.3
190.06201	0.4
191.06952	0.4
193.08574	2.2
205.08650	2.1
207.10086	0.7
211.09561	3.6
217.08635	0.6
221.08029	0.4
223.09644	0.5
229.10623	2.9
235.09663	0.4
239.09163	0.6
249.07530	7.3
253.10751	2.0
259.09564	0.4
267.08612	11.0
273.11111	0.3
295.11795	1.1
319.11707	4.2
323.12158	0.4
337.12570	2.1
386.24902	0.4
403.43640	0.3
509.52841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.2
53.03939	2.7
53.97197	0.2
55.01860	1.4
55.05502	1.5
57.03425	1.5
57.07056	0.2
61.02905	1.1
61.72818	0.2
67.05489	3.6
69.03416	8.8
69.07053	1.1
71.04969	1.6
73.02905	0.4
77.03911	0.3
77.60886	0.2
78.04713	0.3
79.05474	8.5
81.03398	14.1
81.07034	5.9
83.04966	3.4
83.08605	1.0
85.02885	11.3
85.06525	0.8
87.04441	0.9
87.65405	0.2
89.54253	0.2
91.05453	3.0
93.07027	2.9
95.04338	0.3
95.04945	7.5
95.08572	1.6
97.02869	6.5
97.06492	1.1
99.04427	2.2
101.02383	0.2
102.49585	0.2
103.03918	0.3
105.03373	100.0
105.06994	3.0
106.03712	0.3
107.04927	1.7
107.08548	2.9
109.02856	7.4
109.03608	0.3
109.06511	0.7
109.10136	2.0
111.04420	9.1
111.08054	2.8
114.74747	0.2
115.03916	1.4
115.05410	0.4
117.07027	1.4
119.04901	0.3
119.08546	3.1
121.06493	1.4
121.10129	3.6
123.04404	11.9
123.08037	0.8
123.11673	1.8
124.30658	0.2
125.05975	0.8
127.03898	4.7
129.06989	0.8
131.08563	0.9
133.06465	0.9
133.10120	0.5
135.08034	0.4
135.11641	2.8
137.05940	0.4
141.05484	0.3
145.04976	1.2
145.06471	1.5
145.10075	2.4
147.04350	1.3
147.08051	0.8
147.11662	4.7
149.05956	0.8
149.09602	0.5
151.03813	0.2
151.07576	0.3
153.12708	3.7
155.08463	0.3
157.10072	0.2
161.05962	1.3
163.11143	5.6
163.14790	0.2
165.05437	1.0
165.09029	0.3
165.12737	1.7
166.06276	0.2
167.06998	33.0
173.05977	1.1
173.09601	0.9
175.07510	1.1
181.08580	3.0
181.12186	5.7
182.12607	0.2
191.07005	0.3
191.10643	5.8
193.08527	1.6
199.07649	0.3
205.08574	1.0
207.06485	0.2
207.10149	1.1
209.08084	0.2
209.11700	2.1
209.15317	0.2
211.09607	2.6
213.09038	0.2
219.10133	0.2
221.08069	0.7
227.12732	4.6
228.10162	0.4
229.10699	2.4
229.14276	1.6
231.06474	0.7
235.09663	0.8
239.06958	0.2
239.09129	0.9
241.14368	0.8
247.09526	0.2
249.07523	7.1
253.10654	1.7
259.09729	0.3
267.08569	12.4
283.15344	7.1
289.10605	0.2
295.11734	1.1
301.10507	0.7
301.16455	0.4
315.17941	9.1
319.11722	3.1
333.19220	0.4
337.12701	1.3
337.16434	1.2
348.11993	0.3
355.17426	0.9
373.18573	0.3
535.52924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11558	4.6
55.05502	44.2
57.07070	65.5
63.36770	5.4
67.05502	13.7
67.79743	5.3
69.07050	67.5
71.08611	40.3
72.96671	5.5
79.05470	25.4
80.59643	5.6
81.07037	69.7
83.08604	53.2
85.10133	7.0
86.55264	6.1
86.60567	5.6
91.05452	8.5
91.31616	5.4
92.08592	14.2
92.09223	46.1
93.07022	100.0
95.08582	46.9
97.10173	26.2
105.07030	7.6
107.08580	55.1
107.99021	5.5
109.06524	10.9
109.10143	31.6
111.08042	9.0
111.11685	6.8
114.37315	6.7
121.06501	7.8
121.10101	40.1
123.11698	25.7
127.07524	34.4
130.90396	6.1
135.11676	39.7
137.98563	4.9
139.11145	5.9
147.75865	6.6
149.13235	39.3
156.45329	5.5
157.08542	6.1
163.14796	12.9
173.13280	5.6
199.81177	5.8
238.96402	5.9
257.35287	6.0
289.28845	43.7
307.29846	44.4
317.28281	36.3
349.31018	25.8
408.25089	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	511.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42117	1.2
55.05508	1.9
63.65361	1.6
73.74417	1.8
80.40512	1.8
81.07057	4.0
84.75860	1.7
88.86793	1.5
91.69773	1.8
92.08714	2.1
92.09193	2.1
93.07006	3.2
105.07018	2.2
107.08544	2.1
114.37788	1.7
129.54678	1.9
134.45245	2.1
149.02362	11.2
149.07472	1.7
193.04984	2.8
194.42896	1.7
237.07597	7.7
348.14093	1.8
510.34662	2.9
511.34076	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	511.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.05503	14.4
57.03415	1.6
57.07061	0.8
59.04983	0.8
61.02903	0.4
67.05479	3.0
69.03412	11.8
69.07048	3.2
71.04962	2.1
72.59054	0.4
79.05478	9.2
81.03403	12.0
81.07028	4.2
83.04967	7.0
83.08601	9.6
85.02887	14.2
85.06524	2.5
89.65020	0.4
90.05509	0.4
91.05438	3.8
92.08846	2.4
92.09367	0.5
93.07021	6.4
95.04945	19.7
95.08582	3.5
97.02856	5.6
97.06502	2.7
97.10151	2.8
99.04436	4.1
99.08060	0.6
103.32738	0.5
105.03371	100.0
105.07002	4.2
106.03699	1.1
107.08570	9.2
109.02844	5.2
109.06487	4.4
109.10150	6.7
111.08068	2.6
113.09604	0.4
115.07529	0.6
115.39475	0.5
117.06969	0.5
119.08567	2.8
121.10123	10.7
123.04403	14.6
123.08006	1.8
123.11689	2.8
125.09613	2.8
127.03897	5.2
131.08536	2.3
133.10115	6.6
135.08047	1.1
135.11681	2.3
137.05989	0.5
137.09557	0.5
139.11252	0.5
145.04991	1.0
145.10144	0.9
147.11656	2.4
149.09604	0.6
149.13223	1.8
151.11162	8.9
153.09088	4.9
163.14833	1.7
166.52477	0.4
167.07042	0.8
167.14272	8.5
173.13242	2.3
175.14787	1.1
176.99245	0.5
191.14301	2.1
193.12044	0.6
209.15344	22.4
224.03127	0.5
227.16457	0.9
231.06490	1.0
249.07544	8.9
267.08545	15.3
268.08890	0.5
274.67093	0.5
274.70892	0.5
294.17825	0.5
295.22369	0.7
296.22821	0.5
341.83344	0.5
382.65683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.2
55.01849	1.2
55.05498	6.8
57.03423	6.0
57.45185	0.4
59.04979	2.4
59.05409	0.6
61.02906	3.2
62.92834	0.5
66.97062	0.5
67.05486	3.0
67.29720	0.5
69.03414	27.7
69.07025	1.1
70.06567	1.1
71.04973	1.1
73.02898	1.3
75.04451	3.1
79.04998	0.8
79.05473	23.4
81.03397	13.5
81.07043	7.8
83.04955	6.5
83.08589	3.0
85.02889	18.5
85.06522	1.0
86.09673	0.6
87.04461	4.4
91.05463	15.4
92.08791	1.7
92.09351	1.1
93.07019	100.0
94.07359	1.4
95.04948	7.5
95.08566	5.1
97.02862	9.2
97.06496	1.3
99.04442	4.9
105.03360	5.5
105.07009	12.9
106.03703	0.9
107.08572	23.2
109.02871	5.2
109.06511	2.7
109.10130	2.8
111.04430	4.9
111.08064	4.0
112.05046	2.4
119.08569	8.3
121.06467	3.1
121.10118	80.9
123.04495	0.7
123.08021	2.8
123.11681	3.9
125.09589	1.0
127.03890	4.7
129.05475	5.5
129.06935	0.9
131.04904	0.8
131.08525	9.6
132.20473	0.6
133.07533	0.8
133.10095	2.9
135.08028	1.4
137.05951	0.9
139.11176	4.2
145.04910	2.3
145.10078	0.6
147.06490	2.6
149.06026	0.9
149.09595	26.3
151.11246	1.6
153.05545	0.6
157.10069	0.6
158.08081	0.7
163.11034	0.8
165.07587	1.1
167.07014	1.5
167.10646	9.9
167.14238	1.3
169.12213	0.9
177.05396	2.8
181.04973	0.9
183.08607	5.4
188.01611	2.4
191.10754	0.8
209.15324	3.4
210.15744	1.2
216.01151	3.0
218.02676	1.0
223.07541	1.4
249.09666	0.8
273.03287	0.8
293.13696	3.7
311.14801	18.6
319.03772	2.9
511.18396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.5
55.01859	1.3
55.05501	6.4
57.03423	5.3
58.01641	0.6
59.04992	1.4
61.02896	1.7
65.03896	0.6
67.05481	3.8
69.03413	27.0
69.07073	0.8
70.06561	1.0
71.04958	2.7
73.02916	1.4
75.04468	1.7
79.05476	24.7
81.03407	10.3
81.07040	7.8
83.04975	6.1
83.08608	1.1
84.08099	0.8
85.02885	19.4
85.06497	0.9
86.09686	0.8
87.04440	2.9
91.03908	0.9
91.05460	15.5
92.08653	1.2
92.09245	2.0
93.07023	100.0
95.04962	8.1
95.08587	3.6
97.02888	7.5
97.06535	1.3
99.04427	4.4
103.03929	0.7
105.03371	3.9
105.07015	13.4
107.04939	1.0
107.08573	19.6
109.02875	6.3
109.06477	1.3
109.10154	2.8
111.04424	4.6
111.08082	5.9
112.05110	3.1
114.37043	0.8
119.08553	9.2
121.06480	1.5
121.10121	77.1
123.08031	2.6
123.11667	3.0
125.09590	1.1
127.03880	5.8
129.05440	4.1
129.06947	0.8
131.08551	9.8
133.10118	1.5
135.08002	1.2
135.11609	0.9
137.05977	1.0
139.11102	1.0
145.04944	1.5
145.10112	1.1
147.06421	1.1
149.05972	1.5
149.09598	29.0
151.07497	0.8
151.11185	1.7
158.08102	0.9
165.07521	1.1
167.07019	2.6
167.10631	9.7
167.14217	0.8
169.12114	1.2
177.05515	1.3
181.04875	1.3
183.08620	4.5
188.01668	2.9
189.99072	0.8
191.10587	0.8
199.35828	0.8
209.15321	4.1
216.01112	3.8
223.07521	1.4
273.03354	0.8
275.12830	1.2
293.13754	3.3
311.14838	18.9
316.89746	0.8
319.03775	3.5
325.85583	0.7
376.47308	0.7
377.70761	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97023	3.8
54.55664	3.8
55.05492	8.3
57.07066	49.1
67.05496	4.0
67.33924	3.9
69.07058	11.1
71.00130	4.0
71.08620	29.4
81.07039	6.6
83.08634	6.2
85.10146	17.3
87.04414	5.8
89.06014	100.0
92.08993	20.8
95.08597	4.0
107.08598	5.3
112.33832	4.4
114.08903	4.2
133.08603	18.4
137.21138	4.0
151.10204	4.7
177.11261	4.7
278.17123	4.8
283.17603	16.9
296.66949	4.9
493.40820	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	511.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.2
55.01849	1.2
55.05498	6.8
57.03423	6.0
57.45185	0.4
59.04979	2.4
59.05409	0.6
61.02906	3.2
62.92834	0.5
66.97062	0.5
67.05486	3.0
67.29720	0.5
69.03414	27.7
69.07025	1.1
70.06567	1.1
71.04973	1.1
73.02898	1.3
75.04451	3.1
79.04998	0.8
79.05473	23.4
81.03397	13.5
81.07043	7.8
83.04955	6.5
83.08589	3.0
85.02889	18.5
85.06522	1.0
86.09673	0.6
87.04461	4.4
91.05463	15.4
92.08791	1.7
92.09351	1.1
93.07019	100.0
94.07359	1.4
95.04948	7.5
95.08566	5.1
97.02862	9.2
97.06496	1.3
99.04442	4.9
105.03360	5.5
105.07009	12.9
106.03703	0.9
107.08572	23.2
109.02871	5.2
109.06511	2.7
109.10130	2.8
111.04430	4.9
111.08064	4.0
112.05046	2.4
119.08569	8.3
121.06467	3.1
121.10118	80.9
123.04495	0.7
123.08021	2.8
123.11681	3.9
125.09589	1.0
127.03890	4.7
129.05475	5.5
129.06935	0.9
131.04904	0.8
131.08525	9.6
132.20473	0.6
133.07533	0.8
133.10095	2.9
135.08028	1.4
137.05951	0.9
139.11176	4.2
145.04910	2.3
145.10078	0.6
147.06490	2.6
149.06026	0.9
149.09595	26.3
151.11246	1.6
153.05545	0.6
157.10069	0.6
158.08081	0.7
163.11034	0.8
165.07587	1.1
167.07014	1.5
167.10646	9.9
167.14238	1.3
169.12213	0.9
177.05396	2.8
181.04973	0.9
183.08607	5.4
188.01611	2.4
191.10754	0.8
209.15324	3.4
210.15744	1.2
216.01151	3.0
218.02676	1.0
223.07541	1.4
249.09666	0.8
273.03287	0.8
293.13696	3.7
311.14801	18.6
319.03772	2.9
511.18396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.4
55.05261	0.7
55.05504	9.2
56.13482	0.5
57.03427	7.5
57.07065	84.4
61.02914	8.2
62.43868	0.6
67.05490	19.0
69.03426	1.2
69.07051	15.0
71.04962	0.8
71.08611	61.3
73.02908	2.5
75.04449	3.7
77.25084	0.6
79.05467	1.3
81.07031	28.1
83.08598	19.8
85.02893	7.7
85.06521	0.9
85.10162	31.1
85.10653	1.3
89.06032	1.4
91.03925	2.7
92.08997	4.8
93.07005	1.4
95.08582	44.1
97.02863	4.5
97.10144	10.8
99.04420	1.3
99.11728	2.5
100.11932	0.7
102.67586	0.6
103.07566	0.9
105.07003	1.0
107.08559	0.8
109.10135	20.9
111.11680	1.3
121.10139	1.0
123.11679	9.3
125.13316	1.0
127.03892	1.2
132.19759	0.6
135.11705	0.9
137.13251	3.0
151.14848	0.9
165.16388	0.8
221.22633	1.0
239.23636	27.0
257.24762	5.1
289.24542	0.6
302.77460	0.7
313.27289	100.0
331.28363	25.8
331.32251	1.4
341.72968	0.7
342.19861	0.6
383.27719	1.1
384.66425	0.8
401.28876	4.2
530.42963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3545
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
51.99190	0.3
53.32061	0.3
55.05501	3.1
56.05016	0.8
57.03423	2.9
57.07067	23.4
58.06589	1.4
60.08154	21.0
61.02907	1.9
61.94804	0.3
67.05498	4.4
69.07053	3.6
71.06992	0.4
71.07357	8.9
71.08245	0.6
71.08617	15.5
75.04465	0.4
81.07036	7.2
81.50236	0.3
83.08173	0.4
83.08614	4.4
85.02886	1.7
85.10170	7.8
86.09690	71.3
89.06023	0.5
91.03903	0.4
91.05463	0.8
92.08859	2.9
95.08575	10.8
97.02853	0.7
97.10162	2.4
97.41030	0.4
98.98440	5.0
99.11685	0.6
104.10725	98.6
105.33234	0.4
109.10158	4.0
111.11730	0.4
121.10157	0.4
123.11703	1.8
124.99980	43.2
125.13235	0.3
137.13240	0.7
138.80420	0.3
143.01059	0.6
163.01598	0.4
184.07306	100.0
239.23616	6.1
257.24756	1.5
258.11066	0.6
278.27399	0.4
309.18475	0.5
313.27325	25.4
327.28918	1.7
331.28406	4.6
433.26556	0.5
492.34399	7.3
510.35492	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.01861	0.5
55.05505	7.0
57.03421	0.9
57.07070	3.1
57.07305	0.3
59.04982	0.5
60.65501	0.3
61.02896	1.0
65.03907	0.5
67.05489	7.9
69.03074	0.5
69.03417	10.1
69.07052	14.3
70.07381	0.9
71.04966	2.4
71.08598	0.6
76.55939	0.4
76.98339	0.4
79.05472	11.4
81.03393	11.6
81.07036	25.3
82.07363	1.7
83.04964	6.1
83.08598	6.7
85.02886	15.0
85.06525	3.1
85.10157	0.4
87.04462	0.6
91.05459	13.0
92.08842	1.6
93.07021	8.9
95.04941	20.8
95.08579	21.8
96.08920	2.6
97.02863	6.0
97.06496	2.2
97.10120	3.7
99.04443	2.5
99.08089	0.9
101.02371	0.4
105.03369	100.0
105.07013	9.2
107.04931	0.5
107.08573	32.0
108.08878	0.5
109.02862	5.9
109.06501	9.9
109.10138	14.8
110.10434	1.0
111.08066	3.1
111.11653	2.1
117.07009	0.5
119.08538	5.0
121.06485	0.6
121.10120	9.9
123.04409	11.7
123.08043	2.0
123.11668	6.7
124.12064	0.5
125.09577	0.7
125.13206	1.0
127.03905	6.3
131.08548	4.5
133.10095	17.4
135.08028	3.0
135.11655	4.3
137.09604	1.0
137.13252	0.8
143.08549	0.9
145.04935	1.9
145.10123	3.1
147.11641	3.5
149.09592	0.8
149.13226	7.4
151.11174	1.7
151.14778	2.7
152.15195	0.5
153.09018	4.2
153.12663	0.5
157.10201	0.5
158.10881	2.5
158.12204	0.4
159.11646	0.5
163.14864	1.4
167.10628	1.6
167.14233	0.5
169.15874	0.9
173.13225	9.8
175.14798	0.6
191.14256	22.1
209.15273	3.4
227.16406	1.9
249.07524	9.6
256.94205	0.5
267.08554	13.2
275.27377	0.8
281.28476	0.6
293.28452	0.5
294.28607	0.8
295.26251	0.4
311.29355	2.0
312.29825	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01854	0.9
55.05505	7.9
57.03419	2.2
57.07059	1.0
59.04962	0.4
60.62535	0.4
61.02907	1.6
67.05493	6.7
69.03411	11.4
69.07057	4.4
70.33229	0.3
71.04979	2.2
71.15514	0.4
79.05473	12.6
80.74703	0.4
81.03400	12.4
81.06593	0.8
81.07035	14.6
83.04963	5.7
83.08608	5.3
85.02889	13.6
85.06520	2.5
87.04459	2.2
89.43582	0.3
91.05453	6.1
92.08718	0.7
92.09203	0.7
93.06483	0.7
93.07024	12.6
95.04945	10.6
95.08579	8.0
97.02862	6.5
97.06509	5.1
97.10136	1.9
99.04428	2.5
99.08099	0.4
105.03372	100.0
105.07005	9.6
106.03698	3.2
107.04965	0.9
107.08562	11.6
108.04449	0.4
109.02859	6.3
109.06499	9.4
109.10142	16.7
110.64417	0.4
111.08057	2.3
115.07551	0.6
117.06975	1.0
119.04890	0.7
119.08539	7.1
121.06488	0.6
121.10115	14.7
123.04401	12.3
123.08035	3.9
123.11687	6.2
125.09605	2.0
126.15358	0.4
127.03910	5.9
129.07002	0.5
131.08531	6.4
133.10101	21.2
135.08037	2.6
135.11635	1.6
137.09587	3.2
137.13203	0.9
138.09953	0.7
143.08527	0.7
145.04962	1.7
145.10126	3.4
147.04391	0.7
147.11647	3.6
149.09630	1.9
149.13229	4.6
151.11160	8.9
153.09076	2.9
156.03825	0.5
158.10873	1.5
161.09627	1.7
161.13181	0.4
163.14786	2.0
165.12770	2.1
167.10648	2.4
167.14272	5.6
173.13202	7.8
175.14804	2.6
179.10698	0.5
191.14319	5.5
195.13676	0.6
209.08006	1.4
209.15318	16.9
221.11708	2.7
227.16373	4.1
231.06555	0.6
231.21266	0.4
249.07533	8.6
267.08578	15.9
268.09030	1.7
295.22617	1.6
313.16376	6.0
482.06400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52696	0.5
53.00305	0.5
53.03928	4.0
53.47895	0.6
55.01865	1.4
55.05493	4.4
55.21791	0.5
57.03416	3.2
59.07284	0.7
63.36814	0.6
67.05480	6.4
69.03409	10.1
69.07047	4.8
71.04972	1.5
74.59599	0.6
79.05476	13.4
81.03397	11.4
81.07039	10.5
83.04957	3.5
83.08587	3.0
85.02888	15.1
85.06512	0.9
86.09684	0.6
91.05472	6.4
92.08861	1.1
93.07039	8.6
95.04952	10.0
95.08592	5.7
97.02874	6.1
97.06506	5.9
97.10159	1.2
99.04404	3.3
105.03372	100.0
105.06998	9.8
106.03695	0.7
107.04969	0.9
107.08586	9.1
109.02837	6.3
109.06509	10.5
109.10161	6.1
111.08065	1.3
115.07646	0.7
117.06970	2.9
119.08561	9.8
121.06463	1.1
121.10121	7.4
123.04414	13.6
123.08036	3.4
123.11639	2.5
125.09568	0.9
127.03880	5.5
131.04863	0.7
131.08560	8.4
133.10109	15.1
135.08017	3.2
135.11636	0.8
137.06003	0.7
143.08612	1.1
145.10114	4.2
147.04338	0.7
147.11646	8.3
149.02333	0.8
149.09575	0.9
149.13248	1.3
151.11206	0.9
153.09113	3.5
158.10927	0.9
159.11761	0.9
161.13187	1.3
163.11087	1.2
163.14774	1.2
165.12706	2.4
173.13194	10.4
175.14761	1.4
183.04828	0.6
191.10556	0.9
191.14310	8.3
209.11745	0.9
209.15297	8.4
226.33743	0.6
227.12732	0.8
227.16476	6.4
249.07483	8.0
267.08542	18.9
326.65540	0.7
351.25177	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	510.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.5
53.00289	0.5
53.03934	2.3
55.01872	3.8
55.05503	2.8
57.03433	6.8
57.07059	3.1
59.04989	14.9
61.02915	11.1
64.33379	0.4
67.05491	6.5
69.03415	24.7
69.07038	1.2
71.04976	15.7
73.02895	2.7
79.05476	9.8
81.03403	9.7
81.07040	36.0
82.03783	0.5
83.04987	1.1
83.08591	0.8
85.02892	100.0
85.06533	0.6
87.04450	2.8
87.53655	0.4
91.03940	4.1
91.05452	5.5
92.08714	0.6
92.09212	1.1
93.07028	16.5
95.04935	5.1
95.08586	5.7
97.02872	27.5
97.06519	1.2
97.61166	0.5
99.04436	4.8
105.03394	0.5
105.07005	7.9
107.04941	5.2
107.08579	15.3
109.02862	9.9
109.06503	10.1
109.10143	24.4
111.08057	7.3
115.03928	2.1
117.06962	0.6
118.06511	1.3
119.08572	0.8
121.02831	2.1
121.06530	0.8
121.10126	1.2
123.04398	0.5
123.08066	3.1
123.11688	30.1
127.03896	18.6
129.06956	0.8
131.08565	1.2
133.10110	17.1
135.11772	0.6
145.04941	20.3
147.04361	0.9
147.08017	0.6
147.11685	0.7
150.74895	0.5
151.11165	69.9
153.12706	2.4
157.10071	0.6
163.06006	7.5
167.08495	0.5
169.12195	17.7
175.11147	0.8
184.11183	0.5
205.12190	0.6
209.25188	0.5
276.15884	1.2
281.72217	0.5
295.15427	2.9
313.16382	4.9
325.11331	4.8
331.17474	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	510.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
53.89009	0.5
55.01859	4.5
55.02074	0.5
55.05503	10.3
57.03423	5.0
57.07064	0.7
59.04983	2.0
61.02915	3.5
61.03176	0.5
67.05491	12.5
69.03410	5.7
69.07050	3.7
70.06566	2.4
71.04951	1.2
71.91798	0.5
73.02899	0.6
79.05471	9.1
81.03397	9.7
81.07031	17.6
83.04952	4.3
83.08601	8.6
85.02884	20.2
85.06530	3.2
91.05457	28.2
92.08745	1.8
93.07022	17.0
95.04935	6.0
95.08585	8.1
97.02866	9.3
97.06496	2.8
97.10091	0.6
99.04401	0.9
103.05428	0.8
105.03369	18.6
105.07008	19.4
106.03713	0.5
107.04919	5.7
107.08572	17.0
108.08933	0.8
109.02860	13.3
109.06480	3.5
109.10134	7.0
111.04469	1.0
111.08038	4.4
112.07568	2.4
113.02346	36.9
117.06983	3.1
119.04894	2.0
119.08562	12.7
121.02908	0.5
121.06487	6.7
121.10110	5.8
123.04382	4.0
123.08023	2.3
123.11658	3.3
125.09602	0.7
127.03856	4.8
128.06163	2.4
129.05446	3.6
131.08533	7.4
133.06487	1.2
133.10101	52.8
135.08026	3.1
135.11649	2.1
137.05908	0.8
137.09605	1.0
143.08539	8.1
145.06450	0.8
145.10072	2.7
147.04428	1.9
147.08014	0.7
147.11667	1.3
149.09616	1.1
149.13231	1.0
151.07503	0.7
151.11145	18.9
153.06880	0.8
153.09056	1.3
153.19014	0.5
158.10925	1.1
160.97574	0.7
161.09595	26.0
161.13245	1.1
163.11150	0.9
163.14772	3.7
167.07013	2.1
171.08051	4.6
173.13185	6.8
177.05431	0.6
179.10631	28.6
181.01236	0.5
189.09038	9.2
191.14368	5.4
193.12239	2.3
207.10117	14.2
211.13246	6.2
225.11154	5.8
239.12677	6.1
247.07773	0.6
249.07524	3.2
267.08496	5.1
281.13605	0.8
297.42947	0.6
299.14709	2.9
313.16382	100.0
331.17444	1.1
392.20319	0.5
396.00452	0.5
475.21469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
54.47235	0.3
55.01863	2.3
55.05500	3.7
57.03430	5.8
57.07062	1.2
57.52411	0.3
59.04987	0.4
61.02916	10.8
64.33564	0.3
65.54017	0.3
67.05486	2.8
69.03416	18.0
69.07053	31.1
71.01329	0.4
71.04969	2.8
73.02900	4.6
76.57144	0.3
79.05465	1.8
81.03404	7.7
81.07034	10.3
83.01347	0.3
83.04967	2.1
83.08592	2.2
85.02889	100.0
85.06577	0.5
87.04428	2.8
91.03932	5.3
91.04859	0.3
91.05457	1.6
92.08906	1.5
93.07014	0.8
95.04942	1.5
95.08595	2.9
97.02869	27.1
97.06522	0.3
98.06026	0.4
99.04417	5.1
99.92648	0.4
100.11263	0.6
101.02311	0.3
103.03924	0.4
105.03374	9.8
105.07038	1.7
107.08572	2.4
109.02861	9.9
109.06487	1.6
109.10143	4.5
111.04380	0.3
111.08074	0.4
115.03908	1.5
116.14960	0.3
119.08547	0.6
121.10136	0.8
123.04427	0.5
123.11681	27.7
125.09641	0.4
127.03889	20.7
131.08487	0.5
133.10133	1.8
137.09549	0.4
144.06552	0.8
145.04939	22.8
147.11720	0.7
149.13251	0.5
151.11160	19.5
162.07698	0.3
163.05980	7.9
167.14297	3.3
169.12204	2.1
173.13229	0.5
175.14816	0.5
182.15356	0.4
191.14291	0.5
209.15315	5.6
267.08612	1.9
277.14316	0.3
289.09125	0.4
313.16516	2.6
325.11462	0.4
436.69183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.4
53.03936	4.3
55.01857	1.4
55.05500	2.1
57.03428	1.8
57.07051	0.5
59.05001	0.2
66.59504	0.3
67.05487	4.5
69.03413	8.0
69.07044	2.9
71.04974	2.9
73.02892	0.4
75.62100	0.3
79.05471	10.1
81.03396	12.4
81.06589	0.4
81.07034	6.8
83.04979	1.9
83.08591	0.5
85.02886	11.2
85.06529	11.5
85.83569	0.3
87.04460	0.3
91.05453	4.2
92.08801	1.4
93.07029	3.4
95.04941	6.7
95.08585	3.7
97.02869	6.2
97.06506	1.3
97.10128	0.5
98.25597	0.2
99.04417	2.0
99.08093	0.3
105.03371	100.0
105.06995	4.3
106.03729	0.3
107.04935	1.8
107.08578	5.6
109.02853	6.7
109.06487	2.7
109.10143	2.6
111.04423	3.9
111.08066	0.4
115.03983	0.3
117.06982	1.2
119.08561	4.8
121.06493	2.4
121.10117	3.5
123.04405	11.3
123.08035	1.2
123.11686	1.1
125.05956	1.4
125.09592	0.3
127.03893	4.5
129.06976	1.1
131.08540	10.9
132.55435	0.3
133.10110	5.5
133.83296	0.3
135.08054	1.1
135.11665	1.6
137.05946	14.6
137.09583	1.2
137.13263	0.4
145.04933	1.2
145.06396	0.3
145.10101	5.7
147.04396	0.6
147.08032	1.0
147.11668	2.1
149.09589	8.6
149.10693	0.4
149.13280	0.3
151.07542	0.5
151.11182	1.8
153.05365	0.3
155.07001	0.3
155.08511	0.3
157.10123	0.5
161.09593	1.7
161.13264	0.5
163.11142	3.9
165.09074	1.9
167.07039	0.4
167.10640	3.3
173.09615	1.0
173.13226	0.3
175.11188	0.5
179.10657	1.5
191.10622	7.5
191.14273	0.5
193.12263	0.5
203.17899	0.6
204.61073	0.3
209.11691	9.0
211.13377	0.3
213.16429	0.4
221.11731	1.2
227.12733	21.0
231.06508	0.7
231.17490	1.3
249.07541	8.0
249.18533	0.4
261.42093	0.3
267.08575	12.9
277.17920	4.3
277.20801	0.3
277.22015	0.2
294.98557	0.3
295.19058	0.5
295.22357	0.4
313.16284	2.6
351.21613	4.6
369.22629	2.4
492.24039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02171	0.2
51.58295	0.3
53.03936	1.6
55.01867	2.8
57.03424	4.4
59.04993	0.3
61.02913	10.0
64.15320	0.3
67.05476	0.4
69.03416	14.0
69.19662	0.3
70.06570	0.5
71.01335	0.4
71.04980	2.3
73.02908	3.4
73.34120	0.2
79.05453	0.7
81.03394	7.3
81.07035	0.4
83.04990	0.4
84.08132	0.4
85.02887	70.8
87.04436	2.4
91.03927	3.6
91.05462	0.6
92.08981	0.4
93.07047	0.3
95.04964	0.6
95.08537	0.6
97.02867	19.5
97.03497	0.6
99.04418	3.7
103.03912	0.5
103.86858	0.3
105.03381	0.3
105.07003	0.6
107.04934	1.4
107.08578	0.5
109.02863	7.8
109.06500	0.4
110.03642	0.6
112.05064	0.5
115.03909	0.4
117.03372	1.2
127.03892	16.0
129.73573	0.3
131.08522	0.3
133.10136	0.6
135.08081	0.4
137.02313	100.0
145.02965	3.1
145.03804	0.8
145.04933	21.4
146.03171	1.4
151.11201	0.6
151.23471	0.3
162.99535	0.3
163.05966	8.0
169.04924	51.7
169.12183	0.4
177.05409	4.4
178.04454	0.3
178.05734	2.9
179.05928	0.4
181.06999	0.3
213.09041	0.4
231.12297	0.3
314.16977	0.4
532.81439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38098	0.3
53.03939	5.7
55.01866	7.9
55.05506	7.1
57.03429	6.4
59.04989	0.5
61.02915	5.3
65.03917	1.0
65.91404	0.4
67.05492	6.9
68.99769	1.9
69.03412	21.2
69.07043	4.2
71.04971	5.3
73.02899	5.8
79.05474	9.3
80.05806	0.5
81.03396	24.7
81.07034	9.0
82.07346	0.5
83.01324	0.9
83.04953	2.4
83.08595	3.3
85.02886	45.5
85.06519	0.9
87.00806	20.9
87.04447	0.7
91.03928	2.2
91.05456	100.0
92.05836	0.6
93.07021	7.2
95.04944	6.3
95.08572	5.6
97.02865	35.6
97.06480	3.2
97.10141	4.6
99.04430	10.3
105.01861	13.0
105.03368	28.3
105.04079	0.9
105.07016	5.1
106.07335	0.6
107.04916	5.6
107.08575	7.2
109.02859	17.3
109.06507	5.0
109.10130	3.7
110.10416	0.5
111.08051	0.7
114.37566	0.5
117.01841	2.7
117.06985	2.2
119.04944	0.6
119.07829	0.5
119.08540	3.3
120.08916	0.5
121.06425	3.6
121.10077	3.6
123.04394	4.5
123.08048	1.8
123.11713	0.7
125.09611	3.1
127.03888	29.0
129.01826	2.7
129.06952	1.7
131.08536	3.3
133.10103	5.2
135.08012	2.9
135.11676	0.6
137.02312	1.0
137.05920	0.5
137.09628	0.6
141.06975	0.5
143.08553	1.0
145.04927	15.1
145.06421	1.5
145.10135	1.7
147.02902	0.8
147.08046	0.7
147.11633	3.3
149.09596	1.7
150.54756	0.4
151.11124	0.7
153.09119	0.8
157.10103	0.9
159.02850	11.6
159.04138	0.4
159.07977	0.5
159.11668	0.7
161.13246	0.4
167.03392	0.7
169.10089	0.6
173.13246	2.2
191.14316	1.7
209.15338	2.2
218.72818	0.4
227.16451	1.9
231.04904	3.5
238.18001	0.6
245.07988	3.2
249.07536	2.9
255.13530	0.4
267.08569	7.4
273.14941	0.9
351.25113	1.0
367.22589	2.7
368.23062	1.7
385.23685	2.9
386.24036	2.5
459.27423	3.5
460.27704	2.9
477.28421	3.2
478.29037	3.8
510.31415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.8
53.72069	0.6
55.05506	27.2
57.03421	1.7
57.07065	17.0
59.04968	1.2
59.95803	0.6
63.42123	0.6
63.44666	0.6
67.05142	1.1
67.05490	29.3
67.53358	0.7
69.03393	1.5
69.07056	66.0
71.04961	1.1
71.08625	5.8
79.05476	10.7
81.03369	1.0
81.07040	98.2
83.08605	29.5
85.02886	7.9
85.06528	15.4
85.10152	2.9
87.06853	0.7
92.08813	0.7
93.07022	11.4
95.04952	0.9
95.08585	100.0
97.02861	2.8
97.06483	0.8
97.10147	21.5
99.08064	7.8
105.03393	6.6
105.07014	2.9
106.03706	0.9
107.08574	13.2
109.10144	58.4
111.08124	1.1
111.11699	14.2
113.09628	1.3
121.10133	9.7
123.10798	1.3
123.11686	32.0
125.13285	5.7
127.03895	1.0
127.11163	1.6
129.12743	0.9
131.08514	0.8
135.11679	7.6
137.13232	11.2
143.14310	1.8
149.13251	10.1
151.14790	12.8
157.15851	1.0
159.42543	0.7
163.14742	7.3
165.16330	6.4
169.15761	0.9
177.16341	3.3
179.17905	3.7
183.17397	1.6
191.17928	0.9
193.19444	1.5
197.18953	0.8
199.20483	1.0
205.19370	1.0
211.20515	0.8
219.20930	1.1
257.35214	0.9
263.27063	1.2
267.27020	0.7
275.27267	7.1
281.28345	12.1
293.28302	18.6
311.29410	27.3
329.30429	4.3
371.11697	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.2
55.01859	8.1
55.05506	33.1
57.03407	8.9
57.07066	13.1
59.37498	1.5
60.48634	1.6
61.02895	1.5
67.05145	2.2
67.05486	36.2
69.03407	12.8
69.07055	63.6
71.08616	3.5
79.05477	24.1
81.03394	24.6
81.07037	100.0
82.07370	4.4
83.04965	4.3
83.08604	33.4
83.97546	1.8
85.02890	26.6
85.06519	9.9
91.05442	21.0
92.08830	6.5
92.09345	1.9
93.07025	32.7
95.04938	20.3
95.08014	3.6
95.08582	83.0
97.02875	7.2
97.06514	8.9
97.10154	22.3
99.00809	1.8
99.08070	4.2
105.03374	96.4
105.07011	27.2
106.03696	15.6
107.04913	6.5
107.08584	31.3
108.08878	3.0
109.02853	7.2
109.06484	11.5
109.10136	52.6
110.06698	1.7
111.04437	3.1
111.11704	10.7
119.04858	2.3
119.08557	15.6
120.08920	1.8
121.10128	19.0
123.04395	14.8
123.08024	3.4
123.11665	21.8
125.09585	2.6
125.13203	2.6
127.03895	7.8
127.11123	3.1
129.06987	4.2
131.08577	3.4
133.06393	2.1
133.10098	18.6
135.07977	2.9
135.11668	10.8
137.09604	13.7
137.13231	9.5
138.09897	4.1
143.08513	3.1
145.10089	3.6
147.11661	11.4
149.13243	13.3
151.14816	14.9
153.09033	2.0
157.10023	2.8
159.11612	1.8
161.09549	3.1
163.14804	3.4
165.12679	2.1
165.16319	6.6
171.11575	2.4
177.16164	2.2
179.17906	2.2
189.12669	2.6
190.12961	3.1
193.12149	3.4
209.15338	6.9
211.13248	4.3
225.40637	2.2
227.16299	3.3
249.07523	3.4
250.07924	2.4
267.08572	16.4
267.16071	2.2
268.08853	6.8
275.27231	2.6
281.28430	2.1
293.28299	17.7
311.29364	10.6
350.23984	2.2
491.26422	3.0
509.27887	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	509.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.05502	22.6
57.03421	2.5
57.07062	12.6
59.04985	0.7
61.02911	1.1
65.03951	0.7
67.05490	23.2
69.03410	4.2
69.07053	59.8
71.04982	0.9
71.08614	6.9
73.06538	0.7
79.05463	9.0
81.03398	2.8
81.07035	97.2
83.04956	0.6
83.08596	28.9
85.02884	14.3
85.06525	12.1
85.10161	0.9
91.05454	2.6
92.08724	0.6
93.07021	16.2
95.04937	4.2
95.08581	100.0
97.02869	5.3
97.09589	0.9
97.10153	13.7
99.08065	7.3
105.03371	12.3
105.06993	2.9
107.08569	15.6
109.02837	1.3
109.06503	1.2
109.10136	53.8
111.08028	1.3
111.11707	11.7
113.09622	0.9
117.06964	0.6
119.08590	1.2
121.10114	10.4
123.04416	1.0
123.07999	0.7
123.11683	25.6
125.13240	5.4
127.03864	3.2
127.11161	3.5
131.08534	0.8
133.10129	2.8
135.11638	7.1
135.76624	0.7
137.13235	11.3
139.14761	0.6
143.14268	1.5
144.49199	0.7
145.04929	2.2
145.10106	1.2
147.11653	3.0
149.13235	12.8
151.13654	0.8
151.14813	17.1
153.12704	2.4
153.61902	0.6
155.14241	0.9
163.14764	5.6
165.16362	6.8
169.15845	3.9
173.13213	0.9
177.16356	2.4
179.17906	2.4
189.12688	1.3
191.14310	1.1
191.17903	1.2
191.26959	0.6
193.19505	1.1
199.20499	0.8
205.19588	2.2
219.21068	2.3
237.22081	1.1
239.23720	0.7
249.07584	0.7
267.08548	1.3
275.27286	6.7
281.28329	4.2
293.28326	16.6
311.29352	12.2
329.30450	1.5
452.33347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01859	1.3
55.05503	26.4
57.03423	15.0
57.07069	5.0
57.07291	0.5
62.53966	0.5
64.33281	0.6
65.03915	1.3
65.47649	0.6
66.26093	0.6
67.05491	65.0
69.07052	29.1
71.04964	0.9
71.08616	0.9
75.04469	1.0
76.90834	0.7
77.39385	0.6
79.05473	18.8
81.07037	65.0
83.04961	1.3
83.08597	13.7
85.06538	1.1
85.10158	0.7
91.05452	11.9
92.09005	6.8
93.07013	23.5
95.04958	2.7
95.08578	47.8
96.58219	0.7
97.06506	4.2
97.10137	6.2
98.98441	63.8
101.52568	0.6
105.07012	9.1
107.08574	13.1
109.06497	1.1
109.10136	18.0
111.08051	1.0
113.91271	0.6
116.99457	1.5
117.07006	0.9
119.08581	6.3
121.10114	6.7
123.11677	6.7
125.09666	1.0
127.07539	0.8
131.08551	1.1
133.10097	8.5
135.11661	4.2
137.13295	1.1
145.10201	0.8
147.11662	3.7
149.13342	2.5
155.01012	17.1
157.09940	0.7
159.11638	0.9
161.13214	1.3
163.14783	1.2
173.02039	5.9
175.14818	1.2
184.07503	0.8
229.04793	1.4
238.71342	0.7
245.22592	3.4
247.05782	1.0
261.18332	1.1
263.23618	4.3
272.35080	0.7
319.26260	1.4
337.27292	100.0
417.23746	0.7
473.26563	6.9
505.98480	0.7
509.32248	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	509.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.6
53.03942	5.8
55.01858	1.3
55.05493	2.4
57.03420	2.6
61.02918	4.6
65.03936	1.0
67.05505	3.9
69.03067	0.7
69.03416	12.5
69.07057	4.1
71.04978	2.2
73.02888	0.7
77.03919	0.6
77.48636	0.6
78.89153	0.5
79.05468	10.7
79.67834	0.6
81.02931	0.9
81.03400	24.4
81.03872	1.0
81.07027	6.2
83.04959	1.0
85.02886	18.0
85.06513	0.8
89.03877	1.1
91.05479	6.3
92.09167	0.6
93.07009	7.0
95.04952	11.8
95.08594	5.9
97.02885	11.7
97.06508	1.2
99.04433	3.1
105.03374	100.0
105.04507	2.7
105.06995	3.4
107.04932	3.5
107.08576	5.4
109.02866	11.2
109.06503	3.6
109.10145	4.8
117.03360	9.2
118.03706	1.2
119.04923	2.3
119.08553	3.2
121.02818	0.8
121.10107	4.5
123.04398	11.4
123.07986	0.9
123.11700	0.7
125.02331	0.7
127.03903	6.8
128.04193	0.7
131.08511	0.7
133.02817	3.5
133.10106	1.0
134.03584	0.5
135.04430	1.0
135.08055	0.9
135.11711	2.1
137.05975	7.8
137.09584	0.8
138.05457	0.9
140.04660	29.2
145.01683	1.4
145.02826	36.1
145.04936	3.1
145.10104	2.2
146.03145	8.6
147.04382	2.8
149.05968	5.4
149.09616	0.7
149.13229	3.1
155.07008	26.1
155.08276	1.1
161.13269	0.8
163.03891	2.2
165.05447	7.5
165.09081	0.8
167.07007	0.7
167.14326	0.9
171.06483	1.2
173.08057	2.8
177.05432	49.9
178.05763	13.6
179.07019	3.7
180.04091	6.0
181.04918	21.1
183.06482	0.8
193.04985	6.2
195.06396	4.1
197.08110	2.6
207.06505	7.8
225.07510	6.9
225.09625	0.8
243.08597	30.6
243.11147	1.3
249.07561	11.5
261.95389	0.6
264.79245	0.6
267.08557	4.8
275.20334	0.7
321.09689	2.4
329.23306	0.8
339.10602	2.1
340.11160	1.3
370.32617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19603	0.1
54.54623	0.1
55.05502	0.8
56.05030	0.6
57.03427	0.2
58.06576	0.2
60.08154	9.0
66.59435	0.1
67.05492	1.2
67.93585	0.2
69.07046	1.3
71.07362	3.3
77.41102	0.1
81.07053	1.2
83.08608	0.8
86.09693	45.3
91.05460	0.3
92.09010	1.7
93.07020	0.8
95.08588	1.1
98.98447	4.2
104.10727	3.6
105.07019	0.2
107.08569	0.8
109.10138	0.3
121.10085	0.2
124.99984	33.6
129.42365	0.2
135.11729	0.2
143.01109	0.2
150.80695	0.2
151.48575	0.2
157.10091	0.2
184.07312	100.0
188.34859	0.2
297.26007	0.2
337.27173	0.9
490.32870	0.8
508.34012	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	508.3396
Annotation	PC(17:1(10Z)/0:0)
Peak:m/z	Relative Intensity
55.05492	2.7
55.37338	0.4
56.05013	0.8
57.03423	1.0
57.07048	2.1
58.06579	0.9
60.07867	0.7
60.08153	20.8
60.08457	0.8
67.05494	3.8
69.07043	4.6
69.27658	0.5
71.07363	6.5
71.11989	0.4
79.05462	2.3
81.07030	3.8
83.08604	2.1
85.06509	0.5
85.44864	0.4
86.09691	73.3
91.05470	0.6
92.08978	4.2
93.07019	3.2
95.08566	3.7
95.28413	0.4
97.02905	0.7
97.10112	0.8
98.98444	4.6
104.10725	100.0
105.07027	0.6
107.08566	2.3
108.30601	0.5
109.10143	1.0
119.08562	1.0
121.04438	0.6
121.10108	1.7
124.99979	40.5
133.10091	0.9
134.67531	0.5
135.11653	1.9
145.10133	1.1
147.11632	0.8
173.13060	0.5
184.07306	98.5
195.00240	1.1
258.11115	0.7
325.27249	2.0
374.34219	0.6
490.32562	8.0
508.33893	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	508.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33976	0.7
53.00296	0.9
53.03938	6.0
55.01856	4.2
55.05505	12.2
57.03437	9.2
57.07061	3.7
61.02920	9.8
62.68898	0.6
63.94617	0.7
67.05493	14.4
69.03064	1.6
69.03416	29.8
69.06712	1.4
69.07058	27.0
69.91267	0.9
71.04978	6.5
72.08152	1.7
73.02893	4.0
79.05479	27.0
81.03400	16.0
81.07041	41.2
83.04969	4.0
83.08612	4.8
85.02892	100.0
85.06543	4.4
87.04456	1.3
90.14079	0.8
91.03944	4.7
91.05455	20.5
93.07024	82.8
95.04946	13.1
95.08587	18.4
97.02876	28.5
97.06518	3.7
97.10158	3.5
99.04439	9.4
103.03957	1.4
105.03376	43.2
105.04485	1.7
105.07012	20.1
107.04962	1.3
107.08582	80.3
109.02860	10.9
109.06503	6.0
109.10126	13.5
111.04449	1.7
111.08080	3.4
115.03920	0.9
117.06978	1.2
119.04935	1.0
119.08569	13.4
121.06479	1.5
121.09261	1.5
121.10124	35.4
123.04415	4.3
123.08034	7.6
123.11703	5.0
124.07554	1.3
125.09583	1.9
127.03893	27.3
127.07569	1.3
129.06955	1.1
131.08592	2.9
133.10095	5.1
135.08064	1.4
135.11699	6.1
137.06001	0.9
137.09618	4.3
137.13249	1.3
143.08549	1.4
145.03017	1.0
145.04944	27.7
145.10106	2.0
147.04384	1.8
147.11662	7.2
149.09573	0.8
149.13232	56.9
159.11670	3.4
161.13231	4.0
163.06026	7.6
163.07268	1.0
167.14301	4.6
173.13089	0.8
177.05392	1.9
177.12718	1.7
181.04974	1.1
189.12685	3.1
207.13792	5.5
225.14813	1.0
242.08209	1.2
249.07610	2.0
253.74551	0.8
267.08655	5.8
293.21091	2.0
311.22159	1.6
325.11313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53981	0.4
53.00270	0.3
53.03934	1.9
55.01862	3.9
55.05495	3.0
57.03418	0.7
57.07061	0.5
60.85089	0.4
65.03922	0.4
66.05666	0.4
67.05489	4.6
69.03415	7.9
69.07050	6.2
71.04969	4.3
73.85505	0.4
74.07813	0.4
74.09693	0.4
79.05474	6.8
79.62887	0.4
81.03403	15.1
81.07040	12.4
83.04958	2.8
83.08583	0.5
85.02892	5.6
85.06523	4.6
86.09684	1.0
89.03894	5.2
91.05455	3.8
93.07020	15.6
95.04951	4.5
95.08591	8.2
97.02865	5.3
97.06503	5.5
99.04440	6.3
99.08110	0.5
101.06001	0.6
103.05430	0.5
105.02686	0.7
105.03371	14.9
105.07013	12.3
107.04941	1.9
107.07861	0.8
107.08577	19.3
109.02851	10.1
109.06507	6.5
109.10142	3.0
111.04414	0.6
111.08067	3.9
113.05965	1.7
117.03354	24.5
117.06999	1.1
119.04928	0.6
119.08601	4.2
120.17848	0.4
121.02852	3.2
121.06483	5.4
121.10120	11.5
123.04411	0.9
123.08070	3.6
123.11670	0.6
124.03920	2.6
125.05931	0.7
127.03896	7.1
127.07511	0.9
130.07739	0.5
131.08536	1.9
133.06447	0.8
133.10095	2.3
134.03600	1.9
134.68578	0.4
135.04382	1.7
135.07983	3.1
135.11636	6.4
137.05931	1.0
137.09575	2.0
139.07460	0.5
139.11133	2.0
143.08516	0.5
145.02826	72.4
145.10106	13.3
146.03145	0.6
147.04382	0.8
147.08023	0.9
147.11658	3.3
149.05965	9.5
149.09575	5.8
149.13252	0.5
151.07465	3.9
153.09003	0.6
159.11577	0.5
161.09595	1.0
161.13428	0.6
163.03831	0.9
163.11143	23.0
165.09105	0.7
167.10637	8.6
169.08563	24.2
173.09544	2.3
177.05428	100.0
178.05733	0.9
179.10605	0.5
181.12154	4.3
185.11732	0.7
186.05499	0.8
191.10626	9.6
207.13837	0.6
209.11705	7.3
227.12720	20.9
227.14850	0.9
249.07516	2.1
261.14819	0.6
267.08569	1.0
269.13739	1.6
275.19974	0.8
287.05466	0.6
289.14340	0.5
293.13815	0.6
293.20920	0.5
306.78607	0.4
311.22437	0.6
321.09750	0.5
335.14688	3.0
339.10828	0.7
349.26532	0.5
353.15817	8.5
354.35852	0.4
371.16937	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	508.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99395	0.4
53.03932	4.5
55.05494	2.9
56.16906	0.4
57.03424	0.9
57.07071	0.9
61.02912	0.5
67.05494	3.7
69.03123	0.5
69.03416	8.1
69.07045	3.0
71.04980	0.9
72.18543	0.5
74.73611	0.4
79.05475	8.5
80.40131	0.5
81.03396	13.2
81.07037	9.4
83.04954	0.6
83.08580	0.9
85.02892	30.6
85.06492	0.9
91.05460	7.8
92.08881	2.5
93.07012	4.9
95.04948	6.2
95.08583	4.5
95.27958	0.5
97.02865	5.4
97.06489	0.7
99.04427	2.0
105.03375	92.5
105.04495	2.5
105.07008	17.7
107.08578	6.5
109.02854	6.2
109.06480	2.9
109.10128	4.4
113.15430	0.5
113.41473	0.4
117.06966	3.5
117.18091	0.5
119.08554	22.6
120.27985	0.5
121.06493	0.5
121.10130	4.5
123.04404	9.3
123.08022	1.2
123.11688	19.6
125.05978	1.1
125.09610	0.8
127.03864	3.4
128.06230	0.6
129.06979	0.8
130.07735	4.2
131.08528	4.8
133.06470	9.7
133.10080	3.0
135.08051	0.5
135.11639	0.6
137.09557	1.0
141.06911	0.7
143.08554	3.1
145.04955	0.7
145.08966	1.0
145.10104	23.9
145.91652	0.5
146.10864	0.9
146.32051	0.5
147.08047	3.5
147.11671	35.5
149.09599	4.8
156.09325	8.3
157.10088	0.7
159.08008	2.4
159.11674	1.1
161.09589	0.8
161.13242	0.9
165.12767	0.8
167.10672	0.8
171.11676	6.1
173.09535	0.7
174.10376	2.5
189.12712	100.0
207.13768	12.1
222.62714	0.5
225.14763	2.5
225.18251	0.8
249.07466	6.9
267.08575	13.5
278.54590	0.5
349.23669	0.7
355.88831	0.5
379.29886	0.6
507.29489	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	1.2
53.03927	4.6
55.01842	1.0
55.05501	14.2
57.03414	2.1
57.07057	5.7
57.07302	0.8
58.70558	0.8
59.04985	1.9
64.33249	0.9
65.03929	0.9
66.87751	0.9
67.05489	14.8
69.03412	9.0
69.07051	38.1
70.06577	1.0
70.07385	4.2
71.04974	0.9
71.08625	1.2
73.06576	1.2
75.51366	0.8
78.22123	0.8
79.05476	14.3
81.03400	10.7
81.07034	46.5
82.07374	5.2
83.04939	2.0
83.08602	12.4
85.02887	20.7
85.06527	5.5
91.05457	12.6
92.09081	5.7
93.07021	22.0
94.07339	0.9
95.04921	7.8
95.08579	31.3
95.09191	1.2
96.08915	1.9
97.02848	6.9
97.06514	4.4
97.10137	2.1
99.04418	1.7
99.08064	3.9
105.03370	87.0
105.06998	20.0
106.03690	1.8
107.04945	1.1
107.08573	19.6
108.08890	1.5
109.02841	6.9
109.06502	3.7
109.10143	15.0
110.10464	1.8
111.08074	4.5
111.11672	7.2
117.07010	3.7
119.08559	33.1
121.06474	1.0
121.10114	13.9
123.04386	14.7
123.11678	27.4
124.12050	1.1
125.09629	1.2
127.03867	4.9
129.06961	1.6
130.07747	3.8
131.08534	8.3
133.06447	11.0
133.10107	10.7
135.11658	6.0
137.09587	1.1
137.13242	6.3
139.11154	3.6
143.08546	3.6
145.10092	26.2
146.10928	1.0
147.08012	4.2
147.11658	37.3
149.09572	2.1
149.13260	9.4
150.13593	1.1
153.12692	3.9
156.09332	8.4
159.08017	4.2
159.11697	2.1
161.13197	2.0
165.12697	1.1
171.11639	7.5
174.10347	2.1
175.63986	0.9
177.16273	1.3
187.11111	1.0
189.12700	100.0
189.16304	2.0
189.26910	0.9
190.82814	1.1
203.05357	1.2
207.13707	8.4
249.07510	6.9
267.08542	25.6
275.19824	1.2
282.26337	1.0
291.26608	2.2
297.27805	11.3
298.28116	6.7
309.27777	16.3
310.28094	7.3
327.29108	1.7
328.29117	1.3
349.23685	1.8
507.29242	12.0
508.29443	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	508.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
54.80040	1.1
55.01859	1.8
55.05504	18.0
57.03431	2.5
57.07066	10.0
59.04991	2.1
61.02901	1.1
63.73672	1.2
67.05489	21.1
68.05823	1.5
69.03413	14.5
69.07053	59.7
70.07384	2.8
71.04975	5.0
71.08617	1.8
76.87667	1.2
79.05466	20.5
80.05783	1.4
81.03411	11.3
81.07035	77.6
82.07375	7.4
82.07829	1.2
83.04946	5.1
83.08597	19.0
85.02885	22.0
85.06518	10.0
87.04470	1.3
91.05466	13.6
92.08678	2.9
92.09251	4.3
93.07027	29.2
94.07352	2.0
95.04960	9.7
95.08578	49.8
96.08916	6.7
97.02850	10.1
97.06499	6.2
97.10168	8.0
99.08064	2.4
105.03372	97.3
105.07014	29.9
105.30104	1.3
106.03712	1.5
107.08578	29.3
108.08913	2.1
109.02866	8.1
109.06508	6.2
109.10136	25.4
110.10452	1.9
111.08070	2.8
111.11716	8.6
117.07015	6.0
117.90711	1.2
119.08554	35.8
120.07159	1.3
120.08947	1.7
121.06482	1.5
121.10139	17.6
123.04412	12.5
123.08024	2.0
123.11679	51.6
124.12016	9.4
125.09631	1.6
125.13284	1.5
127.03941	6.9
129.07011	1.8
130.07805	2.6
131.08531	9.7
133.06494	10.2
133.10106	11.6
135.08044	1.8
135.11676	13.3
137.09567	2.0
137.13242	8.3
138.13554	1.6
139.11174	1.3
141.06972	1.5
143.08536	2.6
145.04900	1.4
145.10095	28.3
146.10805	2.0
147.08052	4.9
147.11659	41.9
149.09607	2.6
149.13272	11.8
153.12755	7.3
155.14261	1.9
156.09300	9.8
159.08020	6.3
159.11609	4.9
160.08763	2.0
161.13289	2.6
163.11188	1.4
163.14799	2.2
171.11674	10.6
173.15448	1.2
174.10426	5.2
189.12704	100.0
207.13751	8.4
249.07578	9.3
267.08575	29.7
291.26776	5.4
293.21060	1.5
293.24658	1.8
297.27722	8.8
298.28217	7.2
309.27823	19.3
310.28192	10.8
327.28900	5.3
328.29126	1.4
347.09018	1.3
349.23627	2.1
360.10199	1.3
507.29266	17.3
508.29617	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01242	0.2
53.03721	0.2
53.03941	3.3
55.01849	0.4
55.05492	1.3
57.03418	1.2
61.02918	0.3
61.56783	0.2
65.03937	0.2
65.96183	0.2
67.05480	0.9
69.03411	7.4
69.07029	0.4
70.06117	0.2
71.04956	0.9
73.02891	0.4
74.84071	0.2
75.02688	0.2
77.03898	0.4
79.05047	0.3
79.05473	6.3
81.03394	11.8
81.07027	1.7
83.04948	0.8
85.02886	12.8
85.06516	0.3
91.05442	0.5
92.09066	1.2
93.05611	0.2
93.07027	1.3
95.04947	5.7
95.08581	1.7
97.02863	7.7
97.06482	0.5
97.10098	0.3
98.51160	0.2
99.04423	1.9
105.03369	100.0
105.07004	1.1
107.08550	1.5
109.02136	0.3
109.02862	7.0
109.06511	2.5
109.10139	1.2
111.08080	0.4
115.03976	0.3
115.83614	0.2
117.07036	0.3
119.08557	1.3
121.10158	1.8
123.04401	16.1
123.08027	1.9
123.11678	2.2
127.03877	6.4
129.18327	0.2
131.08525	0.4
133.10115	0.4
136.79391	0.2
137.09613	3.5
137.13258	0.4
145.04936	1.2
145.10133	0.3
147.11633	1.6
149.02321	5.4
149.09631	1.0
151.07513	0.4
161.13278	0.5
163.11186	0.3
165.05466	0.2
165.12697	8.3
171.11574	0.4
174.10333	0.4
179.18050	0.3
189.12682	2.2
193.04922	4.9
193.06543	0.3
197.18951	0.4
207.13762	2.1
231.06549	0.9
236.30701	0.2
237.07582	2.6
249.07509	9.5
255.08549	0.3
267.08572	25.6
281.10257	1.5
295.05643	0.2
333.13171	0.3
385.09222	0.4
429.11618	1.3
473.14536	1.2
510.40128	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16224	0.2
52.82106	0.3
53.03936	4.1
55.01844	0.6
55.05488	1.4
57.03407	1.5
59.82849	0.3
61.02908	0.7
67.05485	1.7
69.03065	0.5
69.03410	9.1
69.07044	0.5
71.04972	1.5
75.74615	0.3
77.03915	0.3
79.05045	0.6
79.05466	7.6
81.03394	12.2
81.07021	2.9
83.04953	0.7
85.02880	11.3
85.03368	0.6
85.06508	0.5
87.04424	0.4
91.05447	1.5
92.08939	0.3
93.07005	2.0
95.04942	6.9
95.08564	2.1
97.02861	7.1
97.06509	0.6
97.10131	0.4
99.04417	2.1
105.03366	100.0
105.07014	2.6
107.08578	1.5
109.02849	7.3
109.06482	1.6
109.10126	1.8
111.08094	0.4
119.08549	2.1
121.10106	1.9
123.04402	12.5
123.08039	10.4
123.11648	0.4
125.05976	0.6
125.09574	0.4
127.03874	5.2
133.06470	0.3
133.10109	1.8
135.07979	0.5
137.09589	0.4
145.04926	0.6
145.10143	0.6
147.11682	0.4
149.09575	2.4
151.07521	0.5
161.09630	0.5
163.03908	0.5
163.11089	0.6
171.11600	0.5
185.13205	0.3
189.12720	0.5
207.13779	2.6
225.14876	1.9
231.06450	1.3
249.07501	10.7
249.09869	0.6
267.08551	21.3
302.06787	0.4
314.63214	0.3
452.80179	0.4
491.22455	0.5
507.28986	1.5
508.29282	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
54.81751	0.6
54.86834	0.6
55.01865	5.5
55.05501	0.7
57.03429	7.3
61.02911	10.2
69.03412	28.5
70.06586	1.1
71.04974	1.7
73.02896	4.6
79.05460	0.8
81.03391	11.0
83.01331	1.1
83.04965	0.9
85.02888	80.9
87.04448	1.7
91.03936	1.2
91.05465	7.1
92.08718	1.6
92.09270	1.8
93.07040	6.0
95.04965	1.5
97.02865	26.1
98.97597	1.0
99.04449	5.6
101.68415	0.8
103.03938	1.2
103.05455	8.7
105.07042	1.2
107.04935	61.8
109.02861	7.5
111.04404	0.9
115.03941	1.5
119.04899	9.7
121.02858	1.5
121.06480	48.2
127.03890	23.2
129.07033	1.1
131.04926	1.5
133.06483	6.1
137.06000	3.7
145.04962	15.6
145.06471	5.0
147.04399	8.4
147.08005	1.0
149.05959	100.0
157.06549	1.1
159.07971	1.4
161.05888	6.4
163.06015	1.9
167.07042	5.1
171.08037	1.1
173.05931	4.4
175.07539	1.1
179.07002	1.1
182.24640	0.8
199.07538	1.5
203.06993	4.2
213.09088	7.9
215.07130	1.1
245.08141	1.4
263.09073	4.6
265.10660	1.1
281.10104	17.6
284.47272	0.9
293.10117	5.9
311.11478	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	508.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
55.01859	0.6
55.93505	0.7
57.03410	2.9
61.02899	2.6
65.03873	0.6
68.05018	0.4
69.03411	9.3
70.06581	0.5
71.04969	0.9
73.02875	1.9
77.03925	0.4
79.05457	2.8
80.05025	0.5
80.06078	0.5
81.03397	6.1
82.76312	0.5
84.08115	0.6
85.02885	21.0
87.04453	1.9
91.03940	0.7
91.05445	3.3
92.09083	0.5
93.07025	6.3
94.06530	0.5
95.04943	2.0
95.08569	0.7
97.02865	8.4
98.97549	0.6
99.04411	2.5
103.05430	3.5
105.03376	7.0
105.06998	1.1
106.06518	0.6
107.04934	41.2
107.07301	0.8
108.08118	4.2
109.02869	4.8
110.09615	0.7
119.04937	4.7
120.08076	14.3
121.02820	0.8
121.06445	0.9
121.08826	2.7
122.09608	3.3
123.04340	0.7
124.07565	1.0
124.15707	0.4
126.09141	4.6
127.03892	7.5
127.19672	0.4
130.06461	3.0
131.04884	2.6
132.95760	0.6
133.02846	0.5
133.05103	0.5
134.03619	0.5
135.04378	1.9
136.07539	2.5
137.06042	0.7
138.05461	0.8
138.09116	19.5
145.02786	2.1
145.04913	3.3
147.04384	8.6
148.04707	2.2
148.07544	57.8
149.05954	5.9
150.09087	2.6
150.96835	1.0
151.03883	2.1
151.06325	0.9
160.50418	0.5
163.03864	8.4
164.04193	1.1
165.09074	7.2
166.08580	100.0
167.07001	2.4
168.09991	0.5
175.82304	0.7
177.00601	0.5
179.07014	0.8
184.09605	1.0
189.09035	1.0
190.09444	0.9
205.96512	0.7
212.98439	0.5
213.09143	4.3
223.97580	1.1
224.98180	0.7
234.96825	1.0
251.97105	1.1
252.97881	2.5
268.97400	1.9
269.97961	1.8
275.09021	0.6
293.10043	2.0
298.15579	0.5
300.14343	0.7
311.11224	7.0
328.13843	11.8
346.14786	3.8
361.87848	0.5
388.99261	0.7
408.01154	0.5
425.01321	0.6
426.02228	1.8
508.21158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83237	0.2
54.81520	0.3
54.93518	0.3
55.01858	0.3
55.05503	1.4
57.03426	0.4
57.07074	0.4
58.04409	0.2
58.67235	0.2
64.36871	0.3
67.05497	1.8
69.03418	1.7
69.07046	2.5
71.04963	0.4
78.04683	0.3
79.05470	2.2
79.22725	0.3
81.02995	0.3
81.03390	2.5
81.07033	4.2
83.04971	0.3
83.08615	0.4
83.38647	0.3
85.02883	2.3
85.06527	0.7
86.09674	0.4
89.03896	6.6
89.04401	0.5
91.05449	2.5
92.08868	0.4
93.07029	3.1
95.04936	1.3
95.08566	3.0
95.18970	0.3
97.02862	0.5
97.06525	0.7
97.10166	0.4
99.08083	0.6
103.05428	0.5
105.03387	3.0
105.07003	2.0
106.04154	0.2
107.04937	0.6
107.08578	2.8
109.02868	1.2
109.06501	0.4
109.10143	2.5
111.11693	0.4
117.03355	31.8
119.04931	1.1
119.08569	1.8
120.08094	0.4
121.06464	1.1
121.10122	2.0
123.04437	0.5
123.08045	0.4
123.11694	0.7
125.05962	0.4
127.03827	0.4
131.04874	0.3
131.08626	0.4
133.10106	1.5
134.03610	1.8
135.04398	2.2
135.11696	1.1
137.09613	0.4
143.08539	0.3
145.02824	80.6
145.10098	0.6
146.03181	0.4
147.04427	1.8
147.08006	1.4
147.11702	0.3
149.05957	12.2
149.13193	0.6
151.11163	0.5
157.10158	0.4
159.11755	0.5
161.09560	0.3
161.13223	0.4
163.03873	1.3
163.14772	0.5
177.05428	100.0
178.05734	0.3
185.13176	0.3
186.05457	0.4
195.06456	0.4
275.20044	0.5
279.37186	0.3
293.21002	0.5
311.22031	0.4
320.50702	0.3
339.10364	0.6
349.07852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01878	0.4
55.05507	1.1
57.03431	1.2
57.07078	0.3
60.36749	0.3
61.02917	0.5
62.52538	0.2
67.05495	2.4
67.69273	0.2
69.03416	7.4
69.07055	2.4
70.03732	0.5
70.06585	0.3
71.04987	1.6
72.08140	0.4
73.02896	0.4
74.09688	0.3
79.05468	2.2
81.03400	8.7
81.07033	5.0
82.03732	0.4
82.07376	0.4
83.04951	0.5
83.08573	0.5
85.02888	8.2
85.06523	3.2
86.03221	1.1
86.09697	1.1
87.04465	0.5
89.03896	4.8
91.05457	2.0
93.07024	3.3
95.04961	1.3
95.08579	3.1
97.02860	5.3
97.06519	0.5
97.10168	0.3
98.03211	0.4
99.04419	2.8
103.05457	0.5
105.03368	5.7
105.07008	3.7
106.03008	0.3
106.03722	1.3
107.04945	1.6
107.08566	2.4
109.02868	8.4
109.06502	0.6
109.10137	2.1
110.03211	1.7
111.08059	1.4
111.11739	0.3
112.07613	0.3
115.03895	0.5
117.03358	19.4
117.07011	0.4
119.08563	2.1
120.08076	1.1
121.06487	0.5
121.10126	1.8
123.04380	1.0
123.08016	0.5
123.11680	0.6
124.03935	2.1
125.09595	0.6
127.03873	4.0
128.04210	0.5
129.06952	0.4
131.08533	1.0
132.29587	0.3
133.10115	2.4
134.03629	0.6
135.04362	2.2
135.08026	0.5
135.11697	0.7
137.05934	0.3
137.09601	1.3
137.13182	0.4
145.02827	72.6
145.10106	1.4
147.04359	0.5
147.11662	1.1
149.05959	8.3
149.07077	0.5
149.09557	0.6
149.13274	0.3
159.11705	0.3
161.09563	1.5
161.13263	0.4
163.03857	1.2
163.07529	1.1
163.11084	0.7
165.09090	0.5
169.04999	0.4
177.05428	100.0
179.10674	1.2
179.14267	0.3
186.05397	0.5
189.08875	0.3
195.06522	0.5
195.10117	1.1
196.10544	0.4
205.06995	0.5
206.07603	0.3
250.07835	0.3
267.08420	0.3
291.26321	0.3
293.17334	0.4
303.04916	4.6
304.05258	3.6
309.27737	0.4
311.21945	0.6
321.09583	5.0
339.10669	7.0
481.30002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82838	0.2
51.75538	0.2
53.03937	1.1
54.59788	0.2
55.01866	0.6
55.05507	1.2
57.03434	1.2
58.46151	0.2
59.04980	0.3
67.05499	1.1
69.03057	0.4
69.03413	4.7
69.07056	1.5
70.03757	0.3
70.06526	0.3
71.04973	1.5
72.08118	0.4
73.02921	0.3
79.05473	1.5
81.03403	8.7
81.07043	3.8
82.07401	0.3
83.04947	0.9
83.08592	0.9
85.02901	5.0
85.06528	2.8
86.03226	0.2
86.09680	0.4
87.04460	0.5
89.03894	4.5
89.23974	0.3
91.05460	1.6
92.08685	0.3
92.09216	0.5
93.07010	1.9
95.04949	1.1
95.08582	2.8
97.02863	3.5
97.06554	0.3
99.04433	2.1
103.05447	0.4
103.39426	0.3
105.03384	4.5
105.07017	4.3
106.03658	0.3
107.04930	1.0
107.08584	1.7
109.02866	4.5
109.06512	0.4
109.10152	1.3
110.03198	0.5
111.08076	1.1
115.03951	0.6
117.03361	21.3
117.07009	0.4
119.04909	0.3
119.08553	1.5
121.02818	0.3
121.10107	1.5
123.04414	1.0
123.08051	0.3
123.11676	0.4
124.03931	1.6
125.09617	0.3
127.03893	1.5
131.08508	0.5
133.04889	0.4
133.10095	2.7
134.03578	1.7
135.04404	1.6
135.07968	0.8
135.11630	0.5
137.05956	0.5
137.09595	0.4
143.08551	0.3
145.02831	66.6
145.10117	1.1
147.04399	1.0
147.11716	0.4
149.05962	8.5
149.09576	0.4
149.13188	0.4
155.08452	0.3
161.09573	1.0
161.13173	0.3
162.02966	0.3
163.03845	0.8
163.11160	1.3
167.10637	0.3
173.09563	0.3
177.05440	100.0
178.05717	0.2
179.10686	1.3
179.14243	0.6
186.05501	0.5
189.09372	0.3
195.06508	1.4
197.15309	0.5
249.07602	0.6
275.20053	0.3
293.20901	0.3
303.04880	1.4
304.05197	1.5
311.21933	0.4
321.09644	4.3
339.10669	6.2
481.30362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3653
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
54.25136	0.9
54.61000	1.0
57.07050	1.5
66.72610	1.0
67.05488	2.0
67.63373	1.0
71.08615	1.9
81.07056	2.0
84.73711	1.0
85.10163	1.4
87.23588	1.0
92.09259	5.3
109.10096	2.3
167.91556	1.3
176.40144	1.3
195.09879	4.9
313.27475	1.7
507.36411	100.0
531.20697	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58652	0.7
53.00275	0.8
53.03917	1.5
55.05499	18.0
55.23108	0.7
57.03424	2.0
57.07058	16.1
59.04986	3.5
65.03909	0.8
67.05488	22.7
69.03404	5.5
69.07053	66.7
71.04967	3.0
71.08602	2.1
73.06536	1.6
79.05463	13.5
81.03381	3.4
81.07036	100.0
83.04963	1.4
83.08601	17.1
85.02893	6.3
85.06536	10.8
85.10147	0.7
91.05469	6.2
93.07018	33.0
95.04959	4.0
95.08582	57.2
97.02863	1.6
97.06496	6.1
97.10134	5.8
99.08076	1.8
105.03376	10.7
105.07016	10.4
107.08573	26.9
109.06496	1.0
109.10133	33.5
111.08081	6.9
111.11692	14.4
112.95837	0.8
113.09628	0.9
114.84251	0.9
119.08545	10.2
121.10121	14.4
123.04448	1.2
123.11678	86.7
125.09608	1.3
127.11164	1.9
132.10945	0.9
133.10118	6.9
135.11652	18.4
137.09554	1.2
137.13220	8.3
147.11633	5.3
149.13231	13.2
151.14880	1.2
153.12738	13.0
155.14253	4.3
161.13228	3.5
163.14775	3.8
168.13750	1.6
168.36809	0.8
171.13753	3.2
177.16376	1.5
239.23788	1.2
273.25781	1.7
279.26807	3.6
291.26779	9.4
297.27835	10.3
309.27820	35.2
327.28955	5.0
329.47232	0.9
353.15234	1.1
507.29382	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	507.2718
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.00315	0.7
53.03929	1.6
55.01840	0.8
55.05506	22.1
57.03177	1.0
57.03431	19.3
57.07067	2.8
58.38187	0.7
60.08146	3.1
65.03919	3.2
67.05493	71.6
69.03408	0.9
69.06709	1.2
69.07055	22.5
71.04983	1.1
73.40023	0.7
74.43429	0.6
75.04456	1.0
75.67494	0.6
79.05474	51.5
81.03394	0.9
81.07041	62.2
83.04966	1.5
83.08611	6.3
84.51104	0.6
85.06519	1.4
86.09683	8.5
91.05461	25.9
93.07024	57.6
95.04932	5.1
95.08587	43.8
95.09205	1.5
97.10128	1.2
98.98448	86.9
104.10708	10.5
105.07015	17.8
105.11130	0.7
105.87300	0.7
107.08582	24.3
109.06506	1.1
109.10144	14.8
111.08045	1.1
116.99463	2.7
117.06997	4.9
119.08555	13.4
120.08117	1.0
121.10124	19.4
123.11690	3.4
124.99984	5.5
129.08420	0.9
131.08548	10.2
133.10120	10.4
135.11699	9.4
137.13232	1.1
143.08562	1.1
145.10153	5.4
147.11705	5.7
149.13246	7.3
155.01039	18.7
155.13295	0.8
159.11658	4.2
161.13226	3.2
163.14778	1.8
173.02110	7.6
173.13280	3.1
175.14803	1.4
184.07306	9.9
189.16414	0.9
194.92416	0.7
229.04691	2.8
243.21011	4.0
247.05785	1.4
249.34897	0.8
261.22070	9.7
309.41739	0.7
317.24591	4.5
335.25745	100.0
349.58948	1.0
471.24979	6.1
506.31708	1.5
507.32233	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
52.32543	0.3
53.03750	0.3
53.03936	4.1
53.63146	0.2
54.81696	0.3
55.01857	2.0
55.05498	2.3
57.03427	2.3
57.07061	0.7
59.04988	0.5
61.02907	0.4
67.05491	5.4
68.99764	0.7
69.03069	0.6
69.03414	12.2
69.07043	3.7
71.01322	0.4
71.04964	0.8
71.13412	0.3
72.08123	0.6
77.03922	0.5
79.05476	10.0
81.03398	15.4
81.07026	6.6
83.04953	1.5
83.08620	0.7
83.09291	0.3
85.02885	11.7
85.06520	1.3
89.28573	0.3
91.05450	7.2
92.08723	0.8
92.09306	0.6
92.63950	0.4
93.07021	9.4
95.04944	10.1
95.08572	5.2
96.08876	0.3
97.02863	8.5
97.06519	0.7
97.10160	0.5
99.04451	2.7
100.26194	0.4
103.05436	2.2
105.03369	100.0
105.07005	7.1
106.03748	0.3
107.04930	0.7
107.08559	5.6
109.02853	7.6
109.06489	7.9
109.10144	7.0
111.04425	0.4
111.08072	0.6
117.06996	2.0
119.04910	0.5
119.08543	5.3
120.08072	0.6
121.06484	8.3
121.10091	2.3
122.07288	0.5
123.04399	10.1
123.08058	2.8
123.11665	1.4
125.09631	0.4
127.03891	4.4
129.07013	0.8
131.04903	1.2
131.08522	2.5
133.06493	0.6
133.10085	3.0
135.08014	3.9
135.11684	1.7
137.06007	0.6
137.09587	32.4
139.07512	0.5
142.07767	0.7
143.08537	0.5
143.12849	0.3
144.09329	0.7
145.04933	1.4
145.10129	2.7
147.04361	0.4
147.08018	1.6
147.11684	0.8
149.05946	15.6
149.09612	1.2
149.13245	1.4
151.07515	1.5
151.11076	0.4
157.10094	0.6
159.07996	0.5
159.11647	3.5
161.09583	2.0
161.13257	0.4
163.11124	1.7
175.11165	3.2
177.09113	0.4
177.12740	1.7
187.11098	0.7
193.12152	1.3
201.12303	0.8
205.12199	10.3
223.13200	5.8
231.06465	0.6
241.14352	2.0
249.07471	11.0
249.09811	0.6
267.08588	10.4
267.11389	0.3
309.27789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
52.32543	0.3
53.03750	0.3
53.03936	4.1
53.63146	0.2
54.81696	0.3
55.01857	2.0
55.05498	2.3
57.03427	2.3
57.07061	0.7
59.04988	0.5
61.02907	0.4
67.05491	5.4
68.99764	0.7
69.03069	0.6
69.03414	12.2
69.07043	3.7
71.01322	0.4
71.04964	0.8
71.13412	0.3
72.08123	0.6
77.03922	0.5
79.05476	10.0
81.03398	15.4
81.07026	6.6
83.04953	1.5
83.08620	0.7
83.09291	0.3
85.02885	11.7
85.06520	1.3
89.28573	0.3
91.05450	7.2
92.08723	0.8
92.09306	0.6
92.63950	0.4
93.07021	9.4
95.04944	10.1
95.08572	5.2
96.08876	0.3
97.02863	8.5
97.06519	0.7
97.10160	0.5
99.04451	2.7
100.26194	0.4
103.05436	2.2
105.03369	100.0
105.07005	7.1
106.03748	0.3
107.04930	0.7
107.08559	5.6
109.02853	7.6
109.06489	7.9
109.10144	7.0
111.04425	0.4
111.08072	0.6
117.06996	2.0
119.04910	0.5
119.08543	5.3
120.08072	0.6
121.06484	8.3
121.10091	2.3
122.07288	0.5
123.04399	10.1
123.08058	2.8
123.11665	1.4
125.09631	0.4
127.03891	4.4
129.07013	0.8
131.04903	1.2
131.08522	2.5
133.06493	0.6
133.10085	3.0
135.08014	3.9
135.11684	1.7
137.06007	0.6
137.09587	32.4
139.07512	0.5
142.07767	0.7
143.08537	0.5
143.12849	0.3
144.09329	0.7
145.04933	1.4
145.10129	2.7
147.04361	0.4
147.08018	1.6
147.11684	0.8
149.05946	15.6
149.09612	1.2
149.13245	1.4
151.07515	1.5
151.11076	0.4
157.10094	0.6
159.07996	0.5
159.11647	3.5
161.09583	2.0
161.13257	0.4
163.11124	1.7
175.11165	3.2
177.09113	0.4
177.12740	1.7
187.11098	0.7
193.12152	1.3
201.12303	0.8
205.12199	10.3
223.13200	5.8
231.06465	0.6
241.14352	2.0
249.07471	11.0
249.09811	0.6
267.08588	10.4
267.11389	0.3
309.27789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.2
57.03447	0.6
61.02914	0.3
63.02343	0.2
66.37129	0.2
67.05486	0.3
69.03412	2.4
70.06555	0.4
74.94746	0.2
79.05465	1.2
81.03400	3.0
82.93680	0.1
85.02890	2.6
89.03896	4.4
89.04388	0.3
91.05466	0.3
92.08695	0.3
92.09183	0.4
93.07006	0.2
95.04934	0.3
97.02848	0.9
99.04441	0.3
105.03371	0.2
107.04931	2.5
109.02859	0.9
113.62054	0.2
117.02520	0.2
117.03358	6.8
119.04901	0.7
123.04278	0.2
127.03882	0.4
135.04391	20.5
145.02835	14.2
145.03847	0.5
145.05081	0.2
147.04404	0.9
148.04703	0.3
163.03871	100.0
164.04234	0.7
165.05391	0.3
165.07663	0.2
168.78679	0.2
181.04918	1.8
181.24081	0.2
193.21642	0.2
213.09013	0.4
213.55441	0.2
234.20282	0.2
245.20619	0.2
307.08142	1.9
325.09137	3.0
403.37357	0.2
451.57629	0.2
507.20810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69001	0.6
51.02379	0.5
53.03928	3.8
55.01861	3.6
55.05519	5.0
56.61533	0.6
57.03441	5.3
57.07056	0.8
57.28660	0.5
59.04979	1.3
61.02911	6.6
64.33474	0.7
67.05493	5.4
69.03416	59.2
69.07056	9.6
70.03740	0.9
70.07362	0.9
71.04979	5.5
72.08135	1.1
79.05463	4.7
81.03397	23.7
81.07040	15.8
82.03680	0.6
82.07365	1.6
83.01315	4.3
83.04929	1.5
83.08617	2.8
85.02888	55.0
85.06522	4.4
86.03217	0.9
86.09692	0.9
87.04456	2.9
91.05439	4.3
92.41506	0.7
93.07034	10.0
95.04944	4.1
95.08596	13.8
96.08923	1.7
97.02872	53.0
97.06471	1.3
97.10148	1.0
99.04430	15.3
105.03393	10.9
105.07016	5.4
106.03703	1.4
107.04941	5.9
107.08578	9.8
108.08926	1.1
109.02865	100.0
109.06513	1.7
109.10175	7.0
111.00777	1.2
111.04433	0.9
111.08067	4.5
111.11734	1.1
115.03917	5.3
117.03411	2.3
117.07004	1.0
117.24578	0.8
119.04905	0.9
119.08539	5.7
120.08078	2.8
121.02817	4.6
121.06436	0.7
121.10126	5.3
121.22565	0.9
123.04408	1.2
123.08038	1.6
123.11695	1.8
125.09608	1.0
127.03893	51.7
131.08539	1.7
133.02766	0.7
133.04930	1.7
133.10126	3.1
134.06033	0.9
134.10521	0.8
135.08023	1.4
135.11655	3.0
136.08415	0.8
137.02319	4.2
137.13168	1.1
139.03905	7.8
145.02863	11.9
145.04910	16.0
145.10118	1.4
147.04388	2.9
147.07986	1.0
147.11678	1.4
149.05963	1.1
149.13266	2.8
153.01837	5.2
153.12750	1.0
161.09579	0.9
161.13219	1.0
163.07510	3.7
163.23537	0.8
165.01801	3.5
166.24556	0.7
169.04915	5.2
177.05455	15.0
187.05986	9.4
195.10068	5.6
196.10497	1.0
200.00697	0.8
200.74814	0.8
201.05484	2.9
205.07025	11.5
229.04904	5.4
249.07610	1.2
257.04404	3.3
267.08722	1.5
275.05658	0.7
285.03900	0.9
291.26822	1.6
303.04919	92.4
309.27744	4.2
333.55911	0.7
366.79156	0.9
445.72229	0.9
488.00787	0.7
532.21124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.113
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.30146	0.1
53.03935	1.8
55.01855	1.0
55.05501	0.6
56.69810	0.1
57.03428	1.9
61.02915	2.4
65.03910	0.3
67.05482	0.9
68.99768	0.3
69.03416	7.6
69.07053	0.4
71.01327	0.3
71.04979	1.3
72.08102	0.2
73.02899	3.3
75.56681	0.2
79.05458	1.4
81.03399	8.3
81.07027	1.5
83.01316	0.2
83.04953	0.4
85.02889	13.6
85.06490	0.2
86.09694	0.2
91.05450	1.1
93.03397	0.2
93.07030	1.3
95.04945	2.1
95.08589	1.1
97.02872	4.9
97.06516	0.2
99.04441	2.4
103.03922	0.4
105.03371	11.2
105.06993	1.4
106.03680	1.7
107.04962	0.7
107.08574	1.4
109.02862	4.5
109.06488	0.8
109.10143	1.1
111.00768	1.1
111.04442	0.2
115.03887	0.9
117.03358	0.8
119.08548	1.2
120.33015	0.1
121.02841	13.7
121.06502	0.2
121.10075	0.7
123.04389	1.6
123.08036	0.4
123.11718	0.2
127.03892	7.7
131.04892	0.2
131.08545	0.3
133.02748	0.2
133.04926	0.7
133.10110	0.9
135.04373	0.7
135.08015	0.2
135.11681	0.2
137.02313	4.6
137.03368	0.2
137.05971	0.3
137.09647	1.3
139.03870	1.6
145.02840	3.5
145.04918	2.2
145.06029	0.2
145.06538	0.3
145.10083	1.0
147.04407	0.4
147.11674	0.2
149.02370	0.4
149.05977	0.6
149.13193	0.3
151.07536	0.2
153.01811	5.9
159.11687	0.2
161.05875	0.3
161.09596	0.2
163.03886	1.4
163.07462	0.3
163.11162	0.2
164.04204	0.2
165.01790	2.9
167.07063	0.3
173.05901	0.8
174.36848	0.2
177.05414	4.7
181.04953	0.2
183.02916	1.2
183.04361	0.3
187.06017	2.4
195.02827	0.4
200.90883	0.2
201.05447	2.3
205.07050	0.9
207.02730	0.2
215.03423	0.2
219.06514	0.3
229.04893	5.9
247.05971	1.4
249.07594	1.8
250.07880	0.6
251.09131	0.7
257.04413	4.0
264.52438	0.2
265.06757	0.2
267.08533	1.7
268.08963	0.8
274.04691	0.9
281.10098	0.4
283.08041	1.6
285.03842	2.1
291.19449	0.2
303.04932	100.0
304.05212	0.8
339.10745	0.3
349.11240	0.2
408.68512	0.2
478.40601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.42
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37228	14.6
51.87807	15.4
57.07070	19.2
61.81797	17.2
74.36858	17.2
81.07055	27.3
83.65362	18.0
92.09055	100.0
114.36810	20.1
159.63733	18.8
173.09586	17.1
290.53253	19.0
437.23398	22.3
443.35095	24.9
461.36230	27.4
470.37375	20.9
521.97192	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	507.1132
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.44892	0.1
53.03722	0.2
53.03939	3.9
55.01866	1.4
57.03424	1.9
61.02914	1.7
65.20488	0.1
67.01858	0.2
67.05470	0.2
68.99772	0.9
69.03414	13.6
71.04977	1.2
71.49438	0.1
73.02894	1.8
81.03397	17.5
81.07029	0.2
83.01318	0.2
85.02887	10.8
87.04445	0.2
92.09126	0.7
93.03361	0.3
93.07024	0.2
95.04930	0.6
95.08566	0.2
97.02261	0.3
97.02869	7.9
99.04427	2.8
101.02348	0.2
103.03885	0.2
105.07015	1.0
106.07281	0.2
109.02857	9.3
109.06490	0.2
109.10116	0.3
111.00771	1.3
115.03934	0.2
117.76651	0.2
121.02841	1.3
123.04412	0.2
127.03886	7.7
133.06476	1.1
134.06851	0.2
137.02324	4.3
137.03387	0.2
137.05933	1.2
145.02910	0.2
145.04939	2.6
149.02266	0.2
153.01799	5.6
155.04807	0.2
161.05936	0.3
163.03853	0.8
163.05975	0.4
165.01781	2.7
165.09082	1.7
166.09416	0.2
173.05920	0.7
173.12988	0.2
173.92606	0.2
183.02846	0.9
183.04297	0.2
187.04179	0.3
187.05968	5.2
194.16246	0.2
195.02982	0.2
201.05420	2.2
205.05000	0.2
207.02997	0.2
219.06500	0.3
228.04074	0.2
229.04903	5.7
239.03447	0.2
247.06053	0.7
257.04416	3.6
274.04599	0.7
285.03806	1.5
303.04926	100.0
304.05264	0.8
335.50861	0.2
389.92831	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88023	1.8
52.97136	1.8
55.05494	18.7
57.03423	2.0
57.07069	4.2
61.89682	2.0
67.05499	20.6
67.43111	2.0
69.03426	2.3
69.07069	20.8
79.05475	17.1
81.07039	43.8
83.08608	11.8
83.70650	2.4
91.05446	19.0
92.09177	10.5
93.07030	59.0
95.04951	3.5
95.08586	75.0
97.10180	3.5
105.03386	4.3
105.07019	51.3
107.08577	100.0
109.06509	2.8
109.10138	39.9
111.08044	9.0
117.07021	4.6
119.08557	74.0
121.06514	2.4
121.10118	52.5
123.08026	4.1
123.11674	16.0
125.09609	36.0
129.06915	2.8
131.08525	30.2
131.77223	2.3
133.10107	64.9
135.08037	2.5
135.11659	24.9
137.09602	2.4
143.08545	11.4
145.10091	61.5
147.11679	33.3
149.02298	2.8
149.13240	16.9
151.11166	3.1
153.09023	2.7
157.10088	14.3
158.10791	2.7
159.11671	62.6
161.13223	26.6
163.14792	15.9
168.26183	2.2
171.11658	11.5
172.12442	4.2
173.13223	29.8
175.14771	32.0
177.16345	14.6
181.71213	2.1
185.13235	10.1
187.14783	51.3
189.16356	59.3
191.14227	4.0
191.17978	10.6
195.72073	2.2
197.13269	3.9
199.14803	18.0
201.16341	84.5
203.17966	11.7
205.15858	11.3
213.16359	38.0
215.17891	45.9
217.15811	4.2
217.19427	2.6
219.17355	21.8
225.16267	2.3
227.17816	8.8
229.19475	8.5
235.16917	11.1
241.19434	4.3
243.20895	2.6
247.16861	13.0
255.20886	3.4
261.18530	5.1
267.21042	3.8
269.22534	3.1
327.22879	2.7
341.24612	9.4
354.81961	2.3
389.31894	15.3
407.33020	52.0
423.32272	4.5
435.32690	32.5
453.33578	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92691	0.8
55.05500	8.1
57.07054	1.9
58.69191	0.9
62.69176	0.8
67.05491	11.3
69.03398	1.2
69.07047	12.9
71.04967	1.0
79.05469	11.2
81.03382	0.9
81.06599	1.5
81.07037	27.5
83.04959	1.7
83.08603	7.1
86.58394	1.1
91.05442	9.0
92.09013	3.9
93.07014	27.9
95.04939	4.3
95.08580	47.5
97.06499	4.1
97.10147	5.1
104.94514	0.8
105.03355	1.1
105.07005	40.8
107.08567	46.8
107.09297	1.7
109.06483	4.1
109.10135	25.7
111.08036	1.5
117.06975	1.8
119.08553	43.3
121.06467	4.1
121.10121	29.4
123.08037	1.8
123.11652	8.4
125.09605	2.2
129.06958	1.3
131.08533	22.1
133.10097	38.7
135.08063	3.2
135.11652	16.4
137.09595	2.1
137.13271	2.2
143.08516	4.4
145.10092	27.2
147.08047	1.1
147.11659	28.7
149.09607	1.9
149.13225	20.9
153.09055	1.5
157.10078	10.4
158.10820	1.4
159.06502	1.1
159.11661	20.8
161.09567	5.2
161.13228	26.6
163.11147	5.1
163.14780	24.5
167.10625	2.3
170.10847	1.1
171.11639	7.9
172.12393	1.0
173.13206	29.4
175.11148	4.1
175.14780	33.2
177.12726	3.6
177.16322	18.2
183.11601	1.3
185.13210	5.7
187.14758	30.4
189.12701	2.1
189.16335	32.2
191.14255	45.2
191.17892	6.6
193.12209	4.3
193.15817	2.1
199.14796	5.7
201.16344	15.3
203.14436	12.2
203.17914	100.0
205.15865	13.8
205.19522	5.1
207.13774	1.1
213.16423	7.6
215.17914	5.7
217.15932	4.1
217.19426	2.0
219.17464	1.0
221.15303	16.3
223.16911	1.9
227.17952	1.8
229.19469	1.3
231.17375	1.9
231.21091	4.6
235.16945	3.6
243.17413	1.1
249.18443	15.5
377.31607	1.2
389.31793	3.7
395.32990	5.6
407.33044	12.7
417.48111	0.9
425.34030	68.1
427.35385	1.0
435.32248	7.0
441.33490	1.5
443.35287	1.0
453.33548	21.6
471.34598	28.6
489.35300	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.0
55.05497	15.6
57.07043	4.2
58.04194	2.4
60.39735	1.9
67.05489	15.6
69.07054	5.9
69.23462	2.1
71.04962	5.2
79.05468	29.0
81.07033	56.7
83.08595	4.0
85.06535	16.8
91.05455	38.1
92.06277	3.3
92.09107	10.3
93.07021	100.0
95.04927	12.7
95.08575	29.7
97.06509	3.8
99.04401	4.7
105.07010	51.6
106.54765	2.2
107.08557	43.1
109.06491	15.0
109.10133	10.7
110.09653	13.5
111.08062	3.9
117.07011	4.0
119.08559	30.1
121.10148	22.6
129.07018	3.0
131.08533	12.8
132.09332	4.7
133.10112	31.7
135.11713	5.7
145.10112	5.1
147.11653	5.1
151.11127	5.4
152.05249	2.5
153.54883	2.5
159.11652	9.1
161.13261	13.7
163.14737	2.7
168.13788	5.7
175.14812	3.4
194.22121	2.4
304.26321	2.7
424.16095	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	506.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
55.28737	0.2
56.05022	0.3
56.51204	0.2
57.03411	0.3
58.06312	0.2
58.06595	0.5
60.08155	10.1
67.05491	2.4
67.49643	0.2
69.07053	1.4
71.07356	3.8
79.05472	1.6
81.07040	2.4
81.64320	0.2
83.04976	0.4
83.08601	0.4
86.09692	49.9
91.05464	0.9
92.09060	0.8
93.07045	1.8
95.08588	2.6
98.98447	5.0
102.13885	0.2
104.10735	4.6
105.06993	1.6
107.08601	1.8
108.86356	0.2
109.10145	1.4
114.37003	0.3
115.02767	0.2
119.08572	1.4
121.10093	1.8
123.11708	0.3
124.99986	37.8
133.10097	0.9
135.11687	0.3
143.00987	0.4
143.08470	0.2
145.10107	0.9
146.54564	0.2
147.11684	0.5
149.13243	0.3
157.10127	0.3
159.11650	0.2
161.13234	0.3
173.13226	0.3
175.14786	0.9
184.07312	100.0
187.14719	0.3
201.16383	0.3
205.15834	0.5
238.86191	0.2
245.15543	0.3
323.26010	0.2
335.25760	1.2
443.34872	0.9
453.33487	0.4
488.30722	0.4
506.32452	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81979	2.7
55.05516	22.2
57.03427	6.3
57.07067	12.5
61.02904	10.2
65.03905	2.6
67.05491	87.6
69.06712	2.9
69.07052	23.6
69.39587	2.2
71.04995	3.1
73.02881	4.3
76.11144	2.4
76.56683	2.5
79.05469	24.2
81.06596	5.7
81.07043	95.0
83.08606	15.6
85.02892	11.4
85.06516	8.8
91.03931	3.2
91.05458	36.7
92.09009	25.6
93.07031	39.4
95.08585	100.0
97.02867	4.2
97.06526	4.9
97.10154	3.2
99.08085	11.6
105.06996	25.8
107.08571	30.3
109.10141	40.8
111.08085	3.1
113.09623	2.7
117.07101	3.0
119.04886	2.8
119.08543	41.1
119.96165	2.7
121.10118	30.2
123.11708	17.5
131.08562	6.0
133.10094	49.3
135.11676	34.7
137.09639	3.8
137.13225	16.8
143.08484	2.8
145.10040	4.7
147.11746	19.4
149.13200	5.8
151.14827	12.6
153.12732	2.3
155.24866	3.2
159.11658	5.9
161.13239	18.8
171.11775	3.0
172.02452	3.1
175.14803	18.6
189.16357	5.7
193.15947	11.9
203.14169	3.1
205.14304	3.2
207.17442	13.8
217.19498	60.4
218.93059	2.9
231.13779	4.4
235.20531	73.6
291.15952	4.1
309.24152	17.1
327.25528	2.8
366.00830	3.1
453.32501	3.5
506.30923	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	506.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02555	1.3
53.03941	2.3
55.01868	1.9
55.05504	36.7
55.99031	1.2
57.03412	3.2
57.07063	16.5
67.05485	36.8
69.03417	9.0
69.07049	44.7
69.07403	2.1
71.04976	8.1
71.08609	2.6
73.02895	1.5
74.77427	1.3
75.93080	1.6
77.29844	1.2
79.05474	26.7
81.03395	8.8
81.07036	79.8
83.04945	2.7
83.08601	60.7
85.02893	13.2
85.06528	23.3
87.00810	2.1
87.04491	1.6
90.83981	1.4
91.05467	15.5
92.08921	6.9
93.07021	82.0
94.07319	2.2
95.04969	8.7
95.08585	83.2
96.08955	3.1
97.02866	7.7
97.06503	3.3
97.10151	15.2
99.04445	3.0
99.08068	29.3
105.03367	14.3
105.07006	30.4
106.07391	1.9
107.08572	85.8
108.08912	6.2
109.02840	2.6
109.06517	7.8
109.09385	3.0
109.10139	84.6
110.10500	2.3
111.08086	2.3
111.11707	2.2
113.09649	2.7
117.07011	3.7
119.08555	28.9
120.08868	3.3
121.02864	7.8
121.06464	2.8
121.10126	64.8
122.10420	2.7
123.08072	2.8
123.11674	44.3
127.03918	9.1
131.08537	15.9
132.08926	2.4
133.10104	16.3
135.08044	2.2
135.11668	39.8
137.09602	7.4
137.13240	5.6
139.14748	1.6
143.08569	6.2
145.04889	1.9
145.10106	17.2
146.10489	3.4
147.08066	2.3
147.11673	17.8
148.12025	3.1
149.09613	2.0
149.13235	100.0
157.10114	8.0
158.10623	1.7
159.08089	1.9
159.11638	15.2
160.12051	3.4
161.09575	2.1
161.13217	11.4
163.11185	1.7
163.14783	15.1
164.15163	1.8
170.10971	1.6
171.11647	3.7
173.13240	13.9
175.14822	9.8
177.16296	10.5
181.96469	1.6
185.13248	5.9
186.13583	2.7
187.14812	16.2
188.15219	1.6
191.14273	13.1
193.12137	1.8
199.14696	5.1
201.16380	6.3
202.16789	2.1
203.14214	3.3
203.17957	6.7
205.15865	26.3
205.19470	55.3
206.16197	11.2
211.14772	1.9
213.16428	2.1
215.17938	6.0
216.18192	1.9
217.89395	1.6
221.15352	5.8
223.20523	86.7
231.04884	1.7
239.16451	2.1
241.21436	1.9
255.21082	2.3
317.30832	1.7
387.12482	1.5
432.57617	1.8
459.34631	49.6
460.35010	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
53.50995	0.4
53.69033	0.4
55.01874	0.7
55.05511	0.7
57.03431	1.1
69.03421	6.7
70.06588	0.9
70.57311	0.4
71.04978	1.8
73.02908	1.1
73.86532	0.4
75.02380	0.4
77.03926	0.4
79.05481	4.5
81.03407	9.3
81.04515	0.9
81.07050	0.9
85.02894	6.7
85.06541	0.6
86.09688	0.6
87.04457	0.8
89.03898	0.7
91.05463	2.6
91.68808	0.4
93.07008	2.0
95.04942	10.2
95.06034	4.6
95.08619	0.8
96.95047	0.5
97.02859	4.7
97.06517	1.1
99.04444	1.9
99.33878	0.5
100.77379	0.4
105.03371	82.8
105.07011	0.9
107.04967	0.7
107.08597	0.9
109.02837	3.4
109.06493	0.8
109.10153	0.5
116.04968	2.1
117.03368	8.5
119.04927	1.8
119.08585	0.5
123.04404	4.3
123.08015	2.0
127.03900	2.9
127.04951	0.6
131.04823	0.6
131.08568	0.5
133.10124	0.9
135.04379	0.5
135.05389	0.7
136.06157	64.2
137.05902	0.8
145.02827	30.1
145.10146	0.5
147.04405	2.5
147.08043	0.5
148.06180	1.0
149.05954	2.6
151.07422	0.5
159.11700	0.6
168.06508	0.7
173.13240	0.5
176.09326	0.6
177.05426	44.3
178.05748	0.7
178.07202	5.6
178.08598	0.5
183.11200	2.3
186.07693	0.6
191.14226	0.8
192.08830	0.5
204.08772	3.3
222.09830	7.4
229.11798	1.9
240.10858	100.0
241.11177	0.7
249.07559	3.0
249.10881	0.4
254.41035	0.5
265.10672	0.6
267.08469	0.7
282.11862	1.0
302.13113	0.5
309.13239	0.8
321.09680	0.9
339.10669	2.9
355.14578	0.5
356.38028	0.5
373.15860	0.6
408.23386	0.6
416.24173	0.5
471.44778	0.5
482.44171	0.5
505.22595	0.6
506.18567	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
53.50995	0.4
53.69033	0.4
55.01874	0.7
55.05511	0.7
57.03431	1.1
69.03421	6.7
70.06588	0.9
70.57311	0.4
71.04978	1.8
73.02908	1.1
73.86532	0.4
75.02380	0.4
77.03926	0.4
79.05481	4.5
81.03407	9.3
81.04515	0.9
81.07050	0.9
85.02894	6.7
85.06541	0.6
86.09688	0.6
87.04457	0.8
89.03898	0.7
91.05463	2.6
91.68808	0.4
93.07008	2.0
95.04942	10.2
95.06034	4.6
95.08619	0.8
96.95047	0.5
97.02859	4.7
97.06517	1.1
99.04444	1.9
99.33878	0.5
100.77379	0.4
105.03371	82.8
105.07011	0.9
107.04967	0.7
107.08597	0.9
109.02837	3.4
109.06493	0.8
109.10153	0.5
116.04968	2.1
117.03368	8.5
119.04927	1.8
119.08585	0.5
123.04404	4.3
123.08015	2.0
127.03900	2.9
127.04951	0.6
131.04823	0.6
131.08568	0.5
133.10124	0.9
135.04379	0.5
135.05389	0.7
136.06157	64.2
137.05902	0.8
145.02827	30.1
145.10146	0.5
147.04405	2.5
147.08043	0.5
148.06180	1.0
149.05954	2.6
151.07422	0.5
159.11700	0.6
168.06508	0.7
173.13240	0.5
176.09326	0.6
177.05426	44.3
178.05748	0.7
178.07202	5.6
178.08598	0.5
183.11200	2.3
186.07693	0.6
191.14226	0.8
192.08830	0.5
204.08772	3.3
222.09830	7.4
229.11798	1.9
240.10858	100.0
241.11177	0.7
249.07559	3.0
249.10881	0.4
254.41035	0.5
265.10672	0.6
267.08469	0.7
282.11862	1.0
302.13113	0.5
309.13239	0.8
321.09680	0.9
339.10669	2.9
355.14578	0.5
356.38028	0.5
373.15860	0.6
408.23386	0.6
416.24173	0.5
471.44778	0.5
482.44171	0.5
505.22595	0.6
506.18567	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
55.01857	0.4
56.26715	0.1
57.03420	0.9
57.67170	0.1
61.02909	1.3
61.78563	0.1
64.55006	0.2
65.54071	0.1
69.03419	2.1
71.04972	0.3
73.02879	0.2
79.05518	0.2
81.03388	1.0
81.06231	0.1
85.02892	8.9
91.03902	0.2
91.05459	4.1
92.09152	0.2
95.04942	0.2
97.02872	2.9
99.04418	0.3
109.02863	1.0
119.04919	19.2
123.04409	0.6
127.03902	1.8
141.07062	0.2
145.04909	1.6
147.04388	100.0
148.04750	0.3
163.03755	0.2
163.05966	0.4
165.05438	25.8
180.08635	0.6
280.78503	0.2
309.09558	0.9
344.13412	0.8
505.01694	0.2
506.17099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
56.64882	0.2
56.96549	0.2
57.03389	0.2
61.02885	0.3
65.03919	0.2
69.03404	1.4
81.03396	1.1
85.02895	2.3
89.74605	0.2
91.05448	4.6
95.04908	0.2
96.48450	0.2
97.02856	0.5
98.97536	0.3
105.03318	0.4
110.27216	0.2
119.04913	19.0
127.03883	0.4
135.04390	0.4
145.02829	0.3
147.04379	100.0
148.04729	0.9
151.07523	2.2
153.05336	0.2
163.03862	2.9
165.05397	2.8
165.40744	0.2
203.06879	0.2
249.07440	0.3
259.53439	0.2
291.08594	0.9
309.09528	3.1
506.18735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01867	1.3
55.05507	9.8
57.03416	1.1
57.07059	2.8
57.85031	1.1
59.05003	1.3
59.66019	1.3
67.05494	15.9
67.21026	1.3
69.03421	8.1
69.07059	21.1
71.04967	3.2
71.08607	1.7
73.91058	1.4
74.94857	1.1
78.67978	1.1
79.05488	14.6
79.05876	2.0
81.03401	6.6
81.07037	38.6
82.07382	1.9
83.04984	1.8
83.08617	6.5
85.02890	8.8
85.06522	7.0
85.48117	1.1
87.00831	2.6
90.99197	1.2
91.05457	9.5
91.44040	1.1
92.08853	6.5
93.07024	29.2
94.07368	1.8
95.04940	7.9
95.08581	35.4
96.08924	2.2
97.02882	8.2
97.06489	5.3
97.10169	2.2
105.03381	20.0
105.07008	29.6
106.07365	1.6
107.08588	33.1
109.02866	2.4
109.06512	7.3
109.10146	27.1
110.10446	1.7
111.08080	2.4
111.11697	1.6
117.06973	2.3
119.05007	1.3
119.08556	33.9
121.10124	28.9
123.08050	7.2
123.11700	7.2
125.09588	2.5
127.03883	5.0
131.08517	18.7
133.10112	22.2
134.10420	1.7
135.08038	2.8
135.11638	11.5
136.11984	1.8
137.09613	6.1
137.13242	1.8
140.71088	1.4
143.08559	5.9
144.09160	1.4
145.04965	1.5
145.10104	18.7
147.08014	2.7
147.11668	13.8
149.05859	1.6
149.09628	1.9
149.13260	12.4
157.10112	7.6
159.11639	18.5
161.09566	2.3
161.13229	8.6
163.11189	3.0
163.14851	9.6
165.09084	1.8
165.12737	1.5
170.10915	1.8
171.11681	1.9
173.13206	11.6
175.11250	2.0
175.14827	12.0
177.12663	1.4
177.16385	7.6
185.13264	7.2
187.11113	1.5
187.14754	16.4
189.16322	1.9
191.14264	8.2
199.14803	2.9
201.16417	9.0
203.14247	12.3
203.17963	3.2
204.18254	2.8
205.15845	35.3
205.19487	1.2
213.16301	2.1
215.17924	7.7
219.17464	2.2
221.15308	9.4
223.20569	2.5
239.16464	7.1
255.21031	3.3
267.08752	2.0
269.22455	2.2
307.26306	2.1
441.33731	2.2
459.34604	100.0
460.34964	1.8
505.28021	6.7
527.36383	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3525
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.03931	2.5
55.05508	12.2
57.07074	5.2
58.19106	2.3
64.44238	2.9
65.70261	2.3
67.05486	15.2
68.61589	3.0
69.07050	17.9
79.05481	10.7
81.07041	36.0
83.04959	11.8
83.08610	3.2
85.85099	2.5
91.05484	20.9
92.08881	3.2
92.64467	2.7
93.07009	31.2
95.04945	4.2
95.08585	49.5
98.35863	2.7
105.07008	47.3
107.08585	62.8
109.06490	6.3
109.10152	25.3
109.89751	2.6
112.86588	2.9
117.07042	9.5
119.08559	61.1
121.06477	5.3
121.10135	31.3
123.08063	5.9
123.11685	5.0
125.09598	4.8
131.08539	28.7
133.10107	34.1
134.10457	3.1
135.08026	5.0
135.11635	12.5
137.05980	5.8
137.09621	4.1
138.06265	2.7
143.08578	11.4
145.10094	37.5
147.11722	28.5
149.09578	4.5
149.13275	11.4
157.10115	9.8
159.11699	28.0
161.13188	19.5
163.11314	3.5
163.14807	28.5
171.11659	5.8
173.13274	20.1
175.14786	28.4
177.16350	19.0
183.11681	4.1
185.13171	4.2
187.14740	20.1
189.16350	5.3
191.14296	15.7
197.13359	3.1
199.14787	11.7
200.23766	5.9
201.16367	29.7
203.14287	14.0
203.17902	4.1
205.15868	22.0
213.16351	4.1
215.14255	3.6
217.15744	3.9
221.15337	5.2
223.16882	3.0
229.15961	2.7
247.16966	5.4
363.25241	6.5
405.31744	5.9
423.32422	13.0
441.33435	3.3
451.31754	4.6
459.34653	100.0
469.33051	28.1
505.27841	5.5
505.35471	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	505.3518
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
51.99982	1.7
54.97834	1.8
55.05492	14.6
55.85975	1.8
56.65245	1.9
57.07055	2.3
62.17443	2.1
63.99667	2.2
65.21130	2.0
67.05502	20.6
69.03419	4.0
69.07057	18.2
70.14809	2.2
71.39136	2.0
76.56712	2.4
79.05458	22.3
79.35127	2.0
81.07038	52.3
83.04946	3.9
83.08607	5.6
91.05473	19.4
91.63139	2.1
92.09023	14.2
93.07018	44.9
95.04949	5.3
95.08583	100.0
97.02866	2.9
97.06512	3.6
97.10150	4.0
105.03386	37.9
105.07007	49.4
107.08576	84.9
109.06505	11.9
109.10140	51.0
109.71469	2.6
117.07021	5.4
119.08554	84.1
121.06522	16.6
121.10112	54.8
123.08078	4.3
123.11677	12.0
131.08533	24.4
133.10109	59.3
135.08049	16.5
135.11658	29.1
143.08565	17.3
145.06480	4.3
145.10097	51.3
145.59624	2.5
147.08018	14.5
147.11674	43.2
149.09554	4.4
149.13229	29.9
151.11159	4.1
153.09116	4.1
155.08498	2.9
156.09314	10.9
157.10100	26.8
159.08052	16.4
159.11671	36.0
161.09616	22.2
161.13205	29.4
163.11145	4.8
163.14816	24.5
169.10121	10.0
170.10857	5.4
171.11638	25.5
173.09621	9.5
173.13177	28.9
175.11145	15.0
175.14809	28.5
177.12807	3.3
177.16348	26.1
179.21199	2.6
183.11740	3.9
185.13216	29.3
187.11148	3.2
187.14812	31.5
189.12680	17.2
189.16309	37.7
191.14346	3.9
191.17882	10.8
193.12224	2.2
197.13234	17.5
199.14819	15.2
201.12718	5.2
201.16319	14.2
203.14272	36.6
203.17902	32.4
205.15703	2.7
207.13869	2.4
211.14726	3.8
213.16339	5.1
215.14284	38.0
215.17854	4.3
217.15787	3.6
217.19611	8.7
219.13728	4.3
221.15298	9.2
227.14473	3.6
227.17818	2.5
229.15956	4.1
229.19312	4.0
233.15344	4.3
235.16948	3.1
247.16791	5.1
249.07552	3.6
249.18472	3.3
272.53491	2.5
387.30194	4.4
390.60693	2.8
393.31494	14.3
405.31290	15.2
421.30899	24.4
423.32449	35.0
433.30951	4.4
439.32169	16.1
441.33698	37.7
451.31982	12.2
459.34866	22.6
465.40921	2.5
469.33133	20.4
487.33829	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	505.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93430	1.4
54.81441	1.8
55.05503	4.1
57.03431	2.1
57.07073	4.1
67.05493	7.4
69.03445	1.8
69.07058	4.0
70.63948	1.8
79.05489	8.1
81.03378	2.1
81.07039	7.8
82.07387	1.9
85.02895	2.7
86.53095	1.5
87.87457	1.7
91.05470	4.2
92.09091	12.0
93.07030	10.5
95.08595	10.0
105.07031	9.5
107.08604	10.1
109.10162	4.0
111.08081	2.2
119.08607	14.9
119.09364	1.9
121.10138	11.1
131.08527	2.8
133.10106	8.0
135.11694	4.3
137.05989	13.0
138.06313	2.6
145.10115	7.2
151.61008	1.8
157.10133	2.5
159.11633	3.3
161.13319	2.4
171.11601	2.6
172.33669	1.8
173.13306	2.3
175.14917	2.4
183.11732	1.9
187.14854	2.2
198.18488	2.2
199.18767	1.9
200.23703	19.6
201.16528	2.5
210.57655	1.8
218.15862	2.0
221.11484	2.8
307.15250	3.7
461.11621	2.1
505.27646	100.0
506.28085	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	505.3516
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
55.05502	15.0
59.65242	1.7
61.38821	1.7
64.09483	2.0
64.86274	1.8
65.56096	1.9
67.05489	32.1
69.03419	4.0
69.07065	16.6
79.05463	24.2
81.07038	53.8
83.08590	3.4
85.06497	2.6
91.05447	19.0
92.08794	18.1
92.09402	4.8
93.07027	59.5
95.04949	5.1
95.08583	84.5
97.06503	2.6
97.10125	2.2
105.03376	2.8
105.06351	3.9
105.07015	65.3
107.08573	73.1
109.06524	5.1
109.10146	47.9
111.08047	3.0
117.07010	9.5
119.08560	93.4
119.09393	4.1
121.06484	4.6
121.10114	58.1
123.08061	12.7
123.11698	9.1
128.06169	3.2
129.07013	9.4
131.08553	38.3
133.10104	64.2
135.08043	9.8
135.11639	29.6
137.13181	2.4
142.07779	3.9
143.08562	24.4
145.10109	48.6
147.08067	9.6
147.11668	40.2
149.09634	4.4
149.13246	25.7
153.09106	8.7
155.08513	2.4
156.09305	4.6
157.10104	27.4
158.10892	3.4
159.11646	44.0
161.09592	14.3
161.13199	26.6
161.14209	2.0
163.11143	2.3
163.14796	28.3
169.10161	5.0
170.10886	3.2
171.11652	15.4
173.09633	4.1
173.13239	37.0
173.14594	3.2
175.11174	9.0
175.14775	30.2
177.12732	3.7
177.16322	30.5
183.11655	3.3
185.13217	22.3
187.11176	2.6
187.14778	45.2
189.12697	9.5
189.16338	44.8
191.14310	4.9
191.17891	8.4
197.13232	11.5
199.14777	24.2
199.66997	2.5
201.16307	27.7
203.14317	12.5
203.17934	39.3
205.15851	3.9
211.14783	2.2
213.16344	13.5
215.14262	12.8
215.17871	17.4
217.15836	18.5
217.19505	8.3
221.15402	3.5
225.16385	2.7
229.15793	3.0
229.19418	4.1
233.15245	2.5
235.16853	4.6
247.16934	8.4
249.18594	2.5
267.20792	3.4
387.30206	3.2
393.31256	4.7
405.31522	16.1
421.30917	10.6
423.32358	23.9
433.31104	5.2
439.31995	100.0
441.33691	29.6
451.31931	16.9
459.34491	14.6
469.32965	45.6
487.34070	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	0.5
64.24090	0.3
69.03416	0.5
70.06571	0.3
73.32562	0.3
74.02419	0.6
81.03345	0.4
83.00134	0.3
85.02870	0.7
86.09673	0.7
88.19456	0.4
91.05447	1.5
92.08974	2.0
98.97549	2.6
101.05997	0.4
109.10186	0.3
110.07111	0.4
115.05477	1.4
116.98589	1.8
117.05678	0.5
117.07006	1.7
118.06513	26.7
119.04920	0.4
121.96550	0.3
124.11777	0.3
130.06487	3.1
131.00096	0.4
132.08061	9.1
142.06476	2.6
143.07292	2.9
144.04399	0.4
144.06923	0.5
144.08064	18.7
146.05983	89.4
147.04372	1.7
159.09142	11.9
160.07542	2.0
163.03856	1.4
170.05962	7.2
177.00655	0.5
188.07030	100.0
189.07454	0.5
205.09686	26.3
237.02699	0.6
239.09422	0.5
445.17136	1.9
459.42801	0.4
504.49823	0.4
505.16843	1.9
524.23969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	13.1
56.05022	0.4
57.05803	1.2
57.07081	0.3
62.32111	0.3
67.05492	0.5
69.03407	0.6
70.06582	3.4
72.08140	100.0
77.18961	0.3
84.08130	19.5
85.08912	0.6
86.06055	9.1
86.09691	1.3
91.05492	1.4
92.08671	0.4
92.09177	0.7
95.04982	2.3
97.02855	0.3
97.06473	0.4
99.09198	1.5
107.04960	0.5
112.07571	2.8
114.05515	6.4
119.04942	3.3
123.04425	0.7
124.46943	0.3
127.08671	1.5
131.04967	0.4
132.08073	0.6
134.05919	0.3
135.67178	0.3
136.07559	3.7
138.09117	0.6
138.12799	1.3
141.10237	0.4
145.06544	0.4
146.06055	0.5
147.04384	2.2
155.11871	0.4
157.10114	0.4
159.06845	0.4
160.07581	3.9
161.09645	1.5
163.55330	0.3
165.05466	2.0
166.12233	2.4
169.13393	0.5
171.04361	0.5
173.09677	0.3
174.12781	1.2
177.09123	0.6
182.08121	2.2
183.11237	3.1
183.14824	2.3
185.09656	1.7
187.11185	0.4
188.10655	0.4
189.05464	0.7
189.09062	24.2
197.12881	1.2
202.12241	26.7
206.08005	0.4
211.14359	2.2
212.10724	0.6
213.09149	2.4
219.14952	0.5
220.13239	0.6
225.12299	10.6
229.13354	0.6
230.11707	2.2
231.10117	19.0
233.09232	0.6
247.14507	0.6
248.12772	20.5
256.17029	0.3
258.11246	1.4
265.15399	5.2
275.13904	3.4
276.12375	2.3
281.14969	5.6
293.15009	3.6
296.19656	3.3
301.19171	0.3
323.12506	0.4
324.19144	5.0
347.19550	6.1
364.22101	2.9
374.20712	0.6
375.19266	1.3
392.21707	13.6
392.26816	0.5
406.19666	2.9
466.24908	0.3
477.27008	1.6
483.01801	0.4
487.25967	0.4
505.26498	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	505.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
56.96548	0.4
57.03416	3.1
58.99836	0.6
61.02901	2.1
69.03414	7.2
70.06546	0.6
70.99823	0.5
71.04949	0.8
72.08122	1.2
72.70839	0.5
73.02891	3.0
73.07872	0.5
77.00896	2.0
81.03384	2.0
82.99833	0.8
84.04497	0.7
84.08152	0.5
85.02885	16.7
86.03214	0.5
86.09700	0.9
87.04456	0.6
92.09184	1.2
95.01945	0.9
97.02860	5.8
98.97549	2.5
99.04440	1.0
101.00850	15.5
103.03157	0.5
103.21219	0.4
108.38165	0.4
109.02903	0.8
115.02408	2.6
115.06911	0.5
116.07080	0.8
116.44463	0.5
117.03889	0.6
119.01890	52.2
121.01630	1.1
127.02411	2.2
127.03883	6.6
131.01874	2.5
133.03403	4.7
137.02904	6.9
137.68060	0.5
139.02377	4.3
143.01891	12.5
145.01685	0.6
145.03442	20.3
145.04900	3.9
148.04761	2.0
151.04486	0.8
157.03438	60.2
158.03557	0.7
159.03197	1.9
161.02914	16.1
163.04457	5.8
169.03384	0.8
171.04974	0.9
173.02950	0.9
175.04477	30.4
177.04164	0.6
181.05513	4.6
184.05876	0.9
185.02972	0.8
187.04460	2.0
191.89066	0.5
201.02504	0.5
201.04985	0.5
205.05527	17.4
206.05728	0.5
219.03505	0.7
221.04956	0.6
223.06590	92.6
224.06912	2.4
225.06412	3.2
233.05049	0.6
239.04297	1.1
241.07634	34.3
242.08023	0.7
245.04988	3.4
246.08124	0.5
265.07632	15.2
266.07785	1.2
267.07425	2.0
274.08966	0.8
274.59225	0.6
277.07486	1.9
279.09210	8.7
305.07187	5.2
323.08136	50.3
324.08463	1.1
325.08038	0.9
343.08765	0.7
347.24203	0.6
357.12778	0.6
387.13379	100.0
388.13666	1.0
389.13455	0.7
471.80161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	13.6
57.03429	4.4
64.39910	3.2
67.05493	34.5
69.07054	29.5
74.53249	3.1
79.05471	17.1
81.07040	60.4
83.04977	4.2
83.08608	20.7
91.05471	30.8
92.09119	25.1
93.07035	50.8
95.04981	6.1
95.08584	82.3
96.08916	3.8
105.03369	5.3
105.07010	57.7
107.08573	76.5
109.06520	7.0
109.10142	51.9
112.32330	3.4
117.06967	6.6
119.08574	100.0
121.06422	5.4
121.10133	52.6
123.08057	6.5
123.11703	14.5
131.08545	35.0
131.15314	3.4
133.10106	58.3
135.07982	4.6
135.11647	31.9
136.12057	4.4
142.07663	4.0
143.08522	23.9
145.10123	64.9
147.07964	5.1
147.11674	36.9
149.09618	5.9
149.13225	22.9
155.08606	4.0
156.09331	5.4
157.10104	41.1
159.11652	52.0
161.09581	14.2
161.13249	22.3
163.11183	6.1
163.14777	26.8
165.08986	3.7
169.10109	16.0
170.10863	5.2
171.11658	28.9
172.12349	5.0
173.13254	44.4
175.11105	5.5
175.14777	45.6
177.12669	8.2
177.16360	27.4
183.11739	7.8
185.13228	25.7
187.11127	4.5
187.14783	76.8
189.12732	7.0
189.16342	89.3
191.14313	6.6
191.17918	18.0
195.13855	4.9
197.13165	6.8
199.14766	38.9
201.12701	5.4
201.16385	58.7
203.14317	16.0
203.17934	21.9
205.15880	18.2
209.13197	6.2
211.14816	4.4
213.16374	16.5
215.14368	7.1
215.17851	13.4
217.15819	25.6
217.19377	3.7
221.15335	5.2
224.47154	3.5
225.16325	4.6
227.17921	6.2
229.15991	4.0
229.19524	6.1
231.17303	5.1
235.16968	16.4
247.16858	8.3
332.26584	5.9
377.31934	3.5
387.30139	5.7
393.31488	6.2
405.31360	19.3
421.31058	7.5
423.32327	28.8
433.30832	28.1
439.32166	7.6
441.33466	21.9
451.32120	46.1
457.33069	5.2
458.33658	6.5
469.33047	63.4
487.34164	50.4
532.71698	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	504.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01849	3.5
55.05494	21.2
57.07060	7.5
58.73887	2.6
60.35969	3.0
67.05155	3.8
67.05495	71.3
69.03391	2.8
69.07043	28.1
71.04977	4.7
71.08588	3.0
73.02891	2.7
79.05477	54.7
79.16102	3.0
81.07037	84.5
83.04956	19.4
83.08596	16.6
86.09698	5.8
91.05474	36.1
92.08864	6.0
93.07025	82.2
94.07355	3.2
95.04939	5.9
95.08578	74.6
97.06503	5.1
99.08016	4.4
101.03163	2.9
101.03944	2.5
104.10715	17.6
105.07011	59.3
107.08571	100.0
109.06512	12.3
109.10142	56.4
111.04433	3.5
111.08057	5.4
113.00755	2.8
113.09608	2.8
117.07002	18.0
119.08565	75.9
121.06490	4.1
121.10126	60.7
123.08041	6.5
123.11678	20.2
124.99889	3.2
128.36909	2.8
129.07002	4.0
131.08578	32.7
133.10091	58.3
135.08035	6.0
135.11659	48.1
137.13200	4.6
143.08530	7.3
145.10106	51.6
147.11646	34.5
149.09595	6.3
149.13231	21.8
157.10139	11.5
159.11671	39.6
161.13254	13.4
161.25269	2.9
163.11131	4.7
163.14774	13.0
171.11581	5.1
173.13206	22.9
175.11172	3.8
175.14809	22.3
177.16302	13.8
179.14095	4.4
184.07344	21.0
185.13222	6.2
187.14804	29.7
189.16376	17.3
191.10657	3.3
191.14265	3.8
197.13152	3.3
201.16290	6.8
203.17896	4.5
205.15836	12.9
213.16351	6.1
215.17902	42.3
217.15770	5.3
225.16357	3.3
227.17892	3.7
229.14207	3.7
233.18938	37.4
251.16394	15.7
283.84192	3.4
307.22565	15.1
325.23563	5.3
405.31442	5.4
423.32605	6.3
433.30884	4.1
441.33511	17.3
451.31973	22.7
457.33224	3.8
458.33032	13.6
469.27383	6.2
469.33777	8.7
487.33972	15.4
504.30878	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	504.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
56.05005	0.4
58.06601	0.5
60.08151	8.3
66.93299	0.3
67.05483	1.5
69.07040	0.6
71.07372	3.3
72.08120	1.1
74.27270	0.3
76.38375	0.3
79.05459	1.7
81.07031	2.3
84.02198	0.3
86.09692	46.4
89.43337	0.2
90.50472	0.3
91.05450	1.1
92.08942	0.6
93.07005	1.9
95.04906	0.3
95.08593	2.1
98.98450	2.8
104.10732	4.0
105.06971	1.1
107.08569	1.8
109.10120	1.3
117.07022	0.4
119.08570	1.3
121.10136	1.3
123.11656	0.3
124.99983	36.9
129.07022	0.4
131.08575	0.6
133.10123	0.5
135.11646	0.6
143.08559	0.4
145.10103	1.4
147.11700	0.4
153.09990	0.3
157.10112	0.5
159.11734	0.4
161.09531	0.3
173.13237	0.3
175.14775	0.4
183.11478	0.3
184.07312	100.0
190.15620	0.3
191.17981	0.3
201.16426	0.3
221.06927	0.3
221.15414	0.3
239.89449	0.3
248.33652	0.3
252.98506	0.3
265.15573	0.4
486.30112	0.6
487.33646	0.6
504.30655	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	504.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	15.3
54.81707	1.4
55.01857	10.5
55.05503	20.1
57.03412	9.4
57.07050	1.8
61.02901	8.1
62.86415	1.7
67.05485	40.5
68.99774	2.2
69.03411	41.4
69.03767	3.4
69.07056	19.2
71.04974	10.4
72.53776	1.8
73.02887	10.6
76.13180	1.9
76.76289	1.5
79.05475	30.9
81.03397	49.1
81.07036	100.0
83.04965	2.8
83.08597	6.9
85.02355	2.4
85.02880	74.3
85.06533	1.9
87.00802	35.3
91.03929	2.2
91.05462	31.9
93.07022	73.8
95.04948	11.0
95.08579	81.1
97.02866	37.9
97.06515	9.6
97.10140	2.3
99.04417	10.8
102.45570	1.9
105.01825	19.5
105.03384	6.1
105.07008	94.2
107.07861	3.8
107.08572	91.7
109.02859	31.0
109.06490	3.7
109.10134	64.8
111.08041	2.9
117.01838	4.1
117.73311	1.7
119.08550	67.9
121.10101	35.4
123.11700	16.0
125.09577	4.0
127.03896	37.0
129.01715	1.6
129.06915	1.8
131.08545	3.4
133.10092	41.2
135.11668	24.8
145.04944	13.0
145.10088	9.6
147.11653	62.4
149.09564	1.8
149.13232	2.8
150.13446	1.8
151.11049	2.2
157.10133	2.0
159.02861	17.9
159.11678	8.2
161.09526	1.8
161.13217	11.3
163.14784	7.4
165.12660	3.3
175.14798	11.3
177.16321	4.1
203.17909	74.1
221.18961	7.0
231.04901	6.6
301.06985	11.2
471.78827	1.8
504.24814	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	504.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18350	0.4
53.03930	2.9
55.01857	2.7
55.05505	9.6
57.03428	5.8
57.07065	17.7
59.04993	0.7
61.02913	9.6
63.04479	0.5
69.03415	20.2
71.04983	2.5
73.02902	3.8
81.03394	9.6
81.06993	0.6
83.04996	0.7
83.08617	4.5
85.02889	92.3
86.09689	2.6
87.04447	1.1
89.06011	44.7
91.03409	0.5
91.03937	4.3
92.08665	1.9
92.09267	1.2
93.07023	1.1
95.04955	0.8
97.02870	29.8
99.04444	4.6
99.56934	0.5
101.02339	0.6
101.09639	16.8
105.03366	0.8
107.07056	32.0
107.08594	0.7
109.02856	9.0
115.03932	1.3
126.40848	0.6
127.03891	17.9
127.74005	0.6
131.04883	0.8
137.05952	1.3
145.02824	0.8
145.04929	17.4
145.06076	0.7
155.11775	0.8
163.06012	5.9
163.13257	100.0
177.05467	0.9
191.07013	2.3
218.84750	0.5
227.65065	0.6
244.96129	0.5
325.11084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.3
53.03931	1.6
55.01856	0.8
55.05492	3.5
57.03422	3.5
57.07058	3.8
57.13554	0.6
58.57654	0.6
59.04993	1.2
61.02906	4.0
67.05491	9.5
69.03080	0.7
69.03420	18.0
69.07056	39.8
69.70549	0.7
71.04974	10.5
71.08610	0.7
71.13103	0.7
73.02925	0.8
75.55981	0.6
79.05470	8.7
81.03400	7.3
81.07039	100.0
83.04930	0.8
83.08614	1.1
85.02892	44.2
85.06533	0.8
87.00806	16.7
91.05468	5.6
92.08788	4.5
92.09393	1.5
93.07034	10.7
95.04907	1.3
95.08587	60.7
96.08952	0.8
97.02874	14.7
97.06509	1.2
99.04414	4.6
105.01852	31.6
105.03371	4.4
105.07015	10.1
107.08577	8.0
109.02864	7.4
109.06473	1.1
109.10147	14.1
117.07003	0.9
119.08585	9.5
120.08919	1.1
121.10135	6.1
123.08009	0.8
123.11703	3.1
127.03900	21.4
131.08549	1.7
133.10123	5.7
135.11679	2.6
143.08522	1.6
145.04932	8.3
145.10075	3.9
147.04289	0.8
147.11668	6.2
149.09662	0.9
149.13278	1.2
151.14786	10.3
157.10065	0.7
159.02876	1.5
159.11690	4.6
161.13274	1.6
163.11127	0.7
163.14839	0.9
171.11610	1.1
173.13196	1.4
175.11113	0.7
175.14766	1.4
182.07188	1.0
201.16362	1.5
203.17894	3.8
221.15343	0.7
231.04930	6.1
249.05942	12.4
271.24170	0.8
298.12167	4.9
308.78857	0.8
311.81641	0.7
454.95627	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.7
53.65797	2.4
53.83849	2.1
55.05505	51.7
55.89627	2.3
57.07071	28.8
60.97252	2.7
67.05494	31.5
69.07055	46.9
71.08617	22.0
78.47659	2.8
79.05472	20.6
81.03402	70.4
81.07039	59.4
83.04967	73.9
83.08604	38.6
85.10168	5.7
89.06016	32.8
91.05455	46.3
92.08735	4.9
92.09219	3.4
93.07025	70.3
95.04940	28.8
95.08591	78.9
97.10144	17.4
98.18037	2.9
99.39082	2.7
105.07018	77.2
107.04933	4.1
107.08587	92.8
109.06479	5.4
109.10136	37.7
111.11697	3.2
112.45284	3.2
117.07013	6.1
119.08558	100.0
121.06496	18.3
121.10139	41.5
122.06871	3.1
123.08070	6.0
123.11681	16.7
124.55312	3.2
125.09606	13.5
129.07022	12.2
131.08559	40.2
133.08556	4.7
133.10104	73.0
135.08054	4.1
135.11687	21.0
137.09607	3.6
142.07811	3.6
142.14651	2.8
143.08549	13.0
145.10100	50.8
147.11682	45.4
149.13203	11.1
152.81262	2.9
155.08562	3.6
157.10114	5.8
157.43761	2.6
159.11661	35.6
161.13214	34.7
163.14783	15.1
166.08110	2.9
169.10136	2.8
171.11685	11.0
173.13191	27.8
175.11115	3.8
175.14751	27.0
177.09137	3.7
177.16383	14.9
185.13202	4.2
187.14792	40.6
189.16356	80.6
189.17946	4.7
191.17892	3.6
193.12175	10.8
197.13245	4.2
199.14809	17.7
201.16383	78.1
203.17928	11.8
205.15840	3.3
213.16461	20.6
215.17926	43.3
217.15945	15.2
219.17471	4.9
229.19739	3.4
231.17290	3.7
241.19557	4.7
249.18462	4.9
261.18237	3.9
267.21170	3.1
311.27271	3.7
349.28497	3.6
359.20743	6.8
389.31918	15.3
396.87317	3.1
407.33020	36.2
436.62454	2.9
449.33981	13.4
467.35187	46.9
477.97394	3.2
486.34720	6.8
503.30020	3.8
503.37228	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	503.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.4
55.01864	2.6
55.05505	59.0
55.50500	1.2
57.03424	1.9
57.07068	16.5
60.39559	1.2
62.61117	1.5
63.50796	1.1
67.05492	28.1
67.10439	1.2
69.03413	2.3
69.07054	51.5
71.08614	15.3
79.05466	19.0
81.03395	100.0
81.07037	34.2
83.04960	36.5
83.08602	41.9
85.10168	5.5
86.56896	1.4
89.06020	6.9
91.05466	29.5
92.08861	3.8
93.07020	35.7
93.07565	2.1
95.04942	25.0
95.08582	42.0
97.10146	20.3
105.06339	3.0
105.07012	40.2
107.04957	6.7
107.08576	40.8
109.06531	8.0
109.10140	15.3
111.08090	8.3
111.11691	2.8
117.06956	4.6
119.08547	63.7
119.09386	2.3
121.06506	6.5
121.10134	28.8
123.08080	5.7
123.11676	3.3
125.09650	7.3
129.06950	10.6
131.08537	21.5
133.06505	5.9
133.10124	30.2
134.07333	2.2
135.08023	6.9
135.11699	9.1
137.09593	2.2
142.07735	1.8
143.08586	6.8
145.10097	29.3
147.08031	6.0
147.11685	19.6
149.09587	5.8
149.13277	2.6
151.07442	1.5
157.10103	17.2
159.08032	1.8
159.11655	27.0
161.09689	1.7
161.13211	11.4
163.14818	3.4
165.03662	2.6
165.09129	1.8
171.11664	7.0
173.13293	9.2
175.11211	6.3
175.14807	10.0
177.12788	1.5
177.16438	2.3
179.05197	1.8
183.11795	1.4
183.64175	1.5
185.13309	2.7
187.14740	13.3
189.16324	21.8
191.10695	9.0
191.18016	1.6
193.12244	14.3
198.35028	1.7
199.14760	2.0
201.16350	24.9
203.17973	7.2
213.16362	2.2
215.17921	24.3
217.15976	2.5
232.43776	1.4
249.14813	3.4
249.18486	5.3
253.19467	1.8
261.18497	8.9
275.19995	2.8
295.17395	6.0
325.29001	2.8
349.28729	1.9
360.21191	1.8
389.32068	6.9
407.32895	17.9
409.30362	1.5
449.34161	3.5
453.61511	1.7
467.34964	15.6
485.34341	1.7
503.37338	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42487	1.0
54.81720	1.2
55.05268	1.5
55.05499	9.0
56.45268	1.0
57.07050	2.0
64.33338	1.1
66.63682	1.3
67.05482	8.2
68.12318	1.0
69.07056	11.3
70.92905	1.0
72.91546	1.0
75.17202	1.0
76.56107	1.0
79.05475	9.9
81.03397	1.2
81.07037	21.9
81.80595	1.1
83.08598	2.2
91.05454	11.5
92.09140	4.2
93.07025	23.1
95.04970	1.3
95.07999	2.4
95.08578	38.2
97.10153	2.8
105.07004	29.0
107.08570	34.3
108.18842	1.1
109.06477	1.7
109.10136	18.5
117.06982	2.3
119.08559	43.2
121.06474	2.7
121.10123	23.7
123.11678	5.7
131.08549	19.7
133.10100	40.6
135.11696	8.6
143.08536	5.1
145.10091	14.5
147.11668	28.7
149.09622	2.4
149.13242	11.7
151.11115	1.5
157.10062	4.7
159.11633	10.9
161.09573	2.5
161.13199	17.3
163.14757	18.9
171.11699	3.7
173.13210	24.4
175.14807	18.2
177.16341	12.4
177.72052	1.2
185.13176	4.4
187.14769	17.0
189.16333	17.2
191.14262	28.8
199.14755	2.6
201.16371	5.9
203.14268	8.2
203.17918	100.0
205.15866	6.7
213.16331	2.7
215.17867	2.1
221.15334	13.7
229.19437	2.1
231.20967	1.9
263.19986	9.1
337.77026	1.2
389.32013	2.3
395.32925	1.7
407.32831	5.9
425.34036	40.4
443.35208	2.2
449.33868	1.3
485.36258	2.6
503.37390	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81226	0.7
55.05495	7.9
57.07059	1.4
65.31641	0.6
67.05494	11.7
69.07050	12.9
75.94968	0.7
79.05469	14.7
81.03379	0.8
81.06605	0.9
81.07037	26.4
83.04964	1.2
83.08618	5.9
83.12480	0.5
91.05457	12.2
92.09122	2.7
93.07025	25.7
95.04961	3.5
95.08584	66.7
97.06527	1.4
97.10156	4.0
105.07012	40.6
107.08578	64.2
109.06516	3.5
109.10143	28.5
111.08073	3.2
117.06989	3.9
119.08562	73.3
121.06464	5.0
121.10122	30.4
123.08042	1.1
123.11700	8.0
130.07748	0.7
131.08534	26.0
133.06508	0.8
133.10106	68.5
135.08057	3.4
135.11690	10.5
137.09602	1.5
142.07811	0.8
143.08539	4.9
144.09372	1.1
145.10104	22.8
147.07939	0.8
147.11668	32.8
149.09612	3.8
149.13231	12.9
154.98633	0.7
157.10091	7.6
158.10918	2.8
159.11664	17.4
161.09601	3.3
161.13222	21.9
163.11143	3.8
163.14784	19.5
167.10664	0.8
169.10117	0.8
170.10875	1.0
171.11674	3.1
173.13234	41.6
175.11115	3.3
175.14798	23.5
175.16324	0.8
177.12723	1.2
177.16351	12.1
183.11668	1.1
185.13240	8.2
187.11176	0.7
187.14789	16.0
189.12724	1.3
189.16347	19.3
191.14278	59.2
191.17944	3.7
193.12241	1.2
193.15906	2.5
197.13266	1.1
199.14853	4.2
200.86060	0.7
201.16351	8.2
203.14359	15.4
203.17921	100.0
205.15836	7.7
205.19498	0.9
207.17499	0.6
213.16360	3.2
215.17911	3.5
217.15958	1.4
217.19511	4.4
221.15327	37.6
223.14973	0.8
223.17023	2.6
227.17935	1.3
229.15988	1.1
229.19553	2.9
231.17395	2.7
231.21088	2.8
232.68451	0.9
235.17120	0.8
249.18445	2.7
253.19380	0.8
261.18381	1.6
263.17416	0.9
263.19989	20.5
271.24191	1.0
283.23859	0.7
293.22687	1.5
311.23608	7.2
326.49695	0.7
329.24637	3.6
389.31940	1.7
395.32983	3.1
402.39072	0.8
407.32971	7.4
425.34048	41.7
435.32605	1.0
443.34918	4.3
449.34045	1.2
453.33466	5.4
467.35126	3.1
485.36298	3.7
503.37189	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	503.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40925	1.6
50.55796	1.7
52.11769	1.7
55.05502	18.1
61.64301	2.0
67.05479	14.0
67.17334	1.8
69.03414	4.5
69.07045	17.3
70.69800	1.9
71.04955	2.3
74.61243	1.9
79.05471	21.4
81.07042	48.2
83.04964	3.9
83.08623	3.8
91.05454	25.7
92.09219	3.3
93.07024	52.7
95.04948	5.2
95.08586	64.2
97.06530	3.9
105.03371	2.2
105.07013	75.4
105.45445	2.2
107.08573	72.8
109.06498	13.2
109.10143	31.7
111.08028	2.9
113.05975	2.8
117.06987	14.0
119.08561	100.0
121.06470	11.8
121.10124	53.8
123.08047	10.2
123.11687	16.8
125.05917	3.6
128.06226	2.8
129.06984	5.5
130.07787	2.5
131.08542	49.7
133.10098	61.3
135.08014	16.3
135.11688	20.5
137.05954	3.7
137.09575	2.5
142.07774	8.9
143.08516	25.8
145.10104	73.5
147.08055	8.3
147.11656	36.4
147.38751	2.4
149.09593	4.9
149.13197	15.6
151.07526	5.1
153.09071	4.1
155.08586	5.0
156.09308	3.7
157.10100	31.5
158.10843	3.2
159.08037	7.9
159.11644	46.7
161.09608	18.5
161.13196	27.3
163.07552	5.1
163.11159	4.0
163.14757	22.1
167.08553	3.2
167.10710	2.1
169.10121	10.8
170.10881	8.7
171.11665	34.4
172.12381	2.9
173.09613	13.9
173.13214	42.8
175.11127	9.6
175.14743	31.8
177.09111	8.8
177.12740	4.5
177.16342	24.2
183.11652	13.5
185.13213	22.8
187.11177	5.2
187.14789	54.3
189.12752	15.2
189.16360	33.8
191.17914	5.1
195.11644	3.4
197.13216	15.3
199.14807	12.9
201.12698	14.2
201.16336	37.4
203.14290	21.6
203.17946	12.3
205.15880	10.2
207.11591	2.6
209.13245	4.2
211.14818	5.2
213.12770	3.6
213.16367	9.6
215.14268	14.0
215.17926	12.2
217.15831	2.8
219.13744	3.5
221.15334	8.0
227.17970	4.8
229.15857	3.8
229.19470	13.6
231.13800	5.5
233.15294	11.3
235.16925	5.2
241.19380	2.9
247.16803	22.8
249.14804	15.8
251.16194	4.3
255.21071	3.4
267.15866	17.5
273.49655	2.4
279.20978	2.7
361.24188	2.7
363.26620	2.4
373.28714	5.1
391.29999	9.1
403.29776	14.2
419.29361	3.7
421.30817	35.1
431.29318	3.1
437.30396	9.7
439.32037	28.2
449.30170	11.0
457.33270	46.9
467.31482	22.1
485.32733	9.5
503.33453	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	503.3362
Annotation	Dianic acid
Peak:m/z	Relative Intensity
53.16245	0.6
55.01864	0.5
55.05497	5.7
57.03430	0.8
67.05490	6.6
69.03419	2.9
69.07053	6.6
70.13699	0.5
71.04955	1.0
72.38499	0.6
72.99106	0.5
79.05476	6.2
79.53252	0.6
81.07037	15.5
83.04967	5.0
83.08605	3.0
91.05457	10.2
93.06429	0.6
93.07020	15.5
95.04961	4.3
95.08580	18.0
97.06506	5.8
97.10159	0.8
105.03366	3.6
105.07014	31.2
107.04971	0.9
107.08572	23.5
109.02878	0.6
109.06504	6.0
109.10141	10.6
110.47675	0.6
111.08042	2.4
115.05479	0.6
116.99487	0.6
117.07003	3.6
119.08559	40.9
121.06487	4.0
121.10121	18.5
123.08029	5.1
123.11691	2.5
125.09606	1.3
128.06235	0.9
129.06978	4.1
131.08527	15.7
131.52849	0.6
131.53804	0.6
133.06468	1.3
133.10103	20.4
133.11024	1.1
135.08014	5.2
135.11668	5.7
137.05951	0.8
137.09616	4.0
139.07518	0.9
141.06972	1.0
142.07791	1.0
143.08543	9.6
145.10106	21.8
147.08058	3.5
147.11676	12.0
149.09592	7.9
149.13205	4.6
151.11197	0.9
153.09116	0.7
154.42911	0.6
155.08557	2.7
156.09309	3.4
157.10086	12.4
158.10936	1.4
159.08040	3.3
159.11664	15.5
161.09570	10.0
161.10631	0.6
161.13231	8.2
163.07512	0.8
163.11153	2.8
163.14786	5.2
167.10692	0.8
169.10107	4.3
170.10893	1.4
171.08038	1.2
171.11618	7.7
173.09573	3.0
173.13231	14.9
175.11150	3.6
175.14787	21.0
175.61923	0.7
177.12738	1.2
177.16368	3.0
182.10800	0.9
183.11578	4.5
185.13194	9.3
187.11201	3.0
187.14774	12.6
189.12703	4.9
189.16341	17.0
189.17938	1.0
191.14281	2.6
195.11635	2.5
197.13316	5.7
199.14752	10.8
201.12755	3.5
201.16342	4.9
203.14270	4.3
203.17998	1.4
205.15874	1.3
207.11829	1.4
207.13776	0.8
209.13240	2.7
211.14780	4.3
213.12756	3.9
213.16342	3.2
215.14281	6.2
215.18034	1.3
217.15823	12.2
223.14740	1.4
225.16344	1.0
227.14244	0.7
227.17900	2.5
229.15906	3.2
229.19522	1.1
231.13795	4.8
231.17342	1.1
233.15338	1.4
235.14717	1.1
237.16170	0.8
239.18036	0.9
241.15877	0.9
241.19464	2.5
243.17415	1.0
245.15356	0.7
249.14827	1.3
253.19452	2.3
257.18973	1.0
267.21045	1.1
271.20599	3.0
277.19635	0.7
279.20816	1.2
297.22272	1.1
297.83859	0.7
308.77765	0.6
333.25681	0.9
383.25552	0.7
383.69818	0.7
385.29074	0.9
391.30020	1.4
393.31598	0.8
403.29919	5.9
421.30853	11.5
431.29520	1.2
437.30408	4.0
439.32123	4.9
443.82547	0.7
449.24844	0.9
449.30566	8.8
455.31546	1.4
457.33148	6.2
467.24808	1.0
467.31448	24.8
485.32498	11.9
503.33591	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	503.3366
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
51.81717	0.9
53.03926	2.2
55.01853	1.0
55.05501	13.1
55.14135	0.9
57.03422	1.9
57.07064	2.2
61.23474	0.9
67.05489	16.5
69.03391	5.9
69.07050	21.5
71.04956	2.4
71.08647	1.0
79.05476	21.8
81.03404	1.4
81.07037	50.1
83.04945	7.0
83.08600	11.1
85.02892	1.6
85.06528	2.0
91.05457	24.8
92.09164	5.0
93.07018	45.9
95.04955	8.6
95.08582	62.2
97.02872	1.3
97.06499	6.8
97.10148	4.3
99.04418	2.2
101.54299	1.0
105.03364	7.7
105.07013	68.0
107.08572	68.9
109.06487	12.6
109.10143	33.7
111.08055	6.9
115.05418	1.3
117.04794	1.1
117.06989	14.6
119.04924	1.2
119.08555	100.0
121.06485	11.0
121.10124	43.1
123.08017	8.6
123.11676	11.6
125.05959	2.3
125.09587	2.3
128.06184	2.2
129.06984	8.4
130.07742	4.5
131.08531	41.3
133.06487	5.7
133.10104	63.6
135.08035	17.6
135.11664	21.7
137.05934	6.3
137.09589	4.3
137.13286	1.1
139.07494	2.3
141.06981	1.6
142.07745	7.5
143.08533	21.4
144.09283	4.7
145.06433	1.1
145.10100	80.9
147.08011	10.8
147.11658	39.6
149.09622	9.9
149.13232	16.2
151.07494	4.3
153.09084	4.9
155.08517	8.6
156.09305	10.5
157.10095	33.7
158.07281	1.7
158.10861	6.2
159.08037	12.4
159.11659	50.4
161.09572	16.4
161.13222	27.2
163.07506	4.5
163.11116	7.6
163.14781	17.4
165.09093	4.7
167.08492	2.2
168.09273	2.0
169.10045	11.4
170.10863	7.0
171.07990	1.3
171.11647	24.8
172.12424	5.0
173.09586	12.9
173.13211	48.0
174.10306	1.2
175.11128	11.0
175.14784	41.1
177.09059	5.5
177.12715	5.6
177.16335	31.7
179.10661	1.8
181.10080	4.5
182.10892	5.2
183.11646	12.8
185.13216	22.4
186.10248	1.5
187.11230	7.8
187.14781	58.3
189.12761	13.5
189.16345	34.0
191.10579	2.0
191.14240	7.0
191.17947	5.1
193.10078	1.3
193.12033	1.2
193.15898	1.6
195.11639	5.2
196.12402	2.0
197.13185	9.6
199.14764	13.2
201.12743	16.7
201.16345	46.5
203.14278	19.2
203.15958	1.4
203.16315	1.2
203.17889	13.2
205.11981	1.4
205.15857	5.6
207.11790	1.3
207.13715	5.2
209.13185	6.3
211.14717	7.9
213.12650	6.5
213.16389	12.1
215.14314	12.7
215.17871	15.7
217.15854	6.2
217.19362	1.9
219.11839	1.2
219.13774	5.7
219.17441	4.2
221.13263	2.3
221.15300	7.4
223.14771	3.7
223.16742	2.0
225.16296	4.6
227.14290	4.7
227.17836	5.2
229.15836	7.2
229.19431	12.5
231.13756	4.7
233.15334	15.8
235.16875	6.5
239.17918	1.3
241.19362	7.7
243.21025	1.5
245.15276	4.7
247.16885	19.5
249.14735	12.7
251.16177	2.2
253.19441	4.6
255.20978	1.9
267.15829	12.0
267.21103	1.4
269.22479	1.4
307.20282	1.4
319.24255	1.4
325.21353	1.6
370.11087	1.2
373.28632	1.3
375.30704	1.9
385.28772	2.4
391.29712	6.8
403.29868	13.0
404.78613	1.1
409.30548	1.9
419.29221	11.0
421.30975	36.0
425.30881	1.4
431.29773	1.3
437.30249	7.3
439.31973	33.2
449.30493	10.6
457.33115	40.9
467.31476	26.8
485.32568	13.0
503.33682	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	503.3366
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
55.05496	16.5
57.07055	1.1
66.74184	0.9
67.05491	13.8
69.03403	4.7
69.07051	15.4
71.04977	2.1
79.05475	15.9
81.07038	36.6
83.04951	5.5
83.08611	8.0
85.06501	1.5
91.05458	19.7
92.08694	2.1
92.09224	3.5
93.07021	37.2
93.54497	0.8
95.04935	5.2
95.08003	2.1
95.08585	50.7
97.06491	5.9
97.10115	1.7
99.04464	1.1
105.03350	1.7
105.07012	59.7
107.07861	2.0
107.08578	60.1
109.06503	12.2
109.10136	28.9
111.04459	1.6
111.08078	2.2
115.05421	1.4
117.07000	11.9
119.08553	100.0
121.06490	12.1
121.10112	34.7
123.08028	9.4
123.11658	6.5
125.05968	1.2
125.09579	1.9
128.06223	1.4
129.06989	7.8
130.07759	1.2
131.08539	51.0
133.06497	1.4
133.10103	48.5
135.08035	13.6
135.11685	13.6
137.05916	5.1
137.09584	5.0
137.13213	1.2
139.07498	1.4
142.07718	4.9
143.08537	20.4
144.09294	2.3
145.06502	1.6
145.10101	86.6
147.08011	10.7
147.11667	33.1
149.05902	1.3
149.09584	6.4
149.13216	12.5
151.07521	2.2
151.11116	2.3
153.08987	2.0
155.08502	5.7
156.09306	8.8
157.10114	25.6
158.10840	5.1
159.08064	7.8
159.11662	47.7
160.08826	2.0
161.09599	14.3
161.13220	27.2
163.07468	1.6
163.11151	5.8
163.14790	18.1
165.09097	3.5
165.12715	1.2
167.08498	1.5
169.10114	8.2
170.10895	7.4
171.08109	1.1
171.11639	19.5
172.12439	3.8
173.09552	7.5
173.13217	47.5
174.10391	1.3
174.13850	1.1
175.11189	11.4
175.14786	43.9
177.09016	1.3
177.12715	6.0
177.16324	17.2
179.10536	1.1
179.14243	1.6
182.10880	4.5
183.11673	8.3
185.13208	25.2
186.13972	1.5
187.11136	2.1
187.14778	66.3
189.12749	13.9
189.16327	19.9
191.10571	4.1
191.14247	11.3
193.12170	1.8
193.15933	1.2
195.11726	1.6
197.13260	8.5
199.11226	1.1
199.14769	17.9
201.12685	8.1
201.16347	58.9
203.14273	21.0
203.17940	15.2
205.12259	1.1
205.15836	4.0
207.13741	4.3
209.13293	2.4
211.14793	5.9
213.12660	2.1
213.16344	17.4
215.14330	17.7
215.17860	14.0
217.15814	6.1
217.19469	4.0
219.13765	4.5
219.17355	1.4
221.15309	12.9
223.14711	1.6
225.16277	2.2
227.14261	2.3
227.17960	7.0
229.15839	5.5
229.19418	1.6
231.13710	1.6
231.17459	1.4
233.15323	5.9
235.16911	2.3
239.16125	1.5
241.19461	2.3
245.15305	5.0
245.18996	1.2
247.16867	13.7
249.14714	1.4
259.16989	1.4
265.18005	2.0
267.15689	1.5
267.20819	1.3
281.17438	2.4
385.28564	1.2
391.29855	8.6
403.29889	12.2
405.31400	1.2
409.30838	1.4
419.29419	10.2
421.30920	27.3
423.32434	4.2
431.29443	4.0
437.30432	8.5
439.31967	25.0
441.33591	1.5
449.30396	12.2
457.33099	38.2
459.34210	1.2
467.31567	14.3
485.32266	5.8
503.33435	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	503.3362
Annotation	CHEBI:69363
Peak:m/z	Relative Intensity
53.42691	2.6
55.05502	12.3
56.91150	2.6
57.03426	2.8
59.87428	2.8
65.31725	2.6
67.05510	22.0
67.05814	2.7
69.03404	19.1
69.07050	19.6
72.86037	2.5
77.97393	2.9
79.05476	20.8
81.07030	46.3
83.04949	4.3
83.08620	7.4
85.02914	9.7
91.05431	24.1
92.64068	3.2
93.07020	53.4
95.04945	7.2
95.08580	67.1
97.02888	12.1
105.07008	64.5
107.08570	66.0
108.43761	3.2
109.02850	6.7
109.06517	14.2
109.10144	30.4
109.20739	2.8
111.04456	4.3
115.03927	11.9
117.06988	12.8
119.08558	100.0
121.06470	16.3
121.10101	54.5
123.11703	16.7
125.09653	2.7
129.07045	4.2
131.08530	48.4
133.06435	4.7
133.10097	66.2
135.07999	6.3
135.11661	41.3
137.05956	3.7
141.07031	3.7
142.07797	4.2
143.08559	15.6
144.09186	2.8
145.06429	4.5
145.10086	79.4
147.08025	12.5
147.11678	51.1
149.09543	3.8
149.13235	17.9
151.11185	3.5
155.08543	6.5
157.10132	24.2
158.10860	3.1
159.08064	4.1
159.11670	43.2
159.67494	3.5
161.09628	12.4
161.13205	29.6
163.14766	20.6
165.09164	3.7
169.10120	5.7
171.11678	20.5
173.09659	5.3
173.13257	37.8
175.11110	11.2
175.14777	33.8
177.09157	4.5
177.12659	5.2
177.16345	23.5
178.02122	3.3
181.10219	3.0
183.11647	16.5
185.13200	21.0
187.11148	5.8
187.14767	68.9
189.12752	26.4
189.16351	65.1
191.14333	4.7
191.17940	6.9
195.11720	4.1
199.14792	18.2
201.12706	6.3
201.16339	39.6
203.14314	16.2
203.17978	19.0
213.12801	3.4
213.16344	6.6
215.14293	15.7
215.17905	18.9
217.15791	11.5
221.15321	3.3
223.14717	3.6
225.16176	3.3
227.17841	4.7
229.15828	3.7
229.19510	10.4
233.15404	12.7
235.16882	5.2
247.16882	6.0
377.17963	2.9
391.29901	26.8
403.29901	4.3
409.30963	29.8
421.30896	24.8
437.30289	12.3
439.32053	16.3
449.30157	14.8
455.31488	29.7
467.31348	14.7
485.32312	4.0
503.34012	3.3
506.15781	3.3
517.07446	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	503.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53108	0.4
55.05495	3.6
56.05014	0.5
57.03420	1.2
57.07050	1.0
59.04994	1.3
64.41602	0.5
67.05490	4.2
69.03412	12.1
69.07054	7.8
71.04971	5.1
74.06049	0.8
79.05462	3.5
81.03394	3.0
81.07028	12.0
83.04969	11.5
83.08604	3.2
85.02886	9.7
85.06490	0.7
91.05453	3.7
92.08673	0.8
92.09171	1.7
93.07009	8.2
95.04942	4.2
95.08580	20.5
97.02862	3.7
97.06551	4.2
99.08060	4.2
104.08744	0.6
105.03365	1.1
105.07013	7.4
107.04903	0.7
107.06699	0.5
107.08572	33.1
109.02870	0.7
109.06517	7.5
109.10139	14.6
109.23559	0.5
111.08060	2.2
113.09589	0.6
117.06962	0.7
119.08553	5.3
120.06571	1.1
121.06462	2.9
121.10117	36.5
121.96404	0.6
123.08054	4.5
123.11655	4.5
125.05984	0.7
125.09612	16.3
131.08542	7.0
133.10100	16.2
135.08026	12.6
135.11668	5.2
137.09581	8.8
139.11163	5.6
143.08533	1.2
145.10100	3.5
146.10579	0.7
147.07976	0.6
147.11682	9.1
149.09604	11.9
149.13225	21.3
151.11159	100.0
153.09052	1.1
157.78630	0.7
158.10878	3.4
163.14783	11.5
165.12718	10.9
173.13229	15.7
191.14275	60.5
201.13097	0.6
203.17892	0.6
209.15331	82.3
219.30270	0.6
346.78473	0.6
371.20453	2.3
468.83780	0.6
503.20004	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	503.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26940	1.0
53.00285	1.7
53.03930	3.0
55.01861	2.9
55.05506	15.9
57.03410	6.0
57.07061	5.2
59.04981	3.1
67.05489	23.5
69.03418	18.3
69.07051	35.6
71.04974	43.0
71.05366	1.7
73.06550	1.7
79.05479	34.5
81.03389	2.5
81.07037	100.0
82.89523	1.3
83.04957	7.0
83.08609	8.3
85.02887	10.4
85.06525	8.7
91.05446	22.7
93.07022	72.6
94.07349	3.0
95.04953	14.5
95.08002	2.2
95.08582	47.7
96.08915	2.2
97.02876	2.9
97.06518	12.8
97.10149	3.2
99.04435	2.1
99.08066	8.6
103.05419	1.3
105.03370	16.3
105.07013	56.7
106.07323	2.6
107.04935	1.8
107.08577	81.6
107.09298	2.8
108.08875	2.1
109.02868	2.4
109.06494	8.2
109.09408	1.3
109.10141	37.3
110.10490	2.0
111.08047	8.8
111.11678	2.9
117.06998	7.4
119.08555	56.5
120.08897	2.4
121.06480	1.7
121.10112	35.3
122.10464	1.8
123.04393	1.4
123.08025	5.7
123.11658	17.6
125.09631	12.7
127.07536	1.7
127.10294	2.7
127.11176	52.5
128.06183	1.9
129.07079	2.0
131.08534	19.9
133.06534	1.5
133.10104	36.0
134.10466	2.2
135.08055	2.6
135.11673	67.7
136.12027	1.9
137.05965	1.8
137.09662	4.6
137.13277	2.1
139.11150	6.5
142.07739	2.4
143.08574	10.1
143.10735	1.4
144.09233	1.9
145.02838	3.0
145.10107	30.8
146.10510	1.5
147.08041	1.5
147.11667	19.6
149.09608	2.8
149.13235	10.6
151.11137	8.9
155.10617	20.0
157.10080	15.8
159.08011	2.4
159.11668	21.8
160.12064	1.9
161.09561	2.2
161.13275	11.2
163.14742	1.9
171.11658	10.1
173.13200	11.1
175.14784	6.8
177.05443	3.2
177.12718	1.6
183.11609	1.4
183.13753	6.6
185.13245	7.5
187.14772	7.2
189.16339	2.7
191.14172	1.8
191.17966	1.7
193.15829	1.5
197.01262	1.4
199.14787	8.4
201.16351	27.6
202.22316	1.3
203.05241	1.9
203.17944	3.1
205.89758	1.4
209.15410	1.7
213.16322	7.0
219.17387	8.1
225.16322	1.4
227.16327	5.0
249.11104	7.9
269.22443	4.6
270.22977	2.7
287.23578	14.4
305.24677	31.5
323.25494	4.6
421.30249	1.7
500.03067	1.9
503.24640	6.2
503.33255	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	503.2484
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
55.05506	2.5
57.03437	0.4
62.18122	0.3
67.05498	1.9
68.08889	0.3
69.03420	5.4
69.07059	1.9
71.04981	0.6
79.05482	3.8
81.07043	6.7
83.04970	0.6
83.08614	0.3
85.02878	0.8
86.09719	0.3
87.04445	0.4
91.05461	3.6
92.08825	0.6
93.07015	2.2
95.04987	0.7
95.08573	1.9
97.02840	0.6
97.61335	0.3
105.03413	0.4
105.07002	4.9
107.04909	1.5
107.08578	18.1
109.06494	7.0
109.10136	6.7
115.05418	1.2
117.06998	3.0
119.06060	0.3
119.08581	2.5
121.06489	0.8
121.10121	11.6
122.07256	4.9
123.08040	1.3
125.09612	0.5
127.03835	0.4
131.08533	2.1
133.10104	100.0
135.08028	12.5
135.11661	0.8
137.09593	81.3
145.10107	1.4
147.11667	2.0
149.09581	0.8
149.13239	11.1
151.11116	0.4
158.10831	1.4
163.14786	2.1
173.13214	6.1
176.90518	0.4
191.14272	34.0
191.34181	0.4
209.15331	12.1
237.59470	0.3
267.27536	0.3
331.73712	0.4
503.15051	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	503.2485
Annotation	Eriojaposide A
Peak:m/z	Relative Intensity
53.03936	0.9
55.01863	0.8
55.05501	2.0
57.03422	3.0
57.07057	0.7
58.20927	0.3
59.04989	0.9
60.24131	0.3
61.02912	2.6
67.05480	2.5
69.03416	15.0
69.07056	2.8
71.04971	2.1
72.08143	1.9
73.02895	0.6
79.05472	1.7
81.03399	7.6
81.07029	5.1
82.89412	0.5
83.04957	3.2
83.08609	0.8
85.02887	23.0
85.06520	0.4
86.09668	0.4
87.04453	1.8
90.91692	0.3
91.03947	0.8
91.05452	2.1
92.08720	0.5
92.09195	0.5
93.07020	4.6
95.04932	4.0
95.08586	5.2
97.02869	7.9
97.06492	1.7
98.30009	0.4
99.04436	1.8
99.08085	0.4
105.03388	1.9
105.07008	5.5
107.04893	0.6
107.08576	8.9
109.02844	2.3
109.06492	7.5
109.10130	3.2
111.08040	0.7
114.29389	0.4
115.03948	0.7
117.03378	0.5
119.08577	5.0
121.06487	0.7
121.10122	12.0
122.07276	0.5
123.08040	6.4
123.11688	4.7
125.09576	1.7
127.03905	4.0
129.06992	0.4
129.47137	0.4
131.08542	3.7
132.03777	0.4
133.10106	11.7
133.11139	0.4
135.08046	2.9
135.08957	0.4
135.11618	0.6
137.09589	11.2
137.13243	1.6
143.08574	0.7
145.02814	1.4
145.04921	3.0
145.10109	2.1
147.11598	3.5
149.09578	8.8
149.10692	0.5
149.13226	6.5
151.11157	16.5
157.10063	0.4
158.10866	0.9
161.09543	0.5
163.11325	0.4
163.14774	0.8
165.12718	59.7
173.13220	6.9
177.05388	1.6
191.14275	16.0
193.15858	1.6
209.15334	100.0
305.24652	0.4
371.20654	3.8
503.20047	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.05498	5.6
57.03414	0.7
65.03903	0.7
66.61701	0.7
67.05495	7.4
69.03410	3.3
69.07049	6.4
74.90861	0.7
76.00118	0.7
79.05473	6.8
81.07038	15.0
83.04950	2.8
83.08608	3.7
85.02888	1.7
85.06520	1.3
85.85854	0.7
86.56894	0.7
91.05446	8.6
92.08998	1.5
93.07023	14.0
94.65095	0.9
95.04948	4.7
95.08581	17.7
97.01153	0.7
97.02877	1.2
97.06495	0.9
97.10170	0.9
105.03369	12.2
105.07010	19.3
107.08581	14.4
109.06496	3.2
109.10145	11.2
111.08009	1.0
117.07021	4.1
119.05984	0.9
119.08562	21.6
120.08896	1.8
121.06478	1.3
121.10123	11.5
123.08054	0.8
123.11684	1.3
125.09628	1.0
128.06219	1.0
129.07007	1.4
131.08533	8.7
133.06520	1.3
133.10104	16.8
134.10452	1.1
135.08076	3.2
135.10779	0.8
135.11635	5.8
137.05948	1.2
137.09666	1.0
138.66133	0.8
143.08540	6.2
144.09270	1.1
145.06499	1.0
145.10109	16.8
147.08054	3.4
147.11655	8.0
149.09608	1.2
149.13275	4.0
155.08543	1.7
156.09341	1.1
157.10115	7.5
158.10822	0.8
159.08014	0.9
159.11644	8.6
161.09619	5.4
161.13245	4.5
163.14795	5.3
169.10066	1.7
171.11710	5.5
173.09529	1.4
173.13208	7.2
175.11182	2.9
175.14775	8.4
177.09207	1.0
177.16327	3.4
181.10156	1.6
183.11745	3.3
185.09622	1.5
185.13242	4.9
186.13831	0.8
187.11125	1.0
187.14801	8.0
189.12689	1.3
189.16368	6.4
191.17928	1.3
197.13269	1.4
199.14897	2.5
201.12747	1.8
201.16289	7.3
203.14339	3.8
203.17975	5.0
207.13855	1.1
213.12669	1.2
215.14304	0.9
215.18004	3.3
217.15869	1.2
229.12039	0.7
229.19289	1.0
231.13799	1.0
240.51003	0.7
247.16956	1.3
249.14828	0.9
267.15714	1.1
319.90939	0.8
391.30148	1.7
403.29956	1.2
419.29416	1.6
421.30862	3.6
437.30261	1.6
439.31854	5.0
449.30588	1.3
457.33072	5.8
467.31088	1.0
483.46942	0.9
485.32703	4.0
486.46088	1.0
503.22400	100.0
503.33786	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	502.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	49.6
57.03425	7.3
57.07064	46.2
67.05480	8.6
69.07056	31.2
71.08616	37.0
73.06538	5.7
81.07060	26.2
83.04967	100.0
83.08606	19.1
85.10157	18.2
91.00995	3.0
91.26978	3.4
93.07012	6.4
95.08579	29.5
97.06517	8.5
97.10174	8.0
97.87371	3.6
101.05999	41.6
105.07045	5.0
107.08576	12.8
109.10138	7.8
111.11736	3.4
121.10094	6.6
123.11680	4.3
126.63681	3.5
135.11659	6.9
142.27573	3.9
143.07030	18.1
149.13257	7.3
157.12289	3.8
161.08055	5.9
185.50949	3.7
199.16978	4.2
246.76265	3.4
307.29962	7.7
321.22186	4.2
325.30936	6.8
331.78864	3.8
355.68301	4.3
373.74271	4.0
385.55011	3.8
400.25986	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	503.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01862	1.0
55.05481	0.5
55.18811	0.4
57.03427	0.6
57.15530	0.4
60.08136	0.5
61.02890	0.7
66.97852	0.4
67.05486	2.2
69.03415	3.7
69.07045	0.9
71.04970	2.1
73.02907	0.4
79.05466	3.0
81.03382	1.7
81.07032	3.4
81.75674	0.4
83.04966	0.6
85.02885	9.2
85.06512	0.5
86.09286	0.4
86.09694	5.9
87.10014	1.8
89.06006	8.6
91.05459	5.4
92.08784	0.5
93.07031	3.3
94.04153	2.9
95.04937	2.5
95.08582	2.8
97.02890	3.5
99.04462	1.7
103.05460	1.9
104.06270	0.6
105.03364	1.9
105.07011	11.8
107.04935	1.9
107.08577	2.5
109.02856	2.9
109.06511	5.5
109.10146	3.5
109.48404	0.4
111.08083	0.7
115.05447	4.3
117.06984	2.0
119.08533	3.8
121.06519	0.9
121.10083	0.8
122.03628	8.4
123.08016	0.7
123.11698	0.5
124.99997	3.1
125.06010	0.6
127.00414	0.5
127.03867	0.6
128.06212	1.7
129.06960	3.8
131.04904	0.7
131.08556	0.7
132.05673	2.0
133.06488	5.2
133.10124	1.6
134.08714	0.4
135.06509	0.6
135.11711	1.5
137.05959	100.0
137.09584	11.2
141.06956	0.5
143.04874	0.7
144.05676	0.8
145.04944	0.7
145.06474	2.4
145.10069	0.9
146.03625	0.8
147.04425	2.4
147.08087	3.2
149.05943	2.1
149.09581	2.0
151.07536	1.6
155.04956	1.0
156.05661	0.6
159.08032	3.5
160.05159	2.2
161.05956	11.2
161.13272	0.7
163.07515	0.6
171.07988	0.8
172.05170	1.8
173.13303	0.5
175.07506	19.3
179.07019	0.6
184.05438	1.3
184.07315	8.7
185.07640	3.2
186.07759	3.3
187.07495	8.6
189.06952	0.6
189.09122	0.8
190.07654	3.2
191.08519	11.6
191.14294	0.5
199.07542	6.9
202.07784	3.7
203.08585	6.1
205.06502	0.5
207.07959	0.5
207.13763	2.3
208.08823	0.9
215.67348	0.5
218.07210	3.5
219.08022	16.8
220.08836	2.8
223.07597	0.5
231.08020	6.1
232.08788	0.7
233.09650	0.5
235.07483	1.0
236.08289	2.7
237.09148	0.5
242.59550	0.4
247.07494	6.1
248.08127	3.2
249.09105	0.4
251.10582	17.0
253.08351	0.6
259.07434	3.0
260.08276	2.0
261.09311	0.8
263.10562	3.5
264.07776	0.7
265.08386	0.5
276.07730	1.8
277.08536	1.6
279.10120	11.4
280.11072	0.9
281.08011	1.6
291.10056	5.3
292.10910	1.7
296.10452	1.7
308.10394	1.7
311.12717	20.5
323.12738	7.0
329.88623	0.5
341.13846	0.6
452.23083	0.9
463.04849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23599	0.7
54.82199	0.7
55.05504	12.8
56.50922	0.6
57.03429	20.8
57.07068	41.9
59.04985	5.4
60.40070	0.8
61.73870	0.6
62.19658	0.7
62.83942	0.7
65.03929	0.8
67.05493	100.0
67.21252	0.8
69.07055	11.5
71.04967	3.7
71.08241	1.7
71.08613	25.4
77.89786	0.8
79.05478	1.4
81.07040	24.0
83.08601	14.0
85.06541	4.3
85.10168	12.7
89.05997	1.5
91.05442	6.9
92.08938	2.0
93.07018	4.5
95.08594	21.0
97.10146	4.6
107.08576	1.8
109.10145	85.4
111.08074	1.7
119.08582	5.9
123.11712	1.7
137.09647	3.9
155.10649	2.0
161.36902	0.8
169.44865	0.8
173.11699	16.6
229.12025	1.7
229.14304	55.0
257.24722	1.5
258.45139	0.9
313.27304	61.3
345.63492	0.8
346.49481	0.8
467.30573	1.5
467.37219	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34610	2.0
52.94934	1.8
55.05500	12.3
55.53196	2.3
57.03431	19.1
57.06818	3.1
57.07072	47.4
59.05002	2.9
67.05495	100.0
69.07038	5.5
71.04954	2.6
71.08621	35.1
79.05488	3.8
81.07039	26.5
83.08593	15.9
85.10162	17.3
87.24451	2.7
91.05473	5.4
91.65420	3.1
92.09185	15.4
95.08591	25.2
97.10159	5.0
99.47173	2.7
101.09251	2.9
109.10154	88.1
111.08054	2.7
117.95856	2.4
153.12732	3.1
173.11694	20.3
195.62277	2.6
229.14342	58.5
313.27347	71.0
374.24716	3.1
467.37311	60.2
502.35764	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	502.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.5
53.03940	0.8
55.01862	0.8
55.05236	0.4
55.05504	12.1
56.53178	0.3
57.03422	2.2
57.07065	11.9
61.02907	3.6
67.05493	2.2
69.03409	6.1
69.07053	100.0
70.06586	0.7
70.07363	0.5
71.04960	0.5
73.02905	1.7
73.37700	0.4
76.56203	0.4
77.62613	0.4
78.23103	0.4
79.05462	0.8
81.03389	3.9
81.07038	0.9
81.11514	0.4
83.04984	0.5
83.08601	37.7
83.74132	0.3
85.02887	30.9
86.09686	2.9
87.04470	0.9
89.08833	0.5
91.03920	0.9
91.05499	0.4
93.07043	0.4
95.04935	0.5
97.02860	7.2
97.06519	0.6
97.10153	2.5
98.25188	0.4
99.04418	0.9
105.03395	1.9
107.04961	0.4
107.08576	0.4
109.02869	3.3
116.07125	0.4
116.12210	0.5
123.04398	0.4
125.09608	0.7
125.13251	3.8
127.03899	5.0
143.10600	0.6
143.14293	14.5
145.02837	0.4
145.04933	5.5
147.04420	2.6
155.07158	0.5
161.15329	45.6
163.06024	1.6
174.06796	0.4
177.05486	0.5
184.07326	0.5
232.28621	0.4
278.99509	0.5
325.11359	0.5
352.13104	0.5
503.20166	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.7
53.03935	0.6
54.26954	0.2
55.01858	1.6
55.05504	11.9
57.03427	3.2
57.07066	13.8
57.99326	0.3
59.04981	0.5
60.08145	0.7
61.02913	4.5
65.64755	0.3
67.05494	2.7
69.03069	0.4
69.03417	9.7
69.07051	100.0
70.06572	1.6
71.04976	1.4
71.07352	0.4
72.08129	0.5
73.02898	2.1
73.33160	0.3
74.15105	0.3
74.59534	0.3
81.03396	5.4
81.07032	0.5
83.01327	0.5
83.04991	0.3
83.08184	0.7
83.08601	39.5
85.02886	50.1
85.47044	0.3
86.09685	8.2
87.04465	0.7
91.03928	1.3
93.07011	0.3
95.04934	0.7
97.02866	11.8
97.10154	2.2
99.04433	2.0
101.02372	0.4
104.10722	6.1
105.03379	0.4
105.06979	0.3
109.02850	4.6
109.10170	0.4
115.03963	0.3
116.07070	0.5
121.06481	0.4
124.12077	0.3
124.99969	3.0
125.13220	4.4
127.03884	8.6
131.08485	0.3
133.10114	0.4
137.06004	0.4
143.14287	17.0
144.60440	0.3
145.02864	0.5
145.04935	8.4
147.04485	0.3
159.11629	0.3
161.15331	46.0
163.05971	2.9
167.07057	1.5
177.05434	0.4
184.07304	12.0
239.82800	0.4
245.03014	0.3
291.10568	0.3
325.11407	0.7
402.05228	0.3
412.20844	2.5
452.00278	0.3
473.98734	0.3
502.24380	2.3
503.20160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	40.6
57.07064	15.7
66.10498	1.5
67.05143	2.8
67.05493	72.1
69.06712	3.4
69.07058	56.6
69.99791	1.6
71.08619	7.8
74.70850	1.7
76.02464	1.6
79.05470	12.5
81.07039	99.3
83.08605	39.5
92.08644	4.0
92.09242	5.8
93.07012	10.1
95.08589	100.0
97.10151	41.1
105.07051	2.3
107.08582	9.6
109.10139	43.1
111.11703	10.8
118.07601	2.0
119.08588	2.5
121.10124	6.6
123.11684	19.4
125.13251	4.1
137.13231	12.2
151.14827	1.9
187.72517	1.7
318.14569	2.1
415.07263	2.0
429.44333	29.8
447.45428	9.5
501.35229	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	501.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80629	0.4
51.71607	0.4
53.00290	0.6
53.03923	0.9
55.05505	42.9
57.06807	0.9
57.07067	13.2
59.32225	0.6
59.57868	0.5
65.03922	2.1
67.05492	70.1
69.07055	57.9
69.73228	0.5
70.07396	0.5
71.08617	6.6
73.11862	0.6
76.83646	0.4
79.05467	9.4
80.81642	0.5
81.07038	98.0
83.08606	43.7
84.91040	0.5
85.06524	2.2
85.10153	2.6
91.05437	0.8
92.08952	1.4
93.07014	8.9
95.08582	100.0
97.09513	1.1
97.10148	36.8
107.08585	5.3
109.10140	49.6
111.11698	15.3
113.09612	0.5
121.10092	5.2
123.11677	17.0
125.13247	5.1
135.11681	4.2
137.13260	7.1
149.13251	3.4
151.14806	3.5
153.16330	0.6
163.14841	0.6
165.16380	2.5
176.50842	0.6
207.06235	2.8
207.20966	0.6
317.31705	0.6
331.33667	0.8
333.35077	1.0
345.34982	0.8
347.36606	0.5
359.36642	0.9
373.38297	1.0
386.11856	0.5
387.39941	0.6
429.44473	41.2
447.45471	16.7
465.46509	0.7
501.36102	14.8
502.35764	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	501.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.1
53.03933	1.2
54.34234	0.8
55.05507	44.5
57.07066	14.5
63.05442	0.8
63.94556	0.8
65.03920	1.0
67.05492	71.4
67.50787	0.9
69.07055	53.6
71.08611	7.1
72.67670	0.7
76.56284	1.0
79.05473	9.4
81.07040	100.0
83.08604	41.8
85.06546	1.4
85.10154	3.9
91.05443	1.5
92.09007	9.0
93.07019	7.8
95.08585	94.8
97.10150	38.0
107.08578	4.8
109.10143	51.3
111.11710	13.7
121.10127	1.9
123.11687	16.6
125.13260	4.7
135.11722	4.9
137.13199	7.0
139.14818	1.5
149.13199	1.8
151.14828	3.6
165.16364	1.8
181.37268	0.7
219.06247	1.1
233.96667	0.9
246.73628	1.0
282.88144	1.0
429.38849	1.8
429.44449	37.8
447.45465	13.4
497.09058	1.0
501.35413	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	501.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.4
56.73628	0.9
57.07066	1.9
59.04974	1.9
67.05485	15.1
69.03413	1.5
69.07049	11.0
70.99094	1.0
79.05462	12.7
80.05856	1.0
81.07034	27.9
83.04970	2.1
83.08606	6.3
91.05459	14.5
93.07022	30.9
94.75111	1.1
95.04949	4.5
95.08585	53.7
97.06496	2.6
97.10124	1.0
103.74724	0.9
105.07012	51.5
107.08569	45.3
107.36376	1.1
109.06482	4.7
109.10150	21.4
111.08083	2.4
113.05979	0.9
117.06976	9.9
119.08559	100.0
119.87180	1.0
121.06490	7.5
121.10126	29.4
123.08060	4.2
123.11680	7.2
128.06267	1.6
129.06961	5.0
131.08539	35.9
133.06512	1.4
133.10100	53.8
135.08044	6.0
135.11641	9.8
137.05981	1.2
137.09621	4.5
137.13257	1.2
141.06924	1.3
142.07759	4.6
143.08519	14.1
144.09305	2.6
145.08984	2.2
145.10107	44.3
147.07985	7.5
147.11668	34.6
149.09615	4.8
149.13248	11.5
155.08543	2.5
156.09290	5.0
157.10098	17.9
158.10818	1.4
159.08067	4.7
159.11661	37.1
160.12396	1.2
161.09619	9.3
161.13220	17.1
163.11179	9.0
163.14775	11.9
169.10092	4.2
170.10872	4.3
171.11644	14.3
173.09654	4.1
173.13232	28.6
175.11185	8.7
175.14764	26.8
177.09111	2.2
177.12759	4.4
177.16324	8.3
181.12242	1.4
183.11633	5.4
185.13242	11.1
187.11220	1.5
187.14789	20.8
189.12738	8.7
189.16338	49.0
191.10674	9.2
191.14308	17.9
193.12225	5.5
195.11685	2.0
197.13197	2.2
199.14766	9.6
201.12779	4.3
201.16353	35.0
203.14325	14.8
203.17920	31.8
203.19667	1.6
205.15817	1.4
207.13789	1.4
209.15390	1.5
211.13225	6.3
211.14906	4.4
213.16397	5.3
215.14297	4.5
215.17915	9.3
217.15862	5.2
217.19531	1.9
219.13594	1.2
221.15273	9.7
225.16325	1.6
227.17851	3.9
229.15866	7.6
229.19492	2.2
233.15318	1.4
233.19005	1.2
235.16869	2.4
239.16251	12.4
241.19479	4.4
243.21049	1.3
249.18428	7.6
255.21167	4.7
257.18747	1.1
261.18463	11.5
263.20062	4.9
267.21082	1.6
269.22623	2.1
301.54968	1.1
353.84915	1.2
393.31485	5.1
405.31479	10.5
423.32529	14.9
433.30603	1.3
435.32303	1.9
441.33755	9.6
447.32172	1.5
453.33450	5.1
455.31570	1.9
465.33966	1.6
483.30215	1.7
483.35349	1.4
501.35559	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	501.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40850	2.5
52.50510	2.7
54.82098	3.8
55.05503	6.2
67.05482	13.1
69.03416	3.7
69.07051	16.6
76.56893	3.0
79.05469	18.4
81.07026	36.0
83.04963	16.5
83.08588	3.8
91.05466	15.5
93.07019	37.0
95.04942	4.4
95.08578	58.5
105.07024	53.3
107.08578	55.1
109.06537	4.4
109.10119	23.9
111.11835	3.0
117.06998	6.5
119.08564	100.0
121.06561	5.9
121.10110	30.8
123.08048	4.1
123.11698	3.8
131.08546	43.1
133.10104	40.9
135.08031	4.5
135.11671	7.3
139.33282	3.0
143.08543	17.9
145.10107	56.9
147.11662	31.6
149.09628	6.9
149.13203	6.4
157.10095	25.2
159.07970	6.7
159.11649	53.0
161.09581	5.6
161.13252	24.1
163.11104	4.0
163.14783	5.8
163.36694	3.3
169.10092	6.6
171.11664	27.2
173.13177	30.4
175.14760	31.2
177.16318	4.5
183.11632	5.2
185.13274	13.1
187.14769	36.1
189.16341	34.9
191.10648	18.7
191.14349	7.0
197.13223	5.4
199.14726	3.8
201.16374	43.7
203.14287	7.5
203.18039	6.1
205.12531	3.7
213.16457	6.7
221.15395	5.4
225.16481	4.6
229.15823	14.2
231.13661	4.4
241.19580	5.3
252.04419	3.3
253.19351	4.5
255.21014	3.8
261.18466	16.3
405.31497	20.1
419.29239	4.5
423.32632	7.6
441.33524	11.9
465.33572	17.9
501.32080	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82012	1.4
55.05503	36.2
56.05840	3.7
57.03422	17.0
57.07055	15.4
58.03746	2.2
62.74524	1.9
67.05495	22.5
69.03419	2.5
69.07056	46.7
70.07381	7.0
71.08609	9.3
79.05477	17.0
81.07039	41.6
82.07374	2.2
83.04952	2.3
83.08595	24.1
84.08935	7.7
91.05466	19.3
92.08597	3.6
92.09225	8.0
93.07018	38.1
95.04970	2.4
95.08582	63.2
97.06483	7.1
97.10135	20.6
98.10480	3.5
98.98425	9.8
105.07009	46.3
107.08578	53.9
109.06503	2.7
109.10136	26.3
111.08016	3.4
111.11685	3.8
114.03056	2.1
117.07002	8.5
119.08549	72.0
121.06440	4.5
121.10116	31.4
123.08051	3.4
123.11679	8.3
129.07021	2.1
131.08549	28.6
133.10101	47.8
134.98277	1.7
135.07999	7.5
135.11687	19.2
137.13322	1.7
141.06924	1.9
142.07724	2.6
143.08533	16.8
144.09261	2.6
145.10106	43.4
147.08061	2.9
147.11650	35.4
149.13229	18.5
156.09349	2.3
157.10094	15.4
159.11697	25.4
161.09700	3.2
161.13234	24.6
162.77043	1.7
163.11180	4.1
163.14752	19.6
169.10097	3.1
171.11635	13.1
172.12456	1.9
173.09544	3.0
173.13179	19.7
175.11131	2.1
175.14764	28.5
177.12712	10.7
177.16328	27.0
183.11636	2.6
185.13184	4.4
187.11186	1.9
187.14764	38.3
189.12788	7.0
189.16328	54.3
199.14815	13.1
201.16339	31.1
203.14296	3.0
203.17897	38.0
205.15907	4.4
213.16403	10.5
213.23544	2.0
215.14365	2.7
215.17926	16.0
217.15884	7.8
221.15450	2.9
223.14783	2.1
227.17940	2.5
229.15897	4.2
229.19563	3.6
231.17340	2.9
233.15324	2.7
243.21088	2.5
247.16881	4.1
251.16216	2.7
261.18475	2.2
263.16342	6.8
265.17966	2.5
295.44977	2.0
311.25784	28.6
312.26074	72.2
375.30511	2.0
387.30591	5.9
393.31448	7.4
405.31512	15.0
423.32425	24.6
441.33548	49.7
448.25470	3.4
453.33490	100.0
465.33386	9.0
483.34491	8.8
501.35910	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	501.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13519	0.7
55.05505	18.7
56.05836	1.7
57.03426	5.5
57.07061	8.2
58.07381	1.6
67.05481	14.2
69.07050	21.6
70.07371	1.6
71.04989	0.8
71.08622	3.9
79.05474	9.5
81.07038	19.7
83.04951	1.0
83.08607	13.1
83.98038	0.8
84.08946	4.5
88.71053	0.9
91.05454	11.8
92.09056	4.3
93.07018	20.5
95.04935	1.8
95.08581	31.3
96.08964	0.9
96.47200	0.8
97.06505	3.6
97.10154	7.0
98.10460	3.1
98.98414	3.1
105.07011	24.0
107.08572	27.5
109.06503	1.9
109.10142	17.3
111.08054	3.3
111.11698	1.9
112.12064	0.9
115.05447	1.0
117.06976	5.2
119.07709	1.9
119.08557	51.0
121.06490	1.9
121.10115	18.3
123.08026	3.9
123.11685	3.9
129.06979	2.0
130.57915	0.8
131.08528	19.5
133.10112	25.7
135.08034	1.7
135.11644	12.5
137.09619	1.8
142.07776	3.7
143.08525	11.1
145.10100	30.8
147.08032	1.2
147.11664	13.4
149.13229	4.6
155.08521	1.3
156.09291	1.6
157.10094	12.0
159.08037	1.3
159.11650	22.3
161.09589	1.1
161.13225	9.5
163.11188	1.4
163.14792	3.9
169.10152	3.0
171.11639	6.5
173.13205	14.0
175.10997	1.1
175.14796	9.3
177.09119	1.8
177.12735	1.4
177.16322	1.5
183.11836	0.8
185.13269	4.8
187.14799	21.1
189.16344	21.7
191.10623	6.0
195.11530	1.0
197.13190	1.2
199.14815	6.9
201.16344	17.5
203.17931	3.7
205.15829	3.7
211.14793	1.7
213.16406	4.8
215.14384	3.3
215.17923	11.7
217.15900	4.5
221.15627	0.9
227.17815	2.1
229.15840	3.3
229.19272	0.9
232.43097	0.9
241.19507	1.6
249.18561	1.8
261.18469	5.6
267.21097	0.9
279.21021	1.6
305.97641	1.0
311.25757	14.0
312.26096	32.1
351.66766	1.0
393.31360	3.5
405.31369	5.3
423.32431	5.3
447.32254	1.0
453.33514	100.0
465.33401	3.2
468.71210	1.0
483.34503	1.4
501.35736	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	501.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44459	2.8
53.29519	3.0
55.05504	16.7
57.07064	5.0
60.11965	3.3
64.33791	3.6
67.05492	15.1
69.07056	17.4
79.05514	4.5
80.41092	3.9
81.07040	29.4
81.16626	3.3
83.08607	7.5
90.19028	3.2
91.05448	13.6
92.08749	4.0
92.09201	6.6
93.07018	35.9
95.08609	38.9
97.06493	5.2
105.07014	43.6
107.04910	3.5
107.08612	40.9
109.06537	4.3
109.10159	18.4
117.07008	5.8
119.08562	72.2
121.06509	6.2
121.10146	23.5
123.08091	6.4
131.08546	46.8
131.58846	3.4
133.10112	43.9
135.11711	5.8
143.08540	9.0
145.10088	55.9
147.08072	5.3
147.11690	25.2
149.09558	5.9
149.13303	5.3
157.10115	12.7
159.11685	42.4
161.09605	6.4
161.13272	14.8
163.11096	4.8
163.14784	9.1
171.11707	4.6
173.13211	49.0
175.14854	24.6
181.60173	3.9
185.13278	7.4
187.14809	33.7
189.16354	8.9
191.14252	53.1
199.14941	4.7
201.16367	100.0
203.14320	22.3
203.17891	5.8
205.15814	4.2
213.16418	4.9
215.17987	6.3
221.15347	25.7
229.15894	4.4
229.19659	4.4
239.16380	3.8
241.19684	3.7
261.18573	18.2
312.26141	5.1
423.32468	26.3
441.33551	25.0
464.47986	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	501.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13519	0.7
55.05505	18.7
56.05836	1.7
57.03426	5.5
57.07061	8.2
58.07381	1.6
67.05481	14.2
69.07050	21.6
70.07371	1.6
71.04989	0.8
71.08622	3.9
79.05474	9.5
81.07038	19.7
83.04951	1.0
83.08607	13.1
83.98038	0.8
84.08946	4.5
88.71053	0.9
91.05454	11.8
92.09056	4.3
93.07018	20.5
95.04935	1.8
95.08581	31.3
96.08964	0.9
96.47200	0.8
97.06505	3.6
97.10154	7.0
98.10460	3.1
98.98414	3.1
105.07011	24.0
107.08572	27.5
109.06503	1.9
109.10142	17.3
111.08054	3.3
111.11698	1.9
112.12064	0.9
115.05447	1.0
117.06976	5.2
119.07709	1.9
119.08557	51.0
121.06490	1.9
121.10115	18.3
123.08026	3.9
123.11685	3.9
129.06979	2.0
130.57915	0.8
131.08528	19.5
133.10112	25.7
135.08034	1.7
135.11644	12.5
137.09619	1.8
142.07776	3.7
143.08525	11.1
145.10100	30.8
147.08032	1.2
147.11664	13.4
149.13229	4.6
155.08521	1.3
156.09291	1.6
157.10094	12.0
159.08037	1.3
159.11650	22.3
161.09589	1.1
161.13225	9.5
163.11188	1.4
163.14792	3.9
169.10152	3.0
171.11639	6.5
173.13205	14.0
175.10997	1.1
175.14796	9.3
177.09119	1.8
177.12735	1.4
177.16322	1.5
183.11836	0.8
185.13269	4.8
187.14799	21.1
189.16344	21.7
191.10623	6.0
195.11530	1.0
197.13190	1.2
199.14815	6.9
201.16344	17.5
203.17931	3.7
205.15829	3.7
211.14793	1.7
213.16406	4.8
215.14384	3.3
215.17923	11.7
217.15900	4.5
221.15627	0.9
227.17815	2.1
229.15840	3.3
229.19272	0.9
232.43097	0.9
241.19507	1.6
249.18561	1.8
261.18469	5.6
267.21097	0.9
279.21021	1.6
305.97641	1.0
311.25757	14.0
312.26096	32.1
351.66766	1.0
393.31360	3.5
405.31369	5.3
423.32431	5.3
447.32254	1.0
453.33514	100.0
465.33401	3.2
468.71210	1.0
483.34503	1.4
501.35736	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	501.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	35.9
57.07073	16.1
67.05145	2.4
67.05489	56.8
68.01506	1.8
69.07050	46.0
71.08590	3.1
79.05464	5.0
81.07039	88.3
83.08609	36.2
92.09154	20.7
93.07021	3.7
95.08588	84.3
97.10139	30.6
106.43618	1.8
107.08558	7.6
109.10139	37.4
111.11713	12.2
111.87895	1.9
123.11682	13.0
125.13241	2.5
125.27512	2.3
137.13206	4.4
171.77570	2.0
219.06250	9.8
331.19684	2.2
373.99173	2.1
384.99069	2.0
385.08597	2.5
413.20090	2.3
429.44403	27.0
447.45438	8.2
457.36349	4.4
486.21036	2.5
501.35400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.357
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
50.16953	0.7
51.04165	0.7
54.58227	0.6
55.05496	3.4
56.61330	0.7
57.07074	1.0
59.04985	0.9
64.53094	0.6
67.05489	4.3
69.07051	5.0
72.13927	0.7
73.62263	0.7
77.73595	0.6
77.74129	0.7
79.05475	5.3
81.07044	10.1
83.04963	4.6
83.08606	3.5
85.06493	0.8
91.05467	4.5
92.08990	5.6
93.07031	10.3
95.04955	1.4
95.08575	16.6
97.06510	1.0
97.10121	0.9
101.69374	0.8
105.07026	16.8
107.08582	14.4
109.06508	1.5
109.10152	14.0
111.08076	0.9
119.08561	17.6
121.06482	1.9
121.10118	13.4
123.08053	1.9
123.11713	4.2
125.09605	0.9
131.08551	6.3
133.10114	20.5
133.11038	1.3
135.08054	3.5
135.11691	7.4
142.07785	1.1
143.08522	3.1
145.10068	9.6
147.08005	1.0
147.11688	8.1
149.09608	3.2
149.13272	5.6
151.11153	3.8
155.08673	1.1
157.10132	5.3
159.08000	1.1
159.11693	5.2
161.09587	5.1
161.13249	4.3
161.75284	0.8
163.14778	5.0
169.10193	1.2
171.11703	5.0
173.09634	1.4
173.13231	8.5
175.11115	1.2
175.14793	12.5
177.09129	1.1
177.16353	3.7
181.10020	0.9
183.11662	1.6
185.13249	1.9
187.11148	1.3
187.14777	12.7
189.12688	5.5
189.16365	23.9
191.14296	1.6
193.15959	1.0
196.12469	0.9
197.13310	3.6
199.14816	4.2
201.16467	1.9
203.14236	1.0
205.15921	1.6
211.14896	1.0
213.12875	1.0
213.16304	1.1
215.14244	8.3
215.17894	1.2
217.15753	5.5
225.16331	1.2
227.17912	1.5
231.17445	1.9
233.15356	3.6
239.17920	0.9
241.19431	1.1
243.17384	1.8
251.16417	3.9
253.19502	1.9
257.18997	1.2
271.20578	3.9
291.21164	0.9
309.22058	1.0
311.23749	1.5
335.23529	0.8
387.30191	1.1
393.31409	5.3
405.31412	12.6
423.32364	16.3
441.33432	28.7
453.33591	1.5
465.33566	5.1
483.34573	14.2
501.35675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34531	1.0
52.53913	0.9
53.00312	1.0
53.03937	1.0
55.05503	39.9
57.07072	12.1
65.03916	1.4
67.05491	79.8
69.07053	52.7
71.08598	2.9
73.97861	1.3
74.94252	1.1
79.05467	10.8
81.07036	96.2
83.08601	37.8
85.10152	1.8
91.05485	1.3
93.07013	9.8
95.08582	100.0
97.10143	37.6
102.42986	1.1
104.18238	1.1
107.08583	4.6
109.10143	51.4
111.11733	14.7
117.97575	1.5
119.08580	1.6
120.72054	1.1
121.10136	2.0
123.11687	18.7
125.13267	2.6
135.11644	5.1
137.13229	7.0
149.13168	1.6
151.14836	5.5
199.06927	1.3
219.06241	5.5
311.63364	1.4
327.13043	1.2
359.36325	1.6
373.37976	1.4
429.44495	38.4
447.45486	13.2
457.36636	2.0
457.51599	1.3
501.35449	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3207
Annotation	SCHEMBL17372672
Peak:m/z	Relative Intensity
51.28609	1.4
51.78102	1.5
55.05489	20.7
57.03408	2.5
57.07048	3.7
67.05491	18.0
69.03403	18.7
69.07053	17.5
71.01324	3.2
71.04977	1.9
73.09119	2.1
76.42355	1.7
79.05473	19.0
81.03405	1.6
81.07033	36.8
83.04964	7.6
83.08593	4.1
85.02874	11.8
91.05430	18.7
92.08794	8.3
93.07021	45.9
95.04940	10.2
95.08579	71.5
95.77215	1.9
97.02876	16.7
97.06462	3.6
98.65135	1.6
105.03373	4.3
105.07006	53.6
107.08571	57.3
109.06472	10.1
109.10141	29.7
111.04424	33.4
111.08057	2.2
115.03909	11.4
117.07001	8.4
119.04905	2.1
119.08555	100.0
121.06478	2.6
121.10116	38.3
123.11682	7.7
125.05955	1.9
128.06168	2.5
129.05478	4.0
129.06943	10.3
131.08534	27.3
133.06519	1.8
133.10110	59.1
133.11067	2.1
135.07986	3.7
135.11684	14.5
137.09621	2.6
139.21829	2.3
142.02927	1.7
142.07735	3.5
143.08549	19.5
145.10103	37.3
147.08063	2.8
147.11655	29.7
149.05968	7.7
149.09618	3.3
149.13226	14.1
153.09058	4.2
155.08485	9.7
156.09296	7.1
157.10083	23.1
158.10762	1.9
159.08002	3.5
159.11639	28.7
161.09561	4.0
161.13181	15.2
163.07483	4.4
163.14735	14.0
167.08472	2.0
168.09299	2.6
169.10089	9.2
171.11650	14.7
173.09552	4.0
173.13237	12.7
175.11180	10.7
175.14766	14.0
177.09134	2.7
177.16327	16.7
181.10042	4.2
182.63760	1.9
183.11658	12.4
185.09615	3.3
185.13235	12.1
187.11163	8.5
187.14803	21.8
189.12706	10.0
189.16310	28.4
191.17947	13.1
193.15839	3.8
197.13193	3.4
199.11121	8.9
199.14816	4.2
201.12706	8.5
201.16321	14.9
203.10577	2.5
203.17897	26.2
205.12247	2.8
205.19557	3.3
209.12999	2.6
211.11179	2.5
213.12732	8.3
213.16371	4.0
215.14250	3.6
215.17834	4.6
217.12262	4.3
229.12164	2.8
235.16681	2.5
239.17906	2.4
249.18462	2.1
284.28851	2.1
309.25671	8.0
342.03955	2.0
389.28375	2.7
402.36423	2.2
407.29379	3.9
419.29263	11.5
435.28760	9.7
437.30426	15.9
453.29745	3.9
455.31345	26.6
465.29999	4.3
467.57315	2.1
483.30771	12.3
501.31723	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47608	0.6
53.10862	0.5
55.05503	8.4
57.03424	3.6
57.07070	6.1
59.04991	1.3
61.02909	3.6
67.05494	35.2
69.03433	7.4
69.07059	4.1
70.06592	1.2
71.04978	87.5
72.08136	1.4
79.05486	3.6
81.03409	3.6
81.07039	93.5
83.08598	1.7
84.04495	0.8
85.02890	31.1
85.06535	26.2
86.09695	0.8
89.03927	0.6
92.08987	4.9
94.48045	0.6
95.04987	0.8
95.08595	8.9
97.02870	9.1
97.10160	3.2
99.08076	3.8
105.07056	0.8
107.04964	3.0
109.02871	3.0
111.08022	0.8
117.03369	1.0
122.06066	0.8
123.08080	0.8
123.11680	22.4
127.03893	4.2
135.04391	1.2
136.07576	1.6
137.05956	1.6
141.12727	100.0
145.02841	3.1
145.04958	3.3
147.04430	1.2
159.10072	0.8
159.13782	43.2
163.03914	10.3
163.05934	0.9
164.07082	3.2
167.07039	0.7
177.05408	1.5
177.14824	42.9
185.79860	0.7
279.09641	3.2
307.63959	0.7
339.11761	4.6
339.20020	2.9
374.13028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.6
55.01868	5.0
55.05504	31.3
55.42599	2.3
57.03436	3.8
57.07062	3.1
65.02493	2.9
67.05489	25.6
69.03415	25.3
69.07055	37.3
71.04980	11.7
77.32465	2.9
79.05473	39.2
81.03402	13.8
81.07041	100.0
83.04958	24.8
83.08607	15.2
85.02895	19.5
85.06523	18.9
86.09690	5.2
87.04509	3.2
91.05463	41.7
92.08718	6.4
92.09290	5.6
92.81100	2.9
93.07039	66.0
95.04945	30.5
95.08588	55.1
97.02876	13.0
97.06509	15.6
97.10127	4.2
99.08049	3.5
100.14867	2.7
105.03374	31.2
105.07011	69.5
107.04920	5.1
107.08578	61.0
108.08937	3.2
109.02852	4.0
109.06496	20.8
109.10136	37.2
111.04366	3.6
111.08084	19.2
117.07001	12.4
119.08569	56.7
121.06482	3.4
121.10126	35.3
123.08048	17.2
123.11704	17.9
125.09633	9.7
127.07571	11.0
127.11257	3.5
127.13922	2.8
131.08530	23.6
133.10095	40.5
135.08070	6.8
135.11658	17.3
137.09610	11.7
139.07510	12.3
139.11185	5.6
142.07777	4.4
143.08534	19.8
143.10654	4.1
145.02879	5.6
145.10112	43.7
147.04402	4.7
147.11655	55.4
149.09592	6.2
151.11214	13.9
156.09248	4.1
157.10098	22.6
159.07965	4.1
159.11655	25.5
161.09598	5.5
161.13249	12.4
163.11108	4.9
163.14784	3.7
165.12685	3.8
169.10074	6.1
171.11642	7.1
173.09583	3.3
173.13280	13.0
175.11215	3.9
175.14807	12.4
177.05446	6.9
183.11612	4.7
185.13237	13.8
189.09148	3.7
189.12704	4.3
199.14841	5.9
201.16225	3.9
203.14322	5.6
211.14809	4.6
217.15901	3.7
221.15312	22.9
239.16298	5.2
285.21930	6.0
299.00375	2.9
303.23111	12.0
321.24194	10.5
501.30130	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	501.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00518	1.3
51.46697	1.1
53.03933	1.4
55.01852	1.3
56.96559	3.0
57.03421	3.3
61.02906	5.8
67.05487	1.5
69.03411	16.1
69.07066	1.4
70.06572	12.0
71.04962	3.2
72.08116	1.5
73.02911	1.7
79.05460	2.0
81.03401	8.6
83.04965	2.3
84.04510	1.4
85.02887	34.0
85.06545	1.8
86.09679	1.7
87.04472	1.9
91.05442	2.1
92.09040	5.6
97.02850	14.6
98.97551	1.3
105.07046	1.6
108.08045	2.0
109.02909	3.1
111.04445	6.1
112.08710	1.8
119.04920	12.2
120.08076	5.7
122.05975	1.6
122.31744	1.2
123.76443	1.2
127.03882	6.1
127.04813	1.3
134.99686	1.7
136.07581	5.7
137.05952	27.1
138.06335	7.2
141.09171	1.8
145.04909	2.1
145.07558	1.6
146.08336	2.3
147.04391	55.2
147.09195	4.7
156.06586	2.5
157.10855	6.0
162.07925	1.4
163.03931	3.3
173.07149	2.2
174.07820	17.1
175.07199	1.3
175.08685	7.8
181.94148	1.4
183.09149	2.0
189.10254	3.0
194.09528	2.1
196.09865	11.7
197.10696	7.5
204.08867	11.0
206.08366	25.2
210.11400	2.1
211.12216	13.7
213.10158	3.3
217.09721	8.8
220.09961	6.3
221.10643	11.9
223.08604	7.6
224.09337	12.5
227.08182	2.1
237.10130	5.4
238.10919	7.7
239.08104	3.4
239.11736	41.3
241.09590	3.0
243.11272	2.4
246.13579	1.9
247.14499	2.2
252.08972	1.7
254.10542	1.7
257.12756	11.6
267.11206	86.6
271.10748	2.8
272.11539	28.3
273.11719	1.8
274.11661	2.0
275.13885	9.4
285.12268	73.4
290.12555	19.5
303.13339	92.3
321.14389	100.0
339.15552	1.8
448.32745	1.3
483.19778	11.1
501.20950	2.1
501.31418	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	501.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.6
55.01873	2.4
55.05501	1.6
56.96555	1.2
57.03427	5.6
58.47512	0.9
61.02906	6.6
63.10571	1.0
67.05499	2.3
69.03418	19.9
69.07049	2.5
70.06559	1.7
71.04965	1.7
72.08135	1.7
73.02895	5.3
81.03388	8.2
81.07021	4.8
83.04979	1.3
85.02891	41.0
85.06534	2.2
86.09737	1.3
87.04443	2.3
89.03921	1.3
92.08710	2.6
92.09309	2.3
94.06570	4.8
95.04932	1.1
95.08567	6.2
97.02871	12.4
97.06520	4.6
99.04429	2.7
105.03314	1.4
105.93504	1.1
108.08185	1.5
109.02860	5.3
110.06035	1.5
111.04419	1.9
112.07572	2.0
118.06532	5.5
120.08105	1.3
122.05988	7.3
127.03876	7.8
135.04395	2.0
136.07578	9.3
141.09099	2.2
141.12730	1.5
145.02827	4.7
145.04948	4.7
145.07584	9.1
146.05963	4.7
146.08376	5.3
147.04375	1.9
148.07480	2.5
152.07065	1.9
158.09651	1.6
159.10167	2.5
162.05618	1.3
163.03906	14.5
164.07047	7.5
173.07076	44.3
173.10722	2.6
174.07857	14.0
174.09183	1.4
174.11452	2.0
175.12279	2.3
182.09686	1.9
184.05893	1.3
184.11208	1.7
189.10194	11.5
192.06516	6.1
195.08961	1.3
196.09889	11.4
197.08466	1.6
197.10619	5.7
201.10242	7.2
202.10936	15.8
203.11748	15.7
206.08359	29.1
209.07016	2.0
210.11455	1.7
211.08626	1.7
211.12288	23.9
212.10646	1.7
213.10150	2.4
220.09909	2.9
221.10732	13.4
221.12669	2.1
223.08545	10.5
224.09372	13.5
227.08122	5.5
227.11739	1.8
228.12468	1.7
229.13370	6.9
232.12070	2.1
237.10120	2.6
238.11002	11.1
239.08080	1.5
239.11737	42.3
241.09703	1.7
244.12068	15.2
252.08868	1.8
254.10420	1.6
255.11296	1.3
257.12802	36.2
262.13052	5.8
267.11221	81.4
272.11551	6.1
275.13870	19.7
285.12277	75.9
290.12549	14.8
293.14902	2.0
303.13333	96.5
321.14398	100.0
465.18472	4.1
483.19781	4.4
501.15723	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.6
53.14241	1.1
55.01866	2.3
56.96554	2.3
57.03423	7.0
61.02913	11.2
67.05505	2.0
69.03054	1.9
69.03415	22.2
69.07053	5.8
70.06585	2.6
71.04985	1.7
73.02904	8.2
81.03396	7.6
81.07027	5.9
83.04948	1.9
84.08134	1.5
85.02892	39.0
87.72706	1.5
90.83894	1.6
91.05479	2.4
92.08950	6.7
94.06562	3.6
95.04978	2.4
95.08598	5.9
97.02848	16.4
97.06511	6.3
98.97552	1.8
99.04434	2.2
100.66589	1.5
105.03354	1.7
109.02866	5.6
112.07583	2.0
115.07545	1.7
117.03351	1.8
118.06519	1.9
119.04944	1.5
122.06001	3.6
124.07607	3.0
125.06895	1.6
127.03931	2.8
135.04402	3.6
136.07561	9.8
138.09184	1.3
140.07021	1.6
141.09091	6.5
141.12810	1.9
142.09523	1.5
143.69995	1.7
145.02861	3.5
145.04933	2.9
145.07602	7.4
146.06004	6.4
146.08385	7.5
147.04395	3.2
152.07083	3.2
158.09561	1.9
159.10181	2.0
162.05495	1.8
163.03876	19.9
164.04301	2.2
164.07056	7.3
173.07065	44.8
173.10698	2.2
174.07861	14.7
174.09119	1.5
174.11465	3.7
175.12260	2.5
177.05434	2.3
184.11223	2.9
189.10202	9.4
192.06570	3.5
194.09758	2.5
196.09950	14.6
197.10667	3.1
201.10356	2.2
202.10924	15.8
203.11745	18.0
206.08363	29.3
209.07127	3.0
210.11494	2.5
211.12257	21.7
212.15411	1.9
220.09987	3.3
221.10716	14.2
221.12665	2.4
223.08615	7.5
224.09390	13.7
227.08044	5.5
229.13374	3.1
232.12102	1.8
237.10178	6.5
237.50620	1.4
238.10974	9.1
239.08168	2.3
239.11716	42.4
241.09654	1.8
244.12105	13.9
247.14513	1.6
254.10187	1.6
255.11198	1.7
257.12814	31.5
262.13086	7.9
267.11224	72.3
272.11517	2.9
275.13904	22.8
285.12277	67.9
286.13040	1.8
290.12708	11.0
303.13321	100.0
321.14401	96.1
483.19687	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	500.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	34.3
56.88859	2.5
57.03418	19.8
57.07056	17.8
57.22207	2.7
59.04981	6.3
61.68457	2.7
66.50067	2.7
67.05492	100.0
69.07050	39.9
71.04947	3.6
71.08601	5.5
79.05467	3.8
79.26675	2.8
81.07048	23.2
81.37094	3.4
83.08611	43.8
85.06532	5.5
85.10141	4.9
85.84785	2.8
89.36028	2.7
91.05461	5.6
93.07023	5.7
95.08580	12.3
97.06528	3.5
97.10130	21.9
107.08614	5.1
109.10140	87.1
111.81088	4.0
121.10137	3.3
173.11751	22.3
198.32555	3.0
199.43770	3.0
229.14305	59.4
272.52222	3.2
280.04935	3.9
311.25726	50.2
405.36035	4.8
407.56018	3.4
465.35706	61.6
500.33176	3.5
501.34894	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	500.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
53.50398	1.5
55.01859	8.3
55.05506	48.9
57.03172	2.9
57.03430	52.9
57.07058	3.2
63.61700	1.6
65.03929	3.1
67.05490	89.6
69.03426	8.3
69.07048	29.3
71.01362	4.1
71.04961	15.4
79.05476	99.5
81.03400	99.6
81.07042	79.1
83.04968	46.9
83.08601	37.6
85.02895	39.7
85.06524	7.7
91.04890	2.1
91.05463	73.8
93.07023	100.0
95.04949	43.4
95.05534	3.3
95.08587	30.8
97.02876	2.3
97.06512	19.8
97.10162	18.7
99.08070	3.3
105.07011	45.6
107.04969	15.5
107.08581	52.8
109.06484	8.1
109.10140	15.2
111.04392	2.6
111.08076	14.2
111.72874	1.9
113.05981	2.3
115.05396	2.8
117.07007	11.1
119.08551	46.7
121.06511	4.3
121.10102	22.1
123.08070	2.6
123.11665	3.4
125.09633	3.5
129.07008	20.4
131.08502	17.8
133.06474	3.5
133.10097	24.4
135.08067	3.2
135.11671	64.1
137.09612	3.4
142.07829	3.9
143.08551	3.0
145.10054	19.7
147.08047	2.2
147.11664	23.8
149.09566	14.2
157.10095	23.4
163.11179	9.4
165.12747	3.1
175.11182	18.0
181.12149	13.9
193.12178	44.2
211.13257	61.3
255.15846	79.2
264.14789	1.9
267.15823	19.3
285.16855	43.4
352.71130	2.3
397.63754	1.8
400.17523	1.8
447.27359	38.8
465.28391	89.1
485.24619	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01857	2.1
55.05504	0.6
57.03176	0.4
57.03431	6.2
59.04975	0.3
59.09201	0.3
61.02914	10.3
67.05492	0.9
69.03413	18.1
69.08989	0.2
71.01314	0.3
71.04977	2.8
73.02906	3.6
75.47806	0.2
76.34481	0.2
79.05468	1.1
81.03401	7.9
81.07046	1.8
81.68486	0.3
83.01337	0.4
83.04973	0.3
85.02888	100.0
85.06525	0.3
87.04456	2.6
91.03929	4.9
91.05452	0.6
92.09183	1.8
93.07021	1.4
95.04958	0.5
95.08585	1.1
97.02869	23.9
97.06504	0.3
99.04433	4.2
101.02361	1.0
103.03899	0.5
105.03386	0.5
105.07008	1.9
106.83817	0.2
107.08596	1.8
109.02867	8.0
109.06472	0.3
109.10149	1.2
115.03918	0.4
117.25320	0.2
119.08575	1.8
121.10087	0.6
123.08045	0.4
123.11698	0.3
127.03888	20.8
131.08542	0.5
133.10132	1.4
135.11667	0.3
145.04938	26.7
145.10123	0.4
147.11613	0.2
149.09631	0.3
157.10129	0.3
159.11678	0.4
163.05972	10.6
187.14844	0.3
199.14917	0.4
231.30937	0.4
242.17827	0.3
321.22577	0.5
344.41382	0.3
490.48389	0.3
500.18814	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
53.72401	1.2
55.01849	2.2
55.05492	8.3
57.03411	2.1
57.07054	5.7
61.02909	3.0
65.01115	1.2
67.05495	12.1
69.03412	14.3
69.07050	11.7
79.05469	9.3
81.03372	5.6
81.07031	18.5
82.13008	1.4
83.04964	11.4
83.08600	8.3
85.02889	18.0
85.06504	1.5
86.15789	1.4
91.05444	17.8
92.08836	6.2
93.07017	22.4
95.04925	6.0
95.08583	26.4
97.02868	25.0
97.06522	1.7
97.11949	1.4
99.04432	6.2
104.10729	1.5
105.03365	1.5
105.07007	27.5
107.08573	28.6
108.09407	1.6
109.06499	6.2
109.10153	18.8
111.04379	3.3
115.05449	2.6
115.45341	1.3
117.06977	9.2
119.07717	2.2
119.08561	57.6
121.06505	2.9
121.10116	48.0
123.04393	8.0
123.08021	6.0
123.11633	2.9
127.03872	2.7
129.06964	8.2
130.07756	3.3
131.07635	2.2
131.08540	38.8
132.09322	3.4
133.10100	34.3
135.08023	8.6
135.11662	7.8
137.05928	2.1
137.09587	12.1
138.09894	1.7
138.12268	1.4
139.07458	2.1
141.06972	3.1
142.07759	7.0
143.08548	14.8
144.09305	5.2
145.06425	1.9
145.10109	82.1
146.10864	2.5
147.07994	8.5
147.11656	39.5
148.12404	5.9
149.09618	18.7
149.13219	1.9
150.10370	1.4
151.11255	1.6
155.08507	13.1
156.09282	9.7
157.10114	23.2
158.10866	6.6
159.08008	5.6
159.11652	24.5
161.06020	2.0
161.09505	9.7
161.13246	6.2
163.07574	2.0
163.11090	2.4
163.14769	5.5
165.09033	2.6
167.08585	2.4
168.09254	6.2
169.10109	12.2
170.10904	8.9
171.07971	2.5
171.11653	36.5
172.08870	2.2
172.12415	9.1
173.09549	14.8
173.13219	51.7
175.11174	18.3
175.14758	10.4
177.09041	2.4
181.10112	1.7
182.10876	3.0
183.11636	29.5
184.12434	8.7
185.09550	10.4
185.13235	11.4
186.10362	3.3
186.13948	7.1
187.07478	3.2
187.11142	9.6
187.14774	36.2
188.15553	15.1
189.09056	3.3
189.12605	5.2
191.10588	12.1
191.14200	10.6
193.10085	1.9
193.15793	1.7
195.11627	3.2
196.08670	2.4
196.12505	2.3
197.09578	5.5
197.13206	15.1
199.14806	16.3
201.09123	11.3
201.12715	21.1
201.16138	1.8
203.10614	5.2
203.14409	1.6
205.15823	19.1
206.16620	16.6
207.11726	2.4
209.13185	6.7
210.10373	2.0
211.11154	13.9
211.14796	15.3
212.11867	2.0
215.07108	1.9
215.10657	7.5
215.14153	2.1
215.17862	2.3
217.12151	5.7
225.12743	10.5
225.16336	6.5
227.14241	26.0
229.12206	20.2
234.14070	1.9
237.12601	1.8
239.14227	3.3
239.17847	16.3
243.13763	9.1
243.17400	6.9
245.15320	31.7
257.15225	1.8
257.18994	9.8
264.27539	1.5
267.17358	23.6
285.18445	100.0
303.19519	25.6
308.69504	1.5
450.07770	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44990	0.3
51.22686	0.4
55.05499	1.6
56.05035	0.5
57.03424	1.3
58.01564	0.3
58.06603	0.8
59.04987	0.8
60.08154	21.3
62.30687	0.3
62.31017	0.3
67.05492	2.8
69.03415	1.3
69.07066	1.5
70.06606	0.5
71.04981	0.6
71.07361	7.5
79.05477	1.4
81.03412	4.3
81.07030	4.0
82.87189	0.3
83.04971	1.7
83.08610	2.0
85.02889	4.3
85.06528	0.8
85.19153	0.3
86.09691	67.0
87.04533	0.3
88.04362	0.4
91.05476	2.7
92.08955	2.2
93.07035	2.2
95.04955	2.3
95.08576	1.5
97.02867	1.4
97.06522	0.5
97.10121	0.4
98.98441	3.9
99.04396	0.5
104.10726	98.0
105.03375	3.6
105.06996	1.7
106.03745	0.4
107.04944	0.5
107.08566	1.3
109.02879	0.3
111.04427	0.4
111.08060	0.7
119.08568	1.8
121.06474	0.4
121.10110	1.6
123.08078	0.5
123.11696	0.7
124.99980	40.4
127.03889	0.7
131.08563	0.7
133.10104	1.4
137.06026	0.7
139.07463	0.6
141.12680	0.4
145.04875	0.5
147.04424	0.8
147.11664	0.5
149.09573	0.5
157.10088	0.4
163.01495	0.4
167.06961	0.4
177.05444	0.6
184.07309	100.0
193.12180	0.7
207.92381	0.3
267.15744	2.0
389.17230	0.4
432.21408	5.3
450.22440	48.6
451.22433	0.4
482.24783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18129	0.2
55.05500	0.2
55.72783	0.2
56.05038	0.2
57.03437	0.4
57.07048	0.2
58.06599	0.2
59.99774	0.2
60.07856	0.4
60.08151	8.4
62.82206	0.2
67.05476	0.4
69.07037	0.4
70.06574	1.2
71.04981	0.3
71.07363	3.0
79.05470	0.3
81.03399	0.7
81.07069	0.4
83.04931	0.2
85.02891	0.4
85.06531	0.3
86.09691	42.7
91.05456	1.0
92.09165	0.4
93.07043	0.5
95.08603	0.3
97.06509	0.4
98.98454	2.7
104.10714	4.1
105.03355	0.4
107.08575	0.2
109.10131	0.2
111.04366	0.2
112.07610	0.4
119.08515	0.8
121.10107	0.3
124.99982	30.4
127.70429	0.2
129.07007	0.3
131.08560	0.2
135.04343	0.3
141.06888	0.3
143.01028	0.3
145.02792	0.2
147.04355	0.3
160.05112	0.4
161.05957	1.4
163.03865	2.7
167.08545	0.2
169.06416	0.3
173.05963	0.3
175.03918	0.3
184.07309	100.0
185.09683	0.2
187.07474	1.3
189.09091	0.8
195.08025	0.5
197.05887	0.3
201.05362	0.3
213.09030	0.5
215.07057	2.6
223.07523	0.8
241.08467	1.4
247.09566	0.3
259.09576	1.3
432.21292	1.2
450.22421	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	500.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01854	1.4
55.05495	3.5
57.03428	4.4
59.04981	0.8
67.05477	3.6
69.03411	19.2
69.07048	2.8
69.90083	0.5
71.04977	2.7
73.02896	0.7
75.04469	3.1
79.05468	18.8
81.03397	15.2
81.07033	5.7
83.04954	2.4
85.02887	11.8
85.06519	0.9
87.04468	1.3
91.05450	15.0
92.08723	1.8
92.09315	1.4
93.07019	100.0
95.01324	0.6
95.04947	5.2
95.08564	4.3
97.02864	10.2
97.06484	1.2
99.04425	3.6
103.05434	1.1
105.03369	11.3
105.04462	0.7
105.07001	12.5
107.04972	0.9
107.08566	14.0
108.08937	0.6
109.02861	8.3
109.06491	1.5
109.10130	2.6
111.04430	0.6
111.08071	5.8
116.28046	0.6
117.03297	0.6
117.05346	0.6
117.07029	0.7
119.08554	25.9
121.02898	0.6
121.06473	3.7
121.10114	79.6
121.58044	0.5
122.10427	0.7
123.04372	1.4
123.08023	3.4
123.11668	0.9
125.05946	1.1
125.09555	0.7
127.03886	5.0
129.06898	1.8
131.08534	9.3
133.07594	1.0
133.10031	0.9
133.37871	0.6
135.08055	0.8
137.02243	1.2
137.09596	1.1
139.11165	2.6
145.04941	2.6
145.10135	1.5
147.08087	0.7
149.09595	28.1
157.10123	0.9
161.09494	0.8
163.03827	0.7
164.07082	0.8
165.09090	0.9
167.03406	6.2
167.10634	10.7
169.09930	0.8
171.07884	0.6
175.11220	0.7
177.05421	0.7
189.05458	1.2
207.06519	0.9
223.50177	0.6
229.08447	2.5
233.28502	0.7
249.07326	0.6
257.11646	1.0
267.08524	1.4
275.12402	0.9
293.13690	8.5
311.14798	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	500.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.1
54.06687	0.1
56.20216	0.2
57.03423	0.2
61.76079	0.1
66.39181	0.1
69.03403	1.0
71.04966	0.2
74.86370	0.1
79.05489	0.2
81.03381	0.3
81.07021	0.3
85.02888	3.9
91.05451	0.9
92.08975	0.3
94.04156	0.8
95.04935	0.3
95.08584	1.0
97.02885	0.8
98.98462	0.4
99.04414	0.2
100.21139	0.1
105.73163	0.2
107.04915	0.3
109.02869	0.2
113.09668	0.2
119.04901	0.4
121.06482	2.2
122.03629	4.4
123.04446	0.2
123.08044	0.9
127.03923	0.4
131.04929	0.3
134.03625	0.2
135.04343	0.2
137.05957	100.0
138.06314	0.7
141.09076	1.4
144.81853	0.2
145.04951	0.4
147.04391	0.7
149.05965	5.1
151.07520	2.9
152.06209	0.3
153.06976	4.2
159.10158	0.7
163.07449	0.2
165.07031	0.2
167.07057	0.6
167.08508	0.4
170.07259	0.3
171.37396	0.2
171.90331	0.2
179.07005	0.9
180.05693	0.2
180.08591	0.2
181.06439	9.2
193.06511	0.2
195.08052	1.6
198.06763	1.4
209.05971	2.0
213.09084	6.5
221.06056	0.2
223.07451	0.2
225.09027	0.6
234.13319	0.2
241.08540	6.6
242.09387	0.7
253.08609	0.6
255.10240	0.3
260.34665	0.2
273.11157	20.5
285.11240	1.1
303.12268	1.0
355.93127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.1
55.01861	0.1
56.69926	0.1
57.03424	0.1
61.02919	0.2
64.01521	0.1
66.00521	0.1
67.05495	0.1
68.13914	0.1
69.03400	0.7
71.77044	0.1
78.56480	0.1
79.05461	0.2
81.03378	0.1
81.07027	0.3
85.02884	1.9
91.05456	0.5
92.08967	0.1
93.89825	0.1
94.04170	0.9
95.04929	0.1
95.08567	0.2
97.02862	0.7
97.06535	0.2
99.04450	0.1
107.04891	0.2
121.06463	0.9
122.03607	3.8
123.08045	0.3
127.03889	0.5
137.05948	100.0
138.06282	0.3
141.09074	0.7
145.04765	0.2
147.04359	0.1
149.05945	1.6
151.07471	0.9
153.06979	1.4
158.90338	0.1
159.10184	0.2
163.07556	0.1
167.07047	0.2
179.07018	0.8
181.06444	3.0
195.08043	0.2
198.06654	0.2
209.05946	0.5
213.09039	2.5
221.05925	0.1
223.07465	0.2
225.09093	0.2
241.08493	2.3
253.08504	0.6
273.11124	6.0
273.14090	0.2
285.11136	1.6
303.12106	1.3
309.10553	0.1
348.14099	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	499.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94641	4.4
55.05497	23.0
57.07071	4.4
67.05484	28.1
69.07050	36.1
71.04967	5.1
79.05484	19.7
80.84051	4.3
81.07033	59.9
81.50436	3.8
83.04971	7.2
83.08589	6.9
85.74029	3.9
91.05445	28.7
92.09098	12.3
93.07024	58.8
95.04921	7.2
95.08583	50.7
99.76636	4.7
105.07031	60.6
105.25323	5.0
107.04983	4.2
107.08590	63.5
109.06567	4.6
109.10130	26.0
111.07984	4.8
115.72724	4.3
117.07005	5.9
119.08564	96.1
121.06489	6.4
121.10144	41.2
123.11671	6.5
125.05917	5.6
129.07007	5.2
131.08495	39.9
133.10120	70.2
135.08060	6.8
135.11687	18.5
137.05907	5.1
143.08533	21.8
145.10120	94.3
147.11690	38.2
149.13219	5.7
156.09358	8.8
157.10126	43.6
158.10838	8.8
159.11690	51.6
161.09584	7.8
161.13205	31.3
163.11247	9.2
163.14784	7.3
169.10123	6.9
171.11638	33.0
173.09612	4.9
173.13298	39.8
175.14801	33.2
177.09030	6.3
185.13271	26.1
187.14786	53.0
189.16420	16.8
199.14748	27.0
201.16354	100.0
203.17863	6.4
211.14757	7.1
211.45479	5.4
213.16373	25.0
215.14256	8.9
215.17891	16.9
225.16246	6.2
227.17978	10.4
229.19589	8.4
247.16962	7.0
273.18536	7.2
403.29849	8.4
421.31012	26.5
439.31970	52.0
451.32111	6.1
456.18280	4.8
481.32886	18.1
499.33719	21.5
508.08362	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	499.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81649	5.9
55.05500	13.4
67.05486	25.6
69.07059	9.7
71.13996	5.0
74.51797	5.1
79.05472	33.4
81.07023	39.1
91.05460	34.0
91.82918	5.2
93.07020	54.0
95.04929	9.5
95.08578	71.8
96.08930	5.1
105.07014	79.6
107.04933	12.4
107.08554	56.7
109.10142	13.3
117.07011	12.1
119.08549	100.0
120.96648	9.1
121.06479	7.2
121.10165	27.2
125.09589	6.5
131.08524	64.8
133.10066	58.3
135.08034	8.3
135.11652	10.1
140.22589	6.5
142.07755	7.2
143.08575	31.2
145.10101	67.5
147.11658	31.4
149.13239	10.5
155.08563	9.5
157.10092	28.5
159.11668	57.2
161.09550	12.0
161.13190	23.6
169.10057	9.1
171.11688	30.9
173.13263	38.2
175.11153	7.1
175.14821	12.6
183.11755	7.9
185.13280	13.6
187.14806	33.7
189.16374	35.9
191.10519	7.5
199.14861	10.9
201.12781	8.8
201.16370	13.8
203.18091	7.3
215.17918	28.2
261.18573	8.6
391.29858	12.2
421.30963	11.6
439.31808	22.8
456.21887	36.8
499.26239	35.9
499.33905	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71721	5.1
53.21536	5.6
55.05497	11.2
55.14767	5.1
55.93764	6.0
58.28802	4.7
59.04974	4.9
60.27723	6.2
61.67161	5.2
67.05488	29.4
69.07038	20.9
70.16370	4.5
79.05457	32.8
81.07054	46.8
83.04974	6.3
83.41084	5.1
91.05447	30.3
92.09067	28.6
93.07007	44.0
95.04942	7.8
95.08597	77.0
105.03353	8.6
105.07018	92.8
107.08570	73.8
109.06483	22.1
109.10133	45.8
111.08060	5.8
119.08533	100.0
121.06448	9.7
121.10131	53.4
128.06187	7.7
129.06952	8.9
131.08575	54.4
133.10106	93.0
134.98148	5.9
135.11664	14.0
137.09586	9.4
142.07697	6.7
143.08511	46.2
145.10107	88.7
147.08003	9.9
147.11673	51.8
149.13232	10.9
155.08589	6.8
156.09323	9.1
157.10112	67.6
159.11662	71.2
161.09705	6.4
161.13213	35.3
163.11211	10.2
163.14725	5.9
169.10120	31.8
171.11636	33.7
173.13220	57.5
175.11140	7.9
175.14761	57.4
177.09111	9.9
183.11661	25.1
185.13202	37.5
187.14761	46.9
189.16310	8.9
191.14276	10.2
193.12186	6.5
197.13239	29.5
199.11284	6.1
199.14749	78.6
201.16339	53.5
203.14290	9.6
211.14835	11.8
213.16330	27.4
215.14290	21.8
215.17944	11.6
221.15405	6.4
223.14767	10.1
225.16451	7.1
227.17970	6.8
239.18143	8.2
241.19409	6.4
247.16824	8.3
251.18201	6.4
253.19492	31.9
259.16873	13.3
267.21088	8.6
273.18451	5.9
403.30167	23.8
421.30823	36.0
439.31796	28.9
445.31079	6.6
463.32037	22.8
475.71130	6.2
481.32928	20.4
499.34378	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33384	1.9
55.05505	25.8
56.05016	3.9
57.03421	5.3
57.07068	2.1
63.32543	1.9
67.05495	18.4
67.49146	1.8
68.05055	2.5
69.07039	10.8
72.08140	89.2
76.87841	2.1
79.05474	12.2
79.95779	2.1
80.04983	9.3
81.07043	35.7
82.06573	4.7
82.07348	2.1
83.04966	3.8
83.76550	2.1
84.08130	9.3
84.50904	2.0
85.03986	2.0
91.05459	13.8
92.09031	9.1
93.07012	14.1
94.06546	3.7
95.04961	23.9
95.08590	9.4
96.08126	7.9
97.06495	3.5
97.10222	2.6
98.09673	16.9
105.06996	4.7
107.08569	4.5
108.08107	22.3
109.10107	3.1
110.09662	9.3
112.73920	2.3
119.04910	9.6
119.08553	8.9
121.06585	2.1
121.10108	3.3
122.09623	5.4
123.04366	4.4
123.09141	10.5
124.11219	3.8
133.10112	4.9
134.05978	8.2
135.09128	4.1
135.11650	4.3
135.80405	2.3
136.07555	33.6
136.11125	2.7
136.93988	2.2
138.12735	4.0
143.08540	3.1
145.10036	2.5
147.04353	3.8
149.10719	2.5
150.12755	4.4
152.14307	14.9
160.07529	4.6
164.14326	33.1
165.05435	13.9
165.15074	5.0
166.12210	16.2
166.15770	3.5
172.93645	2.1
177.09093	4.7
182.08113	8.1
189.09087	14.6
189.13815	10.4
190.12173	2.6
191.15396	13.8
192.13701	4.4
202.12221	22.8
207.14975	11.4
219.10014	2.3
231.10123	4.3
235.14447	2.5
248.12704	12.3
254.19833	2.2
255.15884	2.4
256.16217	3.2
261.12436	2.5
263.21069	3.8
271.32236	2.3
283.15292	2.7
284.15341	2.7
287.28311	2.6
326.22189	4.8
345.21686	9.6
372.22873	9.4
375.19202	2.9
444.28549	27.9
463.27106	2.9
464.26956	9.0
471.29364	9.0
472.27933	100.0
476.29181	2.8
499.28915	12.1
523.07117	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10693	2.5
54.82058	2.7
55.05492	14.2
55.44050	2.3
57.07067	23.6
59.92260	2.7
69.07044	17.5
71.08602	12.1
73.06528	11.9
76.63615	2.5
79.05466	5.5
81.07042	12.5
83.08582	3.4
85.10149	4.8
89.81080	2.6
93.07016	6.9
95.08573	6.9
97.06513	3.5
97.10128	4.9
101.62389	2.9
105.06978	4.3
107.08599	5.1
108.58293	3.2
109.06510	3.4
109.10131	5.5
114.37890	2.9
119.08624	3.4
121.10141	6.2
125.05891	3.7
133.10138	5.3
137.05923	5.9
139.07500	3.6
149.09624	5.5
151.07492	12.4
161.09579	5.8
177.09071	35.5
204.82021	3.3
232.49866	3.4
244.73082	3.4
373.30890	5.1
403.35657	100.0
419.34918	5.7
421.88309	3.3
438.26315	3.5
500.96561	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	498.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67496	2.1
55.01859	2.6
55.05507	22.4
57.07071	32.6
60.73304	2.2
65.66330	2.3
67.05506	20.0
69.06724	2.6
69.07062	50.6
71.04977	43.0
71.08615	29.6
79.05459	4.6
81.07037	44.5
83.04956	3.1
83.08601	25.5
85.10183	11.1
85.61703	2.5
89.06018	6.3
92.09109	15.1
93.07011	12.2
95.08587	35.8
97.10179	23.3
99.04419	10.9
105.06985	4.2
107.04942	3.1
107.08553	5.0
109.06478	3.6
109.10121	23.5
111.08051	2.3
111.11701	10.8
118.53259	2.7
119.08525	5.2
123.11688	13.0
125.05971	100.0
125.13296	3.5
127.03909	32.9
133.10130	11.5
135.08018	4.0
135.11662	3.6
137.05971	42.9
137.13197	3.9
139.07483	3.5
147.11646	2.8
151.07635	3.2
157.10062	2.9
161.09624	11.3
161.13170	4.3
167.07005	43.1
175.11107	11.1
177.12624	2.8
189.12689	3.5
198.10394	4.9
297.06848	3.0
319.33572	4.6
337.34494	12.5
385.34555	5.3
399.36179	4.3
403.35522	37.6
427.35577	3.6
445.36743	13.1
463.37921	4.2
466.97879	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	498.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84101	1.1
55.05487	4.9
56.69374	1.0
57.07067	53.0
59.04969	1.0
67.05489	1.2
69.07058	2.6
71.08615	27.0
73.06538	7.8
81.07034	2.3
83.08585	2.2
85.10164	19.4
87.04459	5.2
89.06008	100.0
92.09067	5.7
93.07037	1.8
95.08571	2.8
97.10169	2.9
99.11702	2.0
99.82616	1.2
107.07045	5.4
111.08048	1.3
117.09129	1.7
133.08578	31.9
155.17914	2.2
177.11180	9.5
186.77670	1.2
199.20505	2.1
216.43143	1.3
221.13812	1.6
243.23135	8.2
243.94316	1.5
271.14069	1.4
287.25739	4.8
327.20047	12.9
481.37250	29.0
503.95679	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.6
55.05510	5.4
56.29513	0.3
57.03429	9.4
57.07072	0.5
58.06592	44.6
59.04978	0.4
59.07371	15.2
60.08154	13.0
67.05496	13.4
69.07056	4.3
71.04950	0.3
73.02863	0.8
75.04456	4.0
79.05483	4.0
81.06606	0.7
81.07039	14.1
83.04951	0.4
83.08584	1.6
84.08128	0.7
85.02908	2.9
87.04453	5.8
91.05424	2.5
92.09103	0.8
93.05464	0.4
93.07021	3.3
95.08116	0.4
95.08590	7.5
97.06464	0.7
97.10123	0.8
100.11279	0.5
103.03886	0.6
105.05476	0.8
105.06981	2.3
107.08553	2.6
109.10121	2.4
113.05976	0.6
119.08540	0.8
121.10124	0.7
123.11688	0.7
131.06993	2.7
133.10101	0.5
144.10185	11.4
147.11646	0.5
149.13203	0.4
162.11205	2.4
172.09145	0.4
173.85005	0.3
218.13872	0.7
236.14891	100.0
237.15186	0.6
276.49722	0.4
337.27454	0.8
390.56537	0.4
436.37842	0.5
454.99380	0.4
473.77786	0.4
480.36810	18.1
480.43765	0.7
498.37823	79.9
499.38174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58716	0.2
55.01846	0.4
55.05503	2.2
57.03426	8.2
57.07047	0.3
58.06586	31.7
58.06863	1.0
59.04980	0.2
59.07366	11.6
60.08149	9.0
60.08450	0.4
66.20494	0.2
67.05488	6.5
69.07045	2.7
73.02905	1.4
75.04457	4.6
77.14331	0.2
78.59889	0.2
79.05477	1.6
81.06604	0.3
81.07032	5.9
83.04950	0.2
83.08582	1.1
84.08098	0.3
85.02891	2.7
85.06475	0.2
85.21494	0.2
87.03950	0.3
87.04441	6.3
91.05429	0.9
92.08932	0.8
93.05476	0.4
93.07030	1.7
95.08585	4.0
97.06448	0.3
97.10143	0.3
100.11240	0.2
101.06026	0.3
101.30054	0.2
103.03894	0.9
105.05459	0.9
105.06978	0.9
107.08536	1.1
109.10098	1.1
113.05960	0.8
119.08488	0.2
121.10061	0.8
131.07008	2.0
133.10100	0.2
144.10172	8.5
147.24791	0.2
151.66127	0.2
162.11214	4.4
171.88377	0.2
190.93677	0.2
200.12718	0.3
212.64902	0.2
218.13834	0.7
236.14871	100.0
237.15118	0.3
295.82050	0.2
436.37762	0.4
480.36737	13.2
480.43649	0.4
481.36926	0.3
498.37775	55.6
499.38086	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.5
53.03938	2.1
55.01861	3.0
55.05505	21.3
57.03174	0.4
57.03429	5.7
57.07064	6.4
61.02918	9.2
67.05476	0.6
69.03416	19.7
69.07053	14.1
71.04967	2.5
71.08615	0.8
71.86160	0.3
73.02908	2.9
79.05461	0.6
81.03391	7.0
81.07039	3.3
83.01330	0.5
83.04963	0.6
83.08603	39.2
85.02888	100.0
87.04444	2.9
91.03929	4.0
91.05456	0.4
92.09083	0.5
93.06998	1.7
95.08591	0.8
97.02871	25.8
97.06540	0.5
97.10149	12.2
99.04450	4.3
101.02343	0.7
102.05235	0.4
103.03895	0.6
105.03362	0.7
105.07016	0.9
105.42707	0.4
107.08545	0.7
109.02868	7.5
109.06531	0.5
109.10143	0.6
115.03916	1.5
119.08597	0.7
122.97639	0.4
127.03883	19.5
137.05977	0.5
139.14803	2.7
141.74661	0.4
145.04936	24.0
163.05978	10.0
317.68817	0.4
325.11090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
54.81402	0.2
55.01863	0.6
55.05497	1.5
57.03430	1.3
59.28447	0.2
61.02914	0.3
67.05486	1.7
68.02625	0.2
69.03419	7.1
69.07049	1.1
71.04980	0.7
73.02909	0.4
77.03935	0.3
78.18835	0.2
79.05473	7.5
79.29702	0.3
81.03400	13.8
81.07030	3.8
82.71470	0.3
82.79025	0.2
83.04958	0.6
83.08624	0.3
84.26936	0.2
85.02890	10.9
85.29324	0.2
87.87453	0.2
91.05438	1.8
92.08868	2.0
93.07017	2.6
95.04948	6.1
95.08590	3.0
97.02872	6.1
97.06551	0.5
97.10106	0.3
99.04449	2.1
105.03375	100.0
105.07000	2.9
107.08569	1.9
108.04458	1.9
109.02869	7.0
109.06486	1.0
109.10144	1.1
119.08556	2.8
121.10165	0.4
123.04404	12.5
123.08054	0.4
123.11700	0.3
126.05513	0.3
127.03896	5.5
131.08501	0.6
133.10127	1.6
135.08051	0.3
135.11649	0.4
137.13242	0.3
143.08592	0.6
144.74623	0.3
145.04927	0.6
145.10156	0.4
147.08043	0.3
156.09396	0.3
157.10103	0.4
159.11661	0.4
161.13248	1.8
171.11746	0.4
179.14226	2.4
187.14816	0.3
197.15323	1.4
231.06493	1.1
249.07513	10.5
267.08582	20.2
297.34589	0.3
369.24863	0.3
422.82498	0.3
449.69919	0.4
471.67490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01861	0.5
55.05499	3.3
57.03423	1.4
58.66204	0.3
62.09619	0.3
62.44764	0.2
67.05492	4.9
69.03412	6.7
69.07055	3.4
70.26418	0.3
71.04983	2.9
73.02889	0.4
79.05474	10.3
81.03400	9.4
81.07037	13.5
83.04959	1.7
83.08592	3.4
85.02886	9.3
85.06525	2.8
91.05450	4.2
92.09007	2.6
93.07018	5.0
95.04936	4.6
95.08585	21.6
97.02862	5.4
97.06507	4.8
97.10139	1.5
99.04436	1.7
99.08070	1.4
101.05955	0.3
105.03374	100.0
105.07014	7.4
107.08549	2.8
109.02865	5.7
109.06499	1.3
109.10138	1.9
111.08076	0.5
113.09618	0.5
115.07545	0.3
117.07020	0.4
119.08562	12.2
121.10116	3.8
123.04401	11.9
123.08059	1.9
127.03888	4.7
127.07524	0.4
133.10101	8.0
135.11681	5.6
136.11353	0.3
137.09593	1.3
137.13208	5.6
145.04965	0.3
161.13222	26.3
179.12654	0.6
179.12967	0.3
179.14262	22.0
197.15321	5.6
215.16386	41.4
231.06477	1.0
249.07516	4.7
267.08578	9.8
323.18765	0.3
382.85034	0.3
409.39026	0.3
498.21609	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17157	0.6
53.03934	3.9
54.82187	0.7
55.01863	7.5
55.05233	0.7
55.05503	18.3
57.03428	14.2
57.07063	1.3
59.04993	0.9
61.02920	6.9
62.20284	0.7
65.03927	1.2
67.05492	19.4
69.03414	8.7
69.07066	7.6
71.04968	3.4
73.02908	4.9
73.39352	0.6
79.05469	16.0
81.03395	22.0
81.07035	14.4
82.04165	7.1
83.04955	9.7
83.08592	9.9
84.02162	0.7
84.05745	0.9
85.02887	10.6
85.06532	1.7
91.03925	0.9
91.05456	13.5
93.07018	12.4
95.04947	17.2
95.08577	8.4
97.02867	10.7
97.06515	5.3
97.10152	14.4
98.07284	6.6
99.04446	3.9
99.51073	0.7
105.03373	38.9
105.07008	9.9
106.07809	0.8
107.04955	4.3
107.08569	10.3
109.02863	5.0
109.06522	3.4
109.10144	8.0
111.04430	2.6
111.08052	3.3
113.06015	0.8
116.04689	11.1
117.06989	3.8
119.04880	0.8
119.08558	7.5
121.02831	2.8
121.06482	2.6
121.10077	5.0
123.04422	3.8
123.08047	6.5
123.11627	0.7
124.03945	2.8
125.09619	13.4
126.10565	0.6
127.03875	3.0
129.05458	32.2
129.07014	3.1
131.08548	4.9
133.10097	5.7
135.08044	2.8
135.11681	3.1
137.05962	2.7
137.09599	6.7
138.10001	0.9
139.03902	0.9
139.07585	0.6
139.11154	0.9
140.07062	0.7
143.06976	5.1
145.10133	1.6
147.04384	1.2
147.07959	1.0
147.11641	3.9
149.05951	0.9
149.09575	0.9
153.09067	1.0
157.06511	0.9
157.08589	14.8
157.10074	2.8
158.45631	0.9
163.07465	1.0
163.11177	2.6
165.09090	0.9
165.12698	0.7
167.07027	2.9
169.12210	0.8
171.10138	4.7
173.09653	0.8
175.05637	0.6
175.11192	1.7
177.05478	1.0
177.12675	0.7
185.11708	1.2
189.11182	11.1
193.12241	3.9
197.08128	0.8
199.13284	3.9
200.14081	3.4
203.06961	4.8
209.11674	1.0
227.12732	29.4
249.07512	5.1
267.08539	2.9
267.15863	1.2
283.12512	0.7
283.15158	4.6
284.15979	1.5
289.42303	0.7
301.16400	100.0
463.21524	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01864	5.3
55.05506	8.1
57.03431	10.3
59.04977	1.2
61.02916	7.2
63.06744	0.9
67.05476	4.2
69.03065	1.5
69.03416	28.7
69.07056	28.0
70.06546	0.9
71.04967	5.6
73.02898	1.7
73.37022	0.8
74.58241	0.7
75.04456	6.3
75.79392	0.9
79.05055	1.2
79.05473	23.0
81.03391	17.4
81.07046	12.7
83.04974	2.2
85.02890	99.1
85.06509	1.2
86.03221	0.9
86.09689	1.8
87.04440	4.9
91.03965	3.5
91.05456	13.1
92.09126	4.1
93.07022	100.0
95.04939	5.8
95.08589	12.3
97.02866	30.0
97.06539	1.9
97.10147	1.4
99.04432	6.8
103.05454	1.2
104.04456	0.8
105.03376	1.3
105.07003	11.7
107.04951	1.8
107.08583	20.1
109.02876	11.5
109.06522	1.1
109.10135	2.1
109.72229	0.9
110.26817	1.0
111.04408	1.6
111.08041	8.7
111.11695	21.8
115.03908	1.4
119.08572	9.6
121.06454	2.0
121.10120	92.7
123.08060	2.0
123.11695	1.4
124.99975	1.5
127.03885	21.2
127.68240	0.9
129.06880	1.1
131.08533	9.4
133.10129	1.3
135.07991	1.4
136.07593	1.7
137.05992	1.7
137.09566	1.7
139.11165	41.5
140.07063	3.9
145.04941	20.4
145.10046	1.6
149.09596	29.6
153.07637	1.1
157.12218	31.8
161.98763	1.0
163.06012	9.1
163.11241	1.2
165.09109	1.0
166.08562	0.9
167.07025	1.0
167.10654	14.9
168.06566	4.8
169.12164	1.7
184.07330	4.9
191.10611	1.3
201.67381	1.1
205.07338	0.9
216.40401	1.0
232.37431	1.0
275.12784	1.3
283.15466	2.3
293.13782	5.3
311.14822	24.8
325.11111	2.1
337.13986	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20572	1.5
54.81327	1.8
55.01852	3.1
55.05502	11.6
57.03207	2.1
57.03435	29.0
57.07057	2.3
59.04985	8.5
60.08154	3.2
61.02891	3.4
65.44008	1.7
67.05494	20.9
69.03416	100.0
69.07058	17.3
70.06576	33.3
70.31532	2.0
71.04970	9.8
72.16965	1.8
73.02907	4.2
75.04468	3.7
78.73420	1.7
79.05478	17.0
79.14241	1.7
80.58035	2.1
81.03408	15.9
81.07043	47.9
83.04971	8.7
83.08603	9.2
84.04467	4.1
85.02892	80.7
85.06525	8.3
86.09679	15.7
87.04450	62.2
91.05466	10.4
92.08939	9.9
93.07023	40.3
95.04952	27.7
95.08585	75.9
96.08871	2.1
97.02871	83.0
97.03499	3.4
97.06516	11.2
97.10152	5.0
99.04428	13.8
99.08025	2.1
100.11227	22.2
102.36917	1.9
104.10737	2.7
105.03378	18.6
105.06998	18.1
107.04930	4.9
107.08595	25.5
109.02838	14.6
109.06503	11.4
109.10148	39.6
110.07080	1.9
110.10479	2.2
111.04420	13.3
111.08109	2.3
112.07586	29.1
113.05984	8.8
115.03915	69.0
119.08577	10.2
121.06480	4.4
121.10108	18.3
121.83155	2.0
123.04441	2.4
123.08021	3.3
123.11689	40.2
124.99974	10.2
125.05917	3.8
125.09599	4.6
127.03915	15.3
129.06979	2.6
131.04909	3.7
131.08499	4.7
133.04942	62.1
133.10110	15.7
135.04414	3.2
135.08031	2.4
135.11691	8.0
136.07602	3.4
137.05965	10.5
137.09605	31.3
137.13223	2.4
138.09911	3.5
139.11192	15.5
139.20277	2.2
140.07066	9.1
143.08574	3.8
145.04939	8.3
145.10104	11.8
147.04448	9.6
147.08089	2.3
147.11687	2.5
149.05975	3.6
149.09639	10.0
151.11163	33.4
159.08072	3.4
161.05916	3.5
161.09607	3.5
163.03902	2.7
163.11154	8.7
164.07062	4.0
165.09082	14.3
167.06978	3.3
167.10715	3.4
169.04872	2.7
169.12207	66.6
173.09586	3.3
173.13226	3.0
175.07527	3.6
177.12839	3.4
179.06931	3.1
181.12288	2.1
182.15382	7.2
184.07304	32.6
187.13217	4.2
191.10716	2.8
193.12209	9.9
201.12752	3.2
203.07060	15.3
209.16518	12.0
210.14926	10.4
211.13164	5.5
219.13683	2.5
229.12175	2.5
235.13187	3.8
247.13187	4.3
253.14365	2.9
259.07919	2.6
265.14371	3.8
266.09845	2.4
283.15482	14.8
295.10165	3.8
301.16321	11.9
301.20212	2.4
310.13599	4.1
312.14612	2.1
357.22409	2.2
453.34320	24.7
498.25031	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	498.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70110	0.3
53.03931	0.6
55.01856	0.8
55.25535	0.3
57.03434	2.7
59.66381	0.3
61.02911	1.5
69.03413	5.0
70.06557	0.5
71.04984	0.4
73.02898	0.5
74.06041	0.5
74.18152	0.3
78.04675	0.6
79.05468	1.6
81.03400	1.9
83.04999	1.2
85.02894	11.2
86.09672	0.6
87.04442	0.5
88.11224	0.8
91.03919	0.6
91.05461	3.1
93.03333	0.4
93.07037	2.8
95.04942	1.9
97.02888	3.7
99.04420	0.7
103.05453	5.2
105.07023	0.7
107.04927	5.0
109.02896	1.7
109.06488	1.6
110.33611	0.4
111.04411	0.8
111.08035	0.4
117.03376	0.7
119.04913	1.6
121.02888	3.6
121.03603	0.5
121.05701	0.6
121.06495	10.7
123.04436	3.0
124.05157	0.7
127.03890	3.5
129.05481	0.8
130.06464	0.4
131.04930	6.8
133.02806	3.3
134.03603	0.8
135.04398	1.8
137.02309	8.5
137.05957	7.5
139.03882	0.8
140.04669	3.5
144.30330	0.4
145.02834	2.3
145.04924	0.7
147.04398	1.6
148.05145	2.6
149.05956	17.2
151.03961	0.6
151.07535	0.6
153.05486	1.8
155.03381	2.2
155.06999	1.7
157.03743	0.4
159.04393	5.0
163.03864	2.9
163.07413	0.4
163.52275	0.4
165.05505	3.6
166.06238	2.4
167.07010	100.0
169.36438	0.4
176.04729	0.9
177.05435	34.2
178.06190	0.5
179.07086	0.5
181.08527	1.7
182.05713	9.1
183.06464	0.9
191.06979	1.8
193.08580	0.8
194.05753	2.5
195.06493	0.6
197.08070	4.0
209.08054	19.4
211.09669	0.9
212.06848	0.7
225.07578	1.5
227.06859	0.9
227.09105	26.2
269.98416	0.5
271.11658	4.2
283.11429	0.5
285.13324	0.8
301.09476	0.7
301.12753	19.4
302.13248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
54.63817	0.1
55.01865	0.2
57.03418	0.8
61.02913	0.2
61.29379	0.2
64.07850	0.2
69.03413	6.5
71.04962	0.8
77.03905	0.8
77.93689	0.2
79.05474	5.1
79.05905	0.3
81.03399	17.2
83.01320	0.2
85.02889	7.5
91.05454	0.2
92.09061	0.7
95.04951	5.1
97.02873	8.4
99.04430	2.1
105.03374	100.0
106.03712	0.4
109.02864	8.5
119.04930	1.1
123.04400	8.9
127.03899	5.4
131.04880	0.3
137.05954	7.6
145.04942	1.2
147.04385	4.3
157.20345	0.2
179.06995	0.7
203.07312	0.2
231.06529	0.3
249.07520	17.0
267.08566	12.7
348.02521	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
52.18738	0.2
53.03939	3.9
55.01865	0.6
55.05498	0.2
57.03419	1.2
59.17036	0.2
61.02892	0.3
65.03931	0.3
67.05482	0.4
69.03411	7.5
69.07056	0.5
71.04987	1.2
73.02908	0.4
77.03909	0.5
79.05468	5.3
81.03394	17.0
81.07030	1.0
83.01295	0.2
85.02888	9.2
87.04446	0.3
89.69627	0.2
91.05462	8.8
92.09145	1.2
93.07018	2.7
94.04181	0.3
95.04950	5.9
95.08624	0.3
97.02868	11.0
97.06532	0.5
99.04450	2.7
103.05405	0.5
105.03369	100.0
107.04945	0.5
107.08594	0.3
108.04449	1.2
109.02859	8.3
109.10129	0.5
111.04431	0.3
119.04913	25.0
119.08539	0.2
121.10114	2.2
122.03617	1.9
123.04389	7.6
126.05490	0.3
127.03892	6.3
131.04922	1.9
135.04390	0.3
137.05951	86.4
139.11147	1.3
145.04935	1.5
147.04382	46.9
149.09583	0.5
151.03809	0.3
151.07503	2.0
157.12236	0.5
161.05901	0.3
163.07532	0.4
165.05437	0.4
165.09027	0.3
177.05481	0.4
179.06993	21.7
180.70120	0.3
184.07315	0.5
191.10799	0.3
197.08058	6.1
200.48666	0.3
203.07138	0.3
212.51384	0.3
215.06989	0.5
229.08466	1.0
233.08051	1.1
245.08183	0.3
249.07527	19.1
257.07971	1.2
267.08563	10.9
275.09155	0.5
278.64401	0.3
311.14780	0.6
357.22324	0.3
415.13620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
51.59418	0.1
53.03715	0.2
53.03940	3.2
55.01866	0.5
57.03418	0.8
57.22903	0.1
58.26537	0.1
60.64071	0.1
61.02913	0.3
69.03416	6.2
69.47533	0.1
70.06584	0.1
71.04973	0.9
73.02891	0.2
77.03905	0.5
79.05473	5.3
81.03402	17.1
81.07019	0.2
83.01343	0.1
85.02892	7.4
91.05460	0.7
92.08641	0.2
92.09151	0.5
95.04949	5.3
97.02871	9.3
98.28040	0.1
99.04433	2.2
103.05428	0.3
105.03374	100.0
106.03717	0.6
107.08557	0.1
109.02865	9.3
109.10107	0.1
119.04952	1.3
123.04406	9.6
127.03898	6.1
127.04815	0.3
131.04886	0.3
137.05962	6.1
137.09637	0.3
145.04915	1.2
147.04391	4.0
179.07001	0.7
195.06526	0.2
231.06589	0.2
249.07535	17.7
256.61679	0.2
267.08585	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	497.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.05500	1.4
57.03424	2.2
57.07057	1.1
61.02911	2.0
64.82803	0.8
67.05499	7.5
69.03409	13.2
69.07053	71.3
71.04959	1.7
78.21767	1.1
79.05476	5.3
81.03415	9.6
81.07038	11.0
83.04978	1.5
83.08603	1.1
85.02896	20.1
85.06519	5.2
86.09703	1.6
87.04446	1.6
91.05469	1.8
92.08610	1.3
92.09151	5.7
93.07026	7.2
94.06571	2.2
95.04939	5.2
95.08582	7.4
96.08055	1.3
97.02851	7.8
97.06520	15.5
97.95087	1.0
99.04441	2.4
105.03379	12.8
105.07015	4.3
107.08562	2.3
108.04410	1.0
109.02856	2.3
109.06517	1.5
109.10140	8.7
115.03868	1.3
119.08575	2.3
121.10124	1.7
122.06009	6.7
124.07555	1.8
125.05944	1.0
127.03888	3.8
131.65041	1.0
133.10095	1.8
135.11693	1.1
137.05943	5.0
137.09583	2.5
138.05499	6.4
140.07063	7.0
145.08856	2.5
146.09616	1.6
150.05486	75.4
157.08830	1.3
161.08360	6.7
162.09137	2.0
165.09128	1.6
166.04962	30.5
167.07050	4.3
172.11232	4.9
173.08406	1.9
174.09154	1.2
174.12778	7.5
176.03334	7.2
178.04958	2.2
185.08354	1.4
188.10570	1.1
190.12303	8.4
194.04512	1.8
200.10690	9.0
202.12288	7.3
216.10159	4.7
218.08330	1.7
218.11705	28.1
225.10130	1.0
226.08545	1.3
228.10193	18.4
229.13417	1.9
234.11195	4.3
244.09509	2.0
246.11172	18.4
255.11311	1.7
256.09851	1.5
257.09128	2.0
271.10797	6.2
272.09006	2.4
273.12253	1.8
274.10751	4.6
287.10190	7.9
289.11734	5.9
290.10010	1.3
299.10242	8.4
299.25821	1.6
317.11243	26.0
335.12296	100.0
497.17499	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	497.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.9
53.04155	0.7
55.01865	15.5
55.05503	2.0
57.03424	1.2
57.07069	17.5
59.04981	3.3
59.39413	0.9
61.19403	0.8
67.05498	10.9
69.03412	15.0
69.07052	14.2
70.02940	13.1
71.04969	5.1
72.04498	53.6
73.02900	24.2
74.02422	3.3
79.05491	0.8
81.03397	24.8
81.07059	3.0
83.04958	10.8
84.08135	0.9
85.02900	11.8
85.06535	18.2
85.74449	0.9
86.09693	9.9
87.04446	0.9
87.08090	3.9
89.03898	1.2
90.05535	48.8
91.05450	1.4
93.07032	1.6
95.04948	18.6
95.08582	4.1
96.08090	5.9
97.02870	19.2
98.02393	35.9
99.04418	9.3
99.08050	1.8
100.03960	10.2
103.03899	3.4
103.07540	5.4
107.08607	1.0
109.02869	34.9
110.05984	1.0
111.04394	0.9
112.07575	3.8
113.05986	13.4
115.03968	1.9
116.03448	32.1
116.04956	73.5
118.06516	1.5
124.07566	44.1
127.03893	21.4
130.08638	2.1
131.07047	1.8
132.06534	13.4
132.10219	0.9
138.05479	4.6
142.08614	34.2
145.04935	18.8
154.08627	1.4
156.10178	1.7
158.04401	1.1
160.09662	14.0
166.08626	6.6
169.04884	1.8
172.09630	5.7
174.11247	7.0
183.15292	0.9
184.09656	41.4
187.05986	1.8
193.08585	1.1
198.07605	4.4
199.05995	4.6
202.10712	100.0
211.09633	8.9
216.08617	7.8
217.07042	1.3
220.11760	10.8
230.10197	10.2
234.09679	10.7
262.12781	12.8
292.13821	1.3
310.12772	6.6
328.13858	55.7
332.11444	0.9
343.75519	1.0
346.14984	10.2
364.15964	19.3
367.14890	9.3
479.20096	4.8
497.20834	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	496.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	7.5
53.73900	6.0
55.05509	9.0
55.36381	6.6
57.07074	14.5
63.29023	8.1
69.03400	10.5
69.07057	14.5
71.04997	8.3
81.07037	12.8
83.08603	48.5
85.10170	8.4
89.06005	100.0
92.08633	14.5
92.09195	18.6
93.07045	14.7
95.08569	37.3
97.02866	38.9
107.08580	44.7
109.06511	12.7
109.10258	9.5
113.06026	9.9
121.10113	14.1
122.58810	7.7
123.08051	10.0
125.06011	13.2
125.09602	17.1
133.08568	13.2
135.11664	13.5
144.74890	7.8
145.10106	7.6
163.11107	9.3
165.09050	10.4
181.12180	40.6
223.13333	61.7
283.17416	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.1
53.03921	1.2
53.96278	1.0
55.01859	2.6
55.05506	28.0
57.07069	18.9
59.04998	1.3
60.49003	1.0
67.05495	12.5
69.07052	47.2
71.04983	15.2
71.08616	12.0
74.16357	1.0
79.05473	6.6
81.07036	52.0
83.08596	23.7
85.06521	1.2
85.10165	6.5
87.04433	1.9
89.06010	100.0
92.08899	12.9
93.07030	8.9
95.08582	45.0
97.06506	1.4
97.10150	18.3
99.04449	9.9
105.07052	4.1
107.07071	2.6
107.08553	7.6
109.06487	8.2
109.10139	26.8
111.04452	1.9
111.08094	2.0
111.11691	12.0
119.08576	2.4
121.10110	7.0
123.11671	13.6
125.05965	66.1
125.13226	2.6
127.03902	22.7
133.08582	32.6
133.10101	2.1
135.08011	2.7
135.11656	5.8
137.05957	74.7
137.13206	2.9
139.07475	6.4
145.10120	1.9
147.11671	2.4
149.05905	5.0
149.09659	1.3
149.13171	1.4
151.07545	2.4
151.14796	2.8
157.10132	1.4
159.11673	2.3
161.09612	1.9
161.13199	1.8
163.14796	1.6
165.09073	1.9
165.16245	1.6
167.06993	29.9
171.11656	5.2
173.13165	2.6
175.11143	2.7
177.09041	2.5
177.11235	9.6
177.12601	1.6
179.07014	1.4
183.42938	1.3
185.13106	1.6
189.12657	1.5
191.10762	1.6
193.08673	1.4
195.12086	1.4
197.09465	1.5
198.10355	2.5
205.12177	1.9
213.12714	4.7
219.13716	2.0
229.15887	1.4
253.25534	1.3
283.17471	60.0
283.20599	2.4
283.29837	4.9
317.31879	2.6
335.33057	15.6
353.34012	2.3
375.09747	1.2
383.32843	2.3
397.34610	2.1
401.34073	2.6
407.32999	1.6
416.56000	1.2
425.33890	7.4
443.35269	11.6
461.36136	26.0
479.37100	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	496.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.1
55.05502	41.4
57.07060	38.7
62.45155	6.5
65.98009	5.3
67.05492	28.0
69.07058	100.0
70.41762	6.2
71.04974	23.3
71.08618	12.7
79.05492	7.2
81.07040	77.3
83.08604	53.3
83.56427	7.2
85.10185	7.7
87.50173	5.5
89.06011	34.1
92.08622	10.7
92.09214	26.4
93.07001	25.0
94.70995	5.7
95.04957	7.7
95.08585	82.7
97.10155	36.7
105.07037	13.2
105.08199	6.6
107.08586	25.1
109.10136	42.5
111.11734	12.3
113.59731	6.4
120.65131	5.8
121.10115	23.0
123.11687	22.9
125.05965	65.7
127.03879	26.7
133.10129	10.1
135.07988	6.3
135.11685	9.5
137.05962	85.9
139.07561	27.9
145.10104	8.4
165.05457	8.9
167.07037	31.4
177.09018	51.8
193.08513	7.2
200.52345	6.7
205.12329	7.1
283.17413	11.1
375.02075	6.8
390.04037	6.4
397.29367	6.6
397.34488	8.2
425.34006	7.9
443.35037	53.4
461.36197	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52502	0.3
53.03916	0.3
54.81886	0.4
55.01845	0.3
55.05511	2.5
57.03426	9.4
57.07043	0.3
58.06589	30.7
59.07367	13.6
60.08150	10.1
66.33658	0.3
67.05494	5.0
69.07021	1.8
71.04942	0.5
71.33766	0.3
73.02878	1.1
75.04059	0.3
75.04456	5.4
78.33609	0.3
79.05470	3.9
81.07034	4.4
83.04955	0.4
83.08575	0.5
84.08134	0.4
85.02903	2.5
85.06530	0.4
87.04446	5.8
91.05419	2.1
92.09232	1.5
93.05479	0.7
93.07020	4.3
94.58411	0.3
95.04922	0.6
95.08561	3.8
97.06455	0.4
97.85879	0.3
103.03899	0.7
105.05447	1.6
105.06979	1.8
107.08591	2.6
108.41146	0.3
109.06490	0.4
109.10123	1.2
113.05960	1.3
119.08513	1.9
121.10086	1.8
123.11696	0.4
131.06975	2.1
131.08539	0.6
133.10063	1.5
135.11613	0.6
136.77769	0.3
144.09070	0.4
144.10185	8.9
145.10046	0.4
147.11584	0.8
149.13199	0.4
157.36415	0.4
159.06511	0.5
159.11574	0.5
162.11186	4.9
163.14793	0.5
201.16391	0.5
214.78497	0.3
218.13840	0.6
225.74037	0.3
236.14879	100.0
237.15263	0.4
243.79704	0.4
247.16597	0.4
434.36288	0.4
455.35333	1.3
478.35208	16.4
495.34747	0.4
496.36200	57.5
497.36530	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3393
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05483	0.3
56.05016	0.9
57.03425	0.4
57.07065	5.2
58.06589	1.2
58.14990	0.2
59.65978	0.2
60.08150	21.7
67.05474	0.9
69.07049	0.4
70.06559	0.2
71.07355	7.9
71.08615	3.2
81.07027	1.2
83.08599	0.4
85.10155	1.4
86.09686	68.9
92.09164	1.0
95.08604	2.0
97.10134	0.3
98.98437	4.5
104.10722	98.7
105.98430	0.2
109.10139	0.3
117.44110	0.2
124.99978	41.1
143.01030	0.4
163.01564	0.3
169.56148	0.2
184.07301	100.0
258.10968	0.4
313.27271	1.9
419.25391	0.3
478.32797	6.7
496.33856	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.9
57.03429	11.9
57.07066	1.6
58.06305	1.3
58.06589	38.8
58.39668	0.8
59.07367	17.0
60.08150	12.8
60.43254	0.7
67.05498	9.5
69.01883	0.8
69.07047	6.9
75.04465	5.7
79.05477	10.1
81.07035	14.2
83.08587	2.0
85.02898	1.1
85.06565	1.0
87.04457	6.2
87.05682	1.0
91.05452	7.7
93.07025	15.4
95.04961	1.9
95.08588	14.3
103.03952	0.9
105.05498	1.4
105.07010	10.6
107.08570	17.6
109.10146	12.0
117.07017	1.8
119.08563	10.0
119.26842	0.8
121.10114	15.6
123.11661	7.3
125.09637	0.8
129.89584	0.8
131.07034	1.9
131.08578	3.9
133.10110	12.7
135.11679	10.9
137.13235	4.4
144.10210	9.4
145.10052	6.0
147.11671	8.2
149.13200	5.8
151.14809	1.5
157.10138	1.7
159.11690	4.0
161.13210	3.2
162.11227	4.1
163.14757	6.0
169.10150	1.2
171.11670	1.7
173.13242	4.4
175.14804	5.6
177.16373	5.3
184.07436	1.1
185.13261	1.5
187.14845	4.5
189.16402	3.8
199.14809	1.0
201.16371	4.1
203.17960	5.2
205.15771	1.4
213.16432	1.2
214.50459	0.9
236.14883	100.0
241.19394	1.3
261.29260	0.8
276.70401	0.8
356.19983	0.9
391.33621	1.3
397.31064	3.4
409.34659	4.2
425.34256	1.0
437.34213	5.3
455.35202	18.8
478.35184	17.3
496.36252	57.7
496.43616	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86618	0.2
53.00299	0.2
53.03930	1.3
55.01860	0.5
55.05497	0.5
57.03416	1.4
57.07071	1.7
57.07290	0.2
59.04963	0.2
60.08161	0.3
60.51500	0.2
61.02913	2.3
66.41946	0.2
67.05485	3.6
69.03409	4.5
69.07053	2.2
71.04970	1.0
73.02889	1.0
79.05474	6.6
81.02956	0.3
81.03391	2.7
81.07036	100.0
83.08614	0.4
85.02887	22.5
86.09687	2.0
87.04452	0.5
91.03928	1.0
91.05442	0.5
92.08792	0.5
92.09306	0.3
92.69559	0.2
93.07017	1.3
95.04956	1.0
95.08580	13.4
97.02863	6.6
97.06482	0.3
99.04434	1.4
99.08052	0.3
103.03909	0.2
105.03374	3.2
105.07012	1.0
107.08577	1.1
109.02860	2.9
109.06493	0.4
109.10141	1.4
113.03482	0.3
115.03925	0.3
119.08570	1.3
121.10157	0.4
123.11668	1.5
125.00003	1.3
127.03888	5.2
133.10112	0.2
135.11592	0.3
137.05891	0.3
137.09590	0.3
137.13228	12.7
145.03023	0.2
145.04936	7.1
147.11627	2.2
163.05980	2.9
165.12747	0.4
184.07272	4.3
203.39009	0.2
213.42152	0.2
222.62329	0.2
267.15799	1.3
285.16818	2.5
311.82126	0.2
453.34814	0.2
473.52316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.2
57.07066	1.7
57.44770	0.2
58.06611	0.3
60.08148	9.0
70.09917	0.2
71.07350	3.1
81.07043	0.5
83.08633	0.3
86.09686	44.1
92.08818	0.8
95.08572	0.8
98.98445	3.5
104.10715	4.2
107.08611	0.3
108.15114	0.2
109.10080	0.2
124.99973	33.1
143.00992	0.4
159.11700	0.3
184.07300	100.0
204.49757	0.2
357.36359	0.3
478.32239	1.1
496.33920	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	496.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22486	0.1
53.00304	0.4
53.03934	1.6
55.01869	1.1
55.05506	1.0
57.03428	2.5
57.07064	2.6
61.02910	4.1
61.03208	0.2
65.03925	0.3
67.05488	4.6
69.03416	7.7
69.07050	5.7
69.07401	0.3
71.04967	1.1
73.02905	1.7
79.05473	7.0
79.20567	0.2
81.03401	3.0
81.07036	100.0
82.07365	0.3
83.01271	0.3
85.02886	43.1
87.04438	1.0
89.92156	0.2
91.03937	1.8
91.05447	0.2
92.09121	0.6
93.07011	0.7
95.04923	0.2
95.08582	23.8
97.02867	11.6
98.40363	0.1
99.04427	1.8
101.02380	0.2
103.03903	0.6
105.03387	0.4
105.07003	0.2
107.08563	0.2
109.02863	3.5
109.10131	1.9
115.03908	0.3
127.03898	9.3
132.59184	0.1
137.13229	15.7
145.04936	14.6
147.11684	0.2
163.03886	0.2
163.05983	6.8
203.55437	0.2
271.07928	0.3
289.08963	0.6
313.20016	0.2
325.11169	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03933	3.2
53.51772	0.2
55.01855	0.6
55.05487	2.1
57.03418	1.9
57.07060	0.4
61.02885	0.5
67.05144	0.4
67.05488	9.7
69.03410	8.0
69.07067	2.6
71.04612	0.4
71.04974	7.9
77.03871	0.4
78.26910	0.2
79.05466	13.4
80.42103	0.3
80.85577	0.3
81.03395	11.8
81.07031	17.9
83.04961	1.8
83.08595	1.8
85.02881	11.3
85.06062	0.4
85.06526	6.0
87.04474	0.3
91.05453	4.6
91.33501	0.3
92.08801	1.8
93.07015	16.8
95.04939	6.7
95.08576	14.8
97.02856	5.4
97.06498	3.9
98.59068	0.3
99.04428	2.2
99.08057	3.1
105.03367	100.0
105.06987	3.2
106.03715	0.3
107.04904	0.4
107.08569	7.3
109.02855	6.8
109.06503	1.8
109.10158	0.6
111.08046	2.6
113.05933	0.4
117.06992	4.3
119.08508	2.2
121.06483	1.5
121.10130	2.4
122.45724	0.3
122.47167	0.3
123.04404	13.0
123.08031	0.6
126.49844	0.3
127.03872	4.3
127.29033	0.3
131.08521	5.6
133.10097	7.0
135.08052	2.7
135.11656	18.2
139.07475	0.6
143.08662	0.3
145.04939	0.4
145.10112	0.4
147.11656	1.4
149.09616	0.7
149.13226	6.7
153.09067	0.7
159.11649	13.4
165.09093	0.5
165.12717	0.5
175.11127	0.4
177.12700	14.3
195.13759	10.6
213.14801	41.8
231.06535	0.7
246.32671	0.4
249.07475	5.3
267.08575	10.3
267.15933	0.6
268.16190	0.7
274.62839	0.3
333.20651	0.4
334.20676	0.3
337.97733	0.4
369.53412	0.4
391.71857	0.3
495.25882	0.6
496.25906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	2.8
53.03941	1.2
55.01855	4.4
55.05505	17.3
57.03432	7.9
57.07064	0.5
58.35539	0.4
59.04976	3.1
61.02908	4.3
64.33678	0.4
67.05486	9.6
67.50768	0.4
69.03417	5.2
69.07056	3.7
71.01318	2.1
71.04964	2.6
73.02892	2.0
79.05472	6.7
80.05785	0.5
81.03397	7.1
81.07036	17.0
83.04964	3.8
83.08601	14.4
85.02884	8.9
85.06507	3.8
86.09689	0.7
87.04448	0.8
91.03932	2.5
91.05460	19.8
93.07017	17.3
93.89709	0.5
95.04954	5.0
95.08572	7.5
97.02863	6.6
97.06504	4.0
97.10137	1.2
97.24834	0.5
99.00795	24.2
99.04436	2.7
99.08072	0.7
101.02375	0.6
103.05462	1.0
105.03381	2.1
105.07012	15.3
107.04945	6.5
107.08571	9.3
109.02864	15.3
109.06485	2.8
109.10143	6.4
111.04423	2.8
111.08073	4.5
113.05996	1.1
115.03912	3.1
115.43054	0.5
117.06994	3.8
119.04932	1.1
119.08556	9.4
121.02808	0.8
121.06481	8.1
121.10093	4.5
123.04405	1.9
123.08053	2.6
123.11630	3.7
125.09586	0.9
127.03910	3.5
128.06175	0.8
129.06961	1.1
131.08517	0.9
133.06435	3.0
133.10103	42.4
135.04378	0.6
135.08005	4.0
135.11658	3.1
137.06012	1.8
137.09573	2.7
139.03897	0.6
139.07492	4.0
139.11148	0.9
143.08531	5.4
145.06441	1.8
145.10103	1.2
147.04376	2.6
147.08057	1.9
149.09621	0.9
149.40498	0.5
151.07521	0.8
151.11162	11.8
153.06906	0.8
161.05885	0.5
161.09583	26.4
163.11176	1.1
165.05519	0.6
165.09076	1.2
167.10695	0.9
171.07979	5.0
179.10652	13.5
184.07379	0.6
189.09050	14.1
197.11684	4.6
207.10112	5.2
225.11203	14.2
243.12274	4.4
281.13739	5.3
281.16656	0.6
299.14832	100.0
313.52628	0.7
317.15833	3.0
384.89798	0.5
461.19763	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01860	0.7
55.05497	2.7
57.03430	4.4
61.02912	4.5
62.40340	0.2
66.07787	0.3
69.03413	26.5
71.04958	1.5
73.02888	1.9
79.05471	0.7
81.03393	5.2
83.04961	8.5
85.02888	21.7
86.09678	0.3
87.04429	2.0
91.03925	1.6
91.05432	1.2
92.64194	0.3
94.04163	1.9
95.04921	0.5
97.02861	4.1
99.04413	3.9
103.03910	1.5
107.04934	29.7
108.05251	0.4
109.02848	1.6
111.04414	7.8
119.04936	0.3
121.02844	1.2
122.03631	4.3
127.03911	2.9
129.05446	12.6
137.02322	14.5
137.05948	100.0
138.06236	0.3
144.80174	0.3
145.04900	2.8
147.04387	1.9
147.06494	3.8
155.03366	10.7
155.04623	0.6
163.03897	0.5
163.06024	0.5
165.07533	1.9
169.81157	0.3
192.08731	0.3
263.09314	0.3
281.10120	12.4
292.72369	0.3
299.07809	0.6
299.11145	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	496.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.01848	0.4
55.05487	1.5
57.03411	2.0
60.07870	0.4
60.08152	9.2
61.02902	0.6
67.05480	1.3
69.03407	3.6
69.07039	1.6
69.14557	0.2
71.04974	2.1
71.07360	3.9
73.02892	0.7
79.05457	1.9
81.03386	1.8
81.07024	4.5
83.04949	0.7
83.08595	1.4
85.02889	7.2
85.06512	0.7
86.09687	51.0
87.04436	1.9
91.05441	1.6
92.09023	1.9
93.07011	3.2
95.04933	1.2
95.08576	4.2
97.02859	3.7
97.06490	0.5
98.75567	0.3
98.98454	4.1
99.04425	1.4
100.11213	0.6
104.10716	5.0
105.03375	6.9
105.07009	1.9
105.07654	0.3
107.04930	0.4
107.08588	3.4
109.02853	1.6
109.06482	0.5
109.10106	2.1
111.08044	0.4
115.03910	1.8
119.08565	0.7
121.10088	2.4
123.04412	1.6
123.11651	0.7
124.99977	36.2
125.09546	0.4
127.03875	2.6
131.08510	0.5
133.04973	1.2
133.10086	1.4
135.08022	0.7
135.11682	1.3
137.09610	0.7
137.13237	1.1
145.04895	0.7
145.10120	0.3
147.04346	0.6
147.11641	1.3
149.05919	0.4
149.09740	0.4
149.13261	2.1
159.11647	0.3
161.09505	0.4
163.06017	0.6
165.09029	0.4
165.12723	0.6
167.03363	1.6
167.14253	3.7
182.15315	0.3
184.07298	100.0
189.09195	0.4
191.10582	0.3
195.06456	0.4
213.07518	1.6
229.14288	0.5
245.18611	0.3
249.07520	0.4
267.08435	0.4
342.61295	0.3
383.14917	0.3
478.21777	0.6
496.23007	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	496.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49084	0.3
53.03940	0.9
53.65231	0.3
54.81825	0.5
55.01862	2.3
57.03434	4.6
61.02916	6.5
69.03418	15.9
71.04977	1.9
72.08149	1.8
73.02892	2.3
81.03396	7.1
83.04958	1.6
85.02890	54.1
86.09708	0.9
87.04460	1.9
91.03941	3.0
95.04906	0.5
96.02090	0.6
97.02876	14.0
98.97565	0.7
99.04439	3.5
107.04945	10.4
109.02863	6.4
111.04424	6.0
113.39368	0.4
121.02844	17.3
121.06446	0.5
123.04401	0.6
127.03899	13.6
129.05446	2.5
135.04399	0.5
137.02318	100.0
137.05872	4.9
138.02669	0.5
145.04938	14.2
155.03369	86.9
163.03870	0.7
163.05974	4.4
167.06979	0.8
214.78535	0.4
281.10123	0.8
299.07928	0.9
299.11209	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	496.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01865	3.2
55.05503	0.7
57.03429	6.8
59.04971	0.4
59.59502	0.5
61.02911	10.1
65.03925	0.4
69.03416	23.7
71.04983	2.2
73.02898	4.4
77.34269	0.4
78.11499	0.3
79.05476	2.0
81.03397	9.0
81.07056	0.8
83.04964	3.2
85.02888	84.0
85.62889	0.4
86.03243	0.6
87.04449	2.8
91.03931	3.3
91.05457	17.7
93.07035	0.6
95.04971	0.8
97.02867	27.2
97.03497	0.9
99.04424	3.9
103.03916	0.9
105.06987	0.4
107.04927	3.4
107.08582	1.8
109.02866	6.8
109.06512	0.9
110.07173	1.5
111.04429	2.4
116.45920	0.4
119.04929	10.6
121.02829	1.7
121.06529	0.5
121.10139	1.8
123.08033	0.4
123.11652	0.4
124.07546	1.6
127.03883	15.9
129.05423	2.9
129.06964	0.5
131.04846	0.6
133.06487	1.0
133.10115	0.9
135.04393	2.9
137.02322	19.4
137.05952	100.0
139.03981	0.4
145.02856	0.9
145.04945	19.1
147.06511	0.8
149.05957	0.9
150.66696	0.4
151.07536	2.9
152.07047	0.6
155.03366	20.1
155.07007	10.0
161.05951	2.0
162.05489	0.6
163.03902	0.6
163.05980	6.6
165.05411	0.9
167.03310	0.5
167.07019	3.8
173.13181	0.6
175.07492	1.6
177.05417	3.4
179.06958	3.4
185.11729	0.5
191.07074	0.5
191.14163	0.5
203.06953	3.7
217.08501	0.6
221.08000	2.0
233.04613	0.6
245.04283	0.7
245.07980	2.2
251.09071	0.6
253.10669	3.5
263.05557	0.4
263.06250	0.5
263.09018	5.4
281.07074	0.6
281.10104	5.0
299.07935	0.6
299.11145	3.2
317.12189	2.4
325.11185	1.0
456.35635	0.4
496.14471	0.5
513.35938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81034	3.6
55.05498	23.4
57.07068	55.9
63.63582	3.8
66.53153	4.3
67.05496	10.6
69.07053	40.9
71.08614	28.0
73.39085	4.7
73.90983	4.2
79.05480	5.4
81.07027	29.2
83.08612	28.0
85.10169	11.5
91.05463	6.0
92.08810	16.8
93.06992	7.6
95.08569	35.5
97.10125	23.7
99.01756	4.6
105.07015	9.6
107.08540	10.7
109.06495	22.5
109.10136	9.4
111.08092	5.2
111.11726	7.2
119.08542	8.6
121.10150	11.0
123.08060	21.7
125.05977	32.7
127.07534	18.4
131.08548	6.3
135.08063	4.7
137.05963	21.6
139.07516	100.0
149.84868	4.8
151.07457	8.4
155.07066	5.2
165.09174	5.2
177.09093	6.3
211.71924	4.6
306.91678	5.0
347.33405	5.2
417.37030	5.8
445.36609	58.7
447.80405	6.7
477.39520	49.6
495.30170	5.8
495.56671	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
57.42899	1.3
59.43578	1.4
67.05494	1.9
69.07054	5.0
69.64992	1.1
71.92013	1.4
72.59287	1.3
81.07032	10.4
83.08596	1.3
89.19975	1.3
90.79638	1.3
91.05489	2.3
92.08955	2.8
93.07034	5.9
95.08601	13.2
105.06994	5.6
107.08604	8.5
109.10148	6.2
119.08556	7.5
121.10123	5.3
131.08559	3.2
133.10126	6.4
135.11751	3.1
143.08580	1.9
145.10141	5.8
147.11691	5.2
149.13263	1.7
155.71724	1.3
159.11697	2.6
161.13333	3.1
164.24779	1.4
171.11646	2.4
172.79214	1.5
173.13263	1.7
175.14801	5.7
176.38403	1.3
189.16460	1.5
201.16426	2.3
205.78825	1.6
213.16479	1.5
237.16626	1.7
273.77966	1.5
324.94760	1.8
358.14621	1.7
408.33264	2.5
453.33698	3.3
454.33969	15.1
477.34503	2.4
495.34521	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	495.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05264	1.3
55.05503	17.6
57.07063	34.7
61.58812	1.1
67.05479	8.4
69.07052	24.7
71.08611	25.6
79.05464	7.1
81.07036	21.6
83.08598	16.6
85.10151	10.5
92.08920	7.3
92.09430	1.4
93.07034	6.4
95.04953	1.6
95.08576	18.0
97.06489	3.0
97.10135	7.8
99.04439	2.4
105.07015	3.0
105.35182	1.3
107.08557	5.6
107.09203	1.3
109.06490	14.7
109.10146	10.2
111.11727	4.5
119.08575	2.6
121.10168	2.0
123.08034	12.9
123.11719	2.4
125.05960	15.9
125.09620	1.3
127.07528	23.2
133.10118	2.3
135.08008	3.0
135.11621	1.6
137.05945	3.2
137.09604	1.4
139.07513	100.0
143.81532	1.2
149.05972	6.0
149.09569	1.4
151.07509	8.0
159.11642	1.4
161.09467	1.3
163.07491	1.9
165.09064	2.3
167.07126	1.6
177.09015	9.8
187.11153	1.7
189.12665	2.2
191.10623	1.4
205.32118	1.2
232.59299	1.3
319.29865	2.4
347.33026	6.1
417.37146	7.1
428.72388	1.3
445.36703	22.6
477.39255	88.7
479.53229	1.4
496.07227	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.5
54.05867	0.8
55.01855	5.6
55.05504	32.7
55.37017	0.9
56.96544	1.2
57.03175	1.2
57.03429	22.6
57.07067	1.2
57.82904	1.0
59.04981	1.6
65.03906	1.5
65.31683	0.9
65.53716	0.9
67.05142	1.8
67.05491	47.9
68.44800	0.9
69.03408	7.1
69.07054	16.9
71.04977	9.7
76.56514	1.2
79.05473	52.5
81.03400	100.0
81.07034	59.8
83.04965	24.7
83.08604	35.2
85.02888	56.9
85.06526	5.7
87.04449	1.2
91.05461	60.1
92.09036	4.6
93.07028	33.7
95.04945	42.2
95.08585	22.7
97.02884	7.6
97.06520	7.6
97.10132	7.9
99.08068	1.8
103.05424	1.1
105.03376	9.1
105.04496	1.8
105.07014	49.5
107.04938	13.3
107.08572	15.8
109.06510	10.8
109.10169	9.3
111.04436	2.7
111.08064	11.2
113.05985	5.6
115.05443	1.9
117.07016	5.3
119.04970	1.2
119.08560	38.4
121.06460	4.7
121.10117	18.6
123.08065	7.4
123.11668	1.4
125.05964	1.3
125.09602	2.4
128.06110	1.3
129.06995	20.7
131.08553	21.3
133.06497	5.3
133.10118	20.3
133.55592	1.0
135.07953	1.3
137.09589	4.4
139.11160	1.1
142.07758	6.6
143.08540	2.0
145.06458	1.7
145.10101	5.8
147.08035	6.4
147.11650	23.2
149.09598	8.4
155.08470	1.2
157.10092	20.3
163.11200	1.3
165.09076	2.4
165.12750	2.2
175.11122	16.6
175.14723	1.1
177.48880	1.0
193.12210	45.7
197.01213	2.0
211.13246	44.8
267.15833	20.9
285.16995	9.3
367.22498	1.4
385.23825	2.1
451.26355	1.2
459.27161	14.6
477.28293	19.1
495.29431	71.6
496.29514	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.6
54.81772	0.9
55.01858	6.6
55.05503	28.8
57.03426	24.7
57.07060	1.4
59.04995	1.1
65.03934	2.0
67.05491	52.6
69.03413	7.7
69.07059	14.1
71.04979	9.3
79.04999	1.3
79.05471	51.6
81.03397	100.0
81.07034	59.8
83.04961	29.8
83.08598	31.2
85.02890	51.0
85.06532	5.5
91.05460	69.7
92.09006	5.2
93.07021	34.7
95.04945	44.4
95.08576	21.8
97.02888	5.3
97.06496	7.7
97.10132	9.0
99.08047	1.5
104.73365	1.1
105.03368	5.3
105.07014	47.7
105.07744	1.6
107.04939	13.1
107.08575	22.1
109.06488	10.9
109.10162	11.4
111.04455	2.4
111.08065	11.9
113.05988	5.1
115.05453	2.7
117.06997	6.1
119.08556	39.3
119.09392	2.1
121.06479	2.0
121.10120	16.0
123.08063	4.7
123.11713	2.6
125.09620	2.6
128.06184	1.7
129.06978	23.3
131.08546	21.3
133.06482	4.4
133.10100	24.1
135.11685	4.9
137.09612	2.6
137.59299	1.1
142.07773	7.3
143.08563	1.3
145.10117	5.7
147.04419	1.3
147.08057	4.8
147.11656	28.4
147.12737	1.7
149.09584	11.2
157.10078	24.3
159.11717	1.6
163.11197	2.0
165.12807	4.6
175.11168	17.7
193.12198	44.6
211.13246	54.5
267.15863	28.2
285.16794	9.2
317.39053	1.3
359.22028	1.5
367.22577	2.5
385.23828	4.7
424.73846	1.4
459.27255	17.0
477.28284	18.1
495.29477	75.4
496.29572	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	2.0
54.81737	2.0
55.05490	16.7
57.03411	6.8
61.05616	1.7
67.05492	26.7
68.04575	2.0
69.03378	11.8
69.07027	13.4
71.04945	4.9
79.05466	24.2
81.03394	40.3
81.07037	59.8
83.04922	11.9
83.08588	14.0
85.02895	20.1
85.06496	8.2
89.59482	1.8
91.05449	25.3
92.08862	10.0
92.09391	2.0
93.07004	25.6
94.33766	2.0
95.04934	20.9
95.08585	25.5
97.02851	3.6
97.10109	3.4
99.08038	4.7
105.02719	2.8
105.03365	63.8
105.07017	35.1
106.03659	11.9
107.04887	2.8
107.08559	20.3
109.06450	9.1
109.10094	8.4
117.06887	2.7
119.08549	43.2
120.08830	4.5
121.06403	2.8
121.10098	18.9
123.04369	10.4
123.08035	3.7
123.11684	14.1
125.09610	2.8
127.03870	3.8
129.06905	4.2
131.08499	4.3
133.10083	20.2
135.11668	4.2
137.09554	7.1
145.10060	4.3
147.07899	2.2
147.11682	26.3
149.09630	2.7
149.13194	2.8
155.08484	2.1
156.09331	2.9
157.10059	4.9
165.12665	3.6
175.11142	1.9
175.14755	15.9
176.15099	3.2
193.12054	8.9
193.15739	2.2
211.13132	4.6
211.16737	2.6
247.48294	2.4
249.07249	2.5
267.08429	8.1
267.15793	28.3
285.16736	3.8
333.20282	83.3
354.05615	1.9
459.26715	2.4
477.27856	9.9
495.25089	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	495.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59948	3.7
53.03929	7.0
54.82054	3.6
55.01864	9.0
55.05519	37.1
56.96551	7.1
57.03427	49.9
60.09880	4.0
61.02922	65.6
67.05494	77.1
69.03411	39.4
69.07049	26.2
71.39580	4.4
73.02902	37.5
79.05479	80.6
79.12045	4.1
81.03384	37.3
81.07041	80.7
83.04951	18.8
83.08617	18.2
85.02898	60.7
91.03938	11.1
91.05460	82.9
92.08817	24.0
93.07021	90.3
95.04940	27.9
95.08584	52.3
97.02877	56.8
98.97565	6.4
105.03363	9.9
105.07013	100.0
106.07355	4.9
107.04929	6.3
107.08566	58.3
109.06500	9.3
109.10136	25.1
117.06999	25.2
119.08569	83.4
121.06509	9.3
121.10121	29.8
123.08078	8.1
124.82905	4.5
127.03825	8.2
128.06184	5.6
129.06993	23.9
131.08540	48.5
133.06500	5.7
133.10094	45.1
134.10480	5.3
135.11662	18.7
141.06949	6.9
143.08559	20.4
145.10107	35.1
147.08005	5.9
147.11639	29.3
149.13264	7.9
153.56529	4.6
155.08540	5.5
157.10159	17.7
159.07986	5.3
159.11658	23.3
161.13268	7.2
169.10130	6.3
171.11606	11.1
175.14798	33.1
176.15137	17.6
181.10065	7.6
183.11673	7.3
211.14879	5.4
211.93634	5.1
259.20639	17.6
285.09970	6.8
287.25089	4.7
312.74731	4.7
333.24200	29.7
340.83630	5.4
375.25098	7.4
400.09357	4.7
403.24902	7.2
429.26480	7.4
430.14865	5.4
441.26251	21.3
450.31058	5.7
459.27637	8.9
477.28320	17.1
495.29330	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	495.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
55.01854	5.3
55.05495	3.9
57.03432	10.4
57.06861	0.6
57.07066	11.1
57.18946	0.9
58.67323	0.9
59.04996	6.3
59.05227	0.7
59.64898	0.7
60.39016	0.7
61.02921	12.1
67.05499	8.8
69.03069	1.4
69.03420	28.9
69.07065	7.3
69.07390	1.0
70.06585	0.7
71.04977	7.5
73.02903	7.2
79.05466	1.6
81.03407	15.8
81.04514	5.7
81.07037	4.6
83.01309	1.2
83.07806	0.8
83.08598	2.0
85.02892	100.0
85.06524	6.3
87.04443	4.3
91.03947	3.8
91.05449	1.6
92.08885	1.5
93.07023	4.3
95.04938	3.9
95.08585	44.3
97.02872	30.7
97.06492	3.4
99.04418	5.1
99.08077	9.0
103.03829	0.8
105.06996	1.3
106.03722	0.9
107.08559	7.3
109.02859	11.0
109.06502	13.0
109.10147	12.7
111.04476	1.0
111.08061	6.0
113.09623	34.4
115.03896	1.4
125.02354	1.0
125.09625	1.1
127.03877	18.0
127.04942	3.3
127.11171	12.0
133.04918	3.7
135.08015	1.4
135.11674	8.7
137.09540	1.0
137.13213	1.1
145.04950	14.0
151.11177	0.9
153.12712	27.4
155.14384	7.8
159.11546	0.9
163.05980	2.0
165.08983	0.9
165.72102	0.8
169.84119	1.0
171.13774	23.7
177.12714	1.6
179.05473	2.1
213.14792	5.5
267.15921	1.1
267.25418	0.9
271.09311	1.1
279.15903	1.9
297.16913	1.5
301.18771	0.9
333.19028	3.1
475.30551	1.0
495.24060	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45366	1.9
53.00293	2.5
55.05494	16.8
57.07053	11.8
62.23298	2.1
67.05492	24.2
69.07058	33.5
71.04983	5.1
71.08583	2.1
77.27943	2.7
79.05476	19.0
81.07038	44.3
81.56372	2.3
83.08586	10.0
91.05457	47.2
92.05799	4.8
92.09251	14.3
93.07023	38.8
95.08004	4.2
95.08587	86.1
97.06496	3.1
97.10150	5.0
99.08054	3.9
101.38988	2.5
105.07010	86.3
106.07289	7.4
107.08578	66.1
109.10137	51.7
111.08074	3.1
117.06978	4.4
119.08556	100.0
121.10115	64.9
123.11686	28.0
125.09648	4.5
127.11163	15.0
131.08493	13.4
133.06471	25.2
133.10107	59.9
134.06799	10.8
135.08090	43.3
135.11656	50.9
135.75612	2.8
136.08371	12.0
137.13255	4.4
143.08514	3.2
143.10632	3.5
145.10110	33.5
147.11667	64.4
149.13217	24.4
151.07555	6.2
152.07848	3.7
157.10121	4.6
159.11678	40.7
161.13228	35.4
163.14813	10.6
165.03670	12.6
166.03963	3.7
167.03198	5.4
171.11696	5.0
173.13231	18.9
175.14772	14.9
177.16364	4.0
181.04691	2.6
185.13420	2.7
187.14827	26.9
189.16356	68.4
191.17860	40.1
192.90382	3.0
198.12750	11.6
199.13115	5.0
201.16365	43.6
203.18018	24.7
207.17435	14.2
213.16406	4.5
215.17836	20.2
217.19557	10.9
233.18936	8.7
251.20023	3.8
285.51407	2.8
288.48691	2.8
295.17413	4.2
296.17487	14.0
297.16943	22.4
405.35294	4.1
423.36118	44.6
441.37213	74.5
442.37506	2.5
459.38181	4.1
494.33655	18.3
494.41794	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	494.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11974	0.4
54.15704	0.4
55.05496	0.9
57.03415	0.5
60.08150	7.2
67.05486	1.9
69.07033	1.7
71.07348	3.3
79.05444	0.7
80.39287	0.5
81.07021	3.0
81.69799	0.4
83.04931	0.5
84.49794	0.4
85.74837	0.4
86.09686	46.2
90.87445	0.5
91.05420	0.5
92.08973	0.5
93.06985	2.1
95.08575	2.9
98.00614	0.4
98.98423	2.5
104.10706	3.0
105.06994	1.1
107.08543	2.4
109.06477	0.6
109.10150	1.9
111.86070	0.5
119.08561	1.1
121.10094	2.0
124.99975	30.8
131.08519	0.7
133.10077	0.7
135.11626	0.8
145.10017	0.6
184.07297	100.0
185.07632	0.6
248.29710	0.6
259.70233	0.5
302.69437	0.5
392.42310	0.6
409.84592	0.5
453.33487	0.8
455.07242	0.6
476.31299	1.0
494.32727	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	494.3237
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
52.35480	0.9
55.05500	2.6
57.03404	1.8
57.07067	1.3
58.96755	0.8
60.08158	17.9
64.33758	1.0
65.56730	0.8
67.05473	2.0
69.07046	5.7
71.07331	6.6
79.05463	2.4
81.07050	8.6
83.08582	1.2
86.09686	69.5
91.05482	1.2
93.07007	4.2
95.08585	5.0
97.06519	1.1
98.98416	3.6
104.10725	100.0
105.06991	1.2
107.08570	6.7
109.10139	2.5
119.08527	2.4
121.10127	4.8
124.99974	42.2
133.10080	2.1
135.11703	1.9
137.67874	1.0
145.10056	1.7
147.11604	2.0
161.13254	1.1
163.14729	1.6
173.13226	1.2
184.07300	89.8
221.68881	1.1
241.19440	1.1
311.25894	1.8
395.33047	1.2
476.31079	5.2
494.25674	1.2
494.32364	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20173	2.2
55.01865	5.5
55.05506	57.5
57.03424	4.8
59.04993	2.8
59.35711	2.0
66.20439	1.8
67.05499	40.7
69.03432	3.2
69.07075	17.8
69.48389	1.8
70.43663	1.9
71.04955	4.0
79.05479	46.1
81.03431	2.8
81.07041	39.1
83.04966	3.1
83.08597	25.4
85.06514	4.1
89.93493	2.3
91.05462	50.0
93.07024	28.6
95.04936	4.8
95.08587	19.2
97.06493	2.7
97.10148	48.4
100.11258	2.3
103.05454	19.6
105.07021	41.6
107.04926	3.0
107.08582	23.4
109.06491	3.5
109.10162	5.6
111.08043	4.3
115.05437	10.2
117.06990	55.7
119.08529	16.8
125.09615	41.7
128.06175	10.0
128.13235	2.5
129.06970	28.4
131.08542	40.5
133.06476	11.0
133.10132	11.9
134.06645	2.5
135.08044	9.9
135.11662	2.2
136.67276	2.2
137.09674	2.2
141.06964	13.9
142.07730	3.0
143.08585	20.0
145.06480	14.3
145.10106	20.9
147.08015	3.2
147.11726	3.5
155.08545	20.5
156.09334	3.3
157.06467	3.7
157.10124	9.6
159.08026	4.3
159.11722	4.7
167.08568	2.7
169.10136	10.8
171.08092	4.1
171.11656	4.9
175.11107	3.0
181.10167	2.4
183.11655	3.6
187.14839	11.9
189.11195	18.5
193.10443	2.3
195.11754	4.3
197.13271	11.7
199.11201	3.0
215.14314	40.2
227.12692	22.9
233.15417	3.3
279.62115	2.5
349.21487	3.5
367.22891	16.7
385.23599	13.8
403.24734	2.7
441.26230	44.1
459.27322	100.0
477.28165	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	494.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51148	1.4
53.03925	2.4
55.05493	9.2
57.07063	3.0
62.36162	1.4
67.05479	12.5
69.03399	6.5
69.07050	12.2
71.04968	6.1
79.05476	24.9
81.03387	8.8
81.07040	25.9
82.07369	1.7
83.04958	1.7
83.08622	3.7
85.02891	6.2
85.43199	1.4
91.05455	18.1
92.09193	8.0
93.07021	34.1
95.04934	7.8
95.08585	43.2
97.02880	3.3
99.04408	2.2
99.08078	10.1
105.02785	2.3
105.03384	34.5
105.07014	80.6
106.03713	1.7
107.08581	49.3
109.02892	1.6
109.06499	14.0
109.10120	6.3
110.06835	2.0
110.10445	1.4
113.09619	3.2
117.06966	3.0
119.07716	2.7
119.08566	78.8
121.10096	9.4
123.04415	8.0
123.08069	1.7
123.11705	3.7
125.09617	2.3
127.03859	2.6
131.08522	7.7
133.10107	100.0
135.08022	6.9
135.11665	62.2
137.09615	6.2
145.10074	2.7
147.11655	8.7
149.13257	3.8
165.09100	1.6
173.13222	2.0
175.14786	83.0
193.15802	7.9
210.15555	2.6
249.07532	9.2
267.08563	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	494.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16868	0.4
53.03926	3.0
55.01856	0.6
55.05500	5.6
57.03412	1.9
57.07049	0.6
59.04972	0.5
67.05487	11.6
69.03412	8.9
69.07047	8.1
71.04959	2.2
77.03902	0.5
79.05462	9.1
81.03399	10.7
81.07024	7.1
83.04954	3.0
83.08585	3.4
85.02882	12.5
86.27885	0.5
89.47032	0.5
91.05483	4.4
92.08995	4.5
93.07016	7.1
93.14333	0.5
95.04954	5.4
95.08582	25.9
95.09203	1.0
97.02878	3.7
97.06494	0.6
97.10141	0.7
99.04426	2.0
99.41386	0.5
105.03366	100.0
105.06998	8.8
107.08569	10.7
108.73588	0.5
109.02843	6.3
109.06497	3.8
109.10137	41.0
111.08047	1.1
117.06992	1.0
119.08550	22.6
121.10113	27.7
123.04395	18.4
123.08038	9.9
123.11671	2.0
125.09579	0.6
127.03895	6.4
129.07001	0.6
131.08548	2.0
133.10095	14.0
134.97800	0.5
135.11668	29.7
137.09587	33.3
138.10448	0.7
139.11127	6.4
145.04857	0.6
145.10176	0.6
147.11638	3.1
149.13225	7.8
151.11136	0.6
151.14783	2.7
152.00174	0.5
158.46968	0.5
175.11186	0.6
175.14781	23.2
193.12270	0.9
193.15866	8.6
249.07497	12.6
267.08560	36.5
290.84213	0.6
441.22409	2.1
476.27017	0.6
489.79691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.1
53.46685	1.2
54.81441	1.5
55.05499	12.0
56.96554	2.1
57.03434	1.9
60.04402	1.4
63.67833	1.4
66.80901	1.6
67.05476	3.5
69.03399	7.8
69.07055	18.0
71.04988	1.9
72.85957	1.6
79.05473	15.2
81.03394	13.1
81.07040	17.8
83.04956	1.9
83.08610	3.8
85.02880	11.3
85.06531	2.0
91.05460	19.4
93.07024	15.0
95.04953	10.5
95.08585	16.9
97.02875	7.4
99.08061	3.2
105.03377	67.6
105.07017	28.3
106.03719	2.0
107.08598	26.2
108.08946	2.0
109.02855	3.5
109.06508	2.6
109.10146	4.1
109.41847	1.6
111.08084	1.9
117.06992	8.2
119.08567	100.0
121.06512	2.5
121.10114	9.5
123.04398	10.1
123.11692	2.7
127.03905	3.7
127.94643	1.8
131.08525	7.7
133.10109	51.7
134.10439	2.7
135.08073	2.2
135.11722	3.4
137.09592	6.6
143.08522	1.9
145.10100	2.3
147.11696	10.5
147.34286	2.1
149.09546	2.1
157.10162	3.1
175.14790	76.5
191.14348	2.2
206.12767	1.9
211.16882	3.5
249.07642	9.2
267.08609	14.3
321.36124	2.0
494.28177	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	494.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00292	0.3
53.03923	2.3
55.01842	0.8
55.05505	5.9
57.03419	1.5
57.07049	2.3
58.17401	0.4
60.49094	0.3
67.05493	4.8
68.05840	0.5
69.03413	5.2
69.06721	0.6
69.07055	12.0
71.04969	3.0
71.08614	0.4
79.05468	11.0
79.28061	0.4
80.67757	0.3
81.03393	9.3
81.07038	10.3
83.04968	0.6
83.08598	4.1
85.02895	6.3
85.06503	0.6
91.05461	8.6
92.08666	1.5
92.09300	1.9
93.07018	13.6
95.04947	6.8
95.08001	0.8
95.08580	15.8
97.02862	4.8
99.04408	1.0
99.08066	1.7
100.77715	0.4
103.05441	0.4
105.03371	62.9
105.07009	30.3
105.07740	0.5
106.03709	0.7
107.04938	0.8
107.08572	21.4
109.02859	4.2
109.06465	1.7
109.10131	4.2
113.09626	1.0
117.06996	2.3
119.08555	62.5
121.10111	5.0
123.04402	7.6
123.11658	3.4
124.16883	0.4
127.03856	3.3
129.06895	0.6
131.08519	3.6
133.10101	64.5
135.11665	21.3
137.09584	3.2
142.07686	0.6
143.08665	0.6
144.74760	0.6
145.10100	3.7
147.11658	8.2
149.13239	0.7
159.11588	0.5
160.12419	2.3
163.11061	0.6
165.09070	0.8
173.13200	1.7
175.14784	100.0
176.15126	0.6
177.16293	0.5
181.69960	0.4
183.44901	0.5
193.12259	0.4
193.15849	3.3
197.09615	0.5
249.07491	8.0
267.08557	9.6
331.21439	0.4
393.79846	0.5
476.27414	0.8
493.27618	0.5
494.28067	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44914	0.7
52.16945	0.7
52.78964	0.6
53.03942	3.0
55.01863	4.1
55.05507	7.1
57.03428	10.0
57.07062	3.3
59.04983	1.0
59.63798	0.7
61.02911	10.2
67.05483	12.8
69.03415	29.3
69.07066	5.6
70.96822	0.6
71.01340	0.8
71.04974	32.7
72.06217	0.9
73.02903	5.6
74.54237	0.8
79.05471	12.0
81.03402	15.4
81.07035	36.7
83.01345	0.8
83.04955	3.4
83.08597	10.1
83.59135	0.8
85.02888	100.0
85.06528	65.6
87.04448	4.4
91.03934	4.4
91.05455	11.0
92.08938	1.0
93.07024	34.8
95.04942	9.5
95.08578	15.6
95.33971	0.7
97.02865	31.5
97.06480	1.7
97.10172	1.0
99.04453	8.7
103.03937	5.6
105.03382	7.7
105.07008	8.4
106.03671	1.1
107.04946	3.7
107.08580	20.0
109.02850	11.6
109.06491	3.6
109.10155	8.8
111.04443	1.6
111.08057	1.6
112.05104	1.1
115.03916	3.3
119.08558	4.9
120.08097	1.0
121.06487	3.1
121.10106	7.8
123.04388	1.4
123.08044	3.1
123.11670	0.7
124.03880	1.1
125.09599	0.9
127.03887	25.6
131.08524	0.9
133.04979	3.6
133.10109	3.5
135.08031	1.9
135.11664	17.0
137.06055	1.4
137.09630	1.7
137.13193	10.5
143.08623	0.8
145.04929	24.8
145.10117	3.7
147.04379	4.2
147.08069	1.0
147.11711	1.4
149.09470	1.6
149.13203	0.9
151.99097	0.8
153.05421	1.1
153.12750	3.1
159.11725	1.4
161.09668	0.9
163.05975	8.8
163.11122	1.4
165.06966	12.0
165.09152	1.1
165.12752	1.8
167.10628	1.0
173.11758	1.1
179.05463	3.5
181.12247	1.1
183.13773	1.0
223.13254	1.4
229.14316	4.1
233.10184	4.8
247.11673	4.2
278.52771	0.9
297.16940	10.7
325.11310	1.5
409.16830	3.6
494.20712	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.01862	1.0
55.05512	5.7
56.17321	0.5
57.03418	2.0
57.17048	0.4
57.90433	0.5
60.56301	0.5
64.33277	0.5
67.05484	6.2
69.03416	8.6
69.07036	2.6
71.04978	14.2
79.05471	13.4
81.03397	14.5
81.07037	9.3
83.04955	3.5
83.08607	1.1
85.02891	11.4
85.06567	0.6
91.05458	14.8
92.08888	1.3
93.07021	16.7
95.04941	8.7
95.08574	10.3
97.02850	6.3
97.06499	2.6
97.10075	0.7
97.29935	0.6
99.04438	2.3
103.05433	1.0
105.03373	100.0
105.07011	23.3
107.08578	6.2
109.02853	5.7
109.06530	2.2
109.10149	5.8
111.08069	0.7
111.73103	0.6
113.06002	0.7
117.07018	1.3
119.08556	18.9
121.06477	2.1
121.10115	6.1
123.04391	10.5
123.08015	0.8
123.11668	0.7
125.09589	0.6
127.03910	5.0
129.06976	5.4
131.08542	11.2
133.06480	1.4
133.10103	42.7
135.11656	5.9
137.09633	2.7
142.07779	1.3
144.78978	0.5
145.10088	2.9
147.08031	3.4
147.11668	8.6
149.09596	0.9
151.07533	0.8
157.10139	6.1
159.11688	0.6
161.45871	0.5
163.11128	2.5
175.11151	17.9
175.14801	2.9
181.12181	1.2
193.12192	22.2
193.15840	0.8
211.13254	20.3
239.14279	0.8
249.07558	5.6
267.08585	10.5
272.58972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01859	2.7
57.03422	6.2
61.02913	10.6
69.03412	18.6
71.04984	2.3
73.02898	4.8
74.09702	0.4
76.56633	0.2
81.03394	8.0
83.01343	0.5
85.02886	100.0
87.04441	2.9
91.03924	4.3
92.09000	0.3
92.80643	0.2
95.04932	0.4
97.02866	29.0
99.04433	4.1
101.02371	0.4
103.03941	0.6
105.03392	2.3
105.07024	2.3
107.08554	0.5
109.02859	8.6
109.06501	0.4
115.03924	1.7
121.02840	28.6
127.03880	18.3
133.06490	2.6
137.05936	2.8
145.04933	25.6
147.04362	0.6
148.04750	0.3
153.05441	20.9
163.05971	10.1
165.09085	6.8
181.06909	0.4
248.96097	0.2
267.08521	0.5
289.09280	0.4
325.11401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71013	0.3
52.63136	0.3
53.03943	5.7
55.01865	5.7
55.05500	1.6
57.03426	4.9
59.04978	0.7
61.02912	4.2
61.06691	0.3
65.03916	0.7
67.05489	2.0
68.99773	1.8
69.03413	18.3
69.07053	1.3
71.04974	4.9
73.02904	6.2
76.12273	0.4
79.05468	2.2
80.61774	0.3
81.03395	20.5
81.07031	2.7
82.03715	0.4
83.01324	0.6
83.04965	0.6
83.08590	0.5
85.02888	36.3
85.06541	0.4
87.00809	19.8
87.04458	0.7
91.03945	1.7
91.05459	100.0
92.08969	0.8
93.07024	2.1
95.04931	1.4
95.08577	2.7
96.08916	0.4
97.02867	37.0
99.04430	9.8
104.45628	0.3
105.01853	10.6
105.03362	5.7
105.04469	0.4
105.07014	0.8
106.03699	1.4
107.04920	3.2
107.08582	1.8
109.02861	15.4
109.06475	0.5
109.10139	2.0
111.08067	0.6
115.03891	0.5
117.01832	3.6
119.04929	0.5
119.08562	1.6
121.02834	0.5
121.06470	0.4
121.10144	1.6
121.75236	0.3
122.36614	0.3
123.04398	0.7
123.07997	0.4
127.03887	23.6
129.01793	2.7
131.08565	0.6
131.58440	0.4
133.10115	1.4
135.08031	0.6
135.11711	0.4
137.09555	0.5
139.11179	0.3
145.04941	13.3
147.02888	0.5
147.11647	0.6
149.09608	0.7
151.03850	0.5
159.02849	10.0
159.11673	0.3
163.03909	0.6
163.11185	0.5
165.09146	0.6
184.07263	0.6
207.13719	0.4
229.08603	2.3
231.04903	3.0
494.26974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2793
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.02350	0.7
53.03926	3.8
55.01867	13.2
55.05502	32.0
57.03168	1.0
57.03424	14.6
57.07064	1.6
59.04977	3.4
61.59098	0.8
65.03923	1.0
67.05489	30.5
69.03401	5.6
69.07043	10.4
71.01317	0.7
71.04968	7.8
79.05466	43.9
81.03394	54.1
81.07033	36.0
83.01337	7.7
83.01746	1.0
83.04962	20.5
83.08601	20.3
85.02884	30.0
85.06508	3.2
87.04467	0.9
91.05455	35.8
92.64359	0.8
93.07016	41.9
95.04938	26.2
95.08579	16.7
97.02847	6.2
97.06495	7.5
97.10145	5.6
99.04418	1.4
105.03362	12.9
105.04472	1.5
105.07008	27.5
105.07606	1.1
107.04938	12.7
107.08576	18.5
109.02837	1.4
109.06481	7.8
109.10145	5.9
111.04417	4.3
111.08067	6.9
113.05949	1.5
115.05419	1.3
117.06992	8.9
119.04909	0.9
119.07700	1.3
119.08559	24.5
121.06477	6.0
121.10110	16.1
123.04375	1.3
123.08034	9.2
123.11671	3.1
125.05975	3.1
125.09580	3.0
129.06989	10.3
130.07718	1.3
131.08514	11.7
133.10097	10.4
135.08028	1.4
135.11659	9.4
137.09601	3.4
142.07797	1.5
143.08554	1.7
145.10086	12.0
147.08041	4.9
147.11682	9.5
149.09581	4.1
149.13274	1.1
151.11122	1.2
153.12721	3.8
155.08514	1.3
157.10104	9.7
159.11661	1.0
163.11127	14.8
165.12766	0.8
173.09637	1.1
175.11116	7.6
181.12267	1.8
191.10631	1.5
191.14264	0.8
193.12193	25.0
199.00882	0.8
209.11606	1.6
211.13234	24.2
227.12743	1.0
227.16484	1.0
249.14922	0.8
267.08698	1.2
267.15869	7.8
279.17798	0.7
283.15375	4.4
383.22070	1.7
457.26016	3.3
475.26819	9.6
493.27826	100.0
494.28186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.9
55.01867	1.4
55.02441	0.7
55.05502	13.5
57.03426	10.0
57.07061	1.8
59.95417	0.8
61.02905	7.4
65.15001	0.7
67.05489	44.0
67.05847	1.8
67.53819	0.8
69.03422	11.3
69.07051	20.4
71.04974	7.3
71.08599	1.8
72.04496	7.2
73.02885	1.9
76.98225	0.8
79.05473	41.7
81.03412	8.7
81.07039	73.9
82.09411	0.9
83.04953	6.7
83.08598	14.9
84.04507	0.9
85.02887	19.9
85.06520	6.0
91.03912	2.2
91.05457	14.7
92.08836	9.1
93.07022	64.7
94.06557	1.1
95.04948	11.7
95.08582	19.6
97.02871	8.8
97.06509	13.0
97.10150	1.8
99.04443	1.8
99.08044	2.0
102.05517	3.4
105.03374	85.2
105.07007	12.2
106.06504	1.5
107.04917	1.5
107.08576	45.7
107.09296	2.0
109.02862	4.7
109.06493	14.3
109.10120	7.2
111.08062	6.8
117.03345	4.8
117.06966	10.5
119.08571	6.2
120.08124	3.2
121.06483	3.5
121.10112	21.1
122.06014	1.3
123.04408	13.9
123.08048	1.2
123.11681	21.6
125.09627	1.8
127.03882	4.6
131.08542	13.4
133.10109	27.8
135.08025	5.2
135.11670	10.6
136.07520	1.5
141.06990	1.0
145.02838	11.7
145.10097	4.2
147.11673	7.4
149.09616	1.9
149.13237	44.0
151.11205	1.6
153.09050	2.0
154.08569	1.7
154.43048	1.0
159.11642	21.1
161.09583	1.1
161.13225	1.1
165.09102	1.2
165.12730	1.3
167.06998	1.5
173.13286	4.2
176.14395	0.9
177.05434	15.5
177.12688	12.2
179.14174	1.0
181.04932	1.1
186.12726	4.0
187.11172	1.3
189.08521	1.0
191.14250	5.1
195.12048	1.9
195.13771	36.8
204.13824	7.3
207.91779	1.0
209.15300	7.1
211.99492	1.0
213.14789	1.5
222.14758	6.7
227.16411	4.2
230.50490	1.1
231.06482	1.4
240.15894	37.4
249.07507	4.3
267.08505	12.3
269.17429	10.7
296.18506	100.0
297.18582	1.1
314.19617	20.3
349.14828	1.0
458.23584	1.9
464.08795	1.0
493.20157	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
54.93352	0.3
55.01870	0.8
55.05502	3.4
57.03432	3.5
57.07065	2.3
58.72578	0.4
59.04986	0.7
61.02890	0.6
66.08619	0.4
67.05499	5.7
68.85310	0.3
69.03415	9.9
69.07053	6.2
71.04975	2.0
77.03912	0.9
79.05471	13.5
81.02932	0.4
81.03397	11.0
81.06598	0.5
81.07038	10.2
83.04954	5.6
83.08607	3.2
85.02419	0.6
85.02892	11.4
85.06084	0.4
85.06522	3.7
85.73417	0.4
91.05462	7.2
92.08790	2.8
93.07021	15.2
95.04951	9.3
95.08002	0.8
95.08581	15.4
97.02866	7.4
97.06516	3.3
97.10172	0.9
99.04432	2.2
99.08070	7.7
101.76749	0.4
103.53362	0.4
105.03374	100.0
105.06998	9.4
106.03705	0.8
107.04941	4.5
107.08575	29.0
109.02874	6.3
109.06507	8.1
109.10141	10.7
111.08072	4.1
112.50531	0.3
115.05406	0.5
117.06998	1.8
119.08576	4.3
121.06487	9.0
121.10116	20.5
123.04402	12.2
123.08041	10.8
123.11675	3.1
125.05945	0.6
125.09589	4.9
127.03892	4.2
129.07008	0.5
131.08534	8.2
133.10109	11.3
135.08034	7.9
135.11652	4.0
137.09616	5.4
139.07506	0.8
139.11136	2.1
145.04985	0.7
145.10130	3.5
147.11696	4.4
149.09599	32.8
149.13223	10.2
151.11156	11.0
153.09093	3.8
155.22433	0.4
158.10915	2.1
161.13223	0.4
163.11064	0.7
163.14787	12.0
173.13223	9.5
191.14276	25.1
209.15332	33.3
231.06549	0.7
235.05698	0.5
247.70320	0.4
249.07524	6.5
266.63516	0.5
267.08560	11.6
267.11197	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53811	0.2
53.03940	3.8
54.65238	0.2
55.05500	1.3
56.54921	0.2
57.03428	1.6
57.07061	0.3
58.29236	0.2
59.04992	0.3
61.02918	0.5
65.03944	0.3
67.05482	1.5
69.03419	8.0
69.07050	1.4
71.01274	0.3
71.04977	3.1
77.03905	0.5
79.05473	10.1
81.03398	11.7
81.07037	1.9
83.04981	1.0
83.08569	0.5
85.02890	13.8
85.06523	0.6
91.05453	1.5
92.08967	1.1
93.07015	3.7
95.04948	46.2
95.08585	1.6
97.02869	6.6
97.06513	3.5
99.04436	8.0
99.08076	0.3
105.03374	100.0
105.06994	2.7
107.08578	4.9
109.02865	6.7
109.06496	5.6
109.10135	1.5
111.08064	1.9
115.07552	2.3
117.06987	0.3
119.04926	0.3
119.08548	1.3
121.10105	4.3
123.03519	0.5
123.04401	12.3
123.07983	0.5
123.11649	0.4
125.09571	0.9
127.03891	5.0
131.08539	1.5
133.10112	5.5
135.08028	1.5
135.11707	0.3
145.04927	1.1
145.10103	0.9
147.04385	0.6
147.11673	2.4
149.13277	0.6
151.11168	1.0
153.09081	8.9
158.10890	0.3
163.14754	1.1
165.12715	0.4
167.14278	0.4
171.10129	0.3
173.13197	2.5
191.14299	2.4
209.15335	11.6
227.16307	3.5
231.06493	0.5
249.07538	8.7
267.08560	11.6
287.05478	0.3
288.05569	0.3
289.05933	0.5
367.64847	0.2
473.91672	0.2
488.42862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
52.59079	0.2
53.03938	3.3
55.01862	1.2
55.05504	5.5
57.03426	2.3
59.04987	0.4
61.02895	0.5
64.33571	0.2
67.05496	2.4
69.03415	10.7
69.07047	1.7
69.80325	0.3
71.04976	2.2
73.02896	1.7
77.03913	0.3
79.05477	12.5
81.03407	9.6
81.07036	4.6
83.04966	9.2
83.08598	3.7
85.02891	16.0
85.06530	0.4
91.05448	1.4
92.09180	0.6
93.07027	3.3
95.04947	14.4
95.08593	3.6
97.02867	3.5
97.06497	3.1
97.10159	1.1
99.04423	3.8
99.08054	0.5
105.03374	100.0
105.06990	3.6
106.03726	0.3
107.08561	4.6
109.02851	4.9
109.06492	6.7
109.10144	3.6
111.08063	2.0
111.10970	0.3
111.11744	0.3
113.09633	0.4
115.07529	0.4
117.07012	0.5
119.08548	2.8
121.06433	0.5
121.10106	4.2
123.04406	16.3
123.08005	2.7
123.11688	2.4
125.05938	0.3
125.09649	2.0
127.03889	5.7
127.31385	0.3
131.08563	1.8
133.10104	7.0
135.08020	0.6
135.11624	0.6
140.04642	1.9
145.04907	0.5
145.10117	1.3
147.11673	4.1
149.09596	0.5
149.13249	1.6
151.11177	3.9
153.09070	3.6
155.07042	2.9
158.10823	0.3
161.13297	0.4
163.14810	0.4
165.05482	0.3
165.09036	0.4
165.12746	1.2
167.07021	0.3
167.14288	6.1
171.10205	0.5
173.13225	2.7
177.05522	0.4
181.04935	4.5
189.98186	0.3
191.14268	4.4
209.08032	0.6
209.15337	16.4
222.94823	0.3
227.09145	3.0
227.16388	6.4
231.06566	0.5
237.28424	0.3
249.07539	4.4
267.08566	15.2
317.17450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83850	0.3
52.16941	0.3
52.62667	0.2
53.03942	4.9
53.27096	0.3
55.01857	0.6
55.05492	1.6
56.25854	0.3
57.03427	1.3
67.05499	2.2
69.03417	6.7
69.07051	0.7
71.04966	0.7
77.03917	0.3
79.05472	5.3
81.03404	18.9
81.07033	1.3
83.04948	0.6
85.02889	6.2
91.05463	1.5
92.08743	1.2
93.07024	2.2
95.04944	7.1
95.08576	1.3
97.02870	12.2
99.04456	3.6
105.03378	100.0
105.07013	1.9
107.08562	1.9
109.02873	9.5
109.06474	0.4
109.10134	1.6
116.53667	0.3
119.08576	0.6
121.06531	0.4
121.10107	1.6
123.04415	7.5
123.08029	0.3
127.03903	6.2
129.07027	0.3
131.08566	0.5
133.10205	0.4
135.08020	0.4
135.11691	0.4
145.04959	1.4
145.10085	0.7
159.29868	0.3
163.52899	0.3
165.09062	0.3
188.80005	0.3
189.05434	0.3
191.14311	0.4
231.06287	0.3
249.07544	23.1
267.08578	7.4
424.55023	0.3
493.27539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1702
Annotation	Monnieraside II
Peak:m/z	Relative Intensity
53.03935	3.7
55.01855	1.7
55.05508	0.6
56.74878	0.4
57.03412	2.1
59.04971	1.0
60.09082	0.3
61.02912	0.6
67.05482	1.8
69.03412	9.1
69.07048	0.8
69.45528	0.4
71.04967	0.7
73.02881	0.6
79.05479	9.7
81.03394	11.4
81.07044	3.3
83.04945	0.9
85.02889	15.8
85.06525	1.0
86.09719	0.6
87.04436	0.8
91.05462	3.0
92.08755	1.6
93.07024	3.1
95.04945	10.9
95.08592	3.0
96.95710	0.4
97.02867	6.4
99.04436	2.1
103.03923	0.8
103.05452	1.6
105.03372	100.0
105.06998	6.2
106.02905	1.9
106.03693	2.0
107.04918	1.0
107.08563	5.4
108.08903	0.7
109.02855	6.0
109.06528	0.8
109.10155	1.0
114.37799	0.4
115.05432	0.8
117.06999	0.7
119.04842	0.4
119.08549	1.8
121.06471	2.2
121.10122	2.8
123.04401	14.0
123.08050	1.8
124.03938	9.0
125.04269	1.8
125.09586	1.9
127.03895	5.9
131.04912	2.1
131.08545	0.9
133.06464	2.3
133.10080	3.0
135.08014	1.0
135.11664	0.8
137.05960	1.9
137.09550	1.5
145.02805	0.4
145.04955	1.7
145.06467	1.6
145.10197	0.6
147.04364	0.6
149.05963	2.3
151.03888	0.6
151.07568	0.7
151.11148	0.6
159.04367	0.6
159.11626	0.5
160.05174	0.6
161.05966	2.2
161.09474	0.5
161.13261	0.4
163.03896	0.5
163.07465	0.5
165.05472	0.9
165.06894	0.5
167.06996	18.6
173.05936	1.0
173.13289	0.4
177.05403	6.2
181.04965	0.6
181.08582	0.6
188.04565	0.7
190.06274	0.5
191.07094	0.7
191.14301	2.2
193.08589	2.3
205.08592	2.4
206.05586	0.7
207.06567	0.8
209.08075	0.8
221.08105	2.4
232.61182	0.4
233.08128	0.6
249.07527	6.6
251.08968	1.0
267.08575	9.3
268.08212	0.6
275.08981	0.5
286.09149	2.7
295.22626	0.6
303.04938	1.9
316.05862	0.5
331.07990	0.7
449.17224	0.5
492.21481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
55.01855	1.7
55.05508	0.6
56.74878	0.4
57.03412	2.1
59.04971	1.0
60.09082	0.3
61.02912	0.6
67.05482	1.8
69.03412	9.1
69.07048	0.8
69.45528	0.4
71.04967	0.7
73.02881	0.6
79.05479	9.7
81.03394	11.4
81.07044	3.3
83.04945	0.9
85.02889	15.8
85.06525	1.0
86.09719	0.6
87.04436	0.8
91.05462	3.0
92.08755	1.6
93.07024	3.1
95.04945	10.9
95.08592	3.0
96.95710	0.4
97.02867	6.4
99.04436	2.1
103.03923	0.8
103.05452	1.6
105.03372	100.0
105.06998	6.2
106.02905	1.9
106.03693	2.0
107.04918	1.0
107.08563	5.4
108.08903	0.7
109.02855	6.0
109.06528	0.8
109.10155	1.0
114.37799	0.4
115.05432	0.8
117.06999	0.7
119.04842	0.4
119.08549	1.8
121.06471	2.2
121.10122	2.8
123.04401	14.0
123.08050	1.8
124.03938	9.0
125.04269	1.8
125.09586	1.9
127.03895	5.9
131.04912	2.1
131.08545	0.9
133.06464	2.3
133.10080	3.0
135.08014	1.0
135.11664	0.8
137.05960	1.9
137.09550	1.5
145.02805	0.4
145.04955	1.7
145.06467	1.6
145.10197	0.6
147.04364	0.6
149.05963	2.3
151.03888	0.6
151.07568	0.7
151.11148	0.6
159.04367	0.6
159.11626	0.5
160.05174	0.6
161.05966	2.2
161.09474	0.5
161.13261	0.4
163.03896	0.5
163.07465	0.5
165.05472	0.9
165.06894	0.5
167.06996	18.6
173.05936	1.0
173.13289	0.4
177.05403	6.2
181.04965	0.6
181.08582	0.6
188.04565	0.7
190.06274	0.5
191.07094	0.7
191.14301	2.2
193.08589	2.3
205.08592	2.4
206.05586	0.7
207.06567	0.8
209.08075	0.8
221.08105	2.4
232.61182	0.4
233.08128	0.6
249.07527	6.6
251.08968	1.0
267.08575	9.3
268.08212	0.6
275.08981	0.5
286.09149	2.7
295.22626	0.6
303.04938	1.9
316.05862	0.5
331.07990	0.7
449.17224	0.5
492.21481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.7
55.01864	4.7
55.05488	0.8
57.03419	1.0
61.02924	0.5
64.07185	0.4
65.03923	1.9
67.05495	0.8
69.03410	9.1
69.99290	0.4
71.04977	0.6
73.02485	0.8
73.02896	23.9
78.42116	0.4
79.05474	6.8
81.03394	16.4
81.07030	1.0
85.02889	9.0
91.05409	0.6
93.07016	2.7
95.04390	0.9
95.04947	13.0
95.08552	0.6
97.02881	7.8
97.06499	1.7
99.04422	3.0
105.03372	100.0
105.04523	3.1
105.07030	2.1
107.04931	0.5
107.08593	0.6
109.02872	4.9
109.06481	1.0
109.10149	0.8
110.03631	0.8
111.08037	0.5
121.10123	1.0
123.04405	15.5
123.08050	0.8
125.02327	0.7
125.05959	0.5
127.03851	3.9
131.08517	0.5
133.10117	2.6
135.08049	0.6
140.04659	38.0
142.02654	0.6
147.11676	1.7
153.05399	1.5
153.09084	1.0
155.07005	44.2
163.03886	0.7
165.12802	0.9
167.06963	0.7
171.06516	2.7
173.08098	3.0
173.13277	0.5
179.07008	2.3
181.04919	73.4
181.08495	2.5
184.24847	0.5
186.97835	0.5
191.14294	2.0
198.57234	0.5
209.08061	16.3
209.15408	2.6
227.09100	63.0
227.16278	3.6
249.07582	6.0
267.08569	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	9.0
54.81960	6.1
55.05494	24.8
63.21375	5.6
67.05477	30.2
68.50149	5.8
69.07050	28.2
71.04984	7.9
73.59622	5.1
79.05466	32.1
81.07043	91.1
83.08590	10.1
85.06525	32.9
91.05453	74.8
92.09115	42.1
93.07025	100.0
95.04913	8.2
95.08589	53.2
97.46567	6.0
105.07007	93.6
107.08556	53.1
109.10128	33.1
119.08574	56.1
121.10103	35.7
131.08553	24.5
133.10086	35.2
135.11647	10.8
143.08568	9.7
145.10085	29.2
147.11668	13.8
159.11676	46.5
161.02641	7.6
161.13153	10.9
173.13197	11.0
212.27756	5.9
215.17720	5.7
229.19484	7.9
248.81282	5.9
330.18610	8.0
355.08151	7.4
371.23486	5.9
408.02560	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	493.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98806	0.2
53.03935	0.7
53.39025	0.1
55.95380	0.2
57.03429	1.0
63.02373	0.3
65.36621	0.2
67.05533	0.3
69.03421	2.7
69.07051	0.4
71.04990	0.7
72.08140	0.3
78.04689	0.3
79.05478	0.4
81.03402	7.5
81.07043	1.1
83.04980	0.2
83.08629	0.2
85.02879	2.3
86.09683	0.2
89.03898	8.6
89.04453	0.3
91.05458	1.6
92.08956	0.9
93.07036	0.5
95.04951	1.1
95.08556	0.8
97.02882	0.8
99.04442	0.9
103.05457	0.4
105.03384	2.8
105.07030	1.2
106.04179	0.5
107.08585	0.9
109.02876	2.5
109.06483	0.2
109.45145	0.2
117.03357	33.7
119.04944	0.3
119.08569	0.4
121.06511	0.3
121.10128	0.3
123.04430	0.3
124.03907	0.9
127.03849	0.4
131.08623	0.2
133.10143	1.0
134.03619	2.6
135.04414	2.4
135.07895	0.2
137.05916	0.2
145.02827	85.5
146.03160	0.4
147.04411	0.3
149.05959	13.6
149.09578	0.2
162.03120	0.3
163.03813	1.4
167.06960	0.5
177.05432	100.0
178.05779	1.0
195.06483	0.8
205.71405	0.2
214.35434	0.3
321.09616	5.1
339.10727	3.1
377.01434	0.2
392.19589	0.2
468.12872	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.4
53.03931	0.5
54.76326	0.4
55.05498	2.8
55.19582	0.3
55.76089	0.3
57.07067	8.0
58.99583	1.0
63.42737	0.4
67.05481	2.2
69.07051	14.0
71.08623	5.8
79.05475	14.7
79.93384	0.4
81.07053	0.9
87.02677	4.8
90.52910	0.5
91.05462	85.6
92.08879	2.5
93.07027	1.1
95.04949	2.8
95.08560	0.7
97.01112	1.7
103.05435	8.9
105.07016	81.4
106.06548	3.0
106.07807	8.5
107.08609	4.2
109.06446	0.4
109.10140	1.8
109.30797	0.4
119.04897	0.6
121.06488	1.7
124.24232	0.4
128.63615	0.5
133.05429	1.1
133.06471	64.5
134.07253	40.7
135.08032	100.0
135.57578	0.5
137.04169	5.4
143.08881	2.6
151.07523	30.6
159.07982	0.7
161.09578	1.8
165.03670	62.1
166.07788	0.6
167.05240	12.2
171.14992	0.5
173.09586	0.6
179.05234	16.9
181.10106	4.7
183.04727	1.8
198.12749	37.5
277.16159	17.1
295.17218	88.2
333.84824	0.4
338.22104	0.6
492.32361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42731	0.9
53.03946	2.3
55.05504	1.8
57.07071	1.7
67.05487	9.2
69.03420	8.4
69.07063	5.3
69.68724	1.3
71.04984	5.1
73.55740	1.2
79.05478	8.2
81.03403	12.4
81.07047	10.7
85.02886	9.6
85.06535	1.8
90.85455	1.3
91.05470	5.7
92.08662	2.2
92.09257	4.3
93.07025	8.4
94.42912	1.3
95.04958	8.3
95.08567	10.5
97.02882	4.9
97.06529	5.0
99.69989	1.3
105.03369	87.2
105.07002	14.5
107.07977	1.3
107.08561	12.1
109.02873	6.4
109.06496	100.0
109.10141	28.5
111.08047	1.6
117.06978	1.8
119.08542	9.2
121.06498	1.6
121.10088	8.9
123.04381	11.3
123.08033	13.5
127.03954	1.7
131.08530	20.4
133.10094	38.3
133.11015	2.0
135.08029	41.7
135.11655	1.6
143.08553	1.8
145.10129	9.4
147.11649	2.7
149.09637	6.0
149.13321	1.3
153.09074	3.1
157.10085	1.5
158.10902	3.0
159.11734	1.8
173.13228	26.9
184.07339	2.1
191.14259	51.3
209.15335	55.4
249.07526	2.8
267.08664	9.7
278.46570	1.7
457.33115	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61459	1.1
53.03935	5.5
55.05506	11.6
57.03431	2.3
57.07087	1.4
59.04985	1.6
66.64749	1.0
67.05486	15.6
69.03413	19.7
69.07044	16.3
71.04968	2.8
74.86699	1.1
79.05038	1.7
79.05467	20.0
81.03410	23.6
81.07041	26.7
83.04977	13.0
83.08601	7.5
85.02886	12.5
85.06528	2.0
91.05467	12.5
92.09194	7.4
93.07027	18.1
95.04939	13.2
95.08586	24.3
97.02866	11.6
97.06509	4.9
97.10132	2.2
99.04439	2.1
99.08060	5.4
105.03374	100.0
105.07012	15.9
106.03693	2.0
106.07345	1.5
107.04941	5.2
107.07862	2.2
107.08581	54.7
109.02839	9.1
109.06512	10.4
109.10142	23.2
111.08085	4.8
117.06982	4.8
119.08529	13.9
121.06474	7.8
121.10121	52.1
122.07218	1.9
123.04427	9.4
123.08047	8.8
123.11623	1.7
125.09596	14.3
127.03906	10.3
131.08530	9.2
133.10109	86.4
134.10428	1.6
135.08037	19.5
135.11642	7.4
135.85675	1.3
137.09592	58.0
139.11172	6.8
143.08600	1.8
145.04919	1.9
145.10112	2.9
147.08049	1.5
147.11687	10.8
149.09604	14.6
149.13237	30.3
151.09944	2.7
151.11160	83.5
153.09070	1.6
158.10904	5.0
159.11676	1.7
161.13181	1.6
163.11113	1.6
163.14734	10.8
165.12726	10.6
173.13219	24.9
175.14857	1.3
191.12502	2.2
191.14270	76.8
209.15338	88.1
223.79376	1.2
229.14348	1.8
249.07491	9.3
267.08530	14.0
276.20416	1.5
277.21249	1.7
352.49960	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.05521	0.2
57.03433	0.2
63.02353	0.2
68.96646	0.2
69.03423	1.7
69.07076	0.2
71.04981	0.3
73.02885	0.2
81.03403	1.3
81.07024	0.3
83.04967	0.9
85.02892	1.7
85.06531	0.2
87.04431	0.2
87.78005	0.2
89.03899	5.0
91.05454	1.0
92.08696	0.4
92.09199	0.5
93.06994	0.3
95.04914	0.3
95.08540	0.2
97.02866	0.5
99.04454	0.5
101.06007	0.4
101.95998	0.2
103.05445	3.4
105.03351	2.2
105.07034	0.3
107.08615	0.3
109.02890	0.4
109.06514	0.2
117.03360	20.4
119.08572	0.2
121.06582	0.2
127.03922	0.4
131.04903	10.6
131.08588	0.3
133.10130	0.2
134.03633	1.4
135.04376	1.3
137.06046	0.2
145.02831	68.1
146.03198	0.9
149.05965	9.8
150.05507	0.4
163.03854	0.5
167.10634	0.4
177.05437	100.0
178.05774	0.9
186.05396	0.3
195.06528	1.0
293.10110	0.3
321.09592	0.5
339.10583	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
54.10511	0.2
55.01862	0.2
55.05501	1.7
55.93123	0.2
57.03428	0.8
59.04985	1.5
59.10238	0.2
61.02906	0.3
62.27213	0.2
67.05481	1.0
68.59383	0.2
69.03415	5.2
69.07038	0.3
70.06568	0.9
71.04974	0.4
72.08158	0.2
76.56199	0.2
77.03910	0.2
79.05467	1.2
81.03405	5.3
81.07039	1.6
83.04933	1.8
85.02891	6.0
85.06514	0.5
86.09647	0.2
87.04453	1.8
91.05454	1.1
92.08997	0.2
93.07010	1.4
95.04947	2.4
95.08573	1.0
97.02868	4.8
97.06483	1.0
99.04422	1.8
101.05987	0.3
103.05444	21.4
105.03378	3.1
105.05511	0.4
105.07007	2.2
106.02851	0.4
107.08570	2.5
109.02830	2.1
109.06480	1.6
109.10152	1.9
111.04424	1.1
111.08093	0.5
119.08559	1.1
121.02878	0.2
121.06493	0.3
121.10156	1.8
123.04478	0.3
123.08042	0.8
123.11677	0.5
124.03922	0.9
125.05982	0.2
127.03919	2.4
129.05466	0.4
131.04903	100.0
131.27715	0.2
132.05258	0.4
133.10121	3.2
135.08011	0.3
135.11771	0.2
137.09579	0.3
145.04930	1.0
145.10136	0.8
147.04385	0.4
147.11665	0.5
149.05960	5.9
149.13272	0.9
151.11195	0.4
152.56253	0.3
153.09129	1.0
157.10153	0.3
159.11613	0.4
160.06628	0.2
161.05830	0.2
161.09595	0.3
163.11143	0.3
163.14722	0.2
165.07492	0.3
167.14278	0.5
173.13148	1.7
175.14781	0.3
181.08609	0.2
183.08556	0.3
191.14293	1.1
207.06502	0.5
209.15355	3.2
227.16405	0.4
257.07996	0.3
275.09119	2.0
293.10132	10.3
467.77380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.3
53.03938	0.6
55.01855	0.6
56.05915	0.2
57.03175	0.3
57.03431	6.3
59.05000	0.9
60.04510	0.6
61.02917	0.4
65.87044	0.2
69.03416	18.8
70.06563	1.1
71.04967	0.3
73.02887	1.4
73.13327	0.2
75.04480	1.0
79.05465	0.4
81.03404	2.9
85.02890	12.8
86.09699	0.3
87.04450	9.6
91.05457	1.1
92.09035	0.5
95.04933	1.4
97.02870	13.0
98.06007	0.4
99.04415	0.6
103.05452	32.8
105.02685	0.5
105.03378	10.5
105.06956	0.3
107.04917	0.3
109.02847	1.5
111.04372	0.3
115.03913	9.6
118.15722	0.3
119.04902	2.3
123.04389	1.2
124.84607	0.3
127.03904	2.1
127.57227	0.3
128.29874	0.2
131.04906	100.0
133.04942	8.8
133.06425	0.3
135.04414	1.1
135.11536	0.3
137.05997	0.5
139.03903	0.6
143.04872	0.3
145.04942	0.6
147.04402	6.3
148.03931	0.6
150.07616	2.4
151.07468	0.3
154.00925	0.3
158.51659	0.3
161.05954	0.5
163.03917	3.1
163.07506	26.7
175.07478	0.4
177.05524	0.4
179.03333	0.3
181.04840	0.3
205.04900	0.5
213.05426	1.2
231.06412	1.1
249.07562	1.6
259.05988	1.2
265.07062	0.3
265.68140	0.3
267.08612	1.3
269.06155	0.6
277.06970	0.3
287.07343	0.3
288.37103	0.3
295.07986	0.5
322.22186	0.3
453.78934	0.3
481.53714	0.3
492.13971	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04728	0.1
51.02355	0.2
53.03940	2.7
55.01860	0.4
55.05503	1.5
56.50512	0.2
57.03419	1.2
59.04988	2.5
61.02906	0.3
64.33314	0.2
67.05497	3.6
69.03413	8.2
69.07047	0.8
71.04977	1.2
73.02899	0.2
77.03902	0.8
79.05475	8.2
81.03396	10.7
81.07028	2.4
83.04961	0.8
84.50092	0.2
85.02887	12.8
85.06516	0.2
91.05468	2.8
92.08710	0.9
92.09325	0.5
93.07021	2.9
95.04945	8.1
95.08581	2.6
96.55299	0.2
96.74997	0.2
97.02867	5.7
97.06435	0.2
99.04436	1.4
101.05965	0.7
105.03372	100.0
105.07001	5.1
107.04922	0.4
107.08572	9.0
109.02865	5.8
109.06495	7.7
109.07053	0.3
109.10136	7.5
109.10854	0.4
110.03320	0.2
117.07011	0.4
119.06046	0.2
119.08559	5.9
121.06498	0.8
121.10141	0.9
122.07259	1.8
123.04404	14.1
123.08044	5.5
127.03908	5.3
131.08498	0.3
133.06444	0.4
133.10071	1.6
135.08018	2.2
135.11671	2.7
137.09592	35.9
143.08553	0.2
145.04944	1.2
145.10075	0.4
147.08069	0.3
147.11674	2.3
147.62860	0.2
149.09583	1.4
151.07541	1.2
153.09125	1.4
156.09291	0.4
159.11697	0.2
161.13211	3.2
171.11641	0.4
179.14343	0.2
189.12672	1.8
207.13818	2.0
225.14816	0.3
231.06480	1.1
249.07512	11.3
267.08575	16.8
474.99158	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
54.81913	0.2
55.01865	0.2
56.69211	0.2
57.03422	0.7
59.05020	0.2
61.02905	0.3
63.02350	0.2
64.33620	0.2
67.05502	0.2
69.03407	2.1
70.06581	0.3
71.04971	0.3
72.09328	0.2
72.51046	0.2
73.02891	0.3
79.05467	0.3
81.03390	4.3
81.07030	0.2
83.04967	0.4
84.08104	0.2
85.02882	2.7
89.03891	6.3
91.05463	1.1
92.08765	0.3
92.09247	0.3
93.07015	0.4
95.04961	0.3
96.73373	0.2
97.02869	1.2
99.04423	0.8
103.05459	0.4
105.03347	0.4
105.07053	0.3
107.08624	0.3
107.17215	0.2
109.02844	1.6
109.10144	0.2
111.04442	0.2
117.03353	27.9
119.04919	1.5
121.06455	0.3
121.10151	0.3
124.05171	0.2
127.03912	0.4
134.03596	2.0
135.04390	1.9
136.67484	0.2
137.09595	0.3
145.02820	76.0
147.04384	1.8
149.05948	11.4
149.09613	0.5
160.42897	0.2
162.03076	0.3
163.03850	1.1
163.05936	0.2
170.66173	0.2
175.03850	1.0
177.05423	100.0
186.05322	0.3
195.06458	0.5
207.06496	1.4
227.01025	0.2
321.09549	3.0
339.10657	4.7
491.13922	0.4
491.20761	0.3
491.31570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.01870	0.2
57.03430	0.2
60.52172	0.1
60.87869	0.1
61.02891	0.2
65.03922	0.5
69.03413	1.7
71.04970	0.2
74.73260	0.1
76.21903	0.1
81.03398	2.7
83.04986	0.2
85.02899	1.6
86.06065	0.2
86.09692	0.2
87.04427	0.2
91.04883	0.2
91.05457	7.2
97.02863	0.7
99.04427	0.3
109.02865	0.8
111.04411	0.1
117.83443	0.1
119.04918	26.4
123.04433	0.1
127.03871	0.5
147.04387	100.0
148.04712	0.3
165.05435	2.0
209.90154	0.2
227.05232	0.5
238.50235	0.1
245.06378	0.2
264.28638	0.2
287.07428	0.4
291.08545	1.7
309.09625	3.5
491.13397	2.3
491.20734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96844	0.2
53.03937	0.3
55.05507	0.2
57.03433	0.4
61.02919	0.5
69.03419	2.1
69.07061	1.4
70.06588	0.3
70.07388	0.3
81.03400	4.3
85.02889	2.9
86.06069	0.4
86.41051	0.2
87.04472	0.3
89.03902	5.9
91.05468	0.4
93.07040	0.3
95.04974	0.3
97.02863	0.5
99.04413	0.4
105.03366	0.3
106.04182	0.4
106.56111	0.2
109.02866	1.5
111.11765	0.3
117.03358	25.3
121.10101	0.4
125.09622	0.2
127.03906	0.3
133.28941	0.3
134.03632	1.5
135.04381	2.5
145.02826	72.4
146.03157	0.3
147.04384	1.0
147.13821	0.3
149.05960	10.5
163.03897	0.9
177.05429	100.0
178.05797	0.5
182.13776	0.2
186.05475	0.4
195.06468	0.4
208.60275	0.3
219.53285	0.3
321.09579	3.2
339.10608	3.6
403.70633	0.2
409.25650	0.2
491.14069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25502	0.1
52.43709	0.1
53.03931	0.1
54.75653	0.1
57.03424	0.3
60.37990	0.1
61.02906	0.3
63.52849	0.1
64.01540	0.1
65.03927	0.3
69.03086	0.2
69.03411	1.5
70.06565	0.3
81.03407	1.4
83.04972	0.3
85.02886	1.3
86.09697	0.2
91.05461	8.1
97.02901	0.2
99.04463	0.3
109.02872	0.3
111.04408	0.2
119.04919	29.5
120.05210	0.2
120.08028	0.2
127.03893	0.3
129.05463	0.3
137.01898	0.2
147.04387	100.0
148.04752	0.3
152.20757	0.2
165.05437	1.7
165.07532	0.2
183.30130	0.2
231.45399	0.2
291.08606	1.1
309.09598	2.5
329.08035	0.2
421.49139	0.2
491.13666	0.2
519.37073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.05508	1.6
55.77993	1.0
57.03428	1.8
57.32042	0.9
65.49883	1.0
69.03420	10.1
70.06576	7.5
81.03399	2.1
83.04970	1.8
84.04482	1.8
84.08104	2.2
85.02908	9.6
85.06519	1.4
86.06021	1.4
87.04459	2.5
91.05447	1.9
92.09144	1.9
95.04986	1.1
97.02860	7.1
97.80121	1.2
98.06008	1.3
103.05438	6.5
105.03403	2.8
105.07028	2.3
107.08555	1.6
109.02893	1.5
112.13376	1.6
119.04927	2.7
121.02818	1.4
127.03946	1.3
128.98654	1.0
131.04910	22.7
133.10193	1.2
145.02905	2.4
147.04395	6.4
163.01820	1.5
163.03934	1.4
163.07477	1.7
177.05421	4.5
178.05760	1.7
209.15399	1.6
227.05405	1.4
245.06293	13.1
269.06281	54.9
287.07333	54.4
287.10541	1.5
315.49771	1.2
413.17844	1.3
416.75339	1.2
427.02536	1.4
431.19510	2.6
491.13660	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	491.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.05508	1.6
55.77993	1.0
57.03428	1.8
57.32042	0.9
65.49883	1.0
69.03420	10.1
70.06576	7.5
81.03399	2.1
83.04970	1.8
84.04482	1.8
84.08104	2.2
85.02908	9.6
85.06519	1.4
86.06021	1.4
87.04459	2.5
91.05447	1.9
92.09144	1.9
95.04986	1.1
97.02860	7.1
97.80121	1.2
98.06008	1.3
103.05438	6.5
105.03403	2.8
105.07028	2.3
107.08555	1.6
109.02893	1.5
112.13376	1.6
119.04927	2.7
121.02818	1.4
127.03946	1.3
128.98654	1.0
131.04910	22.7
133.10193	1.2
145.02905	2.4
147.04395	6.4
163.01820	1.5
163.03934	1.4
163.07477	1.7
177.05421	4.5
178.05760	1.7
209.15399	1.6
227.05405	1.4
245.06293	13.1
269.06281	54.9
287.07333	54.4
287.10541	1.5
315.49771	1.2
413.17844	1.3
416.75339	1.2
427.02536	1.4
431.19510	2.6
491.13660	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	491.1179
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
52.44151	0.2
53.03949	3.4
53.04166	0.5
55.01852	1.3
56.77151	0.2
57.03417	1.7
59.04954	0.4
61.02921	3.7
68.99782	0.6
69.03416	26.3
69.37234	0.2
71.04972	2.2
73.02898	0.6
75.64730	0.3
81.03399	12.8
83.01321	2.1
83.72787	0.3
85.02890	26.3
87.04436	0.3
92.09193	0.6
97.02869	33.2
99.04428	7.7
105.03390	0.5
105.06972	0.3
107.04942	0.5
109.02862	39.0
111.00791	0.7
115.03918	0.5
121.02834	5.0
127.03893	20.3
133.02808	0.6
137.02299	1.4
139.03864	1.9
145.04930	8.7
147.04414	1.2
153.01817	6.8
161.05981	0.3
165.01755	3.2
169.04924	3.0
171.04366	0.6
183.02847	1.4
185.05928	0.5
187.05966	3.6
205.07088	4.0
213.05415	1.8
231.06487	0.6
241.04916	1.1
247.26834	0.3
258.05136	1.7
259.05945	0.5
287.05438	100.0
288.05765	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.3
54.81387	2.9
55.01860	4.5
55.05512	23.5
55.24279	2.9
56.54426	2.5
57.07050	5.2
61.57113	2.5
67.05495	30.0
69.07044	17.4
71.04974	4.3
79.05472	36.9
81.07039	88.2
83.04950	4.6
83.08624	4.5
85.06519	25.0
91.05447	47.3
92.09221	12.8
93.07018	100.0
95.04926	19.9
95.08582	69.1
105.07009	78.5
107.08575	52.5
109.06492	3.9
109.10141	32.5
111.08141	4.2
117.07011	13.6
119.08556	53.0
121.10112	35.1
125.09533	4.2
129.06975	5.1
131.08507	14.8
133.10117	32.2
135.11673	17.9
142.70102	2.8
143.08530	6.5
145.10060	27.9
147.11655	26.5
149.13210	12.3
157.10139	6.6
159.11644	34.9
161.13248	19.6
165.61951	2.9
171.11629	14.2
173.13252	6.7
185.13168	4.9
187.14798	6.9
189.16377	5.2
201.16362	3.9
213.16351	4.1
221.97890	3.2
227.17918	3.4
240.90849	13.5
306.91888	6.4
324.93158	4.5
352.43518	4.2
365.93002	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	491.1182
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
51.80402	0.1
53.03938	3.3
54.05318	0.1
55.01863	1.0
55.97904	0.1
57.03427	1.1
61.02906	1.0
62.70357	0.1
68.99768	0.7
69.03413	11.4
71.01340	0.1
71.04975	1.1
73.02903	1.2
79.05457	0.2
81.03397	15.0
83.01344	0.1
85.02888	6.5
87.04436	0.1
92.08548	0.1
92.09087	0.4
95.04948	0.2
97.02865	5.7
97.03493	0.2
99.04430	2.7
103.03909	0.2
105.03372	0.6
107.04935	0.4
109.02857	7.5
111.00793	0.9
111.04371	0.1
119.08558	0.1
121.02842	3.6
127.03888	6.0
133.02797	0.5
133.04869	0.1
137.02344	1.0
138.28123	0.1
141.06932	0.1
145.04926	1.1
145.06415	0.1
147.04364	0.6
149.02327	0.5
150.02682	0.1
153.01801	5.2
157.06503	0.5
161.05974	0.1
165.01807	2.9
167.56129	0.1
171.04381	0.2
183.02895	1.3
185.05988	0.6
187.05980	4.1
197.36147	0.1
198.29439	0.1
213.05435	1.5
231.06470	1.0
241.04893	1.3
258.05154	1.7
259.05954	0.7
259.82166	0.1
269.04330	0.1
287.05432	100.0
288.05777	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.4
55.05503	23.8
57.07047	5.0
64.33466	4.6
67.03323	4.0
67.05495	36.8
69.07057	10.8
75.21815	4.3
79.05470	36.0
81.07029	80.7
85.06544	24.2
91.05438	31.2
93.07015	82.5
95.04937	10.2
95.08595	51.7
95.09107	5.3
95.85220	5.2
97.06480	5.7
105.07017	100.0
107.08586	47.0
109.10131	22.8
111.08102	5.8
117.06990	6.5
119.08566	71.3
119.31840	4.6
121.10155	26.0
131.08566	11.4
133.10078	29.5
135.11670	19.5
145.10136	21.2
147.11656	22.3
153.84726	5.2
159.11665	17.6
161.13237	19.3
199.27113	5.7
266.92154	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	4.9
54.81281	5.0
55.05502	54.2
56.73374	5.1
57.07061	6.4
64.10783	6.0
67.05495	50.4
69.07040	12.6
69.70628	4.7
71.04938	7.4
79.05470	59.0
81.07034	87.2
83.04960	42.0
83.08603	5.8
85.06512	24.3
85.68147	4.8
88.35702	4.7
90.91916	5.7
91.05444	45.7
92.09176	37.1
93.07016	100.0
95.04939	11.5
95.08582	67.7
96.93029	5.9
97.06509	6.8
97.96011	5.0
101.05994	26.3
105.06995	96.1
107.08571	79.4
109.06497	11.0
109.10133	43.5
117.06991	13.3
118.22955	6.3
119.08543	70.4
121.10124	56.7
123.11691	9.6
123.45143	5.5
129.06972	6.1
131.08556	27.4
133.10112	50.6
135.11581	11.1
143.08563	8.5
145.10126	35.3
146.31207	5.8
147.11728	19.2
149.13220	7.2
159.11649	33.3
161.13234	26.7
163.14719	8.5
173.13309	21.1
190.36749	6.3
205.32590	6.0
231.20607	5.8
334.59027	6.0
428.13498	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	490.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	17.0
57.07062	3.9
67.05496	56.4
69.07058	56.4
79.05473	20.0
79.93909	1.7
81.07036	63.0
83.08614	9.6
91.05457	20.6
92.08777	4.6
93.07030	49.8
95.04972	2.3
95.08585	64.5
97.10143	2.6
98.98436	10.0
105.07015	54.2
107.08575	80.4
109.06504	2.8
109.09398	3.4
109.10143	100.0
111.08117	2.3
117.07026	8.2
119.08560	83.4
121.06482	3.5
121.10121	59.7
123.08035	3.2
123.11697	10.8
125.09666	2.4
129.06976	2.3
131.08527	28.8
133.10109	57.1
135.08041	2.9
135.11674	21.8
137.13255	2.8
141.06987	2.1
143.08560	18.0
144.09337	2.8
145.10120	42.5
147.07970	2.4
147.11664	46.9
149.09628	4.8
149.13251	15.1
155.00996	2.6
155.08559	4.8
156.09325	7.7
157.10133	29.5
159.11676	35.1
160.03908	2.2
161.09596	2.8
161.13252	28.0
163.11220	2.6
163.14777	4.3
165.12813	2.4
167.08627	2.1
168.09386	3.8
169.10118	11.8
171.11671	18.8
173.13210	25.6
175.11208	7.6
175.14809	18.1
177.12772	8.8
181.10120	8.7
183.11670	26.1
184.12422	3.4
185.13203	29.9
187.14769	22.4
189.12747	4.0
189.16341	11.8
191.14297	4.7
193.10092	3.5
193.12158	4.8
194.10884	3.5
195.11661	10.6
195.13536	2.3
196.12492	3.5
197.13239	21.0
199.14847	15.3
201.12767	4.2
201.16376	8.1
203.17938	61.5
205.15942	4.0
205.19603	2.2
207.11624	3.8
208.12517	4.0
209.13255	15.1
211.14842	13.5
213.16405	9.7
217.15826	7.6
220.01366	2.1
221.13255	10.5
223.14787	13.7
224.15567	3.1
225.16273	14.4
227.17877	3.9
233.13184	2.8
235.14760	9.7
235.16911	3.4
236.15659	2.5
237.16469	16.0
239.17935	8.1
241.15695	2.7
241.19490	2.9
243.17355	3.1
247.14766	3.1
247.20601	3.0
249.16345	10.6
251.17839	12.8
253.19455	7.3
255.17393	3.2
261.16208	3.6
262.17218	3.9
263.17953	4.0
265.19299	2.5
267.17456	2.9
269.19003	2.6
271.20554	8.4
275.17996	11.4
277.19455	9.1
281.19135	2.3
289.19482	2.1
291.21085	7.4
291.93225	2.1
293.18912	2.5
295.20416	2.4
303.21054	3.8
309.22174	3.7
311.23834	2.3
317.22659	2.8
319.24551	2.1
333.25635	2.8
401.31964	49.0
409.34097	2.5
419.33005	60.0
437.34122	59.1
455.35117	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	2.2
53.03929	6.4
55.01860	8.6
55.05233	1.3
55.05504	33.5
57.03426	12.6
57.07056	1.9
57.81797	0.9
59.04983	1.1
59.77306	0.9
61.02895	5.9
65.03928	1.6
67.05492	69.7
69.03415	26.4
69.07053	48.7
71.01331	1.6
71.04967	10.0
72.80202	1.0
73.02885	3.9
79.05005	1.3
79.05472	55.3
81.03396	22.9
81.07037	100.0
83.04965	17.2
83.08172	1.4
83.08610	20.1
85.02887	40.3
85.06547	7.2
87.04440	1.5
91.03918	2.3
91.05458	44.0
91.67713	0.9
92.05779	1.2
92.09138	5.4
93.07021	58.9
95.04942	20.3
95.08579	45.0
97.02872	17.0
97.06516	18.7
97.10159	7.8
99.04423	2.3
99.08064	4.2
103.05391	1.7
105.03391	1.5
105.07010	51.5
106.07317	1.5
107.04936	9.2
107.08575	42.8
109.02895	7.1
109.06509	12.7
109.10141	21.4
111.04396	1.3
111.08050	5.7
117.06992	15.0
119.08559	42.1
120.08900	1.3
121.06467	6.3
121.10120	23.2
123.08048	10.8
123.11679	8.9
125.09561	2.3
127.03869	13.5
127.07548	1.3
129.06969	6.7
131.08548	21.8
133.06476	1.5
133.10101	34.5
135.04434	1.3
135.08028	8.2
135.11656	32.4
137.09567	6.0
141.06947	1.7
143.08546	7.2
145.04913	3.9
145.06500	1.9
145.10092	19.5
146.10513	1.6
147.04404	1.9
147.08037	4.8
147.11665	24.7
149.09602	12.7
149.13258	12.8
151.07571	1.2
151.11174	2.2
153.09106	1.4
155.08615	1.3
157.10136	8.5
159.07953	1.4
159.11667	13.3
160.11966	1.7
161.09624	1.4
161.13208	5.8
163.11148	9.7
163.14853	1.3
169.10135	1.2
171.11598	6.6
173.11803	1.5
173.13162	9.5
175.11130	4.7
175.14748	1.9
177.12770	7.8
180.08696	2.0
181.12166	23.4
183.11636	1.7
185.13190	4.7
187.11229	1.9
187.14740	2.0
189.11162	4.2
189.16284	2.2
191.14279	1.9
193.12190	5.4
195.13774	20.3
197.13164	1.9
199.11507	1.0
199.13216	7.4
199.14836	1.8
201.12793	1.7
201.16307	4.2
203.14128	1.2
203.17863	1.4
211.13309	5.9
213.14761	7.7
216.29182	1.1
227.12607	1.3
235.16927	5.5
237.14688	1.3
239.18103	3.3
247.20604	1.3
249.14787	4.0
257.18988	7.5
265.21555	1.7
273.14844	1.4
275.19995	55.0
293.21088	17.2
303.15869	2.5
305.54935	1.1
321.16541	1.6
391.49130	1.1
455.26569	1.6
488.49829	1.2
503.22855	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.2
55.01864	9.9
55.05505	48.3
57.03429	12.7
59.04971	3.2
61.02909	8.7
65.03930	2.2
67.05490	100.0
69.03413	28.4
69.07050	27.9
71.04972	14.5
72.52566	1.5
73.02895	2.3
76.47533	1.4
79.04998	2.5
79.05472	78.9
81.03388	17.9
81.07036	57.6
83.04980	13.7
83.08607	26.9
85.02890	50.9
85.06531	6.4
87.04453	1.8
91.05457	63.2
92.08869	10.9
93.07019	70.8
95.04951	22.3
95.08582	47.1
97.02868	23.6
97.06519	6.6
97.10152	23.4
99.04472	2.0
105.03371	6.2
105.07010	58.3
105.90606	1.7
106.70103	1.8
107.04954	6.6
107.08574	75.1
109.02850	3.6
109.06494	10.6
109.10135	62.1
111.08047	6.7
115.05462	1.6
117.07007	16.0
119.08551	45.5
121.06493	2.3
121.10122	27.5
123.08045	2.8
123.11681	7.9
125.09592	18.8
127.03897	10.0
129.06998	6.2
131.08539	20.8
133.10100	33.7
135.08046	3.8
135.11678	9.5
137.09569	12.4
139.11087	2.9
141.06947	3.6
143.08583	2.9
144.81625	1.4
145.04991	7.0
145.10100	18.9
147.11670	17.8
149.09604	9.7
149.13229	2.2
155.08514	2.6
155.10689	6.3
157.10136	3.3
159.07990	1.8
159.11655	12.5
161.09547	1.6
161.13248	7.1
163.11102	3.7
169.10149	1.5
171.11647	2.9
173.09656	1.7
173.10190	2.2
173.11720	34.5
173.13196	5.1
175.14757	2.6
177.12778	1.8
178.52676	1.5
183.11661	1.9
187.11163	1.9
189.05653	1.5
189.11174	14.6
193.12259	2.5
197.13286	3.0
211.13290	2.3
223.13290	1.8
235.16881	2.0
239.17932	6.6
257.18967	7.3
275.19989	60.4
283.15405	2.1
293.20953	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	490.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57254	1.4
52.05067	1.2
53.00290	2.2
53.03927	6.2
55.01851	8.1
55.05502	31.9
56.41500	1.1
57.03164	1.3
57.03413	14.3
57.07045	2.8
61.02890	7.2
67.05490	89.9
67.38217	1.3
69.03415	29.6
69.07053	43.3
71.01289	1.5
71.04964	9.4
72.33208	1.4
73.02881	1.6
79.05470	65.5
81.03405	25.7
81.07034	100.0
83.04541	1.9
83.04962	18.7
83.08606	19.2
85.02895	42.3
85.06516	9.4
87.04454	1.6
91.03902	1.9
91.05464	60.3
93.07021	75.1
94.90600	1.4
95.04945	19.5
95.08582	47.7
97.02863	18.0
97.06496	17.8
97.10139	7.9
99.04411	2.7
99.08066	6.1
105.03373	2.5
105.07014	50.4
107.04926	8.8
107.08573	52.0
108.08917	2.0
109.02833	5.9
109.06499	12.3
109.10131	26.5
111.04433	1.9
111.08042	7.1
115.05424	2.1
117.07010	16.4
119.08550	47.0
121.06455	5.5
121.10117	25.9
123.08041	6.9
123.11644	6.8
125.09572	3.1
127.03881	10.2
127.07572	1.7
129.06976	7.3
131.08540	25.4
133.10094	43.7
135.08017	9.5
135.11658	45.1
137.09592	8.5
142.07733	1.7
143.08542	6.3
145.04907	5.7
145.10109	21.5
147.04329	5.6
147.08054	2.9
147.11676	20.2
149.09596	7.8
149.13211	15.6
151.11102	6.2
157.10063	6.1
159.11644	18.0
161.09583	2.2
161.13190	6.1
163.11171	11.9
165.09207	1.9
169.10043	2.5
171.11612	3.7
173.11653	7.7
173.13251	7.2
177.12682	7.6
181.12196	29.2
183.11536	2.0
187.14709	2.7
189.11029	1.6
193.12241	2.2
195.13757	26.0
199.13203	11.2
211.13153	2.2
213.14780	12.1
233.15103	1.7
235.16833	6.2
247.20601	2.0
253.14865	1.6
257.18906	7.9
275.19989	63.3
293.21078	13.1
303.16089	1.8
328.24167	1.8
353.00677	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	2.4
53.03939	4.2
55.01860	10.9
55.05507	56.2
57.03436	13.7
59.04981	2.2
61.02907	9.6
64.33137	1.8
67.05146	2.9
67.05493	83.0
69.03420	28.3
69.06707	3.2
69.07052	49.0
71.04964	4.0
73.02885	2.1
77.23446	1.8
79.05473	59.8
81.03404	19.5
81.07040	61.3
83.04955	10.0
83.08601	34.1
85.02422	2.7
85.02892	49.2
85.06528	3.6
87.04429	3.0
89.24998	1.5
91.05464	61.1
92.08789	13.4
92.09410	3.5
93.07024	44.7
95.04962	15.3
95.08580	47.5
96.08926	1.9
97.02869	18.1
97.06522	10.1
97.09592	3.0
97.10152	47.0
99.04415	3.2
102.51344	1.7
105.03376	4.2
105.07014	61.0
107.04948	11.9
107.08583	79.7
109.02869	3.9
109.06519	8.6
109.10141	44.9
111.08102	3.4
117.07003	13.6
119.08566	37.0
121.06502	2.9
121.10114	21.4
123.07994	2.8
123.11639	3.0
125.09611	38.7
127.03899	12.6
129.07008	6.6
131.08536	20.6
133.06459	2.2
133.10100	34.8
135.07983	3.8
135.11691	9.0
137.09549	6.8
143.08519	2.7
145.04945	2.9
145.10103	19.9
147.08022	3.0
147.11656	17.7
149.09634	20.5
149.13234	2.4
155.08543	2.1
155.10678	7.5
157.10114	2.2
159.11658	11.2
161.09596	2.8
161.13211	3.4
163.11177	8.4
169.10133	2.2
171.10095	3.1
171.11620	4.0
173.11722	39.8
173.13202	6.6
179.14348	2.4
181.12085	2.1
187.14731	2.1
189.11182	36.2
189.12747	2.8
197.13264	3.9
207.43829	1.6
214.99387	1.7
229.19875	1.9
239.17957	4.3
257.18951	12.6
275.20026	100.0
293.21234	15.2
441.08627	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	490.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
55.01849	0.4
55.05505	15.5
57.03425	0.5
60.43060	0.2
65.03898	0.3
67.05476	1.3
69.03416	2.1
69.07060	2.5
70.06576	0.3
71.04961	1.1
72.08128	1.6
73.06149	0.4
73.06534	7.7
74.09666	0.3
79.05457	1.4
80.79166	0.2
81.03382	2.2
81.07034	1.9
83.04992	0.8
83.08615	0.5
85.02890	5.6
85.06515	1.7
86.09679	0.3
87.65934	0.3
91.05474	1.9
92.08813	0.3
92.09327	0.3
93.07037	2.2
95.04940	1.8
95.08586	1.5
97.02882	2.0
97.06522	0.4
99.04435	1.2
101.05999	0.3
105.03358	3.1
105.06995	2.5
107.04961	0.3
107.08572	2.1
109.02880	1.2
109.06498	0.6
109.10138	1.7
111.04415	0.3
111.08081	0.5
116.04943	0.5
117.03349	1.3
117.07013	0.4
119.04883	0.3
119.08553	1.8
121.02846	2.3
121.06499	0.5
121.10114	1.1
123.04376	0.3
123.08015	1.3
123.11599	0.3
125.05951	0.4
127.03901	1.4
129.06999	1.3
131.08514	2.5
133.10097	2.3
135.08047	1.1
135.11678	0.4
137.05948	1.1
137.09596	1.3
143.04874	0.4
143.08594	0.3
145.02802	3.9
145.04962	0.6
145.10112	0.6
147.04378	0.4
147.07956	0.5
147.11641	0.5
149.02319	100.0
149.09608	0.6
150.02667	0.4
157.10034	0.4
159.11615	0.4
161.05919	3.4
161.09583	1.4
163.11159	0.3
167.03346	1.6
167.07022	1.0
173.13176	0.4
175.07509	13.0
177.05464	5.3
189.09065	0.3
189.12727	0.3
191.14258	0.4
203.05231	0.5
203.07008	11.3
205.95834	0.3
221.08038	3.4
233.15511	0.3
248.12695	0.3
259.11600	0.4
275.12689	3.2
275.15405	0.3
275.16730	0.3
275.19925	0.6
293.13770	26.6
293.20868	1.3
339.10873	0.5
363.46417	0.3
392.18878	0.3
410.19537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
55.01860	1.0
55.05497	3.1
56.77397	0.5
57.03428	1.1
58.06586	2.8
59.04961	0.7
59.22441	0.5
67.05474	2.9
69.03413	8.9
69.07052	3.2
70.06566	1.7
71.04972	6.1
74.09689	1.3
74.51805	0.6
76.34371	0.7
79.05461	7.6
79.17224	0.7
81.03392	15.4
81.07031	4.7
83.04956	1.7
85.02891	9.1
85.06534	4.3
91.05452	6.8
93.07003	4.4
93.84324	0.7
95.04947	12.2
95.08589	1.6
95.41321	0.6
97.02870	9.8
97.06517	0.8
97.10139	0.9
99.04445	2.8
101.05942	0.7
103.05447	7.1
105.03374	88.0
105.07010	27.9
106.02889	0.7
107.04920	3.1
107.08565	4.3
109.02861	6.3
109.06487	1.4
109.10143	1.7
112.07583	1.7
117.06963	0.9
118.06509	8.4
119.07267	1.5
119.08570	5.1
120.08078	18.1
120.08873	1.2
121.06474	1.1
121.10123	3.9
123.04424	5.2
123.08059	6.2
127.03909	3.8
127.07487	1.3
128.06200	3.3
129.07004	0.8
130.06453	0.8
131.04932	2.7
131.07295	0.6
131.08540	3.6
132.08073	2.7
133.06482	1.0
133.10085	4.9
135.07982	1.5
137.05992	0.8
137.09647	1.1
143.08537	6.0
145.04948	0.9
145.06447	0.9
145.10101	2.9
147.08038	0.7
147.11664	1.5
149.02306	7.4
149.05980	0.9
149.09598	1.7
159.08066	0.9
160.11186	100.0
161.09624	1.4
165.01828	1.1
173.13245	3.0
177.05518	0.8
178.12234	73.3
185.13136	0.8
187.07486	0.8
191.14302	4.4
206.11725	15.3
224.12776	89.9
249.07378	5.0
260.94119	0.8
266.13879	1.4
267.08505	1.3
275.20093	1.4
287.05481	8.4
308.14658	0.7
314.13797	4.2
454.18634	3.7
472.19641	1.1
490.20908	10.5
492.18961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03726	0.6
53.03942	6.7
53.94501	0.6
55.01856	2.5
55.05496	4.3
57.03429	1.4
67.05504	4.7
69.03417	10.1
69.07056	4.1
71.04970	1.5
77.03895	0.8
79.05475	10.1
81.03402	20.3
81.07031	5.8
83.04961	4.9
83.08620	1.2
83.98905	0.6
85.02889	6.9
87.04469	0.6
91.05460	4.1
92.08640	1.3
92.09241	2.4
93.07030	5.8
95.04951	8.1
95.08585	4.1
97.02853	8.1
98.30829	0.7
99.04435	3.1
105.03377	100.0
105.07025	7.7
106.03719	0.9
107.04954	1.3
107.08582	6.9
109.02870	7.5
109.06508	1.1
109.10133	3.3
111.04433	1.3
117.07005	3.1
119.04861	0.7
119.08571	5.2
121.10091	4.2
123.04423	9.4
127.03879	5.8
129.06987	0.8
131.08534	3.3
133.02928	0.7
133.10129	4.4
135.11690	1.4
141.07100	0.7
143.08525	0.7
145.04977	1.0
145.10086	3.1
147.08055	1.2
147.11678	2.9
149.13277	0.8
151.03893	0.9
157.10056	1.3
159.11664	1.2
163.11186	0.8
171.11696	0.9
175.11177	0.7
185.13231	1.0
189.09082	0.7
189.16374	1.1
201.12769	0.7
228.38887	0.6
242.74980	0.7
249.07536	15.9
267.08612	8.9
267.56946	0.7
273.18335	0.8
291.19531	13.0
311.47086	0.8
337.02097	1.4
391.09457	0.8
429.20343	1.1
437.25479	1.3
455.26266	1.1
469.74057	0.9
486.39667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.03938	3.9
55.01865	0.3
55.05499	0.7
57.03418	0.9
63.55788	0.2
67.05485	0.8
69.03075	0.3
69.03418	5.4
69.07047	0.3
71.01340	0.2
71.04976	1.0
72.57317	0.3
77.03920	0.7
77.98145	0.2
79.05476	4.6
81.03400	13.5
81.07040	0.7
83.04993	0.2
85.02419	0.3
85.02896	5.6
85.06525	0.3
88.63171	0.2
91.05437	0.3
92.09163	0.3
93.07038	0.7
95.04951	6.0
95.08576	0.8
97.02872	7.5
99.04430	1.8
100.11237	0.6
105.03375	100.0
105.07022	0.8
106.03693	0.3
107.08574	0.8
108.04498	0.3
109.02859	8.0
109.10159	0.3
117.06966	0.2
119.08556	0.7
121.10113	0.4
123.04402	8.9
123.08056	0.2
126.70133	0.2
127.03896	5.7
133.10106	0.7
135.08037	0.2
136.57001	0.2
137.80316	0.2
138.41576	0.2
141.05292	0.2
145.04929	1.1
145.10146	0.3
147.62465	0.2
159.11734	0.4
185.13177	0.2
187.14838	0.2
189.09088	1.0
193.08510	0.4
202.16608	0.2
231.06557	0.4
249.07527	17.1
267.08578	11.1
293.20956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
57.03432	0.2
63.02365	0.3
65.18784	0.1
69.03418	0.9
71.04983	1.0
73.02904	0.6
81.03400	1.7
85.02878	1.1
86.19823	0.1
89.03896	4.9
89.06026	1.6
91.05460	0.6
92.09155	0.2
93.07052	0.3
95.04921	0.5
97.02876	0.6
97.06455	0.2
99.04433	3.5
103.05443	0.3
105.03364	0.8
105.07007	0.2
106.04177	0.6
107.04975	0.2
109.02848	0.7
114.99624	0.1
117.03359	26.1
117.05471	0.7
124.05183	0.2
127.03877	0.3
127.05865	0.2
131.04877	0.2
134.03607	1.7
135.04407	2.1
142.58711	0.2
143.65135	0.2
145.02827	76.7
146.03113	0.4
147.04391	0.2
149.05962	11.4
162.05414	0.2
163.03865	1.1
177.05434	100.0
178.05746	0.7
186.05479	0.3
189.07585	0.2
195.06438	0.3
224.92709	0.2
247.52429	0.2
249.07463	0.2
293.10159	0.4
297.57056	0.2
321.09683	1.0
339.10663	1.8
350.12332	0.2
476.33487	0.2
517.05243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	5.8
55.93516	25.3
57.03421	1.1
58.70913	0.8
59.04969	5.6
61.68164	0.8
63.86961	0.7
65.03908	4.0
65.79868	0.9
67.05490	6.9
69.03413	9.2
70.06252	1.1
70.06571	19.3
71.06907	1.2
71.85183	0.8
71.92986	3.3
72.08129	0.9
72.93763	5.1
73.06548	3.1
73.94552	0.9
74.56363	0.9
81.03385	1.9
83.04963	24.0
83.08595	2.0
84.08110	1.3
85.02885	13.4
85.06519	14.3
86.06044	5.9
86.06850	5.7
89.03864	1.8
90.94797	3.5
92.09272	1.9
93.03376	4.6
95.01286	1.3
95.04945	2.0
97.02849	4.6
98.97511	1.3
109.02837	1.1
111.04430	8.0
111.08044	1.0
119.04893	1.7
120.08064	8.8
121.02843	14.9
121.08458	1.0
127.03851	1.7
128.04149	1.0
129.05392	2.0
129.09050	1.9
132.06538	1.5
134.03616	13.4
134.77402	1.0
135.04355	4.6
136.06166	2.2
139.03888	1.6
145.02777	4.9
145.08560	1.6
146.08949	1.4
147.04387	9.6
149.11673	4.1
157.96570	1.1
163.03867	20.4
168.10091	0.9
179.98599	1.7
181.96616	1.2
182.97418	1.1
183.98145	0.9
187.27205	0.9
187.95540	1.5
189.97086	1.8
193.96544	2.0
195.98050	1.1
205.96576	53.3
206.97331	4.3
207.98140	4.8
211.97607	3.8
213.99136	2.1
216.95743	1.1
217.96603	3.5
219.94484	2.2
221.95992	1.3
223.97609	72.8
224.98428	6.9
225.99159	1.8
227.97038	1.1
233.96019	2.2
234.96808	21.0
235.97603	26.2
236.98328	1.8
237.95448	5.1
239.97235	1.1
245.11192	5.3
247.93907	8.9
249.95636	1.9
251.97079	50.6
252.97853	48.4
253.98573	4.2
265.95020	11.1
266.95743	2.1
267.96619	3.7
268.97336	4.6
269.98062	36.5
275.97113	18.4
277.98517	1.6
281.99673	7.6
283.96075	5.0
285.99194	4.6
295.99600	1.1
297.98975	4.1
300.00531	1.0
301.98761	1.6
304.00302	1.2
316.00250	1.9
317.98157	5.1
318.01694	1.0
319.99530	1.1
325.98633	7.7
327.99985	3.7
334.01224	1.2
343.99631	20.1
346.01068	1.7
353.98019	7.5
359.99277	3.6
362.00677	9.4
371.98892	7.3
390.00241	14.9
408.01212	20.3
426.02332	100.0
449.03848	4.2
489.22971	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	489.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63257	0.9
53.03938	4.5
55.05507	9.8
57.03425	1.7
57.07064	1.6
62.20098	0.9
65.06052	1.3
67.05491	13.8
69.03416	7.2
69.07063	15.1
69.78691	1.2
71.04999	1.2
75.69761	1.0
78.58867	1.1
79.05470	18.2
81.03383	16.2
81.07030	29.5
83.04946	2.5
83.08595	6.2
85.02879	10.0
85.06521	2.2
91.05461	13.4
92.08801	2.6
92.09312	1.4
93.07022	25.3
95.04937	11.2
95.08579	49.2
97.02861	11.2
97.06489	5.2
97.10164	2.2
99.04422	2.7
105.03371	100.0
105.07001	40.8
107.08572	50.1
108.08901	1.5
109.02859	6.2
109.06498	5.1
109.10142	26.2
111.08041	2.4
117.07002	4.4
119.04837	1.1
119.08543	44.5
120.08893	1.1
121.06475	6.3
121.10107	27.5
121.10954	1.1
122.10480	1.4
123.04412	9.4
123.08042	4.5
123.11707	9.0
125.09592	1.7
127.03884	4.9
129.06984	4.1
131.08543	26.5
133.06525	1.5
133.10103	34.4
135.08052	5.1
135.11702	12.2
137.09605	2.2
142.07698	1.7
143.08517	9.1
145.04987	1.4
145.10091	29.8
147.04413	1.3
147.08073	2.4
147.11665	23.1
149.09583	2.5
149.13248	11.0
153.09068	2.3
155.08542	1.4
156.09326	1.7
157.10069	10.3
159.11642	19.1
161.09547	1.5
161.13208	18.4
163.11203	2.0
163.14787	16.6
165.09125	1.9
165.12708	1.1
167.10677	2.3
170.10886	2.1
171.11662	7.4
173.09573	1.2
173.13208	33.7
175.11237	2.2
175.14798	18.0
177.16365	7.6
181.10243	1.2
183.11652	4.7
185.13254	14.1
187.14792	25.7
189.09102	1.5
189.16313	9.6
191.14270	86.2
191.17911	4.6
193.12183	2.1
197.13239	1.7
199.14780	4.7
201.16367	4.8
203.14310	13.3
203.17900	45.2
204.88100	1.3
205.15823	10.8
205.19450	7.4
211.14810	1.2
213.16399	2.5
217.19307	1.3
221.15329	23.9
229.19533	1.4
231.20943	1.5
249.07518	19.3
249.18416	16.3
267.08582	8.3
293.22351	1.2
311.23633	2.6
313.49966	1.1
367.13217	1.3
377.32538	1.2
389.31915	2.5
395.33270	1.9
407.33041	6.3
425.34094	27.2
435.32855	2.6
453.33713	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	489.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09823	1.4
54.57803	1.6
55.05507	12.6
63.37722	1.5
67.05498	12.8
69.07054	19.6
71.04951	1.9
72.67631	1.7
73.14268	1.5
73.28230	1.6
79.05484	14.6
81.07046	43.3
83.08594	8.5
87.74517	1.6
91.05450	14.5
93.07027	33.4
95.04927	3.5
95.08587	64.5
97.06482	3.7
97.10152	2.5
105.03381	3.2
105.07017	56.2
107.08574	63.3
109.06505	4.3
109.10144	31.6
111.08070	1.8
117.06995	3.4
119.08559	69.5
121.06511	3.5
121.10114	42.0
123.08089	3.2
123.11685	4.3
131.08557	33.1
132.23813	1.8
133.10098	53.2
135.08031	3.7
135.11684	23.5
137.05931	2.9
137.13283	2.3
142.07703	2.1
143.08560	7.1
144.09277	2.5
145.10117	37.1
147.11670	43.5
149.01254	2.4
149.02336	26.2
149.09557	3.0
149.13219	26.9
153.09171	2.1
157.10078	7.9
159.11678	25.9
161.09627	2.8
161.13190	28.7
163.11092	3.7
163.14789	27.8
167.10561	2.3
171.11623	9.5
173.13231	34.9
175.11180	4.4
175.14783	32.2
177.16318	18.5
177.46283	2.0
185.13220	9.1
187.14769	37.0
189.12721	4.2
189.16347	27.4
191.14297	44.1
191.17857	3.3
193.04922	18.2
197.13191	2.7
199.14761	3.7
201.12624	1.8
201.16385	15.3
203.14299	11.1
203.17928	100.0
205.15897	14.5
205.19563	2.4
213.16432	4.5
215.17955	2.9
217.15904	2.5
217.19316	1.9
221.15353	15.2
229.19466	3.2
231.20996	2.3
249.18401	13.7
328.55899	1.9
359.07132	2.4
361.15552	2.0
385.09113	12.0
389.31995	2.2
395.33093	7.3
403.85220	1.8
407.33057	13.0
416.16461	2.0
425.34073	48.4
453.33679	19.3
471.34140	8.4
473.14352	11.5
514.45184	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3571
Annotation	Sodwanone D
Peak:m/z	Relative Intensity
51.54094	1.9
53.03932	2.2
55.05501	16.7
57.07070	3.9
61.20522	1.8
67.05490	26.4
67.56343	2.1
69.07056	18.9
69.29574	2.0
71.04993	2.0
73.22443	2.2
76.90118	2.7
79.05458	15.8
81.06597	2.9
81.07034	51.8
83.04983	3.7
83.08589	4.7
91.05467	27.2
92.08577	3.9
92.09225	13.4
93.07020	51.5
95.04959	5.4
95.08579	65.3
105.07010	60.3
107.08579	100.0
109.10133	36.1
111.08051	3.6
117.06985	13.1
119.08556	82.4
121.10109	59.0
123.08018	4.7
123.11691	16.9
125.09606	23.8
129.06966	4.5
131.08566	28.4
133.10098	55.5
135.08000	3.0
135.11676	21.1
141.62064	2.3
143.08533	14.2
144.09233	3.4
145.10117	63.0
147.11659	32.8
149.13184	10.8
156.09210	2.7
157.10115	21.3
159.11691	58.7
161.13214	29.2
163.11174	2.9
163.14778	15.2
165.09100	2.5
171.11656	10.6
173.13194	26.1
175.14772	27.2
177.16360	17.8
183.11638	3.3
185.13252	5.1
186.99492	2.3
187.14777	47.7
188.46074	2.5
189.16365	47.1
191.14236	10.7
191.17830	12.6
199.14749	12.8
201.16330	53.6
203.17981	24.2
205.15848	27.1
207.17542	2.6
213.16245	18.4
215.17883	30.3
217.15703	2.7
219.17413	11.8
221.15349	2.4
227.17929	4.1
229.15840	2.7
229.19650	3.5
233.19016	2.9
235.16830	3.2
241.19508	3.8
243.21040	3.7
247.16830	10.4
249.18449	3.6
261.18408	9.7
267.20956	2.6
279.39206	2.6
341.25064	3.2
389.31873	11.9
407.32971	34.0
435.32764	23.5
443.35104	3.5
453.33508	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.357
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
55.05489	5.2
55.65483	0.9
61.10812	1.0
67.05475	7.5
69.07047	8.5
79.05464	5.8
81.07027	15.8
83.08578	2.0
90.10120	1.0
91.05437	5.1
92.08843	5.7
92.09364	2.1
93.07017	13.4
95.08585	22.6
101.37058	1.3
105.07008	17.2
107.08574	23.0
109.06506	1.9
109.10151	15.5
119.08556	24.2
121.06486	1.6
121.10094	20.8
123.08021	7.6
123.11683	6.7
129.07033	1.3
131.08542	12.9
133.10101	20.4
135.11684	11.2
137.09563	1.2
143.08482	2.1
145.10107	21.6
147.11670	17.8
149.09595	4.5
149.13239	8.7
151.11147	1.9
157.10106	5.5
159.11652	13.1
161.13214	7.8
163.11172	1.6
163.14789	9.6
171.11667	2.5
173.09668	1.5
173.13211	6.4
175.14732	9.4
177.12657	1.1
177.16322	6.0
179.10583	1.2
185.13173	4.9
187.14777	16.4
189.16377	6.2
191.14323	1.7
199.14740	2.7
201.16354	24.9
202.14943	1.0
203.17944	6.1
205.15820	15.9
207.17499	1.2
213.16339	1.7
215.17984	4.2
219.17235	1.8
223.16856	2.7
227.17805	2.0
241.19412	2.4
247.16852	5.3
255.20995	7.5
269.22290	1.3
303.23065	1.8
347.25714	9.5
373.27225	7.1
407.32925	5.2
425.34070	6.7
435.32736	1.5
443.35098	100.0
453.33496	1.6
471.34439	2.3
489.35321	8.9
490.19669	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	26.7
55.24104	2.6
57.03425	5.2
57.07046	2.9
66.01955	3.0
66.11877	2.6
67.05504	30.0
69.07049	26.1
79.05489	26.4
79.17781	3.0
81.07039	56.2
83.04968	60.4
83.08599	6.9
91.05479	23.0
92.08858	6.0
93.07030	76.5
95.04955	12.6
95.08587	100.0
97.10101	4.3
98.98452	14.8
105.07011	66.8
107.08577	98.0
109.06519	6.7
109.10138	42.4
111.08076	3.7
117.06988	15.1
119.08565	88.2
121.10133	54.6
123.08064	4.7
123.11687	17.1
125.09601	15.1
131.08545	24.1
133.10106	66.7
134.37059	2.7
135.11671	27.9
137.09425	3.1
143.08551	16.4
145.10104	55.8
147.11642	36.7
149.13252	13.8
155.01013	4.6
157.10094	6.2
159.11678	56.0
161.13242	27.2
163.14824	12.1
171.11678	12.0
173.13214	26.4
175.14757	22.8
177.16386	3.8
183.11732	4.5
185.13400	3.3
187.14760	35.0
189.16335	33.6
191.17917	14.9
193.16116	4.0
199.14792	7.0
201.16336	50.1
203.17920	6.3
205.15855	4.2
213.16359	12.4
215.17938	34.8
217.15869	4.9
219.17372	7.2
227.18222	3.5
229.19504	4.2
235.16985	3.3
247.16948	16.2
261.18384	6.8
335.25726	6.6
386.05511	3.6
389.31940	4.4
395.29422	5.6
407.33063	34.7
423.32623	4.5
435.32520	17.6
453.33453	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	489.357
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.05501	23.9
57.03409	3.6
67.05497	37.4
69.07055	24.2
79.05461	18.0
81.07037	61.9
83.04971	72.3
83.08586	7.2
91.05438	26.3
92.08713	7.2
92.09270	7.7
93.07027	64.5
95.04950	12.0
95.08595	96.5
97.10150	4.5
98.98435	4.8
105.07005	69.3
107.08582	100.0
107.82304	4.1
109.06475	5.3
109.10141	39.3
111.08047	4.4
117.07026	9.5
119.08556	98.2
119.09381	5.1
121.06513	3.7
121.10116	52.9
123.08016	6.2
123.11671	19.3
125.09602	20.5
131.08516	32.5
133.10106	60.5
135.11678	29.7
137.13075	3.0
143.08549	13.6
145.10115	69.3
147.11684	41.2
149.13234	13.9
157.10115	15.6
158.10881	3.6
159.11674	55.7
161.13248	36.0
163.14824	19.6
169.10138	3.2
171.11613	4.9
173.13254	30.6
175.14810	19.3
177.16347	6.7
181.10295	3.5
185.13269	5.4
187.14828	43.5
189.16383	53.4
191.17873	7.6
199.14818	13.8
199.54457	3.0
201.16353	70.2
203.17850	11.4
205.15843	5.9
213.16354	21.0
215.17883	36.2
217.15897	13.5
219.17450	15.8
225.16187	3.2
229.19481	4.9
230.39041	3.7
235.16849	5.5
241.19452	5.4
247.16870	17.1
261.18433	6.8
267.20908	3.4
325.28745	3.4
335.25833	5.0
371.29144	4.5
389.32034	14.1
395.29349	7.6
407.33264	30.9
435.32321	18.1
453.33575	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	489.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27137	1.0
50.47001	0.9
51.52539	1.0
53.03954	1.2
55.05502	18.0
57.07062	2.4
67.05497	23.3
69.07051	12.2
73.18897	1.2
79.05483	20.2
81.07035	43.1
83.04965	71.7
83.08608	6.6
91.05453	23.7
92.09216	4.6
93.07020	55.2
95.04948	7.8
95.08582	62.7
97.10142	2.3
105.07011	56.9
105.56152	1.2
107.08576	100.0
109.06477	6.2
109.10143	38.3
111.08064	5.2
117.07001	6.0
119.08556	49.0
121.10116	38.3
123.08034	4.8
123.11673	13.3
125.09611	20.8
129.07005	1.7
130.07726	2.0
131.08542	25.7
133.10103	46.6
135.11665	29.2
137.51343	1.1
143.08485	9.5
144.09366	1.7
145.10109	36.9
147.11665	24.3
149.13228	9.6
151.11220	2.6
155.08466	1.5
156.09323	1.3
157.10117	10.3
158.10947	1.6
159.11670	37.9
161.13223	22.5
163.14755	9.1
165.16327	2.6
169.10130	1.9
171.11626	9.1
173.13234	25.9
175.14801	38.2
177.16304	10.1
183.11630	1.8
185.13196	7.8
187.14801	28.9
189.16357	9.4
191.14323	1.8
193.15854	9.1
197.13142	2.1
199.14819	13.1
201.09673	1.4
201.16356	32.0
203.17880	6.4
205.15848	2.0
213.16405	14.1
214.17174	1.6
215.17914	11.5
219.17555	2.0
223.14783	1.8
225.16386	1.9
227.17903	2.7
229.19472	1.5
231.17371	1.6
241.19452	5.3
243.20995	2.0
253.19330	1.9
255.21191	4.5
259.16833	2.8
267.20999	2.2
331.85077	1.3
341.24701	2.1
349.28690	3.0
389.31805	5.8
395.29266	12.0
402.04605	1.7
407.32947	29.1
409.34476	2.0
423.32294	2.4
435.32416	15.2
453.33548	39.4
511.75150	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.95976	0.8
54.24800	0.7
55.05497	8.2
56.25005	0.9
57.07067	1.5
67.05490	10.2
69.07054	11.0
79.05475	11.0
81.06591	1.6
81.07043	26.1
83.04983	1.5
83.08599	6.5
85.10217	1.0
91.05463	9.2
92.08994	1.5
93.07023	25.9
95.04938	5.0
95.08585	52.4
97.06525	1.3
97.10168	1.3
103.09267	1.0
105.07014	38.7
107.08576	56.3
109.06516	1.0
109.10140	28.0
111.08075	1.8
117.06991	4.2
119.08558	48.0
121.06467	2.3
121.10125	27.6
123.08065	2.2
123.11709	6.6
131.07629	1.7
131.08551	29.7
133.10106	40.6
135.08038	2.4
135.11674	15.3
137.09584	1.5
142.07794	1.5
143.08545	5.3
145.10121	29.5
145.27609	1.1
147.10602	1.6
147.11673	29.5
149.09549	3.5
149.13226	14.8
153.09093	6.8
156.09288	2.2
157.10109	9.4
158.10870	1.7
159.11656	19.0
161.09584	5.1
161.13258	18.5
161.14534	1.6
163.11160	3.9
163.14778	18.8
167.10666	1.9
170.10892	4.6
171.11632	7.0
172.12390	1.0
173.13229	48.0
175.11081	1.3
175.14804	21.7
177.12762	3.6
177.16380	11.3
183.11644	1.5
185.13254	9.6
187.14801	27.0
187.82260	1.0
189.12825	1.2
189.16339	11.3
191.14278	100.0
191.17938	4.9
193.12247	2.1
193.15814	1.9
199.14801	2.0
201.12955	1.2
201.16356	4.0
203.12489	1.3
203.14296	18.7
203.17929	61.4
205.15897	11.4
205.19493	9.0
211.14799	1.3
213.16339	4.3
214.78162	1.0
215.17825	1.4
217.15895	4.0
217.19444	1.4
221.15353	29.2
221.18803	1.3
227.94719	1.0
229.15849	1.1
235.16869	1.5
249.18474	13.7
283.47278	1.2
283.50247	1.1
294.99490	1.0
311.23602	4.5
389.31912	2.2
407.32999	5.8
421.38419	1.2
425.34064	25.9
435.32385	2.2
453.33554	20.5
471.34305	2.2
489.35010	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93035	0.9
53.48246	0.7
55.05495	4.3
57.07066	1.1
63.67114	0.8
67.05503	8.9
69.03411	1.1
69.07060	8.6
74.17345	0.8
79.05465	5.2
81.03421	1.1
81.07039	14.8
83.04964	1.9
83.08584	1.7
85.02889	1.1
85.06525	1.2
91.05454	5.4
92.09245	3.0
93.07024	13.8
95.04950	3.8
95.08585	25.7
97.06514	1.3
97.10147	0.9
105.03371	4.7
105.07013	14.5
107.08579	24.2
109.06478	4.4
109.10140	16.2
111.08067	3.5
117.06980	1.7
119.08585	17.8
120.08932	1.0
121.06509	1.4
121.09264	1.1
121.10129	25.1
123.08043	3.3
123.11703	4.4
125.09600	1.2
129.06976	1.4
131.08543	8.8
133.10109	13.1
135.08040	3.9
135.11638	7.9
145.10118	17.6
147.11649	16.4
149.05884	0.9
149.09642	1.9
149.13249	12.0
151.11105	1.1
157.10086	3.9
159.11656	12.7
161.13196	6.1
163.11171	1.7
163.14778	12.3
171.11630	3.3
173.13214	6.9
175.14787	5.8
177.16335	11.7
184.22078	0.9
185.13185	2.1
187.14780	26.4
188.15027	1.0
189.16353	5.1
191.14339	1.8
199.14845	2.0
201.16405	8.1
203.17839	1.2
205.15846	57.9
213.16322	1.3
215.17918	4.9
223.14949	1.1
223.16887	6.5
227.17905	0.9
229.19386	1.3
241.19441	1.2
253.19414	0.9
255.20992	3.9
263.81448	0.8
331.58020	0.9
407.33163	1.6
425.34018	5.2
443.35129	100.0
444.35638	1.1
471.34586	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	489.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.9
53.88451	3.4
54.13110	2.8
55.05504	23.2
57.07078	7.0
58.01319	3.2
58.04833	3.1
65.43819	3.1
67.05495	32.4
69.03422	5.1
69.07052	23.0
71.04979	7.7
79.05461	30.8
81.03390	13.7
81.07049	66.4
83.04963	6.1
83.08597	16.0
85.02902	7.6
85.06531	28.0
91.05460	29.9
92.08611	7.2
92.09219	18.6
92.73340	3.7
93.07016	52.2
95.04964	8.2
95.08593	67.8
97.10144	4.5
105.03401	14.9
105.07018	85.0
107.08582	100.0
109.06512	21.2
109.10148	70.3
111.08035	6.4
112.85557	3.9
117.06984	14.6
119.08559	93.1
121.06499	8.7
121.10123	91.0
123.08086	13.7
123.11690	20.8
125.09634	4.8
129.07018	7.9
131.08548	48.4
133.10095	91.7
134.10501	5.3
135.08032	5.0
135.11684	39.7
137.09615	17.1
141.06996	4.3
143.08557	26.5
144.09203	4.6
145.02805	4.0
145.10114	91.2
147.11674	42.9
149.09622	14.9
149.13260	15.5
151.11192	4.4
155.08479	13.7
156.09311	7.4
157.10098	62.0
159.11670	46.4
161.09650	7.8
161.13210	30.0
163.11182	22.2
163.14769	17.1
165.09103	14.2
169.10141	21.3
170.10886	13.9
171.11624	38.2
173.09578	4.2
173.13225	40.1
175.11099	4.4
175.14816	29.4
177.09210	4.4
177.16388	4.1
181.10185	6.3
182.10947	4.4
183.11717	31.8
185.13251	49.4
187.11179	3.9
187.14801	51.0
189.12766	8.4
189.16409	24.6
191.14215	13.7
195.11638	15.0
195.57092	3.5
197.13251	21.4
199.14815	26.8
201.12868	4.4
201.16365	8.2
203.14323	28.3
205.12367	4.2
205.15891	15.0
209.13274	14.5
211.14851	18.8
213.12740	4.3
213.16388	7.9
215.14412	14.3
217.15868	8.4
219.17401	3.5
221.13315	4.8
221.15372	3.9
223.14900	14.9
225.16338	14.4
227.14296	4.7
229.15991	7.3
237.16406	4.7
239.17860	4.2
247.16756	4.2
251.18010	5.1
255.17450	5.2
349.25211	4.5
351.26752	4.9
369.27600	4.9
375.26978	13.1
381.27710	6.8
393.27832	60.1
409.27118	6.8
411.29007	80.7
429.30118	4.2
439.28085	5.3
453.29880	17.5
471.30402	32.7
511.63232	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	489.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01153	0.1
53.03930	0.3
53.46488	0.1
55.01863	0.2
55.05517	0.2
57.03420	0.2
63.02351	0.3
67.05494	0.2
69.03407	0.9
69.07051	0.3
71.04978	0.3
76.03150	0.1
77.90717	0.1
79.05463	0.2
81.03409	1.9
81.07041	0.8
83.08617	0.2
85.02892	0.4
89.03890	6.8
91.05455	0.9
92.08691	0.2
92.09177	0.3
93.07025	0.7
95.04945	0.4
95.08588	0.9
99.04450	0.2
103.05427	0.7
105.03378	0.6
105.07023	0.8
106.04162	0.3
107.08570	0.9
108.36366	0.2
109.02850	0.3
109.06455	0.1
109.10148	0.7
116.04975	0.7
117.03353	28.9
119.04904	0.3
119.08532	0.3
121.06479	0.3
124.05179	0.2
127.03883	0.2
133.10109	0.3
134.03601	1.8
135.04388	2.3
145.02820	82.4
146.03224	0.2
147.04367	0.3
149.04742	0.3
149.05949	9.9
149.09674	0.2
149.53096	0.2
162.03009	0.2
163.03868	1.1
165.09045	0.4
167.06917	0.2
177.05424	100.0
178.05797	0.3
186.05437	0.7
191.06903	0.2
195.06560	0.2
201.03531	0.2
267.98468	0.2
321.09702	1.4
339.10718	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	31.1
57.03424	2.9
57.07071	3.9
59.04312	1.6
59.26503	1.4
64.47155	1.6
67.05139	3.9
67.05493	86.6
69.07051	49.4
71.04972	7.9
76.88448	1.8
79.05478	42.9
81.07036	100.0
83.04978	2.9
83.08613	15.9
84.82959	1.9
85.06535	6.9
91.05474	19.1
92.09087	3.8
93.07024	51.4
95.04957	3.6
95.08584	81.2
97.05965	1.9
97.06484	14.5
97.10149	16.9
105.07014	20.4
107.08587	36.7
109.10143	43.1
109.42308	1.6
111.08081	2.7
111.11725	3.6
117.07034	4.2
119.08542	23.5
120.08974	2.2
121.10123	40.0
123.08060	2.7
123.11679	8.5
125.09663	2.1
130.23918	2.0
131.08551	14.1
133.10066	17.2
135.08023	2.7
135.11627	17.5
137.09581	3.2
137.13156	2.2
139.11198	15.1
145.10143	14.6
147.11670	14.1
149.13274	10.5
159.11659	10.1
161.13258	11.8
163.09802	1.9
163.11200	2.1
163.14795	6.8
165.12837	2.1
173.11810	2.1
173.13254	9.2
175.14751	3.3
187.14778	1.9
232.97299	1.9
243.21112	4.2
256.25211	2.0
261.22037	16.9
277.21741	2.5
279.23132	32.0
297.24164	9.7
299.73981	1.9
311.21848	3.0
332.21112	1.9
399.32553	3.6
417.33466	28.0
435.34866	13.6
442.34201	2.4
453.35800	33.2
488.43301	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	488.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06639	0.7
52.33276	0.7
55.05505	8.0
57.07067	2.3
59.55275	0.8
67.05507	7.5
69.07057	13.8
79.05489	9.3
81.07038	27.0
83.08598	5.9
91.05479	11.1
92.08883	5.2
93.07021	27.7
93.07564	1.7
95.04942	1.8
95.08582	45.6
97.10157	1.6
105.07014	32.4
107.08575	49.0
109.06532	1.0
109.10151	19.8
109.40349	0.9
111.08067	0.9
115.93181	0.8
117.07006	5.9
119.08560	67.4
121.10107	30.2
123.11678	5.6
129.06982	1.2
131.08540	18.6
133.10106	42.2
135.11649	12.8
139.07527	1.2
143.08548	5.8
144.09306	5.0
145.10103	35.2
146.10841	1.4
147.11665	31.9
149.13235	25.8
153.09084	2.2
157.10077	8.1
158.10876	0.9
159.11659	18.0
161.13225	13.5
163.07497	2.0
163.14790	33.4
163.16052	1.9
169.10091	2.0
171.11653	5.6
173.13234	15.9
175.14783	28.2
177.09116	3.6
177.16391	10.5
179.10616	1.1
183.11700	1.7
185.13315	4.3
187.14781	64.3
189.16345	85.6
190.16664	1.5
191.17935	5.1
193.15857	1.5
197.13182	1.5
199.14822	5.0
201.16344	43.0
203.17914	17.8
205.15808	2.2
205.19576	1.2
207.17323	1.9
211.14760	1.3
213.16354	5.6
215.17924	31.7
217.19510	1.5
219.17245	1.7
225.16388	3.8
227.17880	11.8
229.15901	2.0
229.19453	16.1
234.39229	0.9
235.16934	1.7
239.17929	6.2
241.19444	4.8
247.16870	12.3
249.18530	3.7
253.19479	5.6
255.21021	1.9
261.18420	31.8
268.45685	1.2
273.18475	5.6
275.20001	1.7
281.22641	2.2
287.20132	1.5
299.20053	4.0
327.23160	1.2
327.55194	1.0
377.31934	20.9
389.32025	1.7
395.33017	5.1
407.32797	1.8
416.05084	1.2
423.32480	100.0
424.32986	2.1
435.32547	4.2
441.33530	53.0
453.33389	5.9
471.34827	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	488.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81313	3.3
55.05503	31.0
57.07056	14.9
66.91724	2.6
67.05494	62.3
69.06713	4.8
69.07054	96.0
71.04964	3.9
71.08601	3.9
71.44070	2.9
79.05466	22.3
81.06605	3.7
81.07043	87.0
83.08587	12.4
85.06518	14.3
91.05444	21.4
93.07016	53.6
95.04923	4.0
95.08588	78.2
97.06511	3.5
97.10162	5.4
105.07010	59.4
107.08569	79.6
109.06441	4.3
109.10146	100.0
111.08041	3.5
117.07010	6.2
119.08563	82.1
121.06451	12.5
121.10105	61.0
123.08047	7.5
123.11665	27.4
129.06944	5.1
131.08540	25.6
133.10094	56.0
135.08005	19.2
135.11667	28.4
137.09579	5.4
137.13248	4.0
139.11118	3.7
142.07738	5.2
143.08545	26.2
145.10106	42.9
147.08067	4.1
147.11671	50.8
149.09628	12.2
149.13214	18.4
151.11137	3.9
155.08562	4.1
156.09315	7.6
157.10132	46.3
159.08064	11.5
159.11620	36.7
161.09561	6.8
161.13214	32.3
163.11150	4.4
163.14810	5.6
169.10100	23.8
170.11006	3.8
171.11661	38.7
171.69038	3.2
173.09573	4.9
173.13213	33.3
175.11113	7.1
175.14799	17.8
177.12721	4.9
181.10081	5.2
182.10858	4.0
183.11702	29.8
185.13231	20.7
187.11171	4.5
187.14836	18.1
189.12660	16.9
189.16426	5.6
191.14256	13.5
193.12167	4.7
194.10826	4.0
195.11649	19.2
196.12390	14.5
197.13191	22.9
199.11116	6.2
199.14655	5.4
201.12766	26.1
201.16417	5.1
203.14264	11.8
203.17912	31.5
205.12389	3.4
206.10930	3.9
207.11661	12.2
208.12366	5.2
209.13246	23.0
210.14136	3.4
211.14836	16.7
213.12785	6.0
213.16302	4.7
214.16742	3.5
215.14311	18.0
217.12117	5.8
221.13242	15.8
222.13908	5.8
223.14763	20.0
225.12784	6.1
225.16325	12.5
227.14325	5.6
231.13715	4.6
235.14742	13.5
237.16359	6.0
239.14197	7.4
241.15797	15.6
243.17299	4.7
246.13928	3.9
247.14758	4.2
249.16283	10.9
251.14297	4.7
251.17862	11.6
253.15775	13.8
255.17479	6.0
261.16190	4.4
263.17807	5.8
265.15860	11.8
265.19354	3.0
267.17352	11.0
279.17450	5.5
281.18948	6.5
291.17450	4.7
293.18860	6.1
293.22717	3.6
298.54233	3.5
305.18890	4.0
307.20612	5.7
309.22058	4.1
321.22043	3.8
325.21512	4.8
329.09927	3.2
329.76154	3.2
333.25778	4.6
335.23495	5.0
347.23630	5.2
353.24527	4.5
377.28223	16.4
417.31302	48.9
435.32550	69.4
453.33569	37.2
471.11725	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	488.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.9
54.72611	0.5
55.01859	3.8
55.05514	0.7
61.02909	6.3
62.38082	0.6
63.29626	0.6
65.03912	3.4
67.05489	6.1
69.03419	1.6
69.07056	1.2
69.14677	0.6
70.06575	1.1
72.51650	0.7
74.30554	0.6
75.04444	1.2
78.04683	0.7
79.05467	4.1
81.03404	3.1
81.07008	0.6
83.08595	1.2
84.08148	0.8
85.02890	7.4
86.09696	1.3
89.03886	1.2
91.05470	10.2
92.08558	1.5
92.09184	4.8
93.03400	7.7
93.07044	4.8
95.04945	94.2
97.02878	6.4
97.06495	3.0
103.05450	6.6
105.03357	1.4
105.04494	3.9
105.06994	3.7
105.30518	0.7
106.04153	19.7
107.04931	5.4
108.02077	1.5
109.02866	4.4
109.06476	1.2
109.10127	0.6
109.84547	0.6
110.03149	0.9
111.04434	0.7
112.25121	0.7
115.05472	0.6
119.04941	1.4
121.04042	0.6
121.06472	23.8
123.04406	100.0
124.05250	0.9
125.02290	1.2
125.05951	6.0
127.03890	2.9
127.07541	3.2
130.15857	2.7
131.04924	3.9
132.05695	0.9
133.06467	3.2
134.03613	3.3
135.04384	2.9
137.05962	5.9
138.06810	0.8
139.07513	1.5
140.04662	26.4
144.37943	0.7
145.02756	0.8
147.04402	2.7
148.05157	4.3
149.05957	37.9
151.03947	1.3
151.07497	3.7
153.05441	1.1
153.09102	6.9
155.07004	47.1
159.04361	1.0
161.05917	4.9
163.03894	3.3
163.07512	3.3
165.05450	1.6
166.06226	1.1
167.06999	16.6
177.05428	21.6
179.06995	2.7
180.07768	1.6
181.08574	14.2
183.06493	71.6
188.53302	0.7
191.07018	5.2
192.07712	3.1
193.08641	3.7
195.06483	6.1
209.08058	57.9
225.07559	1.3
227.09108	0.9
243.08562	4.5
313.46680	0.7
403.13669	1.0
435.16290	1.0
473.90762	0.8
478.54834	0.8
488.12146	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	487.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82314	2.6
52.00805	2.4
52.34719	1.9
52.59672	2.1
54.34283	2.0
55.05500	13.8
55.16835	2.7
56.38041	2.2
56.65256	2.3
57.07055	5.9
64.99052	2.6
65.09819	2.3
67.05505	13.4
69.07046	15.5
72.04493	15.0
77.15463	2.6
79.05473	13.2
81.07036	23.4
83.08587	5.0
91.05468	6.2
93.07027	16.5
94.61303	2.4
95.04917	2.4
95.08584	50.1
97.10167	4.7
104.88003	2.6
105.07001	27.6
107.08569	44.7
109.10135	30.7
113.69857	2.6
119.08567	38.6
121.10103	34.5
131.08527	6.0
133.10114	41.9
135.11746	19.5
143.08496	2.8
145.10104	17.8
147.11670	29.6
149.13258	14.5
154.62639	2.8
159.11665	13.4
161.13235	13.4
163.11169	3.9
163.14754	20.0
175.14777	19.0
177.16353	20.6
179.14247	3.1
187.05089	2.5
187.14771	5.9
189.16354	34.6
201.16383	11.1
203.17912	100.0
205.15866	29.3
263.20032	11.8
317.82214	3.0
409.34552	39.4
436.32385	3.1
451.35617	4.7
459.98053	3.1
487.34363	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	487.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43827	2.4
55.05505	11.7
57.07060	4.9
59.31258	3.0
67.05479	15.3
69.07047	15.6
79.05491	12.2
81.07029	24.2
83.08587	4.6
83.17507	2.4
87.04466	2.5
91.05460	4.1
91.16026	3.2
92.08805	3.2
93.07020	21.5
94.41409	2.8
95.08583	64.5
103.90503	2.6
105.07013	21.3
105.28340	3.3
107.08582	67.5
109.10133	34.9
119.08563	66.8
119.09378	3.8
121.10127	43.7
123.11693	11.0
133.10114	61.1
135.11690	17.4
145.10065	19.0
147.11710	22.9
159.11653	18.1
161.13245	22.6
163.11160	12.6
163.14781	6.2
173.13338	3.7
175.14792	21.2
175.20442	3.0
177.16371	18.1
187.14795	12.5
189.06485	3.4
189.16345	25.6
201.16306	6.3
203.17921	100.0
205.15865	57.1
207.17545	2.8
240.83607	2.7
263.20029	18.7
409.34573	32.1
427.44528	2.8
451.35706	4.3
476.49911	2.8
487.36435	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3756
Annotation	Batzelladine E
Peak:m/z	Relative Intensity
52.85773	3.0
68.07305	3.4
69.07044	3.5
77.67290	3.3
79.62681	3.3
87.04450	4.0
92.09103	18.4
114.37029	4.5
199.26987	5.1
224.92493	4.0
323.64511	4.8
443.35229	5.1
487.37207	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	487.3414
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
51.15285	0.5
52.50849	0.5
55.05497	3.3
57.07058	1.1
59.01090	0.5
63.39998	0.5
67.05482	4.1
69.07048	5.5
71.04996	0.5
72.51017	0.5
76.56444	0.6
79.05467	2.9
81.07030	8.0
83.04949	5.3
83.08589	2.8
85.06521	0.9
91.05454	3.4
92.09000	4.3
93.07020	9.3
95.04922	2.1
95.08571	12.8
97.06512	1.2
105.07005	16.4
107.08568	14.1
109.06475	2.5
109.10141	10.5
111.08086	1.2
117.06961	1.2
119.08538	20.3
121.06483	1.4
121.10110	15.8
123.08035	2.6
123.11684	3.7
129.06999	0.6
131.08549	7.2
133.10091	20.1
135.08008	2.7
135.11670	5.5
137.09645	1.1
143.08530	4.9
145.10092	12.0
147.08011	2.3
147.11662	8.5
149.09584	4.1
149.13203	3.7
151.11104	1.4
153.09161	1.2
155.08545	2.6
157.10063	5.4
159.08067	0.9
159.11658	6.9
161.09590	4.5
161.13197	5.4
163.11169	1.0
163.14832	3.5
169.10112	3.4
171.11662	4.6
173.13188	9.3
175.11179	2.5
175.14767	13.2
177.09035	0.9
177.12698	1.3
177.16368	3.6
183.11624	4.3
185.13219	2.3
186.85696	0.6
187.11256	1.0
187.14807	11.5
189.12738	3.3
189.16335	25.2
191.14259	2.8
191.17998	0.8
197.13167	5.9
199.14839	5.7
201.12767	1.2
201.16391	2.4
203.14304	0.6
205.15886	4.0
207.17369	0.9
211.14772	3.4
213.16376	3.2
215.14279	7.3
215.17688	0.7
217.15829	11.5
227.17947	2.6
229.15852	1.1
229.19443	1.0
231.17468	0.8
233.15352	3.6
235.16962	3.0
239.17831	0.9
241.19456	1.3
243.20932	1.0
245.19044	0.7
251.16272	4.8
253.19547	3.7
257.18924	1.1
271.20490	6.8
299.20114	0.8
314.36179	0.7
317.21005	1.0
336.81451	0.7
405.31393	5.1
423.32428	4.8
433.30887	0.9
441.33609	11.3
451.31955	5.6
469.33200	3.4
485.86783	0.7
487.34076	100.0
488.34409	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3413
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05502	15.4
57.07046	2.8
60.17394	2.8
62.51743	3.0
63.10307	2.6
64.32631	2.8
65.84280	2.6
67.05497	26.5
68.08486	2.2
69.07062	19.9
70.86200	3.0
71.04951	2.3
79.05476	22.1
81.07050	50.6
83.04979	4.9
83.08614	6.3
87.77484	2.9
91.05467	21.2
92.09037	4.6
93.07027	55.8
95.04986	5.6
95.08587	88.0
97.06542	3.5
105.03369	3.2
105.07026	70.4
107.08570	96.4
109.06460	2.8
109.10149	44.8
110.08672	2.6
111.08115	4.3
117.06992	5.9
119.08566	100.0
121.06483	6.1
121.10117	46.3
123.08060	5.6
123.11681	12.3
128.06119	2.7
129.06990	2.8
131.08534	35.5
133.10110	69.0
135.08031	12.5
135.11656	28.1
142.07742	3.7
143.08553	18.5
145.10098	58.0
147.07997	3.5
147.11661	50.7
149.09644	5.1
149.13261	23.1
156.09335	6.0
157.10124	24.5
159.08017	3.2
159.11674	38.6
161.09596	10.9
161.13213	31.1
163.11182	5.0
163.14771	23.0
169.10089	6.6
170.10994	6.0
171.11652	19.7
172.12384	3.3
173.09644	4.6
173.13190	33.9
175.11223	3.8
175.14825	33.0
177.12714	3.5
177.16403	24.8
185.13164	20.5
187.14809	39.8
189.12825	11.4
189.16376	41.3
191.14281	33.9
191.17998	5.1
197.13269	5.2
199.14841	6.0
201.16396	27.2
203.14317	18.5
203.17885	32.0
205.15823	5.3
207.13800	2.9
211.14772	4.2
213.16368	12.2
215.14212	13.2
215.17899	10.8
217.15819	12.9
221.15234	6.8
227.17857	3.3
229.15976	4.9
229.19472	5.8
231.17328	4.4
235.16907	6.6
247.16962	11.8
304.85852	3.4
387.30298	3.6
393.31705	4.4
405.31363	22.5
421.31052	5.3
423.32404	34.4
433.31042	5.6
439.32098	3.9
441.33508	37.5
451.31851	15.7
469.33008	6.9
487.33728	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3418
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03925	1.6
54.10376	1.4
55.01863	1.5
55.05509	17.5
57.03432	2.0
57.07058	3.6
59.04990	1.8
63.11240	1.3
67.05492	22.1
69.03414	6.8
69.07051	19.0
71.04977	2.2
79.05478	16.8
80.78983	1.5
81.07044	39.3
83.04961	3.0
83.08607	8.9
85.02885	2.8
85.06511	2.3
91.05469	19.8
92.08895	9.2
93.07021	40.7
95.04936	10.0
95.08584	54.2
97.06509	6.6
97.10191	2.3
99.45068	1.4
105.03365	10.5
105.07012	67.5
107.08584	52.1
109.06505	9.0
109.10137	28.8
111.08053	7.7
117.07009	8.1
119.08555	100.0
121.06487	7.5
121.10129	38.1
123.08060	10.4
123.11684	10.3
125.09595	2.0
128.06238	1.6
129.06982	8.3
131.08543	33.2
133.06502	2.4
133.10103	68.3
135.08098	10.4
135.11687	18.2
137.09590	3.2
137.13234	2.6
141.06956	2.3
142.07745	7.4
143.08530	18.4
143.57671	1.6
144.09286	3.3
145.10110	55.3
146.07227	1.7
147.08017	7.2
147.11667	39.6
149.09625	8.2
149.13225	11.5
153.09058	3.6
155.08490	2.0
156.09331	6.1
157.10094	25.8
158.10890	2.8
159.08089	2.5
159.11658	45.9
161.09616	14.7
161.13197	21.3
163.11145	8.8
163.14787	13.5
169.10156	2.9
170.10886	3.0
171.11655	14.2
173.09613	2.5
173.13202	28.9
175.11211	10.3
175.14777	26.5
177.12701	1.7
177.16356	10.2
179.10542	2.0
183.11662	2.6
184.12469	2.9
185.13300	11.5
187.14774	39.7
189.12730	6.9
189.16338	61.3
191.14301	15.1
191.18034	2.1
193.10135	1.5
193.12122	2.9
197.13263	2.5
199.14761	17.8
201.12683	2.1
201.16338	56.1
203.14267	9.4
203.17909	22.8
205.15836	9.1
207.17383	3.3
211.14731	2.2
213.16385	9.3
215.14262	3.0
215.17859	9.1
217.15897	13.8
221.15396	8.1
227.17874	2.5
229.19508	2.2
235.16855	19.8
239.16422	6.9
243.17194	2.0
243.20972	1.8
247.16835	10.0
259.07980	1.5
269.22552	2.1
271.24170	2.1
365.27872	2.1
393.31418	9.6
405.31433	9.1
421.31262	2.6
423.32581	14.5
433.30783	6.1
439.32077	2.9
441.33664	6.5
451.31906	7.1
469.32642	3.6
487.22940	3.2
487.34296	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3416
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.71428	1.3
55.05504	16.6
57.07063	3.6
62.37883	1.4
65.03920	1.8
67.05502	18.1
69.07050	20.7
69.99901	1.4
73.35786	1.4
74.50011	1.2
79.05479	13.5
81.07044	41.3
81.70914	1.5
83.04964	2.6
83.08593	8.5
89.56985	1.6
91.05476	17.0
92.08955	2.3
93.06480	2.5
93.07023	44.7
95.04935	6.6
95.08584	90.1
97.06463	2.9
97.10139	3.0
99.21552	1.9
100.14183	1.5
105.07014	60.9
107.08578	84.7
109.06484	8.2
109.10152	33.5
111.07969	5.2
113.55470	1.7
117.07004	8.6
119.08562	100.0
121.06513	17.9
121.10115	56.3
123.08047	12.6
123.11657	14.6
129.06976	3.8
131.08540	35.5
133.10103	74.4
135.08028	20.3
135.11685	26.4
137.09615	3.4
137.13271	2.4
142.07773	6.9
143.08562	19.3
144.09389	2.0
145.06487	1.9
145.10100	65.6
147.08069	20.2
147.11667	37.7
149.09576	10.2
149.13228	14.5
151.07579	2.0
151.14885	1.7
153.09059	2.3
155.08507	2.9
156.09334	7.6
157.10098	24.5
158.10844	2.5
158.99655	1.4
159.08028	3.3
159.11664	40.5
161.09579	25.2
161.13235	40.7
163.11145	10.2
163.14793	19.8
165.09103	2.4
167.10692	1.6
169.10094	7.6
170.10905	2.6
171.11650	21.9
172.12560	1.7
173.09561	6.9
173.13205	41.5
175.11153	10.2
175.14801	37.3
177.12701	6.3
177.15051	2.2
177.16373	27.1
183.11636	3.7
184.12483	3.6
185.13257	13.9
187.11191	3.1
187.14786	56.9
189.12708	48.0
189.14326	2.1
189.14693	2.6
189.16339	50.5
191.14276	11.7
191.17888	19.8
193.12265	2.1
196.12421	1.7
197.13261	9.5
199.14767	27.6
201.12721	6.5
201.16341	29.2
203.14282	27.5
203.17946	23.4
205.15840	8.2
207.13751	9.5
207.17317	6.2
211.14812	6.2
213.16394	15.3
215.14317	16.0
215.17867	18.7
217.15883	21.6
219.13846	2.4
219.17467	2.0
227.17876	1.7
229.15776	3.5
229.19394	2.9
231.17436	3.2
233.15250	8.4
235.16890	18.9
239.18013	2.0
241.19472	1.9
247.17006	4.5
251.16354	6.4
261.18488	6.8
267.20844	2.8
281.22519	2.1
309.25696	1.7
377.32062	2.2
387.30368	6.2
393.31396	20.9
405.31512	16.8
421.30927	3.2
423.32516	25.4
425.34128	1.8
433.30963	15.9
439.31842	12.1
441.33572	31.3
451.31885	14.6
469.33157	12.6
487.33371	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	487.3417
Annotation	Acerinol
Peak:m/z	Relative Intensity
53.03938	0.4
55.05496	3.4
57.07064	0.8
58.33456	0.3
59.04985	0.4
66.25610	0.3
67.05499	4.5
68.80814	0.3
69.03418	0.7
69.07048	5.8
70.57660	0.3
73.70738	0.4
79.05466	2.9
81.07032	9.3
83.04965	4.8
83.08601	3.6
85.06541	0.7
88.55589	0.4
91.05471	4.0
92.08912	1.6
93.07022	9.6
93.07562	0.5
95.04962	2.4
95.08585	15.6
97.06497	0.8
97.10163	0.7
99.08096	0.4
105.07008	15.8
107.08577	14.8
109.06512	2.3
109.10143	10.7
109.10836	0.5
111.08080	2.3
114.39857	0.4
117.07011	2.2
118.03497	0.3
119.08557	23.3
121.06488	1.7
121.10123	18.4
123.08048	2.6
123.11671	4.3
125.09624	0.7
128.06187	0.5
129.06998	1.5
129.87291	0.4
131.08548	6.7
133.10109	22.3
135.08011	3.0
135.11673	8.0
137.09546	1.3
137.13252	0.8
139.07518	0.5
139.11186	0.6
141.07002	0.7
142.07817	0.7
143.08553	4.3
144.09346	0.4
145.06470	0.7
145.10088	12.0
145.11189	0.4
147.08064	1.6
147.11670	9.0
149.09615	3.3
149.13234	4.3
151.11133	0.7
153.09117	1.8
155.08505	3.1
156.09349	0.7
157.10114	6.2
159.07985	0.9
159.11653	8.4
161.09573	5.8
161.13229	6.9
163.07445	0.8
163.11171	2.6
163.14778	3.0
165.09059	0.4
169.10124	2.6
170.10783	0.5
171.11646	4.8
172.12506	0.5
173.09598	2.5
173.13205	8.7
175.11191	2.6
175.14786	15.3
177.12758	1.6
177.16411	2.4
182.10889	0.7
183.11656	3.9
185.13213	4.1
187.11172	2.5
187.14784	12.0
189.12732	3.1
189.16350	13.7
191.14355	0.6
191.17955	2.0
193.15849	0.8
195.11702	0.6
197.13266	3.2
199.11176	0.4
199.14783	7.5
201.12749	2.2
201.16411	2.6
203.14331	1.8
203.17871	0.7
205.15895	1.8
207.17450	0.8
209.13199	0.7
211.14845	2.3
213.16371	2.7
215.14355	7.5
215.17911	0.9
217.15817	6.3
225.16263	1.3
227.17882	3.2
229.15961	0.7
229.19493	1.4
231.17368	0.6
233.15364	3.3
235.14885	0.5
235.16933	2.4
239.17943	1.6
241.19617	0.9
245.19142	0.6
251.16156	4.3
253.19556	2.7
255.21010	0.5
257.18942	1.7
265.19534	0.9
267.21075	0.9
271.17914	0.4
271.20432	3.1
273.18610	0.6
289.17929	0.7
291.21045	0.9
299.19839	0.5
301.21759	0.5
309.22092	0.8
317.21286	0.6
385.57352	0.5
387.30545	1.6
402.70004	0.4
405.31677	4.3
423.32797	3.5
433.31073	3.0
441.33463	3.9
451.32040	13.6
469.33160	9.8
487.34113	100.0
488.34555	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3414
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.00320	0.6
53.03928	3.0
55.01859	0.8
55.05510	7.7
57.07055	1.7
59.04983	1.3
61.02890	1.0
66.01905	0.6
67.05488	10.3
69.03414	3.5
69.07051	11.1
71.04954	0.7
73.02885	0.8
75.97181	0.6
79.05469	9.6
81.03397	4.0
81.07036	21.4
83.04958	4.6
83.08611	5.8
85.02879	3.1
85.06530	1.2
91.05450	10.0
92.09193	1.4
93.07019	18.6
95.04958	6.3
95.08577	31.4
97.02872	3.4
97.06495	1.6
97.10147	1.7
105.03371	29.9
105.07008	40.3
106.07368	0.7
107.08572	38.3
107.09299	1.5
109.06470	6.1
109.10135	26.4
109.10851	1.2
111.08076	2.6
115.05402	0.8
117.07005	1.7
117.55350	0.7
119.08556	38.0
120.08900	0.7
121.06497	2.8
121.10119	22.8
122.56133	0.6
123.01813	0.6
123.04418	3.3
123.08053	4.2
123.11674	8.6
125.09623	0.8
128.36472	0.7
129.00861	0.7
129.06987	2.4
131.08537	12.1
133.06488	0.8
133.10100	39.6
135.08023	4.5
135.11658	13.7
137.09628	2.9
137.13222	0.8
142.07768	0.7
143.08585	6.5
145.10095	21.2
147.08017	1.5
147.10606	1.1
147.11674	18.4
149.09608	3.9
149.13223	5.2
151.11168	1.7
153.09117	1.5
155.08548	1.4
157.10089	10.2
159.07982	1.1
159.11655	13.1
160.50612	0.7
161.09613	6.9
161.13252	10.1
163.11142	1.7
163.14795	8.0
165.09108	0.7
169.10054	5.1
170.10889	0.7
171.11639	9.0
172.12445	0.8
173.09590	0.8
173.13210	11.1
174.14148	0.6
175.11177	3.1
175.14763	21.9
175.16125	1.0
175.42853	0.7
177.09058	0.8
177.12741	1.0
177.16344	3.2
179.10605	1.0
183.11705	4.5
185.13245	4.3
187.14749	15.7
189.12735	3.2
189.16348	21.4
191.14394	3.0
191.18028	0.7
197.13228	6.7
199.11400	0.7
199.14772	9.6
201.12604	0.8
201.16330	8.5
203.14308	2.8
203.17920	7.9
205.15761	5.4
207.17441	0.7
209.13234	0.9
211.14859	3.2
213.12941	0.9
213.16351	6.0
215.14253	7.9
215.17863	1.4
217.15852	9.5
221.15392	0.7
223.14804	1.3
225.16400	1.1
227.14305	1.2
227.17941	3.8
229.15887	2.6
229.19551	1.4
231.17320	1.5
233.15224	6.1
235.16939	1.7
237.16310	1.5
239.17941	1.3
241.19514	3.4
243.17361	1.3
245.15359	1.0
245.18947	0.7
249.07590	0.9
251.16399	3.0
253.19432	4.0
257.18979	2.8
267.08850	1.4
267.21100	0.9
271.20416	5.1
285.10144	0.9
295.20490	0.8
311.23465	0.9
319.24182	0.9
387.30322	3.1
393.31760	1.1
405.31485	9.7
423.32581	8.9
433.30936	4.4
439.32007	5.4
441.33786	7.2
451.31943	13.5
469.33017	23.8
487.34134	100.0
488.34830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3415
Annotation	Acerinol
Peak:m/z	Relative Intensity
55.05510	15.9
56.05983	1.5
57.07064	2.2
59.04975	1.7
60.37512	1.3
60.80499	1.6
64.03211	1.6
67.05489	14.2
69.03401	2.1
69.07060	17.5
71.77564	1.6
75.64317	1.9
78.44553	1.8
79.05468	14.3
81.06602	1.9
81.07049	31.2
83.08605	8.9
91.05457	20.4
91.27495	1.6
92.08881	2.7
93.07024	41.7
95.04945	3.9
95.08587	52.6
97.06506	8.5
97.10139	1.7
105.06364	3.5
105.07018	68.5
107.08569	63.4
109.06490	8.3
109.10146	27.1
111.08080	2.6
117.06995	13.2
119.08556	100.0
121.06487	8.4
121.10125	44.2
123.08003	4.4
123.11699	3.5
128.06212	2.2
129.07007	3.4
131.08537	44.3
133.06471	2.1
133.10112	84.6
135.08038	10.5
135.11641	13.8
137.09599	3.3
142.07718	4.1
143.08545	16.4
144.09308	3.2
145.10104	67.8
147.08029	7.0
147.11665	41.1
149.09581	3.2
149.13245	12.0
153.09116	6.0
155.08562	6.9
156.09282	7.0
157.10092	25.0
159.11662	56.7
161.09560	17.0
161.13211	18.4
163.11116	7.9
163.14780	8.9
169.10123	2.6
170.10869	3.4
171.11662	16.7
172.12413	2.3
173.09741	2.3
173.13228	41.2
175.11180	13.6
175.14807	23.2
177.09065	8.3
177.12703	8.1
177.16360	3.9
179.10593	3.7
183.11642	7.2
184.12483	2.3
185.13196	12.1
187.11147	2.1
187.14789	35.0
189.12778	7.2
189.16339	44.3
191.14282	40.8
191.17908	4.2
199.14827	19.9
201.16347	43.4
203.14264	19.6
203.17876	22.3
205.15858	7.8
205.19327	2.0
213.16422	8.2
215.14178	2.6
215.17915	7.1
217.15823	13.6
221.15335	11.7
225.16446	2.3
229.15984	7.0
229.19379	3.2
235.16881	21.8
239.16310	20.4
247.16850	21.0
249.18672	2.3
275.26413	1.7
382.66400	2.0
393.31482	3.9
405.31348	8.8
421.31250	2.5
423.32382	19.2
439.31635	8.7
441.33640	8.6
451.31839	7.9
469.33023	6.7
487.33994	2.3
493.95230	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
54.81486	1.2
55.01854	1.0
55.05500	16.5
56.96556	2.8
57.03426	1.9
57.07067	2.7
58.51120	1.0
59.04975	1.1
61.72042	1.1
67.05489	16.2
69.03413	5.8
69.07055	17.1
70.90597	1.1
71.04945	4.1
71.95052	1.3
71.95594	1.1
79.05479	14.6
80.92623	1.1
81.03415	1.3
81.07033	36.4
82.29034	1.2
83.04946	4.4
83.08598	9.7
85.02864	2.1
85.06527	2.0
91.05457	23.4
92.09010	8.7
93.07015	41.0
95.04932	10.3
95.08581	62.5
97.06506	7.6
97.10164	2.3
98.74409	1.2
99.04446	1.4
103.05488	1.4
105.03372	5.2
105.07014	68.1
107.08571	60.4
108.17107	1.1
109.06485	8.5
109.10143	28.9
111.08036	4.8
117.06969	11.2
119.08553	100.0
121.06471	10.2
121.10109	38.2
123.08020	9.2
123.11679	8.4
128.06245	1.5
129.06987	6.5
131.08533	42.8
133.06438	1.9
133.10101	75.2
135.08028	9.8
135.11662	18.5
137.05902	1.2
137.09619	8.6
139.07503	2.2
142.07753	5.8
143.08542	19.9
144.09325	4.8
145.10095	60.1
147.08026	7.8
147.11659	35.4
149.09598	8.8
149.13237	14.8
151.11165	2.2
153.09111	5.2
153.85104	1.3
155.08537	2.4
156.09334	2.8
157.10101	30.6
158.10982	3.5
159.08075	2.0
159.10365	2.5
159.11659	58.4
161.09567	15.2
161.13199	18.5
163.07492	2.7
163.11121	11.2
163.14803	12.8
165.09084	3.0
165.12639	1.8
167.10663	2.6
169.10092	7.9
170.10866	6.3
171.11662	16.3
172.12447	2.3
173.09534	1.3
173.13217	40.9
175.11165	10.5
175.14778	28.3
177.09090	7.2
177.12697	6.5
177.16353	5.4
179.10620	2.5
181.10225	1.2
183.11639	4.8
184.12387	1.8
185.13185	18.7
187.14803	38.0
189.12747	7.9
189.16335	42.3
191.10716	1.7
191.14270	44.1
191.17810	9.3
197.01212	1.8
197.13275	5.1
199.14786	19.0
201.16350	42.7
203.14268	21.2
203.17897	18.7
205.15849	10.1
207.11833	1.5
207.17393	3.0
209.13179	1.4
211.02621	1.4
211.14873	4.4
213.16287	8.7
215.02214	2.9
215.14394	1.9
215.17949	7.9
217.15816	16.7
217.19414	1.4
221.15262	14.2
225.16292	1.8
227.17902	2.2
229.15817	4.7
229.19450	2.8
231.17575	1.7
235.16879	20.3
239.16296	19.2
241.19606	2.2
247.16893	20.2
249.18365	2.6
257.32877	1.2
327.23108	1.3
352.54019	1.4
387.30493	1.9
393.31491	6.6
405.31509	9.4
421.30695	1.5
423.32562	12.9
427.10666	2.6
433.30801	4.9
439.31821	8.1
441.33325	2.5
451.31940	6.6
469.32892	7.0
487.26260	1.3
487.33960	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	15.3
56.96540	3.6
57.07062	3.5
62.33832	2.9
63.86391	3.3
66.00413	3.0
66.41217	3.4
67.05493	29.9
69.03403	5.9
69.07053	18.3
71.04961	4.2
79.05472	31.9
81.03374	4.4
81.07033	41.1
81.32949	2.8
83.04962	8.2
83.08582	7.8
85.02898	5.5
89.61407	2.9
90.15511	3.2
91.05468	27.4
92.08794	5.2
92.09277	4.1
93.07011	42.9
95.04956	18.0
95.08584	67.8
97.02864	4.3
97.10126	4.6
97.63467	3.2
100.19704	3.2
105.03357	18.9
105.07002	68.3
106.07314	4.4
107.08572	68.9
109.06510	7.0
109.10135	38.3
111.04431	3.7
111.08042	4.5
117.07016	8.1
119.08551	100.0
121.06489	7.0
121.10107	50.3
123.08066	8.1
123.11665	12.5
125.09619	4.4
128.32364	3.3
129.06891	3.6
131.08533	36.1
133.10086	52.5
135.08081	3.7
135.11688	14.0
137.09595	6.9
139.01520	3.2
142.07730	5.7
143.08528	20.0
145.10089	80.5
147.11673	37.8
149.13248	7.5
153.09026	4.9
155.08553	5.1
156.09331	4.0
157.10107	25.0
159.11665	59.7
161.13223	21.5
163.11090	4.3
163.14745	14.0
169.10069	7.3
170.10881	5.0
171.11653	25.3
173.13188	37.7
175.11180	4.4
175.14789	20.1
177.09169	5.8
183.11699	6.7
185.13203	18.2
187.14758	33.6
189.12721	4.5
189.16321	28.9
191.14279	7.2
197.13309	4.2
199.14766	22.9
201.16330	26.9
203.14314	4.0
203.17995	13.4
205.15909	4.9
211.14813	6.8
213.16400	4.3
215.17906	4.5
217.15840	8.4
235.16820	5.5
247.16856	13.3
249.18526	3.7
257.15372	3.6
365.51547	3.5
405.31580	14.3
423.32742	7.3
451.31970	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	487.3416
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.00300	2.0
53.03939	1.9
55.05267	2.2
55.05501	19.2
57.03406	2.9
57.07071	3.3
60.68594	1.7
67.05490	37.1
69.03435	2.1
69.07056	30.6
71.04968	2.7
74.84518	2.3
75.55277	1.9
79.05476	28.0
81.07042	61.5
83.04967	9.4
83.08602	12.1
85.06536	3.0
91.05447	31.3
92.09055	8.3
93.07023	74.1
95.04942	10.1
95.08588	79.3
95.09196	2.6
95.21552	2.0
97.06534	9.1
99.04446	2.5
105.07017	75.1
107.08576	97.0
109.06477	14.9
109.10148	43.8
111.08098	2.7
113.05972	15.8
117.06969	15.7
117.18718	2.1
119.07717	3.8
119.08562	100.0
119.09396	4.5
121.06492	5.0
121.10120	90.2
123.08040	16.4
123.11688	19.4
125.05908	2.5
128.06177	2.6
129.06975	3.6
131.08548	49.0
133.10110	81.1
135.08044	9.7
135.11664	37.2
137.09605	10.5
137.13216	3.1
142.07800	2.5
143.08559	23.3
144.09338	2.7
145.10104	69.7
147.08009	3.1
147.11670	48.2
149.09579	16.7
149.13216	21.4
151.07605	2.2
151.11246	3.1
156.09389	3.5
157.09026	2.3
157.10056	19.2
158.10794	3.2
159.11671	47.1
159.87888	2.0
161.09592	5.3
161.13179	21.4
163.07437	2.4
163.11174	4.7
163.14806	13.6
165.09088	22.8
169.10114	9.7
170.10951	3.5
171.11700	26.4
172.12404	2.8
173.13202	42.3
175.11166	9.1
175.14790	56.1
177.09134	2.6
177.12796	4.6
177.16380	16.4
181.10065	2.5
183.11696	5.3
185.13222	22.9
187.14778	63.6
189.16339	29.7
191.14287	17.9
191.17859	4.1
197.13306	11.1
199.14796	26.7
201.16315	41.6
203.14297	13.5
203.17929	17.2
205.15974	3.6
209.15259	3.1
211.14816	4.6
213.16394	11.7
214.16988	3.7
215.14413	4.0
215.17885	16.5
217.15874	12.8
219.13849	8.1
221.15428	2.9
227.17874	4.3
229.15875	4.8
229.19530	11.8
230.28793	2.0
231.17482	2.9
233.15311	4.9
235.16930	4.4
239.17986	3.3
241.19537	4.1
247.16960	9.6
249.18518	2.7
251.16286	4.6
253.19432	3.4
355.26395	5.3
387.30341	4.4
405.31290	20.4
423.32452	38.2
433.30945	16.9
441.33502	20.4
451.31821	17.8
469.32910	19.6
487.34033	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	487.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57959	0.3
54.81859	0.5
57.03413	0.8
67.05478	0.7
69.03426	1.8
69.07053	0.6
70.06572	0.5
71.05007	0.6
72.08146	1.7
73.02905	0.7
79.05470	0.9
81.03381	0.9
81.07036	0.9
83.04937	0.5
85.02883	1.0
86.09705	1.6
91.05484	0.8
92.08886	3.4
93.07027	1.9
95.04945	1.0
97.02869	0.9
97.06496	2.4
98.73441	0.4
100.98547	0.4
105.03382	3.0
105.07034	0.8
107.08568	0.6
109.02888	0.6
115.03915	0.4
117.03380	3.5
119.08571	0.8
123.08064	0.4
127.03931	0.9
137.05916	1.0
145.02820	8.6
147.04488	0.4
149.05959	1.0
159.11642	0.4
163.03934	1.6
163.11133	0.5
170.61359	0.4
170.91344	0.4
177.05443	10.4
215.07039	0.4
259.09637	1.5
260.09961	1.5
275.07349	0.6
335.09409	10.7
355.17191	2.5
387.20816	0.4
487.21405	100.0
488.21774	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.05499	1.6
55.32676	0.5
56.96281	1.0
56.96557	29.6
57.03417	0.7
57.07079	0.7
57.18315	0.6
67.05483	4.4
69.03407	3.5
69.07047	4.5
71.04978	1.3
79.05463	3.7
81.03388	8.2
81.07049	7.5
83.04958	1.4
83.08578	1.2
84.96015	14.2
85.02889	3.0
85.06517	1.0
90.87572	0.6
91.05450	4.1
92.09195	3.8
93.07021	6.2
95.04929	3.9
95.08585	7.5
97.02863	3.0
97.06522	1.2
98.97582	4.0
99.04436	0.9
102.97036	2.5
105.03374	17.9
105.07023	7.3
106.03702	1.3
107.04894	0.8
107.08589	6.1
109.02862	15.4
109.06498	1.2
109.10138	6.7
111.08120	0.8
116.98595	3.5
117.06998	1.2
119.08553	8.8
121.10103	5.9
123.04412	0.9
123.07993	0.8
124.03801	0.7
125.09559	0.8
128.98500	0.7
131.08521	2.5
133.10133	5.0
134.99600	1.5
135.08022	1.3
135.11707	2.8
142.07767	1.1
143.00136	5.4
143.08528	1.4
145.10114	4.8
147.11671	3.3
149.09593	0.8
149.13289	1.3
155.00047	0.7
157.01682	0.9
157.10112	1.4
158.99611	1.3
159.11679	3.2
160.99036	0.9
161.01184	6.3
161.13284	1.1
162.99068	0.8
171.11656	1.3
173.01169	3.1
173.13223	3.6
175.14783	1.3
177.00653	1.1
179.00101	10.7
179.01575	0.8
179.02153	0.9
182.99634	3.1
183.11577	1.2
184.00435	1.2
185.13234	1.1
187.14696	1.1
189.16408	2.4
197.01184	100.0
201.00711	6.6
203.17923	1.1
211.02722	3.0
215.02237	89.3
219.01723	4.2
220.02814	1.5
221.01265	0.7
223.02748	0.8
233.03323	2.7
237.02739	1.3
238.03773	0.9
239.02208	13.3
247.02736	2.9
257.03354	3.5
263.02258	3.3
265.03720	10.5
275.02075	0.8
281.03342	1.5
305.03180	7.4
323.04337	17.8
343.04800	1.1
347.04227	3.4
365.05435	2.7
383.06549	1.0
409.05829	12.7
427.06879	9.9
445.07791	1.4
487.21460	2.4
487.34143	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	486.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01862	2.4
55.05504	0.3
57.03423	6.1
59.04980	0.3
60.04520	0.2
61.02911	9.3
67.05463	0.2
69.03412	17.6
70.21391	0.2
71.04976	2.4
73.02898	3.1
79.05458	0.3
81.03393	7.4
81.07014	0.4
81.70229	0.2
83.01321	0.4
85.02885	100.0
87.04452	2.4
91.03925	4.5
91.05417	0.2
92.08768	0.9
92.75119	0.2
97.02864	25.3
99.04422	3.8
101.02349	0.8
102.96705	0.2
103.03928	0.7
105.03376	0.3
109.02862	9.1
109.03609	0.3
110.23812	0.2
115.03915	1.0
127.03885	20.0
133.10019	0.2
145.04932	28.3
163.05977	11.5
163.07338	0.4
181.07155	0.3
191.57881	0.2
199.75308	0.2
241.10152	0.2
288.62610	0.2
307.21106	0.4
325.11115	0.4
327.81128	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17382	6.7
51.36802	6.8
55.05482	12.6
59.46587	6.8
66.62670	8.8
67.05500	31.7
69.07072	11.6
71.04944	11.4
79.05437	33.1
81.07035	97.6
87.04445	43.7
91.05450	38.3
93.07015	100.0
95.08584	68.8
97.10160	12.7
105.07016	73.1
107.08575	69.1
109.10128	53.6
111.11722	9.3
119.08582	67.2
121.10088	48.7
123.11713	10.4
133.10155	28.1
135.11647	19.5
145.10139	21.9
147.11647	11.2
149.13193	40.7
157.00548	9.3
159.11668	13.5
161.13243	17.7
173.13136	10.9
180.47002	9.6
191.17953	9.8
217.19403	12.2
324.42679	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	486.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.2
55.01865	1.6
55.05502	4.5
57.03426	3.7
57.07061	4.9
59.04987	2.8
61.02927	0.7
65.03920	1.0
67.05499	10.9
69.03422	7.3
69.03743	0.8
69.06709	1.1
69.07058	16.2
70.02940	4.7
70.03793	0.8
70.06565	1.1
71.04971	3.0
72.04499	14.0
73.02898	3.8
74.02438	0.6
79.05476	11.4
81.03409	9.7
81.07048	9.7
83.04974	6.4
83.08580	0.9
85.02887	12.2
85.06519	8.3
86.09681	3.1
87.08112	1.0
89.03902	1.5
90.05535	81.2
91.05458	4.6
92.09193	4.5
93.07028	9.3
94.07364	1.6
95.04945	13.4
95.08594	6.7
96.08117	1.4
96.08900	0.8
97.02873	6.0
97.06509	28.8
98.02393	12.1
99.08085	1.2
100.03969	1.4
103.07567	4.8
105.03374	42.7
105.04481	1.5
105.07019	4.9
106.24163	0.7
107.04947	1.5
107.08575	7.8
107.65244	0.7
109.02860	3.4
109.06517	2.7
109.10168	5.2
111.04419	3.2
111.08060	1.4
112.07610	0.9
113.06004	3.4
116.03426	13.9
117.03364	4.6
117.07001	0.9
119.04934	1.4
119.08537	4.7
121.06516	1.2
121.10102	4.4
123.04425	6.0
123.08086	0.9
123.11678	2.8
124.07578	16.8
125.05975	1.0
127.03888	2.7
129.05452	1.8
129.06891	1.2
131.05008	0.7
131.08574	2.9
133.10139	1.4
135.04411	7.0
135.08037	0.9
135.11699	0.8
137.09627	1.1
139.03882	3.3
142.08617	8.2
145.02823	14.5
145.04887	1.0
145.10110	1.6
147.04356	3.5
147.11720	0.9
148.37808	0.8
149.06017	1.6
149.09615	1.6
159.04390	1.5
161.02313	6.0
161.09615	1.3
163.02502	1.5
163.03868	43.2
165.08939	1.1
166.08609	0.9
167.10680	0.8
171.11568	0.9
173.02324	8.7
173.09767	0.8
174.11314	1.5
177.05470	9.3
184.09665	18.0
193.07162	1.0
202.10715	25.5
213.08955	0.8
215.06992	11.7
220.11760	100.0
224.00688	0.8
226.79561	0.9
241.08771	1.3
249.07457	3.0
249.52954	0.8
259.09610	51.1
267.08557	4.3
277.10745	0.8
287.05557	0.9
289.17883	0.8
409.14651	0.8
433.14871	1.0
451.15637	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.01862	1.7
57.03420	1.7
58.33709	0.3
61.02899	2.3
61.09645	0.3
67.01855	30.3
69.03416	26.4
69.03733	0.3
69.03810	0.5
70.47855	0.4
71.01334	0.5
71.04982	8.9
73.02882	0.5
73.04781	0.3
81.03403	25.1
83.01329	0.5
83.19239	0.3
85.02418	0.7
85.02892	12.5
97.02871	47.1
99.03833	0.7
99.04440	15.6
103.03915	0.4
104.85844	0.4
109.02865	36.4
115.03899	2.1
125.05947	0.5
127.03895	100.0
139.03893	10.4
145.04926	5.2
169.04915	4.6
187.05989	8.6
205.07072	3.4
229.07069	2.2
247.08086	23.4
261.40207	0.4
303.45874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	19.5
55.01864	23.3
57.03424	10.8
60.08142	1.4
61.02909	6.3
67.01849	4.1
67.05496	1.5
69.03416	33.3
69.07050	0.7
70.06586	0.8
71.04975	10.7
73.02899	9.7
79.05429	0.7
79.46249	0.6
81.03398	58.3
81.07044	2.3
83.01340	0.6
83.04931	0.7
85.02888	25.8
86.09689	11.7
87.04458	0.7
92.09170	1.4
95.04955	0.8
97.02867	91.5
98.98466	0.6
99.04430	52.8
101.02390	0.8
103.03934	1.1
104.10748	0.8
109.02859	74.2
109.10129	6.6
115.03889	5.3
120.73118	0.7
124.99983	8.6
125.02285	1.1
127.03887	100.0
127.11168	4.0
137.05972	0.7
139.03870	10.4
139.11191	0.7
145.04922	10.9
145.12241	4.3
169.05002	5.0
181.04947	0.8
184.07292	29.8
187.05969	44.2
197.19879	0.6
205.05116	1.3
205.07042	39.5
229.07066	0.7
235.05754	0.7
247.08061	5.8
289.09540	0.6
312.20602	0.7
366.87234	0.6
450.22293	3.5
452.02417	0.8
454.46027	0.7
487.11929	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	485.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81705	1.1
55.05500	13.7
57.07065	2.4
59.64500	0.8
62.40689	0.9
67.05488	16.1
68.35256	0.9
69.03425	1.7
69.07055	14.0
71.08593	1.3
79.05473	16.9
81.07037	38.7
83.08602	7.2
91.05466	18.8
92.08750	6.9
92.09377	3.1
93.07027	44.0
95.04951	4.4
95.08586	78.1
97.06506	5.2
97.10152	5.0
105.07015	42.1
105.87684	0.9
107.08582	78.1
109.06495	5.0
109.10147	35.1
111.08075	5.4
117.06993	6.6
119.08563	100.0
121.06490	1.8
121.09264	1.6
121.10119	42.9
123.08032	5.8
123.11702	10.6
125.09586	7.1
129.07016	2.0
131.08543	36.3
133.10114	63.0
135.07954	1.1
135.11679	25.3
137.09648	1.6
137.13263	1.3
142.07709	1.1
143.08549	8.7
144.09372	2.1
145.10103	42.3
147.07994	1.3
147.11678	29.4
149.09595	1.4
149.13260	11.7
155.08621	1.3
157.10124	11.0
158.10921	2.2
159.11676	32.5
161.09604	2.3
161.13228	23.4
163.11197	5.3
163.14789	18.3
169.10201	1.3
170.10901	1.3
171.11700	7.4
173.09569	1.1
173.13231	31.6
175.14796	21.7
177.09041	1.7
177.16364	7.7
183.11638	2.4
185.13226	8.2
187.11104	1.1
187.14777	22.9
189.12724	1.3
189.16356	35.9
191.10657	4.8
191.14291	24.7
191.17947	2.1
193.15839	1.7
197.13243	1.8
199.14789	5.3
201.16388	31.4
203.14359	7.6
203.17924	51.7
205.15884	2.4
211.14809	1.2
213.16302	6.8
215.14471	1.3
215.17914	17.2
217.15930	2.0
217.19376	1.5
219.17451	5.7
221.15350	18.4
223.14798	1.2
223.16881	1.1
225.16376	2.1
227.17952	2.1
229.15857	3.8
229.19466	2.4
231.21014	2.4
243.20993	1.3
247.17041	1.4
249.18446	6.2
253.19774	1.5
261.18521	6.8
263.20053	9.6
275.19998	4.1
283.24301	1.1
287.73557	1.1
293.22513	4.0
311.23633	4.1
377.32034	1.0
389.31839	8.3
395.33023	1.5
407.33032	27.8
425.34024	24.4
449.34000	6.0
467.35483	8.5
468.34119	1.1
485.36163	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	486.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.0
55.01867	20.5
55.05498	4.9
57.03433	11.2
61.02912	3.1
62.69504	1.4
62.98719	1.4
67.01840	5.2
67.05493	37.0
69.03065	2.6
69.03416	46.0
69.07044	2.6
71.04972	18.3
73.02891	10.6
78.01363	1.2
79.05441	2.6
81.03402	56.2
81.07041	9.1
83.04976	1.9
83.08607	5.5
84.16645	1.4
85.02890	51.9
85.06525	5.6
92.08700	3.0
92.09248	3.2
93.07064	1.5
95.04968	1.6
95.08590	1.9
97.02870	88.4
99.04438	42.8
103.03970	1.4
103.21802	1.4
105.38483	1.5
108.04507	4.0
109.02866	98.1
109.06504	2.7
109.10144	65.1
111.04464	1.4
115.03902	5.4
127.03891	100.0
127.11166	35.5
136.13513	1.6
137.05933	2.2
139.03874	10.8
145.04933	16.8
145.12213	6.5
163.06035	2.5
169.04897	11.1
187.05991	36.6
205.07047	37.9
222.09599	2.0
229.36946	1.5
247.08115	3.0
263.24649	1.4
375.75317	1.4
401.84555	1.5
441.41309	1.5
487.12305	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	485.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01863	1.5
55.05303	1.5
55.05507	23.6
57.03430	13.9
57.06810	2.6
57.07068	44.6
67.05488	29.9
69.03407	3.8
69.06785	1.5
69.07064	23.9
71.08617	30.8
72.47397	1.4
79.05477	24.1
81.07041	65.2
83.08622	16.8
85.10170	14.8
91.05458	25.2
92.09118	15.5
93.07024	56.9
95.04949	3.2
95.08589	78.7
97.06493	8.9
97.10131	8.7
98.11196	1.6
98.98450	36.2
105.06359	3.3
105.07016	61.3
107.08579	97.4
109.06507	4.2
109.10151	46.1
111.08059	10.0
117.07008	9.6
119.08562	72.1
121.10126	53.3
123.08020	2.8
123.11710	16.5
125.09611	18.1
129.06967	2.8
131.08560	36.1
133.10100	53.7
135.08040	1.9
135.11684	32.6
136.00597	1.6
137.13248	2.4
143.08565	13.2
144.09357	2.0
145.10112	48.1
147.11678	31.2
149.09695	2.6
149.13243	7.6
155.01021	15.2
156.09354	1.7
157.10146	12.4
158.10895	2.2
159.08037	2.0
159.11682	41.8
161.13242	17.1
163.11182	1.7
163.14705	2.6
169.10046	2.2
171.11644	15.7
173.02032	1.7
173.13208	26.2
175.14792	85.7
177.12889	1.8
177.16351	8.5
185.13237	13.2
187.14774	52.1
189.16336	23.5
191.14258	2.0
193.15878	7.2
197.13155	2.1
199.14792	14.4
201.16382	53.4
203.17940	7.0
205.15865	7.1
211.14760	2.7
213.16333	17.4
214.17218	2.2
215.17928	16.3
219.17438	1.8
226.50563	1.8
227.17780	3.8
239.17853	1.9
239.23584	2.1
241.19518	9.5
243.20949	2.0
255.20935	2.0
262.26392	1.9
272.06577	1.7
281.22714	1.9
313.27313	100.0
314.27713	3.1
371.29269	2.2
389.31955	9.9
407.33035	45.2
449.26669	8.9
449.33932	3.5
467.34961	7.5
485.36380	33.3
501.61899	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08080	1.4
55.05502	9.1
57.07060	2.7
67.05488	14.8
69.07053	16.6
74.91977	1.5
75.07386	1.9
79.05473	13.7
81.07033	35.9
83.08598	6.4
88.58489	1.6
90.73724	1.6
91.05435	16.1
92.09130	3.0
92.39405	1.6
93.07017	39.3
95.04938	6.4
95.08584	64.2
97.06519	4.1
97.10152	2.8
105.07006	44.6
105.59123	1.9
107.08568	65.8
109.10135	35.1
111.08090	3.0
117.06985	3.3
119.08556	76.5
121.10124	38.3
123.08053	3.0
123.11693	10.2
125.09623	6.7
128.99910	1.8
129.06970	2.6
131.08545	26.1
133.10104	68.6
135.11684	21.4
143.08542	8.8
144.09320	2.5
145.10081	38.3
147.08003	1.7
147.11655	36.7
149.13249	17.3
157.10112	7.2
159.11644	28.8
161.09602	2.4
161.13213	26.0
163.11113	3.9
163.14803	21.9
164.66298	1.9
171.11707	7.3
173.13219	32.4
175.11153	2.6
175.14804	31.3
177.16373	13.6
185.13248	6.8
187.14792	34.4
189.16336	61.1
189.17926	3.0
190.17755	1.9
191.14287	20.3
191.17862	6.6
193.93405	1.6
199.14825	11.2
201.16356	46.9
203.14348	7.7
203.17908	100.0
205.15897	7.1
211.14833	3.1
213.16344	12.5
215.17902	19.3
217.15761	2.9
219.17319	3.2
221.15326	13.3
227.18053	3.3
227.47791	2.3
229.19492	2.5
231.20988	3.5
235.16948	2.5
241.19446	2.9
247.16946	2.3
261.18420	2.3
263.20062	10.7
281.22763	2.9
283.24207	2.1
389.31900	10.3
395.33121	3.7
407.33026	23.0
425.34073	34.3
449.33908	8.4
453.33606	2.4
467.35254	3.8
485.36172	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	485.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
55.05276	1.3
55.05494	14.1
57.07067	11.2
67.05496	19.7
68.56316	1.3
69.03408	5.2
69.07059	17.3
71.08611	6.5
71.63182	1.3
78.80909	1.3
79.05499	15.2
81.07040	54.1
83.04966	2.5
83.08603	10.3
91.05463	22.5
92.08968	1.6
93.07022	46.6
95.04935	3.4
95.08584	77.1
97.06518	7.9
97.10152	5.4
98.64841	1.4
98.98457	2.5
100.54731	1.3
105.07014	53.5
107.08584	78.3
109.06490	3.1
109.10142	44.9
111.08074	6.4
111.11670	2.2
111.41302	1.5
117.06989	8.5
119.08563	100.0
121.06474	2.6
121.10123	44.2
123.05875	1.5
123.08040	3.0
123.11683	18.5
125.09614	9.1
129.06941	2.6
130.18277	1.3
131.08542	36.5
133.10112	81.1
135.08069	2.0
135.11664	27.1
137.09567	3.4
143.08537	10.7
144.09308	2.4
145.10115	53.0
147.08020	1.3
147.11664	39.6
149.09618	2.3
149.13220	15.2
151.11211	1.8
157.10107	14.8
158.10808	1.6
159.08055	1.5
159.11674	37.4
161.09621	3.4
161.13232	31.3
163.11101	2.5
163.14799	20.9
170.10910	2.9
171.11699	13.6
172.12402	2.4
173.13205	32.9
175.14790	43.7
177.09193	1.7
177.16359	14.6
183.11763	2.2
184.38748	1.5
185.13245	9.0
187.14793	45.2
189.16338	72.6
191.14229	12.7
191.17953	6.1
193.15891	2.2
197.13292	2.2
199.14772	10.9
201.16342	58.9
203.14297	3.5
203.17928	72.4
205.15784	12.3
211.14824	2.1
213.16353	21.4
215.14426	1.8
215.17932	29.5
217.15782	4.2
217.19531	1.6
219.17418	6.5
221.15387	8.2
225.16386	2.6
227.17961	3.1
229.19456	3.3
233.18910	2.5
241.19548	5.4
247.16852	5.6
249.18445	2.7
253.19522	2.0
255.20937	3.0
261.18463	6.6
263.20059	6.4
267.21140	2.5
275.20062	1.9
309.74637	2.1
313.27310	14.7
389.31866	11.2
407.33008	37.2
425.34036	31.7
435.32468	2.6
449.33972	8.5
456.48877	1.8
467.35486	10.2
468.35580	1.7
485.36243	41.9
486.37338	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3258
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
51.53963	0.7
54.72008	0.7
55.05495	4.2
57.07059	0.7
64.26017	0.8
67.05489	4.8
69.03409	1.1
69.07042	4.8
76.91037	0.7
79.05463	4.4
79.05894	0.8
81.07031	10.5
83.04948	1.5
83.08540	1.3
90.06689	0.8
91.05460	5.4
93.07030	13.7
95.04932	1.9
95.08583	16.2
95.21449	0.8
97.06509	0.9
97.10135	0.7
105.07008	13.2
107.08584	16.4
108.22900	0.7
109.06488	1.8
109.10162	5.5
111.08041	1.5
117.06981	1.5
119.08553	20.3
121.10119	11.8
123.08035	1.3
123.11681	1.7
131.08531	9.7
133.10098	15.6
135.07988	1.9
135.11658	5.3
137.09547	0.8
143.08549	4.0
144.09239	0.9
145.10095	16.6
147.08023	3.2
147.11673	6.9
149.09550	2.9
149.13222	1.5
151.07516	1.4
155.08557	1.5
157.10086	7.2
159.11710	7.8
161.09576	3.6
161.13254	4.4
163.11104	1.4
163.14790	3.4
169.10098	1.5
170.10811	1.0
171.11642	5.6
172.08841	1.2
173.06133	0.8
173.09558	1.4
173.13257	8.5
175.11165	1.9
175.14777	6.7
177.16360	1.7
181.10034	1.2
183.11681	1.7
185.13191	6.1
187.11137	1.6
187.14748	12.9
189.12781	0.8
189.16397	5.8
191.14326	1.0
193.15787	1.1
195.11594	1.6
197.13213	1.9
199.11125	1.0
199.14882	1.8
201.16313	4.1
202.23943	0.8
203.14215	1.1
203.17880	1.8
209.13184	1.4
211.14731	3.1
213.12715	3.1
213.16286	1.9
215.14232	1.8
217.15785	1.0
219.11763	1.1
219.13794	3.9
225.16339	1.9
229.15918	3.0
231.13831	1.0
241.19464	1.2
281.18875	1.1
296.50629	1.0
299.19968	1.2
397.27356	1.6
403.29730	1.4
421.31088	8.3
439.31833	4.2
449.30533	1.3
457.05038	0.9
467.31479	100.0
468.31915	1.8
485.26352	0.9
485.32654	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	485.326
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
53.03936	1.5
54.19241	1.4
55.05503	12.7
57.03446	1.7
57.07062	2.6
58.48526	1.3
60.72578	1.2
64.34756	1.4
67.05489	20.0
67.35384	1.5
69.07048	12.5
71.04961	1.8
79.05472	25.7
81.07043	36.8
83.04968	2.4
83.08604	6.0
90.47954	1.8
91.05458	32.5
92.09152	2.6
93.07017	48.1
95.04941	8.3
95.08583	66.2
97.10133	1.7
105.03394	1.8
105.07011	71.3
107.04940	7.2
107.08578	60.0
109.06524	8.2
109.10126	23.2
115.05434	3.4
117.06995	19.4
119.08563	100.0
121.06490	6.8
121.10127	39.9
123.08009	7.1
123.11633	2.9
125.05998	2.3
128.06218	4.1
129.06973	13.7
129.58348	1.7
130.07686	2.8
131.08527	52.8
133.06480	3.1
133.10104	62.8
135.08041	17.0
135.11635	14.8
137.09572	3.0
141.07021	2.0
142.07787	10.4
142.43536	1.8
143.08539	37.9
144.09358	3.6
145.06476	3.8
145.10109	81.4
147.08051	14.3
147.11668	35.9
149.09651	7.8
149.13248	11.7
153.09106	4.0
155.08527	11.4
156.09358	12.5
157.10098	33.8
157.99710	1.6
158.10880	5.9
159.08040	8.2
159.11667	51.3
161.09604	15.0
161.13225	17.5
163.07520	3.6
163.11209	2.0
163.14784	10.4
165.09067	6.3
167.08496	3.8
168.09337	3.5
169.10071	15.8
170.10927	7.7
171.08015	2.7
171.11646	25.9
173.09592	8.1
173.13231	39.9
175.11183	13.2
175.14793	21.6
177.09076	9.5
177.12756	7.3
177.16344	2.5
181.10071	6.6
182.10864	2.3
183.11673	16.3
185.13200	30.7
187.11180	7.1
187.14780	39.0
189.12718	14.2
189.16322	31.3
191.17955	6.5
195.11649	3.9
197.13211	16.9
199.14777	13.3
201.12720	8.8
201.16367	33.0
203.14241	12.4
203.17940	10.8
207.13777	2.6
209.13306	3.6
211.14883	8.7
213.12637	2.8
213.16350	15.1
215.11032	1.8
215.14349	10.8
215.17873	31.1
217.15877	3.0
221.13164	1.7
223.50800	1.8
225.16315	3.0
227.14229	1.9
227.17862	3.4
229.15869	6.7
229.19405	13.1
231.13704	2.8
233.15387	3.5
239.17905	7.1
241.19582	3.9
243.21092	3.2
245.15213	2.6
247.16878	12.7
253.19464	6.2
255.21117	2.4
261.18488	5.8
267.20987	2.3
269.22617	3.8
275.20093	2.0
311.19641	1.9
325.21667	2.5
348.25204	1.9
373.28848	2.6
391.29822	17.3
403.30020	6.8
419.29202	3.5
421.30902	17.9
425.97235	1.7
431.29303	3.3
437.30185	14.0
439.32001	17.6
449.30316	7.5
460.84796	1.8
467.31973	13.1
485.32507	93.1
513.99152	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01865	1.4
55.05503	14.3
57.03429	1.9
57.07063	1.9
64.93841	0.9
65.03935	1.3
67.05486	19.1
67.63354	0.9
69.03416	2.1
69.07051	17.0
71.04977	2.0
79.05470	25.2
81.03407	1.9
81.07034	43.9
82.40581	1.0
83.04964	4.6
83.08606	8.4
85.02889	4.7
91.05450	34.5
92.09140	5.8
93.06518	1.2
93.07019	51.7
95.04943	10.0
95.08583	55.8
97.06516	4.9
97.10162	2.1
105.03391	10.1
105.07011	70.7
107.04940	10.6
107.07858	2.3
107.08578	64.5
107.09293	2.4
109.06503	6.9
109.10132	30.6
109.10838	1.3
111.08051	2.2
115.05468	2.1
117.06986	23.1
119.08555	100.0
120.08910	1.2
121.06492	8.4
121.10130	34.0
123.08051	6.5
123.11656	7.8
125.09662	2.1
128.06161	8.3
129.06960	14.4
130.07788	5.3
131.08536	60.7
133.06470	7.1
133.10103	58.3
135.08020	14.0
135.11676	17.4
137.06001	1.3
137.09642	4.5
141.06989	6.4
142.07779	11.7
143.08540	46.5
144.09309	5.2
145.06456	2.4
145.10098	81.5
146.10832	1.3
147.08025	13.0
147.10477	1.7
147.11652	38.9
147.22679	1.4
149.09642	6.3
149.13220	10.7
153.06952	1.1
153.09088	2.5
154.07683	1.3
155.08527	13.1
156.09343	8.1
157.10100	35.3
158.10849	5.1
159.08101	8.7
159.11667	53.3
161.09613	13.8
161.13203	18.3
163.07491	5.3
163.11185	5.2
163.14789	8.2
165.09097	2.2
167.08588	1.9
168.09328	2.1
169.10066	14.1
170.10954	5.7
171.08055	2.3
171.11649	28.2
172.12405	1.8
173.09572	10.2
173.13196	38.0
174.10481	1.3
175.11165	11.8
175.14792	17.8
177.09061	5.8
177.12766	7.2
177.16302	9.3
179.10655	4.3
181.10106	4.8
182.10880	5.3
183.11649	13.4
185.09679	2.1
185.13229	26.7
187.11191	9.5
187.14783	36.1
189.12706	10.9
189.16336	23.8
191.14224	2.0
191.17909	6.1
193.10136	1.2
193.12221	1.4
195.11688	4.6
197.13184	13.9
199.11096	1.6
199.14760	12.0
201.12744	9.8
201.16383	23.5
201.89839	1.0
203.14297	6.1
203.17928	9.6
205.12137	2.3
205.16045	1.4
207.11758	1.4
207.13681	1.8
209.13306	4.4
211.14859	4.5
213.12807	5.8
213.16324	13.8
214.17197	1.1
215.14386	9.2
215.17885	28.8
215.19945	1.2
217.12018	1.3
217.15915	4.6
219.13840	1.5
221.15396	1.5
223.14897	2.2
225.16385	5.3
227.17900	5.2
229.15895	4.1
229.19403	11.5
231.13759	1.3
231.17543	1.1
233.15300	5.8
235.17053	1.7
239.17958	4.8
241.15747	1.2
241.19492	6.4
243.21065	1.4
247.16924	8.4
253.19479	5.0
255.21021	2.1
261.18478	4.9
267.21155	2.4
269.22565	2.6
277.19675	2.0
287.20154	1.4
295.20453	1.2
299.20270	1.7
307.20471	1.4
325.21704	2.2
343.22937	1.3
373.28922	1.5
391.29828	10.4
403.29675	9.9
419.29263	8.9
421.30896	13.4
437.30209	11.4
439.31973	16.0
449.30420	5.8
467.31647	10.2
485.32568	80.1
486.33090	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
54.52694	0.6
55.01851	0.9
55.05508	8.9
56.62901	0.7
57.03425	1.1
57.07059	1.3
62.69640	0.7
67.05200	0.9
67.05497	15.6
69.03410	4.2
69.07052	10.0
71.04997	0.8
79.05469	14.5
81.03394	3.0
81.07038	33.1
83.04970	1.7
83.08594	5.0
85.02889	2.1
85.06518	0.9
91.05460	14.9
93.07023	22.5
95.04945	6.8
95.08581	30.7
97.02851	1.2
97.06512	4.7
103.05473	1.1
105.03368	14.3
105.07013	33.7
107.04924	1.2
107.08575	33.4
109.06491	10.2
109.10143	19.1
111.08058	3.5
115.05381	0.9
116.06172	0.9
117.06997	8.7
119.08557	47.8
121.06484	1.8
121.10136	20.7
123.04432	0.8
123.08023	4.5
123.11648	6.4
124.96911	0.8
127.07518	4.1
129.06938	6.7
130.07706	1.0
131.08540	26.3
133.06485	1.2
133.10106	27.1
135.08035	3.3
135.11632	9.8
137.09587	1.9
139.11208	1.0
141.06995	1.0
141.09053	1.0
142.07761	2.0
143.08542	18.3
144.09311	1.5
145.02800	0.9
145.06386	1.0
145.10103	34.3
147.08083	1.6
147.11674	17.0
149.09546	4.0
149.13237	5.3
151.11124	1.0
155.08511	6.5
156.09312	3.5
157.10080	16.8
158.10793	1.6
159.11659	19.7
161.09552	3.2
161.13248	10.4
163.11110	1.5
163.14793	2.0
169.10097	7.2
170.10835	3.6
171.11662	11.2
173.09654	1.6
173.13229	12.6
174.95905	1.0
175.11162	1.7
175.14705	7.8
177.09096	1.2
177.16382	1.4
181.10127	1.5
182.10986	0.9
183.11606	7.3
185.13200	18.4
187.11086	1.3
187.14783	21.1
189.09055	1.6
189.12692	3.3
189.16331	6.2
191.10728	1.0
191.14413	0.9
193.09995	0.9
195.11662	3.9
197.13211	8.4
198.13921	1.1
199.14789	15.4
201.12543	1.1
201.16359	9.6
203.14296	4.2
203.17871	1.2
205.15794	1.7
209.13277	1.2
211.14734	4.5
213.12737	1.4
213.16336	9.3
215.14317	1.8
215.17903	1.1
217.15862	1.8
221.13260	1.2
223.14821	1.5
225.16489	2.9
227.17935	4.6
229.15775	1.6
231.13786	1.6
237.16382	1.9
239.17805	3.1
241.19458	2.0
251.17989	1.1
253.19478	1.4
391.29959	1.1
403.29730	4.4
407.32880	4.4
419.29196	1.1
421.30615	6.5
431.29315	3.9
437.30396	100.0
438.24612	0.9
438.30930	1.4
449.30249	4.7
467.31424	4.8
478.32819	1.4
485.32480	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	485.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08273	0.5
53.00307	0.9
54.10551	0.4
54.63741	0.5
55.05505	7.5
57.03429	17.4
57.07068	51.4
57.74617	0.5
60.04524	0.5
61.35851	0.5
67.05499	9.6
69.07053	8.8
69.58266	0.4
71.08616	29.2
75.04453	0.7
79.05466	0.8
81.07040	14.3
83.08602	9.9
85.06532	0.5
85.10168	16.0
88.30663	0.5
89.06015	4.1
92.08897	5.1
93.07025	3.1
95.08588	19.9
96.44061	0.5
97.10160	4.0
98.98446	16.6
103.07554	0.9
105.07011	1.2
107.08569	2.5
109.10131	9.1
117.09112	0.9
119.08539	4.1
121.10110	1.2
123.11702	2.4
131.08563	2.0
133.10153	2.3
137.13248	0.6
145.10127	2.2
150.83736	0.5
155.01021	4.9
157.10129	0.7
159.07826	0.6
159.11633	0.7
173.02090	0.8
173.11447	0.5
173.13304	1.0
175.14853	0.6
186.57309	0.7
187.14856	2.6
189.16237	0.5
201.16383	2.9
232.93910	0.5
239.23723	1.2
257.24765	2.5
258.04956	0.6
275.10889	0.6
278.65201	0.5
313.27319	100.0
314.27893	0.7
407.32407	0.7
421.30557	0.7
449.26465	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2872
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
50.47958	0.4
53.00290	1.2
54.01436	0.6
55.05501	7.9
57.03429	10.0
57.07069	44.1
59.04970	0.5
65.03973	0.6
67.05489	13.8
69.07054	10.4
70.06579	0.6
71.08611	29.0
75.04461	0.6
75.09593	0.5
79.05472	5.1
81.06590	1.2
81.07043	18.4
83.08613	9.7
85.06522	1.0
85.10168	14.2
89.06011	1.0
91.05468	4.7
92.09057	2.3
93.07019	10.6
94.64573	0.7
95.04958	1.2
95.08584	27.4
97.06492	0.7
97.10140	4.0
98.98446	34.9
99.11756	0.6
105.07022	13.4
107.08572	18.4
109.06479	0.8
109.10146	14.7
111.08020	1.4
116.99490	1.5
117.06979	1.5
119.08559	12.8
121.10132	8.1
123.08050	0.8
123.11702	4.7
125.09611	3.4
129.00764	0.7
131.08551	5.1
133.10097	11.6
135.11633	5.2
143.08563	1.4
144.09319	0.8
145.10103	9.4
147.11676	6.5
149.13203	2.6
155.01013	14.6
157.10071	2.7
159.11668	7.6
159.20407	0.7
161.13210	3.5
163.14728	2.2
171.11665	1.4
173.02097	2.7
173.13199	6.1
175.14778	15.1
177.16327	2.5
185.13261	2.3
187.14755	10.6
189.16362	4.7
193.15854	0.9
199.14835	2.8
201.16367	9.7
203.17874	1.2
205.15837	0.8
213.16388	3.1
215.17912	3.6
228.23100	1.1
239.23727	1.2
241.19388	0.8
247.05623	0.9
283.26328	1.0
301.46405	0.8
313.27319	100.0
346.41998	0.8
389.32071	1.3
393.23923	2.5
407.32932	11.6
425.34140	0.8
449.26425	9.8
467.35031	0.8
484.47165	2.4
485.36850	6.4
485.47653	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50264	0.2
69.03412	0.3
74.02432	1.1
85.02901	0.6
91.05447	0.4
92.08798	0.5
92.09299	0.4
98.97559	0.2
110.07142	0.3
111.19391	0.2
115.05447	1.1
117.07030	1.8
117.28082	0.2
118.06516	22.3
119.06866	0.3
120.08073	0.3
127.03864	0.4
130.06488	1.8
132.08054	6.2
136.07527	0.3
142.06494	2.5
143.07291	2.0
144.04373	0.3
144.08064	18.7
146.05986	84.5
147.06319	1.8
159.09146	8.7
160.07559	1.3
166.58513	0.3
170.05975	6.3
188.07028	100.0
189.07350	3.4
190.07605	0.5
205.09695	30.4
206.10013	0.3
237.02740	0.3
293.95050	0.3
305.15085	0.3
398.32349	0.3
473.30930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2873
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
53.00301	1.0
55.05506	8.2
57.03435	11.3
57.07069	44.1
59.04984	0.8
63.47138	0.6
67.05492	12.1
69.07050	10.3
70.06586	0.9
71.04970	0.6
71.08617	28.7
79.05482	4.9
81.07041	21.8
83.04974	0.8
83.08611	9.6
84.57317	0.6
85.10172	13.6
91.05469	4.9
92.09231	3.8
93.07025	10.8
95.04993	1.0
95.08585	33.1
97.06506	1.0
97.10165	3.1
98.98444	36.2
102.09177	0.9
103.07584	0.7
105.07010	12.3
107.05051	0.7
107.08572	17.1
109.06496	1.0
109.10138	17.8
111.07303	0.7
111.08080	1.0
117.06993	0.8
119.08561	21.1
121.10128	13.2
123.08082	0.9
123.11672	5.5
125.09631	3.3
127.03049	0.7
131.08554	8.4
133.10104	15.2
135.08031	1.0
135.11678	6.2
143.08553	2.4
145.10103	11.1
147.11649	8.5
149.09630	0.8
149.13206	4.6
155.01022	17.0
157.10133	2.6
159.11676	8.6
161.13254	6.1
163.14825	3.4
169.10231	0.9
169.46022	0.7
171.11681	3.0
172.86690	0.7
173.02072	3.5
173.13229	7.3
175.14798	11.5
177.16414	3.3
185.13255	1.5
187.14796	9.1
189.16345	14.1
191.14273	1.4
191.17917	0.9
199.14893	2.6
201.16357	11.5
203.14513	0.9
203.17952	14.1
205.15875	2.4
210.20282	0.7
211.14766	1.0
213.16454	4.8
215.17863	7.8
217.15877	0.8
219.17516	0.9
221.15381	1.3
227.17827	0.8
228.23238	2.5
239.23482	2.0
241.19374	1.0
247.05624	1.2
249.14812	0.8
261.18567	1.0
283.26306	1.4
284.26779	1.1
313.27322	100.0
314.27631	0.8
330.84824	0.6
377.32010	0.7
393.24149	0.9
407.33087	7.3
408.08621	0.7
425.33759	4.3
449.26520	7.5
449.33755	2.9
467.35056	2.2
484.47055	2.4
485.36905	6.8
485.47672	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	484.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	17.4
56.32630	2.7
57.07075	42.2
69.07071	33.1
70.06587	29.8
71.08617	28.3
81.07040	39.4
83.08591	21.2
85.10168	7.1
88.07599	24.9
89.05957	5.6
92.08879	28.7
95.08601	21.9
97.06529	3.5
97.10125	3.1
102.09157	22.0
107.08588	12.3
109.06494	13.7
109.10137	8.1
111.04436	6.5
111.11700	4.0
119.08594	6.8
123.11707	4.1
125.05960	30.3
133.10124	4.2
137.05956	88.1
147.11688	14.6
151.07579	7.3
175.11128	14.1
176.43495	3.4
200.20062	44.0
228.23222	24.4
283.26263	33.0
311.29449	38.7
389.34061	22.0
407.34891	27.8
482.47662	3.7
484.47095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.6
55.13913	0.5
56.74508	0.5
56.96552	0.5
57.03415	0.5
61.82016	0.5
69.03399	1.4
70.06568	1.4
72.08150	0.9
73.06531	0.7
79.69014	0.5
81.03386	1.0
82.02927	1.3
83.04942	0.8
84.08102	0.8
84.27813	0.6
85.02885	4.3
86.09682	3.9
94.06541	5.0
97.02874	2.5
98.97572	1.2
103.05465	1.0
104.04950	0.6
110.07127	0.8
120.08076	1.2
123.05534	3.0
124.03934	0.8
127.03862	0.8
128.98621	0.6
130.06496	90.2
132.04414	44.7
136.07565	0.7
137.05923	1.0
148.07562	3.8
150.63379	0.6
157.07573	95.9
158.05971	100.0
159.09106	2.6
162.05467	4.1
163.03876	0.8
175.08614	85.2
176.07018	2.5
185.07072	3.2
186.05496	2.8
189.12457	1.0
203.08110	85.8
204.06528	4.5
204.08418	0.8
218.40054	0.6
219.01750	0.7
221.09157	47.4
227.06702	6.6
237.02678	1.3
242.07175	0.8
315.46106	0.7
352.28937	0.7
364.99118	0.6
485.16864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79317	2.3
52.66433	2.3
53.03937	2.9
54.21990	2.7
54.81913	2.7
55.01863	3.8
55.05502	35.0
55.47196	2.2
57.03432	35.2
57.07055	13.5
57.63506	2.9
59.04982	7.1
61.02910	14.0
61.48796	2.7
62.35284	3.6
62.35621	2.5
63.24615	2.8
66.87301	2.6
67.05484	18.9
67.38222	2.4
68.12425	2.6
69.03417	96.6
69.07055	26.6
70.06578	3.9
71.04967	17.6
71.08607	4.8
73.02896	2.7
73.06206	3.4
73.06544	47.1
75.04458	4.5
76.56643	2.5
77.19147	2.7
79.05483	18.3
81.03408	23.3
81.07032	59.3
83.04969	6.8
83.08599	18.5
84.08100	2.5
85.02885	83.4
85.06528	16.5
86.09690	19.5
87.04460	47.3
91.05453	13.0
93.07025	38.8
95.04946	12.5
95.08586	49.7
97.02876	79.9
97.06498	5.5
97.10134	22.1
98.03145	2.9
99.04430	4.4
99.08060	3.6
100.11231	6.4
104.10711	3.4
105.03374	40.2
105.07014	23.5
107.08564	21.0
109.02855	6.4
109.06496	4.7
109.10126	19.5
111.04399	4.8
114.05539	3.6
115.03900	46.2
117.06992	3.4
119.04952	4.8
119.08543	27.4
119.39415	3.0
121.06523	3.4
121.10116	41.5
122.06046	4.3
122.10402	3.7
123.04391	6.8
123.11675	5.8
124.99974	4.4
127.03872	14.6
131.04900	3.2
133.04942	30.7
133.10161	10.4
135.11710	5.0
137.06004	4.2
137.09596	3.4
137.13237	71.0
145.02869	5.0
145.04947	4.8
145.10150	4.0
147.03299	2.9
147.04413	12.6
147.08008	3.5
149.09625	6.9
155.13109	5.7
155.14285	100.0
157.10085	3.0
159.11615	4.6
163.11182	3.3
163.53534	3.0
165.09128	3.2
167.06984	7.0
167.10602	4.1
171.11581	2.9
173.15309	83.3
177.05357	7.3
184.07281	23.6
216.07378	3.4
231.06374	4.2
381.31384	2.9
467.35843	3.4
484.26495	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	484.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.0
53.03926	2.5
54.55199	0.7
54.81432	1.2
55.01849	2.3
55.05502	15.5
57.03435	7.0
57.07056	6.7
61.02911	11.7
64.32652	0.9
67.05482	5.4
69.03416	21.7
69.07053	53.8
71.04963	3.9
73.02900	2.2
79.05464	6.2
81.03402	12.6
81.07042	12.0
83.04951	2.3
83.08609	19.4
85.02891	100.0
85.06527	2.0
86.09715	1.5
87.04424	1.3
91.03937	2.1
91.05457	5.1
92.09106	7.9
93.07009	6.5
95.04945	6.5
95.08569	6.1
97.02873	30.0
97.06491	4.5
99.04440	8.4
103.03960	1.4
105.03378	24.0
105.07012	8.5
106.07327	1.3
107.08575	9.4
109.02854	12.3
109.06472	4.8
109.10130	4.8
115.03904	1.2
117.37275	1.0
119.08563	6.6
121.06456	1.1
121.10118	4.5
123.04347	1.8
125.13201	4.4
127.03887	23.6
131.08536	4.0
133.10115	3.7
135.07991	1.6
135.11693	1.4
136.73204	0.9
137.09506	1.1
145.04929	26.1
145.10120	2.3
147.04369	1.2
147.11659	2.1
149.09665	1.0
149.13280	1.1
159.11620	1.5
163.03838	1.0
163.05981	9.3
165.09070	1.7
173.13142	1.1
187.14613	1.2
223.92644	1.0
230.77240	1.0
242.36731	1.0
249.07550	2.0
267.08542	4.0
303.08591	1.5
325.11157	1.5
406.76996	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79317	2.3
52.66433	2.3
53.03937	2.9
54.21990	2.7
54.81913	2.7
55.01863	3.8
55.05502	35.0
55.47196	2.2
57.03432	35.2
57.07055	13.5
57.63506	2.9
59.04982	7.1
61.02910	14.0
61.48796	2.7
62.35284	3.6
62.35621	2.5
63.24615	2.8
66.87301	2.6
67.05484	18.9
67.38222	2.4
68.12425	2.6
69.03417	96.6
69.07055	26.6
70.06578	3.9
71.04967	17.6
71.08607	4.8
73.02896	2.7
73.06206	3.4
73.06544	47.1
75.04458	4.5
76.56643	2.5
77.19147	2.7
79.05483	18.3
81.03408	23.3
81.07032	59.3
83.04969	6.8
83.08599	18.5
84.08100	2.5
85.02885	83.4
85.06528	16.5
86.09690	19.5
87.04460	47.3
91.05453	13.0
93.07025	38.8
95.04946	12.5
95.08586	49.7
97.02876	79.9
97.06498	5.5
97.10134	22.1
98.03145	2.9
99.04430	4.4
99.08060	3.6
100.11231	6.4
104.10711	3.4
105.03374	40.2
105.07014	23.5
107.08564	21.0
109.02855	6.4
109.06496	4.7
109.10126	19.5
111.04399	4.8
114.05539	3.6
115.03900	46.2
117.06992	3.4
119.04952	4.8
119.08543	27.4
119.39415	3.0
121.06523	3.4
121.10116	41.5
122.06046	4.3
122.10402	3.7
123.04391	6.8
123.11675	5.8
124.99974	4.4
127.03872	14.6
131.04900	3.2
133.04942	30.7
133.10161	10.4
135.11710	5.0
137.06004	4.2
137.09596	3.4
137.13237	71.0
145.02869	5.0
145.04947	4.8
145.10150	4.0
147.03299	2.9
147.04413	12.6
147.08008	3.5
149.09625	6.9
155.13109	5.7
155.14285	100.0
157.10085	3.0
159.11615	4.6
163.11182	3.3
163.53534	3.0
165.09128	3.2
167.06984	7.0
167.10602	4.1
171.11581	2.9
173.15309	83.3
177.05357	7.3
184.07281	23.6
216.07378	3.4
231.06374	4.2
381.31384	2.9
467.35843	3.4
484.26495	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	484.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93766	0.3
53.03943	2.7
55.01866	3.0
55.05274	0.4
55.05491	3.6
57.03427	6.6
57.07061	1.9
61.02912	11.2
67.05483	1.8
69.03416	21.4
69.07051	12.3
69.17541	0.4
70.77068	0.4
71.04971	5.9
73.02906	4.4
79.05470	2.4
81.03400	10.3
81.07035	4.5
83.01310	0.7
83.04950	1.6
83.08601	6.0
85.02887	100.0
85.06557	0.5
87.04446	2.2
91.03941	5.0
91.05452	2.1
92.08911	0.6
93.07019	3.3
95.04934	2.9
95.08591	2.7
97.02869	26.6
97.06496	0.8
97.10114	0.5
99.04440	5.3
101.02351	0.8
103.03954	1.4
105.03372	8.2
105.07009	2.4
106.35356	0.4
107.08588	2.4
109.02863	9.7
109.06483	0.8
109.10133	1.5
109.18419	0.4
115.03915	0.8
115.34438	0.3
119.08593	0.9
121.06468	0.7
121.10129	0.7
123.04456	0.7
123.08112	0.5
125.13266	0.7
127.03886	18.4
127.04810	0.7
131.08528	0.8
131.19579	0.4
133.10135	0.7
135.08028	0.6
135.11668	0.9
139.07498	1.5
143.14305	0.8
145.04938	25.9
145.10095	0.9
146.06061	0.4
147.08092	0.6
147.11678	0.5
149.13348	0.4
153.12590	1.3
158.43387	0.5
159.11685	0.5
163.05974	10.6
165.09134	0.4
165.12703	0.5
171.13802	0.5
209.15338	1.0
249.07463	0.6
251.16316	1.0
259.99124	0.5
267.08612	2.0
269.17456	2.2
287.18646	1.6
305.19589	1.9
325.11160	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03153	0.4
53.03923	2.3
54.31126	0.4
54.82005	0.5
55.01848	1.1
55.05491	2.8
57.03416	2.3
59.05012	0.4
59.42199	0.4
60.08144	2.9
61.02917	0.8
62.65891	0.4
67.05495	14.0
69.03417	9.8
69.07051	2.6
71.04967	2.7
73.02908	1.1
74.45033	0.4
79.05481	4.1
81.03400	18.6
81.07038	13.0
81.53874	0.5
83.04967	2.3
83.08595	0.4
85.02896	9.1
85.06530	2.3
86.09692	10.7
87.04440	2.1
88.83801	0.4
91.05455	1.8
93.07023	6.2
93.90753	0.5
95.04927	5.6
95.08582	9.9
97.02863	7.6
97.06499	3.6
97.10126	0.5
99.04432	3.0
99.08043	0.6
104.10725	13.0
105.03381	13.6
105.07030	0.7
107.08566	3.8
109.02864	15.7
109.06486	2.7
109.10143	43.9
111.04429	2.5
115.03864	0.5
119.08564	3.1
121.10104	1.1
122.10485	0.5
123.04404	2.3
124.99973	6.5
125.05924	2.1
127.03907	6.8
129.07071	0.5
131.08534	0.6
133.04938	0.8
135.08058	2.0
135.11691	0.8
137.09598	100.0
137.13200	2.0
145.04895	0.7
147.04335	0.8
147.08066	0.7
148.04739	0.5
153.12761	0.5
155.10649	6.4
155.14294	0.8
155.48004	0.5
161.05927	0.8
165.09081	56.7
167.70728	0.5
169.06393	0.4
180.62703	0.5
183.10129	3.7
184.07294	16.6
187.07510	0.8
189.09111	0.5
195.13710	0.8
198.06425	0.5
201.11125	5.3
211.13345	0.5
213.09293	0.5
215.07056	0.9
242.08998	0.6
245.11563	0.6
249.07578	2.2
267.08661	2.4
287.18497	2.7
291.12283	4.7
303.04959	4.8
309.13266	34.5
327.14392	6.7
345.15466	0.7
377.01697	10.0
378.02145	1.1
395.02588	3.4
483.98566	0.5
484.22867	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01279	0.3
53.03927	2.3
54.04375	0.4
55.01855	1.6
55.05504	3.3
57.03421	1.7
62.18513	0.4
67.05141	0.7
67.05490	15.8
69.03418	5.6
69.07036	2.1
71.04955	1.9
78.75607	0.4
79.05455	2.5
80.04955	0.4
81.02933	0.6
81.03400	16.0
81.07037	13.1
81.77364	0.4
83.04951	0.9
85.02896	4.2
85.06541	0.8
91.05450	2.9
92.08902	0.4
92.64264	0.5
93.07029	5.0
95.04949	5.4
95.08587	7.2
97.02881	5.0
97.06499	0.6
99.04425	2.2
99.08064	0.5
102.83533	0.4
105.03368	5.0
105.07020	3.2
107.08565	5.6
108.04465	2.5
109.02866	9.8
109.06504	2.9
109.10143	46.2
111.04399	0.6
117.06971	1.0
119.04982	0.5
119.08548	6.3
121.10129	3.3
122.07293	0.5
122.30723	0.5
123.04395	0.9
123.08070	0.5
125.05995	1.8
126.05517	0.8
127.03913	5.9
131.08516	0.9
133.10117	1.0
135.08054	1.9
135.11671	0.5
137.09598	100.0
143.08556	1.0
145.10124	1.0
147.04379	0.9
147.08090	0.5
147.11653	2.3
149.09683	0.6
155.10629	3.8
159.11664	0.6
165.09081	47.4
183.10149	2.5
201.11198	5.1
211.18361	0.5
249.07439	0.5
263.62772	0.4
267.57388	0.4
291.12274	3.1
295.28613	0.5
309.13245	22.4
327.14297	6.7
345.15353	1.0
349.79102	0.5
501.36578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37385	2.6
53.03929	4.3
55.01867	3.4
55.05509	28.4
57.03427	6.4
57.07071	2.9
67.05492	27.9
69.03395	6.2
69.07063	21.4
79.05476	41.1
81.03397	17.0
81.07040	74.2
83.04951	4.4
83.08609	4.4
85.02879	6.5
91.05462	55.8
92.08813	4.1
93.07018	53.4
95.04938	17.4
95.08588	47.4
97.02863	4.9
97.06514	13.4
103.05439	3.1
105.03374	45.7
105.07011	92.3
107.04956	15.8
107.08578	60.6
109.02856	2.9
109.06478	22.2
109.10165	25.6
111.08035	4.3
117.06989	28.8
119.08555	95.6
121.06491	15.5
121.10114	32.0
123.04389	3.8
123.08025	10.2
123.11654	5.3
125.09550	3.5
127.03919	3.6
127.07495	3.5
128.06180	11.1
129.06958	24.9
130.07742	4.2
131.08542	65.0
133.06491	11.5
133.10094	54.4
135.08023	24.5
135.11682	11.5
137.09639	3.6
141.06950	3.3
142.07742	16.3
143.08540	51.6
144.09331	5.2
145.06409	3.3
145.10104	93.9
147.08038	13.6
147.11676	38.6
149.09567	12.2
149.13254	3.8
151.11078	3.4
153.06970	4.1
155.08540	25.5
156.09381	20.4
157.10081	51.7
158.10854	5.0
159.08057	10.2
159.11670	54.5
161.09560	15.5
161.13210	25.5
163.11177	5.0
163.14853	3.0
165.09062	3.5
167.08481	4.7
168.09323	6.4
169.10066	26.0
170.10869	12.0
171.11627	42.5
173.09512	6.6
173.13235	38.1
175.11148	14.2
175.14790	15.4
177.12721	5.3
179.08424	3.0
180.09380	2.7
181.10133	5.1
182.10794	4.8
183.11688	31.6
185.13229	45.9
187.11185	6.0
187.14745	28.6
189.12700	12.4
189.16325	4.4
194.06380	3.4
195.11642	14.6
197.13252	21.7
199.11195	3.9
199.14832	29.7
201.12616	9.1
201.16296	14.2
203.14349	10.6
209.13213	11.8
211.14807	16.7
213.12692	3.5
213.16364	32.9
215.14264	5.4
223.14888	4.5
225.16440	4.2
227.14360	4.2
227.17976	5.9
231.13585	3.2
239.17943	5.3
241.19426	3.1
249.07584	12.6
251.17926	5.0
253.19409	4.8
259.16806	5.2
265.19373	3.0
267.20670	4.7
273.18478	3.3
389.28271	4.9
401.28290	4.5
417.27802	11.3
419.29327	13.7
429.29703	4.5
435.28802	10.3
437.30255	14.0
447.28391	3.8
460.66901	2.8
465.29718	4.8
483.30988	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	483.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.5
53.03941	0.4
55.05502	38.1
57.03425	15.1
57.07064	16.9
58.45560	0.3
66.25466	0.3
67.05487	5.3
68.30801	0.4
69.02754	0.3
69.07051	42.4
71.08247	0.4
71.08612	8.7
75.04457	0.4
75.83413	0.4
79.05477	3.1
80.11439	0.3
81.05961	0.4
81.07032	9.1
83.04929	0.5
83.08600	28.8
85.10170	4.2
91.05454	0.5
92.08555	0.7
92.09183	1.8
93.07017	3.9
95.08577	4.2
97.06528	3.1
97.10143	21.2
98.98439	13.5
107.08569	3.3
109.10126	1.7
111.08059	0.8
111.11705	4.6
121.10130	3.9
123.11709	0.5
125.09630	0.7
135.11682	3.0
137.42018	0.4
149.13260	0.8
155.01024	4.6
163.14748	0.7
170.61711	0.4
237.21988	0.5
311.25732	100.0
312.25894	0.5
314.89108	0.4
447.24878	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	483.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59729	1.4
55.05265	2.6
55.05504	45.2
57.03429	17.4
57.07069	19.1
67.05479	8.8
69.07055	56.1
71.08617	10.3
79.05470	8.4
81.07027	18.9
83.08602	35.0
85.06554	1.8
85.10175	1.9
91.05507	5.4
93.07037	12.9
95.08583	9.6
97.06528	3.0
97.10146	17.8
98.98440	32.9
105.07001	8.8
107.08546	12.3
109.10170	2.9
111.08085	3.0
111.11711	3.3
112.88381	1.7
119.08530	6.7
121.10135	9.4
130.63475	1.7
131.08609	2.4
133.10048	2.9
135.08110	2.0
135.11679	6.5
145.10080	2.6
149.13272	1.8
155.01003	14.4
157.10062	1.9
171.11600	1.8
187.14662	2.1
201.12668	1.8
265.05435	1.5
286.05753	1.7
304.37820	2.0
311.25735	100.0
447.24747	6.4
465.30048	2.0
483.34680	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81133	0.2
57.03410	0.2
68.33591	0.2
69.03408	0.8
70.06568	0.4
71.70192	0.2
74.02420	0.8
79.05495	0.2
81.03382	0.2
84.04491	0.3
84.08124	0.4
85.02892	1.0
90.04266	0.2
91.05453	0.8
92.08939	0.3
94.06535	0.2
97.02863	0.5
109.02895	0.3
110.07148	0.2
113.84379	0.2
115.05431	1.3
117.05719	0.4
117.06988	1.3
118.06514	20.9
121.02816	0.8
123.04391	0.2
126.61335	0.2
130.06509	1.9
132.08060	7.5
138.09125	1.0
139.03819	0.3
140.07018	0.2
142.06549	2.6
143.07295	2.5
144.04443	0.4
144.08067	16.3
145.06458	0.2
146.05986	83.8
156.06525	0.9
159.07877	0.4
159.09146	8.8
160.07518	1.3
166.08614	1.3
170.05966	6.0
188.07030	100.0
189.07419	0.4
205.09689	27.7
206.08333	0.9
211.12254	0.2
221.10707	0.3
223.08734	0.2
224.09349	0.3
239.11716	1.1
241.09557	0.2
260.15952	0.2
267.11249	2.1
272.11514	0.3
285.12238	1.7
303.13306	1.8
321.14304	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	482.3239
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
53.00312	1.1
55.05503	8.0
57.03423	5.7
57.07069	72.9
62.06081	22.9
63.55552	1.0
64.33433	1.2
67.05481	5.3
69.07065	11.3
70.42817	1.1
71.08250	2.7
71.08615	49.1
72.22124	1.2
75.86290	1.4
81.07051	10.7
83.08607	8.2
85.10168	25.1
89.06013	38.2
92.08828	6.7
93.07049	1.7
95.08591	13.0
97.10137	7.5
98.98425	12.4
105.31306	1.4
107.08598	1.5
109.10145	7.0
111.11684	2.0
114.93381	1.5
121.54967	1.4
123.11782	1.6
133.08585	13.1
142.22842	1.2
155.01027	5.3
162.60492	1.3
177.11171	2.6
187.28300	1.4
216.06322	2.2
267.26828	1.7
283.17578	10.3
310.31024	17.4
341.30441	100.0
421.27054	6.8
464.31088	5.7
465.37671	20.3
481.36838	1.5
482.31772	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.8
57.07057	16.7
66.28532	2.7
67.05475	6.5
69.07056	16.0
71.08617	5.1
79.05457	15.7
79.46146	3.2
81.07046	61.7
83.04980	4.0
83.08611	3.6
85.06538	4.1
85.10149	6.3
89.06008	67.0
91.05458	7.3
93.07011	33.2
95.08559	7.3
105.07015	44.8
107.08579	28.5
109.06480	30.2
109.10144	7.5
121.06491	3.7
121.10085	4.6
131.08537	32.0
133.08572	21.1
133.10104	100.0
135.08031	5.9
145.10147	7.8
147.11684	4.3
149.13188	4.4
158.10841	6.8
173.13206	33.9
177.11086	4.0
191.14268	35.1
209.30907	3.3
283.17407	48.6
291.17654	3.3
447.38400	3.5
453.98990	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	482.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.2
55.05502	29.4
57.03410	3.9
67.05491	48.1
69.03427	3.9
69.07033	18.3
70.36971	3.4
71.04962	6.2
73.76109	3.0
79.05469	49.2
81.07036	82.4
83.04958	8.2
83.08584	4.2
85.02879	18.5
91.05459	67.8
93.07023	91.6
95.04942	28.3
95.08560	39.0
97.06491	8.5
103.05417	3.3
105.07021	100.0
107.08572	46.1
109.06485	21.7
109.10149	15.0
113.11908	3.6
117.07000	16.1
119.06044	3.8
119.08543	68.1
121.10123	43.5
128.06165	4.1
129.06978	8.3
131.08554	23.7
133.10123	35.5
135.11626	6.5
137.09528	3.7
142.07758	7.8
143.08536	16.2
144.09325	3.7
145.10056	32.7
145.19684	4.3
147.11667	20.1
155.08537	7.0
156.09311	4.8
157.10110	31.9
159.11620	26.9
161.09567	4.0
161.13202	16.0
169.10083	14.5
171.11678	8.8
173.13319	5.7
183.11659	4.6
187.14700	14.1
197.13161	4.3
209.13254	4.4
213.16272	6.4
284.45468	3.8
311.25873	14.2
341.91263	4.0
370.77151	4.6
371.25616	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.4
53.03938	1.7
55.01857	3.4
55.05502	3.2
57.03425	19.0
57.07060	1.2
59.04992	7.1
61.02905	3.5
66.40464	0.7
67.05489	3.7
69.03415	65.4
69.07048	3.7
70.03731	0.7
70.06583	1.2
70.10238	0.7
71.04970	4.3
73.02898	1.8
74.29466	0.9
75.04457	1.0
78.09349	0.7
79.05468	7.6
81.03394	9.5
81.07025	5.6
83.04965	1.7
85.02886	52.9
85.06546	1.2
86.09691	1.0
87.04449	40.3
91.05458	12.9
93.07021	53.6
95.04960	7.8
95.08582	12.3
96.04475	1.1
97.02865	51.9
97.06519	8.2
98.97558	0.7
99.04440	4.9
101.05990	0.9
103.03860	0.9
105.03368	18.7
105.07019	6.8
106.02907	6.6
106.03730	7.5
107.04034	1.1
107.04915	1.9
107.08572	54.0
107.09302	1.8
109.02866	5.0
109.06502	4.8
109.10135	7.3
111.04390	1.2
111.08037	1.1
115.03906	52.2
117.06996	0.9
119.04921	8.4
119.08577	5.6
120.05258	0.7
121.06474	4.0
121.10167	1.5
122.33506	0.8
123.04399	5.9
123.08086	1.4
124.03930	12.2
125.09583	1.8
127.03866	6.9
133.04938	40.4
133.10101	1.8
135.04405	1.8
135.11668	100.0
136.07541	1.1
137.05945	20.1
137.09566	1.7
139.03824	1.1
145.04929	5.8
147.04378	13.9
147.11575	0.9
149.05943	3.2
151.04070	1.1
151.07562	1.7
152.14401	0.9
153.12718	13.5
163.03819	1.0
163.06024	1.3
165.05522	1.3
167.07001	59.8
179.07007	4.2
181.08519	1.3
195.28503	0.9
211.09694	1.4
241.07098	1.1
259.08121	5.4
267.15897	1.6
268.08133	4.3
269.09186	1.9
277.09232	1.0
285.16928	0.9
295.10178	8.1
303.14340	5.8
317.36353	1.0
434.14279	4.8
464.15118	1.1
498.56525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12776	0.5
53.03940	1.0
55.05497	4.7
57.03425	12.8
59.04990	4.8
61.02904	4.7
67.05484	5.5
69.03413	31.0
69.07047	4.5
69.55950	0.7
71.04972	21.9
73.02927	1.0
73.06532	5.7
73.91763	0.6
75.04456	0.7
79.05460	12.0
81.03394	24.1
81.07034	37.6
83.04973	5.9
83.08610	6.5
85.02887	28.2
87.04449	20.1
91.05462	11.4
92.09181	3.1
93.07020	21.5
95.04948	6.9
95.08598	5.6
96.37699	0.7
97.02868	32.0
97.06519	1.7
102.51576	0.7
105.03379	3.5
105.07010	5.2
107.04968	1.0
107.08575	15.7
109.02856	1.2
109.06509	1.2
109.10140	3.1
111.08070	4.7
115.03902	27.9
119.04935	3.8
119.08553	4.9
121.10129	1.3
127.03922	2.7
129.07018	1.5
131.08537	3.6
133.04932	22.8
133.06433	1.1
133.10092	1.2
135.11668	29.6
135.12683	1.3
137.05965	14.7
142.07753	1.3
145.04938	1.7
147.11615	5.9
149.09613	1.0
151.07533	6.3
153.12718	100.0
157.10126	3.6
165.12758	0.8
167.69235	0.8
170.69803	0.7
171.13773	1.6
175.11136	6.9
181.08548	7.8
193.12202	16.3
211.13243	14.0
259.07983	1.0
267.15955	5.3
268.64377	0.8
277.09103	1.0
285.16876	26.5
295.10208	3.2
361.82700	0.8
440.94751	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01239	0.2
52.60897	0.2
53.03929	0.6
53.91277	0.2
54.95182	0.3
55.01862	1.8
55.05502	5.7
56.32991	0.2
57.03425	8.6
57.03691	0.4
57.07059	0.3
58.97342	0.2
61.02909	4.3
67.05138	0.5
67.05492	15.3
67.07356	0.2
69.03411	1.5
69.07052	12.3
71.04967	2.7
73.02899	1.7
73.06541	0.4
79.05476	8.3
81.03410	1.7
81.07038	53.5
83.04971	4.8
83.08598	6.0
85.02892	5.0
85.06528	4.0
87.04445	0.3
91.03960	1.9
91.05460	14.2
92.08433	0.3
92.09013	1.8
93.07015	8.0
95.04941	1.4
95.08585	12.5
96.08949	0.3
97.02859	1.3
97.06506	5.3
97.10110	0.3
99.04412	0.6
99.08080	2.7
101.05983	1.4
105.03366	4.5
105.07011	25.6
107.08570	8.4
109.06495	3.7
109.10146	1.5
111.08086	1.1
113.05984	1.1
114.33833	0.3
115.07537	0.3
118.90425	0.3
119.08553	21.0
121.10116	17.3
123.04432	0.4
123.08044	3.6
123.11679	25.5
125.89601	0.3
127.03876	1.1
127.07513	2.6
129.07004	1.2
131.08539	1.1
133.10081	2.6
137.05949	0.6
137.09583	0.3
137.13240	2.9
137.14888	0.3
141.09064	0.6
145.10036	0.5
147.11664	63.4
149.09621	0.6
157.10124	3.9
165.12717	26.2
175.11165	3.3
183.13805	2.3
193.12190	2.4
218.78023	0.3
229.14285	4.8
232.88232	0.3
267.15848	33.0
285.16901	100.0
447.22192	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	482.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50611	0.4
52.93872	0.3
53.03933	0.8
55.01856	2.1
55.05499	7.7
57.03427	7.7
61.02913	4.4
67.05141	0.7
67.05492	17.3
69.03400	2.1
69.07051	12.1
70.13976	0.4
71.04967	2.2
73.02886	1.0
79.05474	7.8
81.03412	1.6
81.07036	59.6
83.04967	5.1
83.08604	7.7
85.02892	4.9
85.06519	3.5
87.04468	0.4
89.51759	0.4
91.03920	2.5
91.05460	15.6
92.09001	2.7
92.60931	0.4
93.07020	8.6
95.04933	2.3
95.08582	15.6
97.02851	3.3
97.06496	5.9
97.10153	0.9
99.08070	3.5
101.06013	1.6
102.59203	0.5
105.03374	3.0
105.07008	27.4
106.43075	0.4
107.08582	11.3
109.02880	0.6
109.06471	4.8
109.10148	1.7
111.08069	0.9
113.05986	0.9
118.15276	0.4
119.08560	23.7
121.10122	18.4
123.08054	4.2
123.11684	26.6
126.14304	0.4
127.03860	0.6
127.07495	2.9
129.06989	0.8
131.08528	0.9
133.10095	2.6
135.11679	0.6
137.09575	0.6
137.13229	2.0
141.09059	0.4
145.10103	0.4
147.11664	67.7
149.05882	0.4
157.10078	2.1
160.07242	0.4
163.03899	0.8
165.12706	26.9
166.58818	0.5
175.11201	3.6
183.13791	3.5
193.12170	3.5
229.14302	6.9
267.15854	48.3
283.25757	0.5
285.16898	100.0
286.17227	0.8
303.17990	0.9
447.21915	0.6
447.27826	0.5
482.11301	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.01860	4.8
55.05502	8.5
57.03426	12.9
57.07064	1.2
59.04963	0.8
61.02916	2.5
65.33822	0.9
65.74762	0.9
67.05493	29.1
68.86344	0.8
69.03416	12.1
69.07056	37.3
70.06586	1.3
70.07389	4.9
71.04978	6.3
79.05476	17.1
81.03397	13.7
81.07038	73.1
83.04965	9.3
83.08591	9.9
85.02888	29.5
85.06544	6.1
91.03962	1.1
91.05458	21.5
93.07027	15.4
95.04929	9.0
95.08584	24.0
97.02866	13.4
97.06512	9.7
97.10146	1.4
99.04436	5.9
99.08067	2.0
101.06009	1.3
103.03937	1.1
105.03374	33.7
105.07006	28.3
106.03716	1.2
107.04923	1.4
107.08575	15.1
109.02864	12.9
109.06507	6.3
109.10132	7.2
109.17809	1.0
110.03188	1.4
111.08075	1.7
112.07581	2.4
113.05949	1.9
116.04969	1.6
117.07042	1.3
119.08560	26.7
121.06513	1.9
121.10117	24.0
123.04398	5.3
123.08055	2.3
123.11678	36.4
127.03899	10.3
127.07519	2.4
129.06989	2.0
131.08562	2.1
132.08070	1.0
133.10104	5.6
135.11668	1.4
137.05923	2.1
137.09612	1.7
137.13213	2.1
138.06357	1.1
140.07040	23.4
141.07396	10.7
142.07474	2.2
145.04967	5.5
145.10081	1.2
147.11664	78.9
149.09596	1.5
151.11139	1.1
157.10141	2.1
159.09157	1.8
161.02289	1.2
163.03929	1.5
163.07486	1.6
165.12720	30.1
167.07018	4.7
168.06509	24.7
169.06870	13.7
170.07048	4.9
173.02301	1.3
175.11189	4.4
177.05382	1.6
181.08554	1.7
183.13794	2.1
186.07686	1.4
187.08058	1.0
189.09145	1.2
215.06987	4.6
229.14339	4.7
249.07579	4.7
259.09708	1.3
267.08548	4.4
267.15869	37.1
267.18607	1.3
285.16910	100.0
296.10226	1.3
358.75290	1.2
361.16174	1.7
414.06619	1.1
429.21213	1.4
474.81747	1.2
507.02203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.2
54.15805	1.0
54.81086	1.1
55.01861	7.4
55.05499	14.3
57.03434	9.2
57.07061	22.9
58.20132	1.0
59.04973	4.1
61.02913	4.7
67.05489	2.0
68.99801	1.4
69.03412	32.5
69.07052	87.8
71.04980	9.3
71.08614	13.5
73.02901	9.4
73.06535	22.0
73.06899	1.4
75.27883	1.0
79.05499	1.7
81.03394	30.0
81.07024	8.5
83.04955	2.3
83.08601	2.9
85.02888	76.9
85.06538	1.6
85.10160	7.2
87.00812	37.5
87.04433	1.9
89.06010	33.6
91.05463	2.0
92.09097	6.3
93.07031	6.3
95.04935	1.9
95.08587	4.9
97.02872	47.0
99.04408	12.3
99.59119	1.4
105.01842	36.2
105.03356	10.0
105.07037	6.2
105.72356	1.2
107.08591	5.5
109.02856	29.4
109.06519	2.4
109.10168	2.9
111.08077	1.4
111.11701	100.0
117.01863	5.6
119.08585	2.7
125.16071	1.3
127.03883	42.1
129.01788	1.5
129.06967	1.4
129.11757	2.7
129.12726	77.9
137.05963	2.2
145.04939	17.1
157.10094	1.9
159.02808	11.4
159.11661	1.4
199.16893	14.8
216.28719	1.5
217.17984	18.0
229.91460	1.1
231.04980	9.8
249.05824	2.2
359.16635	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.8
53.03926	1.7
55.01858	4.2
55.05499	6.1
57.03429	35.5
57.07065	1.9
59.04993	8.6
61.02916	1.9
62.97004	0.8
67.05487	6.3
69.03414	100.0
69.07047	6.3
71.01325	1.7
71.04965	10.9
73.02889	6.0
75.04449	5.2
79.05470	13.3
81.03395	9.1
81.07037	75.0
83.04964	1.7
83.08612	2.2
85.02886	72.9
85.06531	14.7
87.04448	71.4
87.04981	2.3
91.05446	12.2
92.08963	4.7
93.07021	76.9
94.82563	1.0
95.04941	5.4
95.08588	24.3
97.02868	79.4
97.06496	3.3
99.04427	5.4
103.03941	1.8
105.03363	16.1
105.07025	8.4
107.04939	8.4
107.08574	63.9
109.02862	6.2
109.06504	1.5
109.10151	2.2
115.03907	82.0
119.04929	1.3
119.08559	5.2
121.06481	1.0
121.10092	4.6
123.04430	1.4
123.11764	0.9
127.03900	6.8
133.04939	75.4
135.04382	4.4
135.07954	0.9
135.11671	58.4
137.13211	13.9
139.03818	1.0
145.04912	9.4
153.12737	4.2
159.31102	0.9
166.08514	1.0
169.04985	1.6
175.11252	1.1
179.05435	7.4
184.07306	1.2
241.07045	1.3
249.07556	1.9
259.08072	8.1
267.08701	1.2
277.09167	1.8
295.10147	9.9
456.25439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	2.0
53.03931	7.6
55.01854	10.1
55.05510	15.5
57.03431	10.6
57.07067	22.7
59.05005	5.0
59.20626	1.2
59.95370	1.2
61.02907	6.7
67.05481	3.4
68.12839	1.3
68.99782	1.9
69.03416	38.3
69.07053	92.1
70.28199	1.2
71.04978	12.0
71.08610	15.9
72.27564	1.6
73.02890	9.0
73.06548	18.0
79.05471	5.7
81.03400	28.3
81.07021	8.0
83.04955	2.5
83.08611	5.4
85.02892	85.8
85.10162	7.2
87.00320	2.3
87.00815	45.1
89.05526	2.0
89.06018	38.4
91.03925	2.3
91.05465	3.1
92.09164	2.2
93.07031	6.3
95.04956	2.5
95.08607	3.1
97.02870	49.7
99.04425	18.2
105.01856	33.8
105.03367	14.8
105.06985	6.0
107.08559	6.7
109.02854	24.1
109.10128	6.3
111.11700	100.0
111.32828	1.5
115.03909	1.5
117.01841	3.6
119.08548	6.2
121.06522	1.7
121.10149	2.7
127.03887	52.1
129.01785	2.7
129.12730	90.7
131.08542	2.3
133.10104	5.9
137.05916	2.1
145.04967	16.2
145.10062	1.7
159.02844	13.5
169.10124	1.6
195.75316	1.5
199.16917	14.7
217.17984	17.4
231.04912	9.4
232.80205	1.7
252.57742	1.6
267.08380	1.9
280.23798	1.4
359.17081	2.0
407.59448	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84363	1.1
53.00306	2.2
53.03927	1.8
55.01863	2.4
55.05500	5.9
57.03428	29.4
57.07062	5.1
59.04979	7.9
60.60622	1.1
61.02913	5.4
63.37818	1.2
67.05486	5.6
69.03415	94.8
69.07061	25.9
71.04976	29.5
73.02898	3.0
73.06529	3.1
75.04465	3.0
79.05467	12.4
81.03406	6.7
81.07042	34.4
83.04964	1.7
83.08607	7.6
85.02891	76.0
87.04449	57.8
87.04981	1.8
91.04004	2.1
91.05454	13.3
92.09095	6.0
93.07021	42.1
95.04940	7.3
95.08588	14.4
97.02873	72.8
97.06519	10.9
99.04402	3.9
105.07023	11.8
107.04929	1.9
107.08578	39.0
109.02864	2.4
109.06509	12.2
109.10146	11.9
111.04427	1.6
111.08054	1.8
115.03910	58.9
119.08559	12.9
121.06467	2.9
121.10135	7.1
122.92112	1.2
123.04417	1.6
123.08063	1.7
123.11701	2.1
125.13238	2.6
127.03882	9.7
131.08534	2.0
133.04945	46.3
133.10106	5.3
135.08110	1.7
135.11658	38.5
137.13210	1.3
139.11139	2.0
143.08549	2.6
145.04932	7.5
147.07983	2.0
147.11649	1.9
149.09598	2.8
151.11182	2.0
153.12717	100.0
159.08069	1.6
159.11667	1.6
161.09677	1.3
163.05949	2.3
163.11206	1.9
165.12732	5.4
173.09575	1.4
177.12694	2.6
181.09981	1.3
189.12721	1.5
195.13838	2.2
211.43361	1.3
214.35872	1.2
225.09062	2.6
237.09000	1.9
249.14909	2.8
259.08054	6.5
261.14743	1.5
267.15784	4.6
277.09149	2.3
279.15765	1.9
285.16888	9.6
295.10138	6.0
297.16882	5.7
303.04428	1.4
315.17990	11.0
333.19101	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01850	1.2
57.03420	3.4
57.41887	0.7
61.02893	0.9
69.03399	5.3
77.87057	0.7
79.05464	7.6
81.03396	4.2
85.02913	6.1
85.37541	0.8
91.05461	6.9
92.09123	4.0
93.07021	4.6
95.04932	2.0
97.02885	2.2
103.05447	9.6
105.03333	1.0
105.07018	14.1
107.04199	1.8
107.04935	56.5
107.08586	0.8
109.02850	1.5
111.21739	0.8
115.03899	1.4
115.05435	4.4
119.04912	1.1
120.05713	1.8
121.02837	5.6
121.06474	6.6
123.04433	3.1
124.05247	0.9
131.04897	5.7
133.04938	1.0
133.06468	15.4
134.07269	1.0
135.08029	22.8
135.11687	1.7
137.05975	3.9
144.05627	1.0
145.07564	1.8
146.03624	4.2
147.04372	1.9
148.05167	5.4
149.05951	12.1
151.03943	1.3
154.06262	1.4
161.05951	19.3
162.06773	0.9
163.03899	2.1
163.07501	57.6
165.05435	5.9
165.09094	1.7
166.06219	5.2
167.06993	86.7
178.06203	26.8
179.06989	5.6
180.07776	100.0
181.08560	15.6
189.09016	1.1
191.06940	0.9
192.07811	1.1
193.08543	20.6
194.09392	1.4
195.10124	79.0
196.10329	1.2
211.09583	12.3
213.11147	14.7
241.10838	1.2
242.91229	0.9
255.12105	1.6
267.12234	1.3
269.10229	0.9
269.13760	2.1
285.03601	1.0
285.13257	6.0
319.11530	1.3
373.14966	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01854	0.4
55.05493	0.2
57.03421	1.0
61.02898	0.6
65.03921	1.1
66.40337	0.2
69.03414	5.8
71.04973	0.7
73.02901	0.3
78.73678	0.1
81.03404	6.2
82.15008	0.2
83.04953	1.4
85.02885	5.2
87.04449	0.3
92.08926	0.6
95.04945	6.0
97.02868	3.1
99.04427	1.0
109.02863	2.5
111.04420	2.7
115.42163	0.2
121.02843	100.0
122.03186	0.4
123.04380	0.3
127.03875	1.5
129.05443	1.6
139.03879	15.9
145.04930	0.2
147.06496	0.8
165.07494	1.4
167.06993	1.1
177.05374	0.2
180.92503	0.2
183.08614	0.9
247.05879	0.4
258.25644	0.2
265.07053	4.3
270.85678	0.2
283.08063	16.9
285.09552	0.4
312.82242	0.2
347.10007	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08536	0.3
50.40006	0.3
50.54900	0.3
50.93341	0.3
53.03765	0.3
53.03937	4.1
55.01852	1.5
55.05490	1.8
57.03424	4.3
61.02908	0.8
63.53928	0.3
63.94929	0.3
67.05499	3.0
69.03415	8.4
69.07056	0.9
71.04979	2.9
73.02874	0.3
77.03928	0.5
79.05476	7.5
80.45595	0.3
81.03399	18.5
81.07042	5.3
83.04945	1.6
83.08596	2.4
85.02423	0.6
85.02893	10.9
85.06508	1.3
86.09686	0.4
91.05451	3.2
92.08839	1.4
93.07018	5.0
95.04943	9.3
95.08575	2.9
97.02873	9.2
97.06515	0.9
97.10129	0.8
99.04391	2.8
99.28271	0.3
103.05433	5.1
104.10795	0.3
105.03370	100.0
105.06992	4.1
107.04938	29.5
107.08556	3.2
108.04464	1.7
108.75929	0.4
109.02860	8.7
109.06502	1.9
109.10129	3.5
111.08054	0.5
113.05894	0.3
119.08553	1.9
121.06488	9.0
121.10122	1.3
123.04408	8.3
123.08092	0.4
123.11652	0.8
127.03873	6.0
127.07587	0.5
129.06970	0.7
131.04910	2.4
131.08488	1.3
132.78314	0.3
133.10049	3.6
135.08029	7.1
135.11694	0.7
137.05959	2.9
137.09608	0.5
145.04951	1.7
147.04323	0.4
147.11708	1.8
148.05182	4.8
149.05948	6.6
149.09593	0.5
151.07567	0.5
151.11137	1.5
153.12729	0.6
157.10120	0.8
157.23877	0.4
163.07501	10.1
163.11171	0.6
165.09055	0.5
165.12708	0.6
166.04967	4.1
169.12274	0.4
171.13779	0.4
175.11176	1.5
176.76250	0.4
181.08549	33.7
193.12238	2.8
199.07446	0.4
203.76294	0.4
205.92046	0.4
211.13298	2.3
249.07515	13.5
267.08609	13.0
267.15891	0.7
267.19458	1.5
283.15457	0.4
284.15683	0.5
285.16925	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	482.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60686	0.3
53.03926	0.5
53.86326	0.2
55.01859	0.7
55.05494	1.8
55.97034	0.3
57.03426	2.4
61.02908	1.7
65.03919	1.2
69.03416	15.3
71.04956	1.5
73.02898	1.4
81.03399	5.1
83.04963	5.8
85.02884	10.8
85.03367	0.6
87.04448	1.5
91.03966	0.5
92.09098	0.7
95.04942	4.8
97.02885	3.3
99.04440	2.1
103.03924	1.4
109.02841	2.6
111.04422	5.8
120.93568	0.4
121.02841	100.0
122.03216	0.4
123.04390	1.2
127.03895	1.7
129.05438	7.2
137.05977	1.6
138.23967	0.3
139.03870	12.7
145.04936	0.4
147.06520	2.3
163.03868	0.3
165.07552	8.4
167.06964	5.5
169.04951	0.4
181.08577	0.3
183.08459	0.5
193.01291	0.6
193.08627	0.3
211.09607	0.7
265.06949	3.0
267.08603	0.5
283.08109	11.0
285.09619	2.1
285.12888	0.3
303.10654	1.4
303.14127	0.5
358.59689	0.4
413.51151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
53.03944	3.9
55.01860	1.2
55.05499	0.9
57.03425	2.7
61.02908	1.0
67.05473	2.0
69.03417	8.2
69.07043	1.0
71.04987	1.6
73.02888	0.4
78.80043	0.2
79.05045	0.4
79.05477	6.2
80.18015	0.2
81.03400	18.6
81.07041	3.6
83.04964	1.2
83.08599	1.0
85.02889	10.3
85.06528	0.3
87.04442	0.5
91.05469	2.8
92.08977	1.1
93.07033	3.2
95.04939	7.8
95.08596	1.8
97.02874	9.8
97.06522	0.4
97.10165	0.3
99.04435	2.7
103.03971	0.2
103.05455	3.5
104.23811	0.3
105.03376	100.0
105.06997	2.8
106.03648	0.2
107.04940	20.4
107.08577	1.8
108.04461	1.1
109.02872	8.1
109.06513	1.1
109.10135	2.4
111.04391	0.3
111.08080	0.4
115.03959	0.2
117.06997	0.4
119.04876	0.3
119.08546	1.6
121.06490	6.1
121.10117	1.4
123.04408	10.0
123.05293	0.4
123.08022	0.3
123.11719	0.4
125.09594	0.2
126.05476	0.3
127.03896	7.4
129.07024	0.3
131.04919	2.5
131.08554	1.0
133.04893	0.2
133.06453	0.4
133.10092	2.2
135.04375	0.2
135.08038	4.4
135.11708	0.9
137.05971	1.5
137.09590	0.3
138.05505	0.4
139.07576	0.3
143.08479	0.2
145.04945	1.9
147.04419	0.2
147.11678	1.0
148.05209	2.1
149.05962	4.2
149.09645	0.5
151.11179	1.4
153.12738	0.3
157.10106	1.0
159.11690	0.3
163.06216	0.5
163.07524	6.8
165.09071	0.5
166.04974	5.1
169.12239	0.8
171.13828	0.2
175.07544	0.3
175.11189	0.8
177.05507	0.3
177.16403	0.2
181.08565	23.0
193.12202	2.2
211.13235	1.0
231.06467	0.5
249.07532	15.6
267.08585	14.2
267.15952	0.5
267.19620	0.3
285.16943	6.6
285.20059	0.5
289.10867	0.3
447.16309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50850	3.1
52.63110	2.5
55.05499	40.1
57.07062	15.1
67.05490	66.6
69.07056	48.3
69.32466	2.9
71.08633	5.6
79.05468	20.6
81.06597	4.9
81.07043	88.8
81.31505	2.9
83.04991	3.1
83.08611	37.2
85.17975	2.8
89.06003	3.8
92.08829	4.3
93.07012	20.0
95.08001	5.6
95.08578	100.0
97.10149	21.3
105.07011	3.8
107.08566	18.8
109.10123	50.3
121.10156	6.0
123.11638	16.8
135.11667	7.3
137.13261	7.2
149.13269	4.5
408.80518	3.8
427.42706	14.4
445.44150	5.7
481.36368	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
53.03939	3.5
55.01857	1.0
55.05494	0.4
57.03429	2.5
61.02907	0.4
67.05499	1.6
69.03414	7.6
69.07040	0.9
71.04975	1.6
73.02894	0.4
77.03896	0.3
77.21088	0.2
79.05471	5.7
79.90085	0.2
81.03398	18.0
81.07028	2.5
83.01342	0.2
83.04966	0.5
83.08606	0.9
85.02890	9.6
85.06552	0.3
87.04456	0.3
91.05456	1.9
92.08968	1.1
93.07027	2.7
95.04947	7.2
95.08579	1.9
97.02866	9.8
97.06480	0.4
99.04430	3.0
101.02342	0.2
103.05439	2.1
105.03374	100.0
105.07010	2.6
106.03712	0.3
107.04939	12.9
107.08578	2.1
108.04468	1.0
109.02858	8.8
109.06505	0.8
109.10142	1.8
111.04451	0.3
111.08051	0.3
114.05473	0.9
115.03931	0.2
117.06980	0.2
119.08556	1.2
121.06492	3.7
121.10136	1.2
123.04399	7.9
123.08060	0.3
123.11678	1.0
127.03885	5.5
129.06932	0.4
131.04901	1.1
131.08551	1.1
133.10130	1.7
135.08038	3.3
135.11688	0.4
137.05952	1.4
137.09569	0.3
139.07500	0.3
145.04929	1.6
147.04425	0.3
147.11665	1.3
148.05148	1.9
149.05988	3.2
149.09587	0.4
151.07536	0.3
151.11154	1.2
153.12746	0.9
157.10104	0.5
163.06189	0.3
163.07507	4.4
165.09041	0.3
165.12723	0.3
166.04964	3.9
169.12204	0.4
175.11151	0.7
179.06918	0.2
180.42432	0.2
181.08559	14.0
193.12206	1.5
211.13298	1.2
231.06505	0.3
249.07516	16.3
267.08594	12.4
267.15927	0.4
285.16934	5.3
383.25168	0.2
416.47156	0.2
429.21329	0.3
491.24557	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	4.1
55.01852	6.2
55.05501	55.1
57.07055	18.5
60.76889	3.1
64.33311	3.7
67.05483	37.4
69.06712	5.1
69.07056	91.5
71.08607	7.4
77.55609	3.1
79.05469	15.5
81.06590	6.1
81.07034	100.0
83.04961	4.7
83.08596	49.5
91.05447	6.8
92.08845	30.2
93.07015	18.3
95.08582	82.8
97.10156	19.5
99.04404	4.3
105.06992	17.0
107.08565	35.6
109.06468	8.5
109.10139	59.1
111.11723	6.0
119.08554	23.3
121.10109	31.4
123.08054	7.8
123.11673	19.8
125.05961	19.5
125.09667	4.4
127.03896	7.8
131.08537	6.5
133.10112	15.2
135.08032	18.1
135.11658	15.5
137.05965	73.3
137.09589	65.7
137.13190	13.3
142.79509	3.9
145.10068	14.4
147.11604	6.4
149.09608	6.1
149.13223	8.7
151.07495	27.2
151.11232	6.1
159.11682	6.7
161.13187	4.8
163.11139	6.3
163.14735	5.2
165.09023	6.6
171.11679	6.6
175.11150	5.3
175.14850	4.3
177.12749	7.8
191.10641	14.4
192.85281	4.0
205.12221	6.0
246.96935	3.5
399.36108	6.8
401.37918	13.4
417.37259	38.7
427.35706	6.7
445.36667	25.8
463.37357	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	481.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04676	0.9
53.03929	0.9
55.01867	1.5
55.05503	32.2
55.81898	0.7
57.03419	1.6
57.07066	19.4
58.77962	0.8
59.05004	1.2
61.02917	1.0
65.03941	0.8
67.05487	46.1
67.05847	1.5
67.26585	0.8
69.03417	6.3
69.07049	57.0
70.99104	0.9
71.04967	10.3
71.08601	8.4
79.05467	26.0
79.05894	1.3
81.03390	2.0
81.07035	100.0
83.04958	5.6
83.08597	33.6
85.02884	11.0
85.06522	10.7
85.10173	1.8
87.04428	1.1
90.07758	0.8
91.05453	7.7
93.07021	48.5
95.04990	3.4
95.08578	98.9
96.08931	0.9
97.02873	5.3
97.06516	5.5
97.10144	22.8
97.42616	1.0
99.04442	1.2
99.08061	4.9
105.03352	7.2
105.07026	11.0
106.03745	0.9
107.08567	36.3
109.02883	1.9
109.06507	1.9
109.10135	56.5
111.08053	5.8
111.11698	9.7
113.09603	1.2
119.04951	1.1
119.07809	1.1
119.08535	8.1
121.10108	38.6
123.11687	20.4
125.09617	4.7
125.13258	1.6
127.03918	1.5
131.08585	1.4
133.10085	4.8
135.08090	1.3
135.11658	34.0
137.05986	6.9
137.13229	9.4
139.14877	1.0
143.08559	1.6
145.10051	2.1
147.04376	1.2
147.11687	3.8
149.13248	21.2
151.14810	8.2
157.10045	1.2
159.11761	1.2
161.09651	1.3
163.14758	10.1
165.16377	5.9
169.15829	1.4
177.16371	5.7
183.72174	0.9
191.17923	6.0
205.19531	1.2
244.66209	1.0
247.24156	25.6
254.75671	0.9
265.25180	19.0
283.26266	13.9
301.27313	23.6
319.28311	1.3
367.39569	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.7
54.81883	0.8
55.05503	25.5
56.34192	0.7
56.57895	0.7
56.92117	0.7
56.96560	0.7
57.03424	15.6
57.07061	12.9
65.35094	0.7
67.05486	20.0
69.07052	35.0
71.08602	5.9
79.05477	10.8
81.07039	21.8
83.04951	1.5
83.08604	21.3
85.10162	1.8
91.05485	1.6
92.09164	5.6
93.07014	15.9
95.04949	1.1
95.08574	20.1
97.06498	5.1
97.10152	13.0
98.98509	1.1
105.06995	1.5
107.08568	8.5
109.10168	7.1
111.08063	1.7
111.11681	1.4
119.08586	1.6
121.10108	9.0
123.11664	1.0
125.09572	1.4
130.12306	1.0
135.11636	6.9
139.65285	0.8
143.18138	0.9
149.13232	1.3
163.14752	1.1
165.09056	1.0
170.34343	0.8
173.50957	0.8
185.13445	0.8
265.25131	1.0
274.95688	0.8
308.29437	3.6
339.28867	100.0
340.29208	1.1
459.80319	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
54.08039	0.3
55.01860	1.5
55.05501	3.2
57.03419	1.9
58.27833	0.3
61.02894	0.6
67.05485	2.6
69.03410	2.5
69.07056	0.9
71.04955	0.6
71.22012	0.3
79.05475	2.7
81.03400	2.4
81.04517	0.3
81.07030	5.1
83.01321	0.6
83.04967	2.2
83.08604	2.4
85.02885	4.2
85.06544	0.7
90.32510	0.4
91.05451	2.2
92.09039	0.6
92.41342	0.4
93.07024	5.0
93.33931	0.3
94.07398	0.5
95.04961	1.7
95.08585	3.3
97.02863	1.8
97.06432	0.5
97.96637	0.3
99.04393	1.3
105.03371	2.7
105.06995	2.9
107.04950	0.7
107.08598	3.4
109.02840	0.7
109.06512	0.9
109.10157	1.7
111.08054	0.6
115.03854	0.5
117.06976	0.7
119.08559	1.8
121.06446	0.6
121.10162	2.7
122.10503	0.4
123.08070	1.5
123.11674	0.8
125.05975	0.4
127.03732	1.8
131.08533	0.5
133.10103	0.7
135.04364	0.5
135.08014	0.4
135.11690	1.5
137.05951	0.8
137.09625	0.5
137.28865	0.4
142.61926	0.4
145.10103	3.2
146.10500	0.6
147.04378	0.8
153.12790	0.6
159.11713	0.7
163.11122	3.0
164.11505	0.6
165.09128	0.7
169.82155	0.4
184.07228	0.4
184.72717	0.4
186.06503	0.6
192.87608	0.5
209.11690	0.8
215.05258	1.4
229.06863	0.8
230.05537	0.5
283.15378	9.1
284.15637	4.0
317.08301	4.0
349.12448	1.5
406.29050	0.4
440.13013	0.6
481.16696	100.0
493.82431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01860	0.6
55.05502	4.3
57.03431	6.7
59.04983	0.9
61.02911	0.5
67.05484	2.8
69.03065	0.9
69.03413	16.8
69.07062	1.0
71.04971	4.0
73.02900	4.7
75.04453	6.0
77.36044	0.4
79.05472	20.7
81.03398	16.1
81.07037	11.0
83.04958	2.3
83.08610	0.5
85.02891	10.4
87.04439	2.3
91.05453	15.3
92.08942	3.2
93.07020	100.0
95.04951	7.5
95.08588	4.6
97.02868	9.4
97.06509	1.1
99.04430	21.7
103.05458	0.6
105.03366	0.6
105.04498	0.9
105.07013	10.1
107.04932	0.7
107.08573	16.2
109.02864	6.9
109.06499	4.7
109.10147	2.1
111.04446	0.7
111.08059	9.3
115.03931	2.2
116.06216	0.6
117.05479	4.9
117.07022	0.9
119.08556	15.8
121.06467	2.6
121.10117	81.6
123.08060	2.9
123.11677	10.2
125.05980	0.7
127.03870	3.8
129.06956	0.6
131.08536	8.4
133.04929	1.0
133.06532	0.6
133.07571	0.9
133.10106	2.0
135.11650	0.7
139.11159	2.5
145.04947	1.7
145.10144	2.0
147.04378	0.8
149.09587	22.0
151.11191	5.1
167.10635	15.6
169.12193	7.3
175.11163	0.5
179.31487	0.5
189.64713	0.5
193.12296	0.7
209.11707	0.6
221.93272	0.6
283.15311	2.3
286.17203	0.6
293.13724	6.0
311.14853	15.7
329.15909	0.8
348.51120	0.4
391.17313	0.6
419.03067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42548	0.4
53.03923	0.8
54.38676	0.4
55.01857	2.4
55.05504	7.9
57.03189	0.4
57.03425	5.7
57.07051	0.5
61.02921	4.0
64.45449	0.4
65.64272	0.5
67.05188	0.5
67.05492	10.0
69.03397	3.3
69.07040	5.0
71.04975	1.1
73.02899	1.8
79.05470	14.8
81.03400	4.3
81.07043	14.6
83.01312	0.9
83.04951	2.7
83.08601	8.2
84.40897	0.4
85.02882	5.0
85.06500	1.1
91.03919	2.3
91.05441	4.8
92.09098	1.0
93.06418	0.7
93.07021	28.1
95.04953	6.2
95.08584	29.8
96.81126	0.6
97.02863	5.0
97.06503	4.3
97.10107	0.8
99.04439	3.3
105.03365	2.4
105.07018	5.0
107.04943	8.0
107.08573	23.2
107.09294	1.0
109.02845	0.7
109.06487	3.1
109.10124	2.8
109.38198	0.5
111.04435	1.9
111.08057	2.3
113.05963	0.7
113.09604	0.8
117.03325	1.9
117.07015	7.5
119.04908	2.0
119.08556	7.9
121.06479	5.4
121.10118	11.2
123.08052	1.9
123.11683	0.7
125.05959	2.8
127.03876	0.5
129.07002	0.6
130.07806	0.8
131.08546	1.1
133.10106	2.3
135.08014	2.6
135.11671	44.1
137.09563	0.6
139.07523	2.0
139.11194	0.7
145.02843	7.4
145.10100	23.1
147.04375	9.5
149.09589	0.9
151.11137	0.6
153.12646	0.9
163.11150	57.3
173.09619	1.1
177.05434	10.1
181.12192	12.7
187.04781	0.5
209.11615	0.7
227.12746	66.3
265.17929	0.7
283.15347	100.0
339.10672	0.8
445.20410	2.1
462.15390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.5
55.01860	0.7
55.05483	1.1
57.03428	8.0
57.07049	0.9
59.04986	4.4
60.67699	0.4
61.02894	0.6
67.05505	4.4
69.03416	19.4
69.07048	2.3
70.06561	0.6
71.04971	8.3
73.02880	0.8
73.06517	0.8
74.09692	0.4
75.04459	0.6
79.05479	2.5
81.03383	2.4
81.07037	13.1
83.04951	2.2
83.08594	1.0
85.02890	23.7
85.06525	1.1
87.04449	9.8
91.05464	1.1
92.08964	2.8
93.07010	5.8
95.04932	2.4
95.08597	3.9
97.02869	13.9
97.06516	4.0
97.10155	0.6
99.04436	9.5
105.03357	1.9
105.06992	2.2
107.04948	0.8
107.08576	12.5
107.92184	0.5
109.02885	0.7
109.06503	4.8
109.10146	18.5
111.07310	0.8
111.08065	23.8
113.05988	2.2
115.03905	12.1
119.08552	0.8
121.10136	1.8
123.04305	0.5
123.08054	6.2
123.11684	39.7
125.09623	4.4
126.05489	1.1
127.03863	2.5
131.08537	1.0
133.04942	7.4
133.10081	2.9
137.09615	0.5
140.07039	0.5
141.12709	5.6
145.04909	1.0
145.10065	0.7
147.04352	0.5
147.11714	0.5
147.40697	0.5
151.11148	16.1
169.12202	100.0
175.80725	0.5
179.14293	0.7
197.15291	1.0
217.04976	0.8
245.04361	1.0
265.17899	0.6
273.03860	2.2
283.15283	0.7
283.18826	0.5
301.03580	3.9
301.16339	2.6
331.17444	9.3
445.20297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81921	0.4
52.82465	0.4
53.03926	3.2
53.61832	0.5
55.01867	4.2
55.05508	9.9
57.03427	6.1
57.07055	1.2
60.08146	0.5
61.02910	2.3
67.05484	9.1
68.69712	0.5
68.99789	0.7
69.03418	12.6
69.07052	12.2
70.06580	0.5
71.04976	8.1
72.72152	0.4
73.02876	2.4
79.05473	7.8
81.03402	12.0
81.07037	35.9
83.04975	4.7
83.08607	11.6
85.02890	26.3
85.06534	8.5
86.09686	2.4
87.00815	11.5
87.04452	0.7
91.05449	11.6
91.17653	0.5
92.08659	0.8
92.09170	1.6
93.07023	12.7
95.04929	1.0
95.08583	54.7
96.12157	0.7
97.02880	9.9
97.06516	11.7
97.10157	6.1
99.04421	4.6
99.08057	5.0
101.02289	0.5
101.05996	0.8
104.10683	0.6
105.01855	4.6
105.03368	3.2
105.07017	16.8
106.02921	0.7
107.08568	9.6
109.02872	8.7
109.06496	3.3
109.10141	6.8
111.08070	3.0
113.09643	2.3
115.03875	0.8
115.07520	1.0
117.01823	0.8
118.79372	0.5
119.08558	29.5
121.10110	11.1
123.08029	6.2
123.11676	1.1
124.03914	4.2
124.99952	0.9
127.03889	10.2
127.07529	1.0
133.10114	20.0
134.70049	0.5
135.11671	17.2
136.93550	0.6
137.05966	1.0
137.09607	2.3
137.13252	14.1
145.04921	2.5
149.13266	0.6
159.02861	2.8
161.13228	67.5
177.16284	0.8
179.14270	53.0
184.07289	2.5
197.15349	14.4
215.16386	100.0
268.07910	0.6
286.09186	0.9
317.06320	1.1
318.06696	2.8
377.54288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54300	0.2
53.03926	1.4
55.01855	1.6
55.05489	0.3
57.03424	3.0
59.04988	2.6
61.02910	5.3
69.03412	12.5
69.07062	0.3
70.06560	0.3
71.01331	0.3
71.04965	1.6
71.23515	0.3
72.08137	0.4
73.02911	2.5
74.09698	5.4
79.05473	1.1
81.03392	6.0
81.07065	0.4
83.04963	0.4
84.08134	0.4
85.02885	48.5
85.06512	0.3
87.04453	4.3
91.03921	1.9
91.05458	3.2
92.08763	1.1
93.06475	0.4
93.07020	5.8
95.04941	1.9
95.08580	0.4
97.02869	14.5
99.04427	2.9
101.02347	0.4
103.03951	0.5
103.05450	2.7
105.03366	11.6
105.04444	0.5
105.05492	1.4
105.07004	0.5
107.04880	0.4
107.08572	0.4
109.02858	5.9
115.03902	0.4
117.07024	0.4
119.04904	0.4
120.08035	0.3
121.02842	1.7
121.06476	100.0
123.04415	2.3
124.07601	0.3
127.03889	10.7
131.08525	0.6
133.04924	0.4
133.06453	1.7
133.10126	0.4
135.04391	2.0
135.08002	0.4
137.05940	1.1
138.09143	1.4
139.03909	0.3
139.07504	9.6
145.04933	12.2
145.06534	0.6
147.04379	2.0
151.07538	0.6
155.08505	0.3
156.10178	0.3
157.06427	0.3
159.08023	0.7
163.03859	1.3
163.05988	3.2
163.07431	0.5
166.08592	2.4
175.07542	0.3
187.07484	2.1
188.81552	0.3
198.11057	0.3
198.57741	0.3
200.54756	0.3
205.08635	0.9
210.55891	0.3
217.08553	0.5
229.08598	1.0
231.08546	0.5
247.09599	1.3
248.28854	0.3
248.51607	0.3
249.07503	0.7
249.09782	0.4
265.10626	1.0
267.08597	1.9
283.08041	0.4
301.12543	0.5
310.98178	0.3
325.11172	1.1
402.57214	0.3
480.19919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	0.3
53.03934	1.8
55.01859	1.7
56.96542	0.4
57.03434	3.3
59.04986	2.6
61.02912	5.6
63.22803	0.3
63.66680	0.3
67.05454	0.3
69.03416	11.6
69.07057	0.3
70.06554	0.5
71.04963	1.3
73.02906	2.5
74.06067	0.3
74.09697	5.2
76.26846	0.3
77.03921	0.3
79.05471	1.6
81.03400	6.9
83.01293	0.3
83.04934	0.4
85.02889	50.5
87.04462	4.4
91.03928	2.4
91.05440	2.1
93.07021	4.2
95.04925	2.1
95.08585	0.7
96.34810	0.3
97.02867	15.0
97.06499	0.3
99.04428	2.4
103.05450	3.0
104.07471	0.3
105.03369	14.4
105.05484	1.4
105.07026	0.4
107.04913	0.3
107.08558	0.5
109.02864	5.1
111.04392	0.4
115.03904	0.4
116.04267	0.3
119.04947	0.3
121.02870	2.0
121.06480	100.0
121.58643	0.3
122.06733	0.3
123.04393	2.0
126.88165	0.3
127.03884	11.3
133.06503	1.2
133.10136	0.5
135.04387	1.3
137.05954	0.7
138.09149	0.5
139.03889	0.5
139.06581	0.3
139.07516	10.5
145.04936	10.7
145.06151	0.6
145.06532	0.4
147.04420	1.3
151.07512	0.6
159.07994	0.5
163.03880	1.6
163.05974	3.5
166.08603	1.2
175.35539	0.3
181.39915	0.4
187.07521	1.9
205.08595	1.3
229.08606	1.7
231.08740	0.4
247.09599	0.7
249.07542	1.4
249.09746	0.5
267.08667	2.2
271.99841	0.3
325.11536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.3
55.01852	2.6
57.03426	6.5
61.02918	10.5
69.03419	20.3
69.03801	0.7
71.04972	2.9
73.02912	3.8
81.03405	9.4
83.01311	0.5
85.02890	100.0
87.04456	2.6
91.03942	5.5
91.05443	2.1
92.09169	0.9
93.07018	2.2
95.04948	2.6
97.02872	27.3
99.04433	4.0
99.22448	0.5
103.03928	1.9
103.05456	1.2
105.03386	5.2
106.06552	3.8
107.04945	0.9
109.02856	7.7
110.06041	0.6
110.07147	2.2
115.03873	0.7
117.07037	1.0
119.04954	0.6
120.08122	0.7
121.02853	8.0
121.06483	47.7
127.03895	19.6
131.08577	3.0
134.06000	3.2
135.04401	0.9
137.06001	0.5
138.05470	13.1
139.03877	7.6
141.06976	0.7
145.03836	1.0
145.04948	26.8
145.06358	1.1
147.04396	3.3
147.08156	0.6
150.73048	0.5
151.07533	2.1
152.07153	0.6
157.06461	1.3
159.07999	6.1
163.03876	0.6
163.06017	8.6
166.04967	94.2
167.05396	1.1
167.06944	0.9
169.06393	1.0
171.08055	1.2
175.07567	2.8
175.96938	0.5
179.07039	2.3
183.08057	0.9
185.06000	0.9
187.07516	16.1
201.09195	0.9
205.08583	10.7
217.08620	2.1
229.08522	5.9
242.81017	0.6
247.09639	5.9
265.10648	6.2
283.07919	0.8
301.12784	2.6
325.11279	2.2
383.73233	0.6
480.18057	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	480.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.2
53.03936	1.7
54.82024	0.2
55.01859	0.3
55.05486	0.3
57.03423	0.5
57.99461	0.2
61.02894	0.4
67.05489	1.3
69.03412	3.0
69.07052	46.9
70.06578	4.6
71.04977	1.0
72.06942	0.2
73.02933	0.2
79.05466	0.5
81.03394	6.4
81.07045	1.0
83.04932	0.2
85.02889	3.3
85.06529	0.4
89.03922	0.3
91.05470	0.9
92.08758	1.0
93.07012	1.0
94.02773	0.2
95.04934	3.0
95.08593	0.4
97.02866	9.7
97.06501	3.4
99.04424	0.9
105.03351	1.2
105.07000	0.4
107.08590	0.5
109.02859	15.4
109.10125	0.4
112.07586	8.7
113.38036	0.2
116.04967	4.7
117.03382	0.3
119.08556	0.4
121.06437	0.3
121.10134	0.4
122.06021	0.4
123.04384	2.3
123.19354	0.2
127.03871	3.2
129.09106	0.2
133.10005	0.2
137.09537	0.3
140.07039	73.1
141.05443	1.4
145.04930	1.7
145.10043	0.3
147.11633	0.3
161.13196	0.3
163.03914	0.4
163.37433	0.2
167.03383	2.8
168.06519	100.0
173.09451	0.2
177.05420	2.6
178.05739	1.4
186.07565	8.7
240.08551	1.0
294.09604	5.2
312.10678	3.2
317.10236	1.8
318.10355	1.9
330.11642	1.7
337.97574	0.2
416.45325	0.2
491.23532	0.2
497.14462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
55.01857	1.7
55.05505	0.5
57.03432	4.3
59.04989	0.5
61.02908	3.1
65.03931	0.7
67.05474	0.7
69.03416	15.3
71.04977	2.5
73.02901	7.6
79.05469	7.1
81.03397	17.9
81.07036	1.1
83.01335	0.5
83.04972	0.6
85.02889	33.7
87.04449	0.8
91.03937	0.8
91.05455	2.3
92.08752	1.0
92.09330	0.9
93.07001	0.8
95.04955	8.1
97.02869	17.6
97.06513	0.4
99.04455	4.4
105.03373	100.0
105.07007	0.6
107.04936	0.6
107.08565	0.7
109.02859	7.8
109.06525	0.7
111.04417	0.7
113.05984	0.4
115.03905	0.9
119.04919	2.3
119.08580	0.6
120.08134	0.4
121.02840	46.5
121.06475	0.8
123.04414	14.4
125.05896	0.5
127.03891	11.2
130.15871	0.8
133.04930	2.7
135.04422	4.8
136.04738	1.9
139.03886	13.8
140.04654	9.3
145.04922	7.1
147.04404	7.1
148.04733	3.3
149.04950	0.8
153.05478	0.7
155.07025	10.7
161.05925	0.5
163.03926	0.6
163.05966	1.6
171.06485	0.5
179.06897	0.6
181.04913	12.6
181.08582	0.7
193.08571	0.5
209.08092	2.9
227.09131	6.0
231.06451	1.0
249.07497	12.2
249.09874	0.7
267.08551	19.6
283.08047	8.8
301.12790	10.9
410.45840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	1.8
53.56155	2.2
55.05502	29.4
57.03436	2.1
57.07070	100.0
57.10063	2.0
57.43282	1.8
60.58684	2.3
67.05488	11.5
68.95119	2.0
69.03409	5.1
69.07054	45.0
71.08247	3.3
71.08617	70.6
73.51724	2.0
79.05476	25.2
81.07043	48.7
82.85814	1.9
83.04958	11.7
83.08599	28.6
85.06523	2.4
85.10172	36.3
89.99612	2.2
92.09022	4.9
93.07022	33.9
95.08589	30.6
97.06508	3.8
97.10156	15.5
99.11740	3.1
101.05983	25.8
105.06971	2.7
107.08578	33.0
108.94271	2.3
109.06518	15.2
109.10157	20.3
111.08047	8.9
111.11691	2.7
111.62021	2.5
121.10133	20.3
123.11674	11.3
125.05972	3.5
127.07537	47.5
129.05472	44.4
135.11626	19.1
137.05948	3.2
137.13213	2.9
139.07475	3.6
139.11172	2.7
149.13249	16.5
153.12733	2.4
154.82346	2.1
163.14775	12.6
167.10626	3.5
177.16360	8.8
209.18958	2.9
213.15045	2.7
219.21065	2.8
233.22676	2.3
255.19028	2.5
289.28885	9.2
307.29874	2.8
317.28171	2.4
355.23560	2.5
448.54147	2.5
462.35938	2.6
492.05243	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3727
Annotation	Dendronesterol A
Peak:m/z	Relative Intensity
51.41693	3.1
54.81827	3.8
55.05494	5.7
57.07061	73.1
69.07040	18.6
71.04971	21.1
71.08614	48.6
81.07041	8.6
83.04945	4.7
83.08594	4.7
85.10161	27.2
89.06006	24.2
92.08856	20.2
93.07032	5.5
95.08594	8.7
99.04460	3.9
105.06991	5.8
107.08545	7.8
109.10098	4.6
109.54660	3.9
119.08535	5.6
121.06415	4.6
121.10109	5.1
123.08118	4.3
125.05965	82.3
130.88622	4.3
135.07950	4.2
137.05923	5.9
141.05414	7.3
145.10101	3.9
149.09547	6.5
151.07504	26.8
153.05434	100.0
153.09001	4.6
158.59671	4.2
163.07497	17.3
165.09059	9.5
177.09039	18.7
179.10744	7.0
181.08640	4.9
187.11162	3.9
265.18073	5.9
302.07468	4.7
317.59326	5.1
376.71472	4.2
419.35211	33.7
461.36572	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	479.373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23693	1.7
51.92112	1.6
53.00305	1.8
55.05506	31.7
57.07072	100.0
67.05482	14.2
67.06321	1.9
67.45937	1.9
69.07055	48.4
71.08247	3.4
71.08619	73.3
74.18242	1.8
77.28276	1.9
78.97918	1.8
79.05479	17.6
81.07037	42.2
83.04980	15.4
83.08607	29.0
85.06547	3.4
85.10173	38.4
91.12965	1.9
92.08808	6.1
92.09354	4.2
93.07021	41.4
95.08592	42.8
97.06522	12.9
97.10136	20.0
99.08059	3.8
99.11729	2.7
101.05999	43.0
105.06972	1.9
107.08579	41.7
109.06513	14.3
109.10159	18.3
111.08076	5.0
111.11703	8.4
115.07574	4.8
117.07037	1.9
119.08564	2.6
121.06508	2.6
121.10132	25.4
123.11681	4.9
125.05990	5.0
125.09582	2.5
127.07525	53.1
129.05461	45.0
135.11671	18.6
139.07529	4.7
139.11145	1.9
141.05359	2.5
142.54570	2.0
143.07047	3.8
147.11658	2.8
149.13252	21.5
153.12665	3.7
163.11212	2.4
163.14795	14.0
167.14349	3.1
177.12772	2.7
177.16360	9.1
191.17961	4.4
195.17529	3.2
219.21112	2.0
223.20543	2.5
251.23822	2.5
289.28867	3.5
289.61526	2.4
307.29895	7.6
310.46237	2.1
313.40405	2.0
335.29346	2.3
387.69028	2.4
392.33618	2.1
392.52106	2.1
433.36871	3.4
479.37433	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	479.3732
Annotation	Clathriol
Peak:m/z	Relative Intensity
52.61870	3.6
55.05496	24.8
57.07055	24.3
67.05482	20.7
67.30682	3.9
69.07053	46.7
71.08607	22.8
75.03337	4.0
79.05458	11.0
80.50380	3.7
81.07037	43.4
83.08591	31.7
85.10156	7.0
87.52894	4.0
91.05431	5.2
92.09147	9.3
93.07013	24.5
95.04955	6.0
95.08602	45.5
97.10146	18.6
105.06993	27.0
107.04958	9.5
107.08578	19.6
109.06445	7.5
109.10142	18.2
111.11732	5.9
119.08540	16.6
121.06489	7.0
121.10107	23.3
125.05952	24.3
131.08534	4.9
133.10104	18.1
135.07979	4.7
135.11703	6.9
137.05971	6.9
143.08539	10.8
145.10124	10.3
147.07980	5.7
147.11707	18.4
149.13242	5.7
151.07515	5.4
155.07014	5.2
157.10048	8.9
159.11690	6.0
161.09569	4.7
161.13171	7.2
183.11681	5.9
206.81877	4.9
343.29614	6.3
425.33841	30.5
443.35159	100.0
461.36017	21.6
479.34320	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	479.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20453	3.8
54.81963	5.0
55.05508	44.1
57.07064	30.2
57.63953	4.1
64.73498	3.9
67.05480	28.9
69.07052	65.6
70.07413	4.1
71.04977	25.8
71.08605	8.9
79.05460	5.1
81.07034	75.8
83.08608	28.8
89.73262	4.7
92.08807	13.1
92.09301	5.3
93.07027	19.2
95.08595	68.5
97.10143	20.9
99.04445	9.2
105.06982	6.8
107.08540	7.7
109.06512	10.9
109.10133	35.6
111.11713	9.6
115.31607	4.4
119.08582	5.7
121.10140	17.6
123.11690	25.4
125.05970	88.4
127.03886	24.8
137.05962	100.0
137.13222	8.1
145.10078	4.9
147.11700	5.2
151.07469	7.1
167.06978	25.7
171.11604	5.2
177.12831	5.9
189.12749	5.1
198.10542	7.6
205.30481	4.8
225.04257	6.4
272.27335	5.3
392.15659	5.1
461.36340	4.9
479.35043	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.5
53.03932	1.5
55.01860	8.8
55.05509	42.5
57.07067	23.6
65.03921	1.1
67.05496	24.9
69.07055	73.2
71.04973	26.5
71.08617	12.8
74.98463	1.2
78.71533	1.0
79.05463	10.9
81.07039	82.5
83.04973	2.5
83.08605	38.6
85.06532	2.2
85.10169	2.0
91.05459	2.1
92.09064	2.6
93.07027	14.0
95.04925	1.3
95.08590	62.3
95.09196	2.3
97.10147	26.5
98.79349	1.2
99.04443	16.0
99.08048	1.9
105.06986	6.2
107.04922	4.3
107.08566	12.5
109.06498	15.5
109.10148	33.3
111.04419	2.1
111.08097	2.4
111.11710	16.5
112.66981	1.2
119.08533	5.4
121.10133	10.4
123.08064	2.1
123.11664	19.5
125.05973	100.0
125.13235	4.3
127.03894	38.5
131.08578	2.0
133.10112	4.6
135.08011	1.5
135.11684	5.9
137.05957	98.8
137.13223	8.5
139.07518	4.5
139.14793	1.5
142.07765	1.1
143.08580	2.3
145.04910	1.2
145.10130	4.7
147.11676	2.0
149.05968	5.6
149.09592	2.0
149.13248	4.5
151.07536	6.4
151.14803	2.7
155.08598	1.4
156.09320	1.9
157.10118	5.9
159.11658	5.3
161.09613	1.9
161.13239	7.3
163.14784	4.9
165.16318	2.0
167.06998	35.4
169.10178	1.3
171.11693	4.5
173.09547	2.2
175.11163	5.5
177.09177	2.0
177.12679	2.3
179.06984	1.5
179.17918	1.7
183.11615	1.5
185.13225	4.2
187.11174	1.5
189.12715	4.6
191.10713	2.2
193.12219	1.2
198.10381	5.2
201.12744	2.1
203.14340	1.5
207.13896	2.2
213.12704	5.8
219.13724	2.4
225.03824	1.3
243.17320	1.1
245.18895	1.1
316.69940	1.3
317.31958	5.0
319.26639	1.3
335.32959	6.1
383.33044	2.4
397.34692	1.7
401.33957	2.6
415.35474	1.5
425.34006	5.8
443.35306	6.5
461.36188	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	479.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.7
55.01852	7.7
55.05503	37.8
57.07064	22.6
59.83621	1.5
67.05494	23.7
67.75398	1.5
69.07053	68.1
71.04979	25.1
71.08600	10.9
77.99779	1.8
78.08820	1.7
79.05467	10.3
81.07037	89.5
83.04965	2.3
83.08603	41.3
83.88011	1.7
85.10177	4.4
91.05470	3.0
92.08847	7.9
92.09341	1.9
93.07021	15.0
95.08582	66.2
97.10143	25.5
99.04436	15.9
105.06992	3.0
107.04939	2.3
107.08549	13.8
109.06515	17.5
109.07159	2.0
109.10127	41.1
109.10841	1.9
111.04385	3.0
111.08056	2.9
111.11709	16.1
119.08574	7.1
121.10122	9.0
123.11668	18.8
125.05962	100.0
127.03870	30.3
131.08504	2.5
132.17860	1.7
133.10077	3.2
135.11639	4.0
137.05952	98.2
137.13206	7.3
139.07516	2.0
143.08572	2.4
145.10120	2.1
147.11598	3.0
149.05997	2.5
149.13249	2.6
151.07457	2.5
151.14793	4.2
157.10083	2.9
159.11678	9.7
161.09587	2.1
161.13202	3.1
163.11201	1.9
165.09038	2.1
165.16319	3.9
167.06987	31.4
171.11607	6.8
175.11119	6.6
177.12662	2.3
183.11649	3.1
187.11133	2.1
189.12817	3.2
198.10393	4.1
203.14268	2.6
213.12698	4.2
219.13785	2.4
241.33723	2.0
317.31882	7.3
335.33057	12.1
341.58865	1.7
383.33252	2.3
397.34698	3.3
419.34973	1.9
425.33939	6.2
443.34882	3.8
461.36176	11.6
479.35037	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	479.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.4
52.58723	0.3
53.03938	4.3
55.01863	0.7
55.05504	5.6
55.48391	0.3
57.03409	0.5
57.07058	1.3
58.46236	0.3
59.05048	0.3
60.92364	0.3
61.02910	0.4
63.64876	0.3
66.51693	0.3
67.05482	2.2
69.03416	7.9
69.07050	13.1
71.04987	2.4
73.69172	0.3
74.95227	0.3
77.03940	0.4
79.05055	0.6
79.05476	11.5
81.03394	10.6
81.07036	10.2
83.04977	0.6
83.08598	5.5
85.02419	0.7
85.02888	11.9
85.06516	1.9
91.05428	1.8
92.08777	0.7
92.09277	0.7
93.07017	10.3
95.04947	6.8
95.08578	18.3
97.02863	4.2
97.10146	4.5
99.04431	2.4
99.08065	6.9
105.03369	100.0
105.07017	2.3
107.08572	25.4
109.02855	6.3
109.10136	5.5
111.08062	4.2
112.27471	0.3
113.09634	0.5
119.08533	1.5
121.10116	36.8
121.77728	0.4
123.04398	14.8
123.11644	1.4
125.09588	4.0
127.03889	5.0
135.11684	7.7
137.13231	4.1
139.11182	0.8
145.04939	1.7
149.13232	2.6
165.09074	1.4
177.16344	39.1
188.54112	0.4
195.17403	7.4
213.18448	9.4
231.06383	0.4
240.59894	0.4
249.07512	8.5
267.08563	18.2
361.73746	0.4
457.89612	0.3
479.25558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.5
53.03941	3.3
55.01858	0.9
55.05500	8.0
57.03421	0.8
57.07060	1.5
61.02910	0.3
67.05486	3.5
69.03410	8.1
69.07054	14.3
71.04977	3.3
71.12161	0.3
73.02912	0.4
77.03865	0.6
79.05470	12.5
81.03397	10.0
81.07033	14.2
81.76440	0.4
83.04961	0.4
83.08607	7.7
85.02888	15.6
85.06525	2.3
91.05431	3.4
92.08971	1.5
92.90159	0.3
93.06477	0.7
93.07021	11.7
95.04948	5.3
95.08581	25.9
97.02856	5.0
97.10123	5.2
99.04414	0.8
99.08073	12.7
105.03371	100.0
105.06995	3.7
107.08575	31.1
109.02850	5.2
109.06498	0.7
109.10133	7.9
111.08060	5.6
111.11675	0.8
113.09611	0.8
116.07053	0.4
117.07008	0.5
119.08551	2.1
121.10118	48.4
123.04401	16.4
123.08034	0.8
123.11706	0.8
125.09631	5.5
127.03875	4.7
133.10107	0.6
135.11665	10.4
137.13211	5.8
139.11133	0.8
145.04865	0.6
149.13239	3.7
177.16344	52.1
195.17413	8.2
213.18459	14.3
231.06555	0.5
249.07536	7.5
267.08557	19.0
271.21295	0.4
402.08203	0.4
478.28928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	0.8
53.03935	3.7
55.01856	2.7
55.05501	1.2
57.03427	5.5
61.02916	9.7
66.84280	0.7
67.05486	1.0
69.03069	1.3
69.03416	27.7
69.07041	1.6
71.04971	2.9
72.08135	1.7
73.02901	4.8
76.04796	0.6
76.56400	0.8
79.05479	1.6
81.03397	10.0
81.07050	1.8
83.04954	0.8
83.08595	1.0
85.02890	36.6
85.06552	0.9
86.09682	1.3
87.04451	4.1
91.03949	0.8
91.05482	1.8
93.07001	3.9
95.04970	1.2
95.08579	4.0
97.02869	18.7
99.04424	3.9
105.03356	1.1
107.04942	1.0
107.08578	4.4
109.02881	6.5
109.10144	3.4
115.03954	1.3
119.04886	0.8
119.08576	1.7
120.08076	1.7
121.10114	4.1
122.10401	1.2
123.86755	0.7
124.66113	0.7
127.03909	6.2
133.10098	1.2
134.38963	0.7
135.11607	0.9
145.04961	1.7
147.04373	1.5
153.07030	0.8
164.06880	0.9
175.11154	0.8
177.16356	4.5
182.08411	1.5
189.05540	0.8
189.07687	0.8
197.10727	6.3
198.09126	0.9
205.00531	0.8
210.07855	4.9
215.06972	3.1
216.07269	1.3
224.49928	1.0
225.10240	17.1
240.08847	1.8
253.09653	10.6
255.11276	4.6
257.09161	3.3
268.08447	1.3
271.10699	13.4
281.09314	3.0
299.10208	78.7
317.11261	100.0
318.11609	1.0
340.70883	0.9
479.16534	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	479.1181
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03931	1.7
53.93108	0.2
54.02811	0.2
55.01855	1.1
55.05509	0.3
57.03427	2.4
61.02916	3.2
65.03917	0.4
67.05489	0.3
68.99818	0.2
69.03073	0.3
69.03419	7.0
69.07063	0.3
71.04977	1.1
73.02901	0.6
74.84579	0.2
79.05460	1.1
81.03403	5.0
81.07021	1.1
83.01305	0.3
83.04967	0.4
83.08609	0.3
85.02894	16.3
87.04437	0.4
91.03927	0.6
91.05470	1.1
92.02595	1.6
92.08749	0.4
92.09209	0.5
93.03388	1.7
93.07019	1.3
95.04936	0.5
95.08570	0.5
97.02880	5.9
97.06497	0.2
99.04435	1.0
105.03383	6.1
105.07014	0.5
107.04919	0.4
107.08576	1.0
109.02853	2.0
109.06506	0.4
111.04379	0.4
111.08102	0.3
113.35020	0.3
115.99795	0.2
119.08562	0.3
121.02847	2.2
121.06485	0.3
121.10112	0.6
123.08024	0.4
125.05955	1.5
125.09607	0.3
125.23039	0.3
126.03131	0.5
127.03899	2.5
131.08522	0.4
133.10106	0.6
135.04378	0.4
136.14153	0.3
137.02322	0.4
137.05991	0.3
138.09146	0.3
139.03860	1.4
145.04944	1.3
149.05904	0.4
151.03909	3.1
153.01813	13.1
153.11255	0.3
165.01781	0.5
165.05351	0.4
167.07062	0.5
177.05394	1.1
183.02870	0.4
196.69040	0.3
201.05461	1.5
203.03392	0.6
213.07545	1.3
217.04897	1.1
218.05748	1.2
228.04181	2.3
229.04927	6.5
231.02861	0.5
245.04353	1.8
246.05165	3.7
249.07645	0.5
256.03781	0.3
257.04431	4.8
258.04721	0.3
260.03189	0.9
273.03931	3.3
274.04666	7.4
284.03174	0.4
285.03867	7.3
288.25137	0.3
302.04150	19.2
317.06506	100.0
318.06888	1.2
330.53378	0.3
387.18491	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34052	1.0
53.12848	1.1
59.47786	1.4
64.33140	1.7
68.43462	1.0
69.83204	1.2
70.74358	1.2
71.01971	1.4
75.00301	1.3
92.08679	1.6
92.09187	2.5
94.92989	13.9
111.38358	1.5
136.94000	92.5
148.94014	26.8
163.01105	1.4
166.95070	22.9
178.95079	1.4
196.96130	7.7
215.55508	1.6
239.85191	1.6
256.98166	13.7
296.56552	1.7
298.99326	2.2
381.07837	100.0
419.03464	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	478.2925
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
53.00297	0.2
55.01849	0.5
55.05501	7.6
57.07054	1.1
59.92937	0.2
62.06071	0.9
67.05490	9.1
67.65033	0.2
68.50964	0.2
69.06670	0.2
69.07050	8.1
79.05477	2.4
81.07037	8.6
82.06551	0.3
83.08593	2.7
84.08105	0.2
85.05267	2.2
86.06052	1.4
91.05472	1.2
92.09104	1.0
93.07030	1.9
95.08583	5.6
96.08100	0.5
97.06535	0.3
97.10149	0.8
98.06030	14.3
99.06844	0.4
105.07009	1.1
107.08574	1.3
109.06564	0.3
109.10148	2.0
110.09638	0.4
112.07592	2.1
119.08540	0.9
121.10125	1.0
123.11694	0.3
124.07588	0.2
124.11184	0.3
126.09141	0.3
130.31816	0.2
131.08534	0.3
133.10077	0.5
139.70503	0.2
140.10713	1.0
145.10110	0.3
147.11612	0.2
152.10623	0.2
154.12215	1.1
168.13748	0.5
171.74326	0.2
182.15305	0.3
194.15439	0.2
196.16951	1.0
208.16925	0.9
210.18405	0.3
222.18513	0.5
236.20119	0.3
306.27847	100.0
307.28159	0.9
324.28879	0.4
477.28235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2927
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.35711	0.7
53.03941	0.7
55.05503	17.6
57.03180	0.7
57.03415	6.1
57.07064	3.0
62.06079	28.7
65.03931	1.7
67.05491	46.5
69.07053	22.3
79.05466	10.5
81.07040	46.2
83.04974	1.1
83.08620	8.1
85.06550	0.9
91.05452	8.6
91.53185	0.7
92.08873	3.6
93.07015	14.2
94.99628	0.7
95.04922	0.9
95.08583	31.2
95.23318	0.7
97.06530	0.9
97.10125	5.1
98.06023	1.6
98.98455	13.9
105.07001	6.4
107.08581	9.2
109.10136	11.7
111.08090	0.9
119.08577	5.0
120.20108	0.7
121.10120	5.3
123.11678	5.1
124.01532	1.7
131.08585	1.1
133.10130	5.6
135.11673	4.7
137.13272	1.2
147.11710	1.3
149.13174	1.0
155.01018	6.7
161.13205	1.5
163.14885	0.8
173.02116	1.0
198.05212	1.2
216.06395	1.9
245.22566	1.0
263.23685	4.6
306.27890	12.2
337.27301	100.0
338.27560	1.3
341.76242	0.8
417.24036	1.3
432.33749	0.9
460.22092	0.9
460.28122	9.4
464.86893	0.9
478.29013	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	478.2923
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.00289	1.1
53.03925	0.5
55.01851	1.0
55.05502	23.1
57.03425	13.9
57.07069	3.3
57.32067	0.3
57.75583	0.3
62.06052	0.3
65.03918	1.2
67.05487	44.2
69.07048	26.8
69.07378	0.4
69.07447	0.4
71.04961	1.3
71.08593	1.2
77.04131	0.2
79.05473	12.4
79.43766	0.2
81.07033	44.1
83.04960	1.4
83.08595	11.8
83.57541	0.3
85.06530	0.7
91.05445	6.8
92.09132	0.4
93.07018	12.6
95.04955	1.1
95.08578	31.7
97.06521	3.1
97.10141	5.6
98.06008	0.4
98.98447	1.1
99.08092	0.6
105.07001	5.9
107.08567	6.9
109.06498	1.2
109.10133	12.3
111.08065	1.1
111.11677	0.7
117.07013	0.3
119.08547	5.3
121.10118	4.2
123.08046	0.4
123.11668	4.6
124.01559	0.5
125.09583	0.6
125.93418	0.3
130.03209	0.3
131.36414	0.3
133.10095	3.5
135.11674	2.4
137.09561	0.3
137.13206	1.7
145.10136	0.3
147.11661	2.7
149.13234	1.4
151.14786	0.4
153.12596	0.4
161.13203	1.4
163.14748	0.6
175.14784	0.5
177.16344	0.3
210.19450	0.3
216.06287	0.5
245.22659	0.3
263.23639	0.6
290.64117	0.3
306.27789	2.1
337.27280	100.0
338.27487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.9
53.03924	3.0
53.94469	0.4
55.05502	10.0
57.03432	4.4
57.06808	0.6
57.07065	9.0
59.73596	0.4
61.02889	0.7
61.26971	0.4
65.03923	1.2
67.05481	2.5
68.29517	0.4
69.03417	11.6
69.07054	41.1
71.09729	0.5
71.28745	0.4
74.20187	0.5
79.05472	25.8
81.03390	2.5
81.07035	9.0
81.90717	0.5
83.08601	3.0
85.02900	9.0
85.06509	2.6
87.04453	6.9
91.05458	24.4
92.08837	2.2
92.09318	0.5
93.07022	70.3
95.04947	7.0
95.08587	5.5
97.02859	8.1
97.06485	0.8
99.04387	0.9
103.05476	0.7
103.57416	0.5
105.03389	4.9
105.04488	1.1
105.05946	0.6
105.07011	23.4
107.04967	0.9
107.08575	100.0
108.09423	4.0
109.02894	0.6
109.06518	6.1
109.10129	0.6
115.03914	12.5
119.06036	2.3
119.08553	5.6
119.44698	0.6
121.06491	0.6
121.10120	62.9
123.08044	3.1
127.03889	0.7
127.71674	0.5
131.04897	2.0
131.08534	0.8
133.04932	9.7
133.07599	0.7
133.10127	1.2
133.92435	0.5
134.10934	0.6
135.11699	2.1
137.05934	0.5
137.09589	0.6
145.05005	0.6
149.13235	67.8
163.03902	2.6
165.09088	0.6
215.07108	0.6
259.08038	0.7
281.17657	0.6
295.10263	1.0
448.21185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	2.3
53.03936	4.8
54.50654	0.8
55.01860	4.5
55.05309	0.9
55.05505	17.6
57.03429	32.1
57.07043	1.8
59.04979	5.6
60.04504	1.4
61.02905	5.9
67.05492	25.1
69.03413	89.9
69.07050	34.5
71.08633	1.2
72.08128	10.1
73.02891	5.7
73.08445	1.1
75.04465	5.6
79.05473	54.6
81.03397	12.2
81.07035	44.9
83.04950	2.8
83.08601	5.9
85.02888	68.2
85.06523	1.8
86.86175	1.1
87.03930	2.6
87.04450	49.6
91.03940	2.8
91.05457	36.2
92.08813	7.1
93.07022	100.0
94.07320	1.2
95.04942	14.9
95.08569	22.7
97.02865	61.2
97.10142	1.7
99.04436	4.7
103.03910	1.3
103.05411	1.4
105.03374	27.2
105.04488	4.5
105.07021	23.1
106.03720	1.5
107.04940	2.8
107.08571	79.8
109.02862	6.2
109.06509	7.0
109.10149	11.0
111.04424	1.3
111.11736	1.2
112.42502	1.2
115.03910	53.1
117.06982	2.9
119.05044	1.3
119.08561	15.1
119.89545	1.3
121.10116	33.5
123.04404	4.1
123.08060	2.9
123.11700	4.6
125.09613	1.6
127.03909	10.7
129.07001	2.0
129.56543	1.1
131.08557	4.9
133.04942	46.8
133.10126	7.3
135.08060	1.7
135.11661	6.0
137.09627	1.5
143.08553	2.8
145.02824	1.3
145.04947	6.5
145.10109	6.0
147.07996	1.7
147.11656	12.2
149.09680	1.7
149.13234	64.8
150.07552	11.2
155.06044	5.4
159.11635	5.3
161.13229	4.7
165.09151	2.6
167.14218	1.2
169.04979	1.3
169.07549	10.6
171.11624	4.8
173.13174	1.5
177.05431	2.1
179.05925	2.0
183.05486	5.8
185.07072	2.6
189.12747	1.5
191.14326	2.4
193.07581	1.7
195.05519	6.9
195.17276	1.4
196.06306	5.6
197.07074	7.1
207.03398	1.2
207.05414	1.9
207.13831	2.3
213.06586	6.2
221.07051	4.9
225.06567	7.9
229.06032	5.2
238.07448	1.6
239.08163	6.8
241.07063	1.3
243.07477	1.4
244.31033	1.2
245.15430	1.5
249.07463	2.5
257.05386	1.5
267.07843	5.9
267.15717	1.3
271.07010	6.3
277.06097	1.8
277.08990	1.6
281.17459	29.3
285.08643	7.4
295.07132	5.7
313.08026	5.0
418.13907	6.5
432.15665	1.5
460.14798	2.4
478.16095	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	478.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
54.81966	0.6
55.01861	4.6
55.05504	16.0
55.31696	0.6
55.58875	0.6
56.12395	0.6
57.00190	0.5
57.03425	4.5
57.07065	3.5
60.46644	0.6
61.02916	3.0
67.05494	10.2
69.03063	1.1
69.03418	19.4
69.07056	24.8
70.06577	3.0
70.98132	0.6
71.04975	7.6
71.08595	0.8
73.02890	3.1
79.05481	11.1
81.03396	16.7
81.06591	1.4
81.07039	26.8
83.04963	3.0
83.08597	13.2
85.02891	40.9
85.06535	6.5
87.00819	16.8
89.06059	0.9
91.03901	1.3
91.05459	12.3
92.09078	2.2
93.07027	34.4
94.06522	1.3
95.04945	4.2
95.08584	49.2
96.08103	0.9
96.08945	0.7
97.02871	15.7
97.06537	1.5
97.10146	8.1
99.04427	7.7
99.08058	10.7
105.01841	15.3
105.03382	6.6
105.07018	11.6
107.04917	1.0
107.08578	60.1
108.08118	1.4
109.02868	12.2
109.06522	3.3
109.10147	15.6
111.04469	1.1
111.08050	8.3
115.03888	0.8
117.01856	0.9
117.06958	0.9
119.04911	16.4
119.08552	9.7
120.08117	0.7
120.08871	0.7
121.06452	0.9
121.10122	96.8
123.04412	0.8
123.08032	3.5
123.11687	2.8
125.05958	0.8
125.09609	7.3
127.03888	22.5
129.01868	1.0
129.06963	1.2
131.08591	2.4
133.06522	1.2
133.10133	4.9
135.04404	1.1
135.11658	18.2
137.09570	1.7
137.13232	8.1
139.07520	1.0
139.11179	1.0
145.04926	6.8
145.10071	1.5
147.04391	73.0
147.11671	1.1
149.09596	4.1
149.13246	8.7
151.07574	0.9
151.11180	1.6
157.10086	1.3
159.02864	4.8
159.04283	1.4
159.11702	1.3
161.09619	2.9
163.03889	3.1
163.11096	1.2
165.05441	1.3
167.07086	1.3
167.10654	0.9
171.11555	0.7
175.14790	3.0
177.05415	1.3
177.16351	100.0
185.13199	0.7
194.06424	0.7
195.17390	19.1
197.05928	1.3
212.14844	1.0
213.18462	13.8
215.07057	5.8
220.16914	6.9
221.17339	3.4
222.18568	2.8
223.07706	1.1
223.18925	0.9
231.04994	3.0
238.17999	17.3
239.18332	4.5
240.19547	10.3
241.19954	3.6
245.15257	1.5
263.16379	1.2
269.08124	2.5
281.17496	3.4
286.10699	1.6
291.08444	1.1
309.09610	1.5
317.06470	3.5
317.11276	1.5
477.36862	13.2
478.37286	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	478.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
53.74273	0.4
55.01859	1.7
55.05501	0.5
55.11247	0.5
57.03420	1.8
61.02906	0.3
67.05482	0.5
68.99789	0.5
69.03415	5.4
70.06581	0.4
71.04984	0.5
73.02916	0.5
79.05474	3.6
79.62806	0.4
81.03397	5.1
81.07012	1.0
84.08154	0.5
85.02888	10.1
87.00806	3.1
91.05471	5.6
92.08816	1.3
93.07018	0.7
95.04922	3.5
95.08550	0.6
97.02861	4.2
99.04417	2.3
103.05448	3.7
105.01833	1.6
105.03368	8.1
105.07019	4.9
107.04940	42.5
107.08575	2.5
108.04422	0.7
109.02864	2.8
109.06480	0.6
115.05422	2.3
117.06998	2.1
119.04929	5.2
119.08513	0.6
120.05691	0.6
121.02842	1.0
121.06485	0.9
123.04388	0.7
124.05121	0.5
125.05968	0.7
127.03879	4.8
129.07050	0.4
131.04874	0.8
133.10123	1.8
135.08029	15.6
137.05946	1.6
139.48718	0.4
145.02846	0.9
145.04913	1.5
145.07599	0.6
147.04388	5.9
147.11674	0.6
149.05838	0.5
154.06218	2.7
159.02896	1.5
163.07503	23.3
167.06996	20.4
175.03874	8.1
175.10957	0.5
177.05452	1.3
180.07771	3.9
183.08612	0.5
192.04077	1.6
195.10129	100.0
196.10451	0.9
207.06505	13.3
217.23022	0.4
225.07497	2.0
249.07440	0.8
270.95053	0.4
281.10229	0.6
281.17151	0.5
299.11020	1.4
310.14813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03726	0.2
53.03944	3.6
53.24260	0.2
55.01875	0.2
57.03435	1.1
61.02936	0.7
63.20920	0.2
67.05487	0.2
69.03416	7.7
70.30511	0.2
70.41069	0.2
71.04987	0.4
72.56548	0.2
73.02904	0.4
77.03907	0.2
77.47164	0.2
79.05006	0.2
79.05472	7.0
81.03400	13.2
81.07041	0.3
85.02892	10.1
91.05465	0.2
93.07008	0.2
93.56403	0.2
95.04944	5.2
97.02867	6.4
99.04444	2.5
105.03375	100.0
106.03707	0.4
107.08599	0.4
109.02863	8.4
119.08569	3.1
119.94811	0.2
123.04410	11.1
123.50488	0.2
124.23965	0.2
127.03888	5.9
138.95807	0.2
141.05342	0.2
145.04974	1.4
231.06453	0.9
249.07535	18.2
267.08588	18.7
279.06586	0.3
280.63425	0.2
341.48508	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
57.03424	0.2
62.17817	0.1
63.02372	0.2
69.03423	1.2
70.06552	0.2
71.04990	0.2
73.02903	0.2
76.27099	0.1
80.09306	0.1
81.03396	3.4
82.94470	0.1
85.02885	1.5
89.03355	0.3
89.03889	3.9
91.05449	0.3
92.08662	0.3
92.09176	0.4
95.04955	0.2
97.02874	0.3
99.04438	0.7
105.03409	0.2
109.02862	1.3
117.03355	20.2
119.04916	0.3
127.03874	0.3
134.03561	1.3
135.04393	1.6
145.02824	69.9
146.03130	0.3
147.04376	0.2
149.05962	9.0
163.03886	0.6
177.05429	100.0
178.05736	0.7
195.06468	0.9
271.09518	0.2
299.10861	0.2
321.09595	2.9
339.10663	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	478.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.1
53.03721	0.2
53.03939	4.1
54.82098	0.2
55.01840	0.2
57.03414	1.0
61.02903	0.4
65.03380	0.1
69.03413	6.9
70.98647	0.2
71.04964	0.9
73.02902	0.3
77.03904	0.2
79.05472	4.4
81.03398	14.9
81.07043	0.3
83.04961	0.3
85.02885	8.8
90.85135	0.1
92.09011	0.4
92.68221	0.2
95.04947	4.6
97.02862	8.5
99.04430	2.4
105.03368	100.0
106.03716	0.4
107.08566	0.2
108.04459	0.2
109.02850	8.0
112.96629	0.2
119.04842	0.2
119.08563	0.2
120.08070	0.4
121.10071	0.2
123.04396	10.1
123.05290	0.4
123.08086	0.2
127.03886	5.8
130.06505	0.3
133.05219	1.2
144.14090	0.2
145.04913	1.5
148.07545	6.5
148.08658	0.3
152.07027	0.3
161.05916	0.2
164.07016	6.6
166.08572	0.8
176.07053	0.9
194.08081	3.9
212.09149	1.7
231.06552	0.9
232.44684	0.2
249.07515	18.3
267.08560	19.0
279.06570	0.3
287.10110	0.2
478.17017	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.2
51.84301	0.1
53.00322	0.1
53.03717	0.3
53.03939	4.4
55.01859	0.8
55.05497	1.5
57.03421	1.2
59.05002	0.2
59.07463	0.1
61.02903	0.2
67.05489	0.9
68.05830	0.2
69.03412	7.5
69.07066	1.4
71.04974	1.3
72.08145	3.4
73.02904	0.3
76.56718	0.2
77.03897	0.3
79.05470	5.0
81.03398	15.3
81.07028	1.6
83.04954	0.2
83.08600	0.7
84.08130	0.4
84.87263	0.2
85.02885	7.9
85.06513	0.4
89.03883	0.4
91.05447	0.9
93.07032	1.4
95.04942	5.7
95.08569	1.4
97.02866	9.4
97.06495	0.3
99.00911	0.2
99.04428	2.1
99.08060	0.2
104.22709	0.2
105.03371	100.0
105.07003	0.7
106.03693	0.3
107.04945	0.3
107.08566	1.1
108.04468	1.2
109.02861	9.3
109.03613	0.3
109.06506	0.3
109.10136	0.9
111.11711	0.7
117.03355	1.5
119.08573	0.7
121.10129	0.7
123.04400	8.8
123.05283	0.3
127.03881	6.4
133.10104	0.4
134.03691	0.2
135.08089	0.2
135.11673	0.3
136.07562	0.2
137.05969	0.3
137.13260	0.2
145.02826	4.7
145.04872	1.4
145.10068	0.4
147.04384	0.3
147.11652	0.3
149.05963	1.0
149.09584	0.2
156.39693	0.2
157.10127	0.2
159.11629	0.2
163.03874	0.8
166.72472	0.2
177.05429	5.6
177.16367	0.7
179.07094	0.3
195.06456	0.3
195.17436	0.7
202.12186	1.6
203.10628	1.5
231.06487	0.3
245.11758	0.3
249.07516	16.7
262.14346	0.4
267.08566	10.1
271.26257	0.2
283.16501	0.3
325.33725	0.2
451.10590	0.2
478.25543	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.1
50.75827	0.1
51.02370	0.1
53.03938	3.3
54.82014	0.1
55.01864	0.9
55.05489	0.5
57.03430	1.4
61.02901	0.3
65.92027	0.1
67.05499	0.5
69.03412	7.4
69.07048	1.4
71.04977	1.2
73.02887	0.4
77.03906	0.7
79.05469	5.7
80.04996	0.1
81.03394	16.9
81.07024	0.8
83.08598	0.2
85.02888	7.2
87.04446	0.3
89.03922	0.3
91.05431	0.8
92.09004	1.1
93.07019	2.1
95.04945	6.9
95.08587	0.6
97.02866	9.8
97.06506	1.4
99.04425	2.1
105.03369	100.0
105.06994	0.6
106.03695	0.5
107.04913	0.2
107.08571	1.9
108.04487	1.1
109.02853	7.8
109.06486	0.2
109.10158	0.1
111.08051	0.1
117.03354	1.5
119.08536	0.3
121.06490	0.2
121.10139	1.7
123.04400	9.0
124.07589	0.1
125.09602	0.1
127.03888	5.4
131.04851	0.2
131.08540	0.2
133.04997	0.2
133.10091	0.2
134.03673	0.1
141.40344	0.1
144.47278	0.1
145.02820	3.7
145.04941	1.3
145.06424	0.1
149.05971	0.7
149.13240	1.1
161.02278	0.3
163.03900	1.3
165.09116	0.2
173.02307	1.0
177.05435	4.4
195.06509	0.5
215.06929	1.7
231.06531	0.5
249.07512	15.9
250.07799	0.1
259.09625	1.7
267.08566	12.9
286.10754	1.4
385.23648	0.2
433.26022	0.1
459.27255	0.2
477.28555	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49091	0.3
51.02374	0.5
53.03940	4.6
55.01860	3.5
55.05505	7.5
57.03436	4.4
61.02905	0.7
65.03922	0.6
67.05491	9.8
68.05840	0.4
69.03422	4.4
69.06673	0.4
69.07049	8.4
70.15520	0.3
70.47125	0.3
71.04970	2.2
73.02898	1.2
75.19040	0.3
77.03917	0.5
79.05475	20.9
80.05799	0.5
80.57507	0.3
81.03397	11.5
81.07040	9.5
81.07491	0.3
82.03728	0.5
82.07370	0.5
83.04971	3.9
83.08587	2.8
85.02884	5.5
85.06523	1.6
87.04469	0.4
89.03895	0.6
91.05457	9.3
92.05785	0.4
93.07021	12.8
95.04951	13.3
95.08586	6.5
97.02873	14.9
97.06509	12.7
97.10152	2.7
99.04429	2.3
99.08069	3.2
105.03374	100.0
105.07008	7.8
106.03692	1.4
106.07362	0.4
107.04946	4.2
107.08572	9.1
108.08929	0.4
109.02856	6.4
109.06487	1.8
109.10126	3.6
111.04428	0.5
111.08073	0.7
115.05394	0.5
117.03356	0.6
117.07004	2.0
117.18611	0.3
117.70000	0.3
119.08560	5.5
120.08856	0.5
121.06451	2.5
121.10121	4.0
123.04388	5.3
123.08032	1.3
123.11708	1.3
124.07566	0.4
125.09602	1.9
127.03893	7.8
128.06226	0.3
129.06970	3.5
131.04919	0.5
131.08539	2.8
133.02838	0.7
133.06491	0.6
133.10114	4.0
134.10446	1.2
135.04399	2.1
135.08052	1.4
135.11655	2.6
137.09657	2.2
138.09079	0.4
141.07033	0.4
142.07729	0.5
143.08513	2.8
145.02844	2.1
145.04936	0.5
145.06458	1.5
145.10112	1.8
147.04404	0.4
147.08043	0.4
147.11667	5.4
149.09608	0.7
149.13260	2.3
153.09113	0.4
155.08585	0.4
157.10130	0.5
159.04402	1.3
159.08052	0.5
159.11636	0.7
161.02330	3.6
161.09595	0.4
161.13228	1.8
163.03865	9.2
164.04225	0.6
164.69507	0.3
165.09047	0.7
169.10115	0.4
171.11708	2.8
173.02298	15.4
173.09567	0.6
176.15154	0.4
177.05400	0.5
183.11617	0.4
187.04053	0.4
187.05975	1.2
189.12704	0.8
193.12227	1.6
193.15750	0.4
207.13773	1.5
211.16949	0.6
212.12605	0.4
215.06999	15.1
227.12608	0.5
233.15355	0.5
249.07510	13.4
257.15402	0.4
259.09601	18.6
267.08612	0.4
267.15787	2.7
268.16183	0.6
281.17413	17.4
286.10675	10.5
291.08646	0.4
309.09552	2.5
315.08643	0.7
341.20938	0.5
385.23660	1.4
386.23999	1.5
433.25821	2.1
434.26044	1.4
443.22644	0.4
455.41702	0.4
459.27203	3.6
460.27481	1.5
477.20572	0.7
477.27927	0.5
478.21521	0.6
478.28650	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.2
53.03940	5.1
55.01854	0.4
55.05497	0.4
56.94004	0.2
57.03422	0.9
59.06108	0.4
67.05503	0.5
69.03416	6.6
69.07059	0.4
70.61230	0.2
71.04980	1.0
73.02877	0.3
77.03923	0.4
79.05473	5.6
81.03400	17.8
81.07037	0.5
83.04950	0.3
85.02895	6.3
85.06496	0.3
89.03854	0.2
91.05440	0.4
93.07016	0.9
95.04950	6.7
95.08568	0.9
97.02867	10.2
97.06509	0.4
99.04435	2.2
102.28838	0.2
105.03374	100.0
105.48173	0.2
106.03688	0.3
107.04882	0.3
107.08586	0.9
108.04475	0.5
109.02859	9.0
109.03613	0.3
109.06511	0.3
109.10135	0.3
117.03366	1.3
119.08528	0.3
121.06473	0.2
121.10162	0.3
123.04398	7.3
123.11673	0.2
125.09608	0.2
127.03875	4.6
134.03552	0.2
145.02834	3.9
145.04866	1.5
145.10014	0.3
147.11728	0.2
149.05962	0.5
163.67439	0.2
166.14973	0.2
171.24101	0.2
177.05421	4.7
212.03854	0.2
249.07524	15.0
267.08578	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	477.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29392	5.2
55.05501	56.9
57.07069	75.0
58.07395	7.6
67.05496	64.1
69.07051	100.0
71.08604	41.7
79.05457	47.2
81.07030	77.1
83.08580	42.9
85.10139	14.5
85.27449	6.1
85.64598	5.8
91.05453	16.0
92.65386	7.0
93.07010	44.1
95.04948	91.5
95.08572	87.2
97.10130	34.2
105.06995	65.2
107.08543	62.1
109.06499	14.6
109.10126	37.0
109.64356	7.3
111.11691	15.0
117.07024	8.5
119.08584	68.6
121.10091	29.0
123.04385	64.0
123.11701	13.1
125.05991	9.3
131.08548	48.2
133.10097	40.7
137.05965	69.2
137.32275	6.9
141.05426	88.7
145.10114	63.7
147.11662	28.4
149.13217	12.4
151.07581	13.3
153.05515	7.3
157.10095	7.7
159.11681	29.9
161.13229	11.5
163.14711	9.4
165.09070	13.4
169.04918	94.4
171.11690	7.8
173.13194	10.0
185.13277	6.9
189.16370	8.2
193.08612	13.9
193.12172	7.4
203.10614	16.3
207.13921	8.0
243.55484	7.7
343.33621	25.5
378.88870	7.5
399.32626	10.8
417.33270	16.8
435.34525	75.5
441.37039	41.6
459.38626	29.0
477.35391	11.8
477.42596	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	477.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81276	3.1
55.05501	48.1
57.07054	19.3
57.44022	2.8
58.38869	2.6
60.63980	2.6
60.80810	2.6
67.05504	26.8
69.07053	69.8
71.08600	12.6
79.05461	18.8
81.06610	4.4
81.07042	100.0
83.04961	4.3
83.08601	31.8
85.06547	3.2
85.10168	4.3
91.05459	7.2
92.09153	18.1
93.07038	40.3
95.04947	4.9
95.08576	68.1
97.10126	19.2
99.04408	7.9
105.07024	25.4
107.08568	20.9
109.06509	7.0
109.10159	38.8
111.04427	6.6
111.11729	7.8
119.08569	16.3
121.10106	21.3
122.35409	3.8
123.08035	7.5
123.11688	19.4
125.05962	13.8
127.03873	21.6
131.08540	13.3
133.06421	5.0
133.10117	12.7
135.11662	6.4
137.05957	66.5
137.13203	5.6
143.08545	6.5
145.10063	15.3
147.11656	5.2
149.09628	4.2
149.13222	5.7
151.07526	29.4
152.75967	3.4
157.10103	20.6
159.11668	21.1
161.13185	3.5
163.07518	4.1
163.11191	4.6
163.14850	3.6
171.07993	12.4
173.09563	13.0
173.13344	3.5
175.11133	14.4
177.09100	4.2
177.12825	3.8
183.06476	3.6
185.09570	24.4
187.11115	20.0
188.08247	3.9
189.09027	5.9
193.08577	6.9
201.12723	5.7
203.10619	21.4
209.13234	3.8
215.14136	3.6
271.39459	3.6
275.27225	12.8
381.31415	7.8
399.32278	6.1
441.33145	7.1
459.34305	20.4
477.35306	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	477.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
55.05503	52.7
57.07074	29.9
59.74943	2.5
59.97898	2.7
67.05493	40.2
69.03397	3.1
69.07053	77.4
71.04977	11.8
71.08620	11.0
79.05469	30.8
81.07037	100.0
83.04950	5.7
83.08599	34.2
91.05457	14.8
92.09010	20.3
93.07021	35.1
95.04946	3.4
95.08591	85.2
97.10146	22.1
99.04430	24.9
105.06995	21.7
105.73380	2.7
107.08595	32.8
109.06505	14.3
109.10146	39.5
109.70792	2.3
110.35738	2.9
111.04417	11.3
111.11720	5.5
119.08562	24.4
121.06556	3.1
121.10141	23.2
122.82677	2.7
123.08058	5.7
123.11670	23.1
124.61223	2.4
125.05985	16.2
127.03899	41.0
131.08527	11.0
133.06531	3.5
133.10098	12.6
135.08025	5.3
135.11670	13.7
135.61411	2.9
137.05957	66.6
137.09651	3.3
142.07826	4.4
143.08545	4.1
144.92050	2.7
145.10124	5.8
147.11679	6.3
149.09592	5.4
149.13232	11.6
151.07518	21.7
157.10120	13.9
159.11682	15.8
161.13248	5.2
165.09137	4.1
169.09988	3.6
171.08189	3.3
171.11621	3.9
173.09621	6.4
175.11160	5.3
177.09070	4.2
179.17937	3.6
183.06519	6.6
185.09633	11.1
185.13257	3.8
187.11147	12.5
188.08267	5.8
191.10699	3.5
193.08636	4.3
194.11497	6.8
195.11836	6.2
203.10641	33.2
219.13829	3.7
275.27347	10.9
305.59164	2.7
315.30142	4.6
381.31497	6.2
399.32556	24.9
441.33563	12.5
459.34738	26.6
477.33591	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	477.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
53.59525	1.4
55.01872	6.4
55.05503	40.6
57.07066	19.8
57.22697	1.2
59.25116	1.1
62.51457	1.2
65.56171	1.3
67.05490	30.7
69.07056	61.9
71.04968	8.7
71.08617	12.0
79.05482	23.3
81.07039	100.0
83.04960	9.2
83.08606	32.3
84.27457	1.6
85.10163	2.4
86.67935	1.4
91.05426	11.9
92.08841	2.4
93.07024	38.3
95.04958	2.9
95.08585	73.5
97.10158	16.8
99.04436	24.9
100.34129	1.6
105.07015	16.3
107.08572	27.2
109.06506	15.7
109.10139	31.2
111.04422	7.0
111.08070	2.6
111.11699	7.6
117.06959	2.5
119.08576	14.9
121.06438	2.0
121.10124	21.6
123.08045	3.5
123.11672	18.4
125.05976	14.1
127.03894	42.1
130.07709	1.3
131.08562	8.9
133.06451	1.8
133.10095	9.0
135.08020	6.1
135.11684	8.7
137.05956	99.2
137.09546	4.9
137.13231	9.1
141.05424	5.6
142.07736	1.9
143.08565	2.2
144.09387	1.7
145.04927	1.8
145.10098	7.6
147.08080	2.0
147.11646	7.0
147.31311	1.6
149.06067	1.4
149.09550	7.4
149.13243	8.6
151.07500	10.3
153.05461	2.3
155.07014	6.0
157.10085	7.6
159.11636	14.1
160.08745	2.0
161.09602	7.4
161.13248	2.5
163.07500	2.1
163.14813	6.8
165.09096	5.8
167.06999	7.9
173.09578	6.6
175.11188	6.0
177.09073	8.7
179.07021	2.7
183.06512	23.0
185.09630	6.4
187.11208	3.2
188.08316	2.3
189.09109	5.8
191.10692	2.8
195.11769	1.6
197.08115	1.6
201.12685	2.8
203.10626	25.4
205.12198	2.5
217.12169	3.0
219.13724	2.3
227.10623	1.6
235.09654	15.4
275.27222	6.0
293.86688	1.4
293.90701	1.9
315.30472	3.0
333.31583	2.7
362.72308	1.5
375.25281	2.5
399.32446	14.0
413.33755	1.7
415.03552	1.6
417.33740	8.1
441.33688	6.7
459.34653	28.2
477.35876	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	477.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	16.0
57.07059	46.5
60.78005	8.5
61.87791	7.0
67.05492	19.2
69.07043	41.5
71.08600	19.9
79.05471	35.3
81.07006	16.6
81.62238	7.6
83.08588	9.9
89.68427	8.1
91.05472	9.6
92.09261	18.8
93.07061	7.8
95.04954	73.8
95.08573	16.4
97.10155	9.2
99.57409	7.6
105.06989	17.5
107.08534	13.0
109.10168	13.1
121.31358	7.4
123.04387	100.0
123.66228	8.3
135.08083	7.8
137.05914	35.9
139.07484	8.7
141.05469	71.5
147.11665	9.1
151.07500	8.6
153.05449	12.3
165.05467	12.9
167.07036	12.4
169.04926	56.3
179.06888	10.4
203.10652	16.7
225.49118	9.6
417.33438	10.5
435.34448	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87123	1.4
53.03934	8.3
55.01868	20.7
55.05505	62.6
57.03428	21.2
59.04975	1.6
63.60353	1.5
65.03896	2.0
67.05141	2.5
67.05489	55.1
69.03403	9.1
69.04814	1.9
69.07059	22.6
71.04974	3.6
77.68265	1.6
79.05478	76.9
81.03397	100.0
81.07036	62.0
83.04956	12.5
83.08595	34.2
85.02892	2.8
85.06517	2.4
91.05457	57.7
93.07018	45.3
95.04943	41.8
95.08578	23.0
96.33717	1.7
97.06499	2.7
97.10142	41.2
99.08067	3.0
103.05489	2.4
105.03362	8.0
105.07017	41.1
107.04937	38.4
107.08574	36.6
109.06490	13.8
109.10108	14.0
111.04418	2.0
111.08073	10.0
117.07005	27.3
119.04872	3.4
119.08543	29.3
121.06474	35.3
121.10125	12.4
123.08014	10.3
125.09599	23.9
128.06204	3.6
129.06984	27.2
131.04886	11.3
131.08524	30.8
133.06453	13.0
133.10088	15.1
135.04391	4.2
135.08066	13.4
135.11696	3.5
141.06978	8.3
142.07796	3.2
143.08533	11.7
143.10617	2.4
145.06435	26.4
145.10106	15.5
147.04356	3.3
147.08011	15.8
147.11656	7.9
149.09579	10.4
151.07605	2.4
153.09100	7.0
155.08556	4.5
157.06471	3.1
157.10092	13.9
159.08002	9.8
159.11667	8.2
161.09563	2.4
163.11176	3.9
169.06497	2.3
169.10091	8.9
171.08035	3.7
171.10320	2.4
171.11688	11.6
173.09581	7.1
175.11130	14.5
183.07898	2.0
183.11702	3.1
185.09641	3.5
185.13245	3.9
187.11142	8.8
189.11174	9.3
189.12755	6.4
193.10576	3.1
193.12201	23.2
193.56844	1.7
195.11670	2.7
197.13228	2.6
199.11162	3.6
209.09656	2.0
211.11285	2.1
211.13280	2.2
212.07109	1.8
213.12616	2.2
215.14296	4.1
225.12727	2.9
227.12668	16.5
233.15334	11.4
243.13623	2.4
249.14719	3.6
255.13593	2.7
267.15836	66.4
273.14917	3.8
316.18079	1.9
323.20123	2.2
339.23135	2.9
341.21054	20.6
349.21655	4.4
357.24200	7.0
367.22696	22.8
385.23676	37.8
403.24774	13.6
415.24594	9.8
432.47507	1.9
433.25739	45.6
441.25858	4.0
459.27325	91.8
477.28406	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.4
53.03926	7.4
55.01856	15.0
55.05503	66.6
55.54478	1.2
57.03428	20.1
65.03920	2.2
67.05145	2.3
67.05495	57.0
69.03413	14.4
69.07046	22.8
71.04964	6.4
71.99530	1.3
79.05472	67.5
81.03400	100.0
81.06593	3.1
81.07038	59.6
83.04958	12.4
83.08601	36.2
85.02872	7.8
85.06517	6.7
86.09655	2.0
87.83646	1.7
91.05457	59.3
92.08790	6.7
93.07028	47.1
93.07589	1.7
95.04940	51.5
95.08585	28.8
97.02848	3.9
97.06522	10.6
97.10138	32.5
99.04408	3.2
99.08050	2.7
103.05431	2.2
105.03387	25.0
105.07013	47.3
106.03702	2.4
107.04934	34.4
107.08575	36.9
107.64894	1.6
109.02836	2.4
109.06525	15.7
109.10137	24.5
111.08049	7.1
115.05431	3.7
117.06987	21.2
119.04899	6.6
119.08562	32.6
121.02856	6.4
121.06483	33.0
121.10126	18.9
123.04414	2.0
123.08051	8.9
123.11644	1.6
125.09602	29.2
128.06218	3.2
129.06979	25.7
131.04926	10.9
131.08543	32.8
133.06433	14.6
133.10088	17.6
135.04399	6.8
135.08006	12.0
135.11627	3.9
137.05992	3.1
137.09560	2.8
141.06956	7.8
142.07780	3.8
143.08551	13.7
145.02893	2.4
145.06474	27.8
145.10117	17.3
147.04369	3.8
147.08017	16.4
147.11629	11.9
149.05998	2.4
149.09619	12.3
151.07536	2.3
153.09119	3.3
155.08546	8.2
157.06471	2.8
157.10062	15.1
159.08002	8.4
159.11681	8.7
161.09573	7.7
161.13115	2.1
163.03877	8.5
163.07504	2.6
163.11134	8.0
164.04243	3.4
164.58847	2.0
165.09131	1.9
167.08502	2.7
169.10115	9.6
171.08009	3.8
171.10306	2.3
171.11685	8.1
173.02301	3.6
173.09579	2.8
173.13145	2.0
175.11110	11.1
181.10100	2.6
183.11656	3.1
185.06989	2.2
185.09613	7.0
185.13203	2.2
187.11176	7.7
187.14827	1.8
189.09189	3.4
189.11188	6.8
189.12729	5.8
193.12172	20.1
195.11690	2.5
197.09602	2.2
199.11044	3.1
209.13329	1.8
211.11246	5.1
211.13234	2.2
213.12758	3.2
215.07072	2.4
215.10446	1.7
215.14284	6.9
217.12373	1.8
225.12640	1.7
227.08044	1.6
227.12741	8.9
229.12291	2.1
233.15401	6.2
235.90154	1.7
249.14641	2.7
257.15237	2.4
259.09543	3.2
267.15805	44.5
272.06793	6.6
273.14728	7.3
300.06317	17.6
315.08521	28.9
323.19904	2.1
339.23062	2.3
341.21063	10.9
349.21393	6.2
357.24155	2.3
367.22464	15.4
385.23587	26.7
403.24609	10.5
415.24594	6.3
433.25800	36.5
441.26132	2.4
459.27316	65.9
477.28558	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	477.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.4
55.05507	8.5
57.03410	0.9
57.07070	3.6
59.04984	1.8
62.77228	0.5
66.08656	0.4
67.05141	0.8
67.05492	18.8
69.03419	11.5
69.07051	13.7
71.04979	3.6
71.08604	0.9
74.47899	0.5
77.03899	0.7
77.43658	0.4
79.05115	0.6
79.05479	9.1
81.03400	10.7
81.07034	20.6
83.04961	9.0
83.08607	9.6
85.02879	8.6
85.06528	3.2
86.27657	0.5
91.05480	2.7
91.87547	0.5
93.07025	11.7
95.04474	0.5
95.04948	7.8
95.08583	34.3
96.30300	0.5
97.02871	5.0
97.06526	1.2
97.10141	2.5
99.00441	0.5
99.04454	1.1
99.08067	2.4
105.03373	89.4
105.04521	2.3
105.07014	5.9
107.08572	25.6
109.02856	5.5
109.06499	10.4
109.10138	100.0
111.08046	3.1
111.76874	0.5
113.09642	2.1
118.90431	0.5
119.08550	34.1
121.10120	10.9
122.95367	0.5
123.04388	9.7
123.08044	13.6
123.11665	8.7
125.09570	0.8
127.03870	2.9
127.80766	0.6
131.08614	0.7
131.47725	0.6
133.10104	21.5
135.11665	89.9
137.09592	16.7
139.11148	2.4
145.04950	0.8
147.11728	0.9
149.13237	6.6
151.11166	9.4
151.14790	11.2
153.12726	2.5
156.64220	0.5
165.09067	0.6
165.16377	2.1
175.14789	32.7
193.15845	41.5
211.16901	39.8
249.07504	5.5
265.03870	0.6
267.08499	5.4
476.34091	0.6
477.27982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.8
55.01863	14.7
55.05506	54.3
56.95127	1.1
57.03421	17.7
57.07067	1.8
59.04985	1.9
61.36734	1.2
65.03944	2.7
67.05492	50.4
69.03410	7.7
69.07051	17.4
70.67443	1.2
71.04984	3.3
73.47292	1.2
75.86517	1.3
79.05474	57.9
81.03398	100.0
81.07034	51.1
83.04958	12.9
83.08604	29.9
85.02892	2.8
85.06523	1.8
91.05453	52.7
91.06005	2.5
92.08708	4.1
92.09296	3.2
93.07020	33.4
95.04949	42.2
95.08591	23.1
97.02889	1.7
97.06509	6.4
97.10152	32.7
99.08076	1.6
101.27369	1.2
105.03396	9.3
105.07015	39.0
107.04937	29.2
107.08579	25.2
108.81306	1.4
109.06506	9.3
109.10126	13.9
110.65545	1.2
111.08053	8.3
115.05412	2.1
117.06985	17.8
119.04869	1.5
119.08566	29.8
121.06479	33.3
121.10106	13.8
123.04432	3.3
123.08033	6.9
123.11697	2.1
125.05939	1.4
125.09612	23.9
128.06113	1.4
129.06975	24.1
131.04924	5.5
131.08534	21.1
133.06468	9.2
133.10136	12.5
135.04391	2.5
135.08037	7.8
135.11670	2.6
137.05931	1.9
137.09608	2.7
141.06972	2.9
142.07738	1.5
143.08565	12.2
143.10709	1.8
143.46588	1.6
145.06479	19.2
145.10091	12.5
147.04385	2.6
147.08022	13.0
147.11664	12.2
149.09619	9.0
153.09094	2.0
155.08533	5.3
157.06471	2.6
157.10104	15.1
159.08014	6.0
159.11682	5.2
161.05937	2.6
161.09578	2.2
161.13200	1.5
163.03920	2.0
163.11171	3.2
165.09091	8.8
166.09366	4.7
167.08447	1.9
169.10109	5.4
171.07985	1.9
171.11649	6.5
173.09648	2.5
173.13226	1.8
175.11157	8.5
179.08499	1.7
183.08032	1.9
183.11600	1.7
185.09596	1.6
185.13240	2.8
187.11075	1.8
187.14804	2.2
189.11182	10.3
189.12711	2.7
193.12213	25.9
199.11139	6.4
207.11734	1.7
211.13176	2.2
213.12668	2.1
215.14233	2.5
227.12617	12.8
231.13878	1.5
233.15369	10.2
239.14340	1.4
240.86972	1.7
249.14693	1.7
255.13644	3.1
267.15848	54.7
267.18677	2.9
273.14771	8.4
323.20114	1.6
339.22849	1.7
341.20953	8.2
349.21460	5.5
357.24249	2.9
367.22543	16.7
378.29877	1.7
385.23624	32.2
403.24677	9.8
415.24582	2.9
433.25778	21.6
441.26181	3.3
459.27274	52.8
459.33685	2.6
477.28561	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	477.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.05508	6.5
55.43700	0.8
57.03421	1.7
57.49072	0.8
67.05496	7.4
69.03419	0.8
69.07026	1.7
69.35904	0.7
74.14096	0.8
79.05456	7.4
81.03396	9.7
81.07036	5.9
83.04939	1.1
83.08585	5.6
91.05466	7.0
92.08836	3.5
92.09338	0.7
93.07015	8.2
95.04938	4.9
95.08592	5.6
97.10142	1.9
105.07000	6.5
107.04934	4.2
107.08554	3.9
109.06479	1.8
109.10176	1.6
111.08062	0.8
117.07017	2.7
119.08540	4.8
121.06485	4.4
121.10090	1.9
125.09603	3.4
129.06984	3.5
131.08537	5.3
133.06438	1.1
133.10094	3.4
135.08076	0.8
143.08557	1.1
145.06418	1.2
145.10121	1.6
147.08034	1.1
149.09595	1.0
157.10039	1.0
159.08035	1.4
159.11710	0.9
161.09584	0.9
169.10133	1.6
171.11658	1.2
185.04231	1.4
193.12227	1.7
197.13419	0.8
267.15918	6.4
307.54761	0.8
315.19244	94.8
323.23294	0.8
367.22409	1.4
385.23608	3.2
403.24628	1.6
420.82755	0.8
433.25732	7.5
452.41730	0.9
459.27087	8.7
477.24426	100.0
502.89795	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46171	0.6
52.78349	0.7
55.05506	10.8
57.03440	1.0
67.05489	10.3
69.03407	1.1
69.07038	4.1
71.04954	1.0
71.48643	0.8
75.67496	0.8
79.05477	10.7
80.47868	0.8
81.03394	5.0
81.07035	10.8
83.04951	1.1
83.08594	5.4
89.44051	0.9
91.05457	7.7
93.07030	6.9
95.04946	3.6
95.08581	5.3
97.10125	5.4
103.81249	1.0
105.03349	1.5
105.07049	6.5
107.04924	4.3
107.08559	4.8
109.10144	1.5
111.08091	1.1
117.06946	1.8
119.08560	6.7
121.06468	3.8
121.10152	1.2
123.04237	0.8
123.11723	1.1
125.09610	5.6
129.06979	1.7
129.34557	0.8
131.04918	0.9
131.08505	3.7
133.10091	1.9
135.08006	1.4
137.09558	1.0
143.08531	1.1
145.06412	1.2
145.10054	1.2
147.07970	1.8
147.11731	1.3
153.09111	1.4
157.10065	1.0
159.11658	1.6
163.03874	1.5
163.11163	1.0
181.10039	1.1
185.04179	1.8
189.11157	1.4
193.12173	2.0
208.92210	0.9
227.12843	1.1
233.15338	1.4
273.14658	1.1
315.19254	59.1
349.21576	1.0
352.21542	1.0
367.22394	1.7
385.23700	7.6
403.24814	1.5
459.27362	7.9
477.24353	100.0
488.14740	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.9
57.07064	1.5
67.05478	1.5
69.07045	2.0
70.18615	1.4
70.21803	1.5
70.44044	1.3
71.04943	1.6
79.05475	20.8
80.88100	1.6
81.07035	7.1
90.01512	1.4
91.05464	38.0
92.08579	3.2
92.09211	9.4
93.06990	7.1
93.26210	1.5
95.04935	2.8
95.08585	7.0
103.05444	9.6
105.07014	99.0
107.08569	12.3
109.10104	5.7
118.58099	1.5
119.08576	1.6
121.10127	2.2
133.06476	71.3
135.08035	100.0
135.11682	1.5
145.10185	2.2
147.11668	1.9
151.07527	21.9
198.12727	19.4
235.23544	1.3
278.98904	1.6
279.17749	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
54.15461	0.3
55.01856	1.4
55.05505	19.9
56.05030	0.4
57.03428	0.7
57.05808	0.7
58.02962	1.9
58.38511	0.4
64.52029	0.3
65.84969	0.4
67.05489	5.5
67.13067	0.4
68.69342	0.4
69.03423	2.7
69.07047	3.8
69.33733	0.3
70.06569	0.5
70.43831	0.3
71.04958	0.7
72.08139	100.0
79.05461	5.2
81.03395	5.9
81.07040	5.5
82.06522	0.4
82.07391	0.4
83.04964	0.9
83.08611	2.7
84.08118	2.9
85.02892	1.9
85.06522	2.2
86.02422	1.9
86.09704	1.8
91.05457	5.5
92.09033	0.5
93.07029	4.7
94.13656	0.3
95.04945	5.5
95.08584	5.4
96.82066	0.4
97.02848	0.6
97.06518	0.7
97.10168	2.4
103.05014	0.9
104.03442	0.5
105.03395	6.9
105.07001	5.9
106.03687	0.7
106.07350	0.6
107.04952	3.1
107.08571	4.9
109.02886	0.7
109.06512	2.1
109.10166	3.0
110.06033	0.6
111.05537	0.4
111.08062	0.7
115.05077	1.9
117.07006	2.0
119.04955	2.8
119.07309	0.5
119.08559	3.2
121.06505	2.0
121.10102	1.8
123.04444	1.8
123.08039	0.9
125.09624	2.6
129.06978	0.8
131.04926	0.9
131.08563	2.6
133.06479	0.9
133.10120	2.5
135.04442	0.6
135.08058	1.7
135.11694	1.0
136.07552	3.9
137.05965	0.5
137.09599	0.8
139.07523	0.5
143.08557	0.8
145.06491	1.8
145.10121	1.6
146.06001	0.5
147.04434	2.5
147.08058	0.4
147.11710	1.8
149.09660	0.7
149.13345	0.5
152.09528	0.9
153.10223	0.5
157.10078	1.8
159.08078	0.7
159.11682	1.8
160.07538	3.7
161.05948	0.6
161.09619	2.0
161.13329	0.5
163.03928	2.1
163.07481	0.8
164.04221	0.9
165.05496	1.8
165.09145	0.8
166.12241	0.5
167.07013	1.8
169.09691	10.8
171.04457	0.7
171.11519	0.7
174.05553	0.5
174.12732	0.5
177.09113	0.7
180.08916	0.8
182.08173	2.3
185.09633	1.8
185.13005	0.6
189.05499	0.7
189.09081	16.5
190.12383	0.7
193.12283	0.6
193.15933	0.6
195.10196	0.4
197.09215	9.0
201.16423	0.5
202.12219	15.9
211.09560	0.5
212.10518	0.8
213.09094	2.1
214.01176	0.5
230.11758	0.8
231.10132	10.8
233.15327	0.5
238.18037	0.6
245.12785	0.8
248.12764	13.0
256.43866	0.4
267.15994	0.6
268.16583	1.9
279.23019	0.6
281.14929	6.3
281.17542	0.5
294.15518	0.4
296.16034	4.7
297.24045	0.5
332.16245	0.8
336.52609	0.4
347.19730	2.1
350.17117	0.6
367.22537	1.5
378.16516	3.2
379.66705	0.4
385.23770	2.9
393.09384	0.4
403.24634	0.8
433.26019	0.5
449.23901	5.9
459.27484	2.5
477.23306	17.5
477.36703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63952	0.2
53.03933	0.4
55.01850	1.0
55.05271	0.3
55.05507	6.4
57.07050	0.4
62.06059	1.3
65.03915	0.4
67.05493	17.9
69.07054	5.5
70.79504	0.2
73.42480	0.2
79.05476	6.1
81.03395	0.2
81.07040	14.0
82.06550	0.4
83.04935	0.3
83.08595	1.3
85.05266	3.3
86.06052	1.1
91.05470	2.8
92.08806	1.0
93.07019	6.4
95.04928	0.6
95.08583	11.1
96.08092	0.4
97.10139	0.3
98.06030	16.9
98.09674	0.2
98.98421	0.3
99.06808	0.4
105.03323	0.3
105.07018	2.0
107.08566	3.8
108.08038	0.2
109.06474	0.4
109.10141	3.7
110.09677	0.4
112.07568	2.2
117.06976	0.3
119.08560	2.4
120.08163	0.3
121.10134	1.7
122.09664	0.3
123.08080	0.3
123.11682	0.9
124.07575	0.3
126.09145	0.6
131.08533	0.9
133.10101	1.4
135.04350	0.2
135.11684	0.9
138.09103	0.9
140.10681	1.0
145.10095	0.4
147.11630	0.9
149.13219	0.3
152.10663	0.3
154.12233	1.3
159.11732	0.3
161.13275	0.3
163.03848	1.2
166.12242	0.3
168.13797	0.4
173.13214	0.3
180.13850	0.3
182.15285	0.3
194.15350	0.4
196.16988	0.5
208.16991	1.4
220.16821	0.3
222.18486	0.6
236.20039	0.4
238.21783	0.3
248.20061	0.3
304.26291	100.0
305.26593	0.5
458.33301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.8
55.01868	0.9
55.05265	1.0
55.05510	16.3
57.03426	6.3
61.40779	0.8
62.06077	35.6
65.03922	0.8
67.05141	1.7
67.05493	49.6
67.17120	0.8
69.07049	15.1
71.04954	1.2
79.05475	30.2
81.07040	40.9
83.04969	1.9
83.08611	3.1
83.58443	0.8
85.06518	0.9
91.05447	13.1
91.35335	0.8
93.07023	35.5
95.04910	3.1
95.08583	33.7
95.09196	1.3
97.10118	1.5
98.06025	1.2
98.98445	18.1
99.08066	3.5
105.07018	13.9
107.08591	16.0
109.10136	11.0
117.07010	1.9
119.08541	9.0
121.10126	13.9
123.08074	1.1
123.11683	1.9
124.01550	3.5
131.08519	5.9
133.10117	5.8
135.11655	5.7
145.10091	4.9
147.11678	4.0
149.13223	4.7
155.01004	4.0
159.11601	3.4
161.13246	1.3
163.03813	1.5
163.14740	0.9
173.02165	1.3
173.13208	1.1
185.13242	0.9
185.62500	0.8
187.14758	1.0
198.05089	1.1
210.03186	0.9
216.06274	1.3
229.83476	0.9
243.21017	1.4
261.22159	8.2
266.81049	0.8
304.26328	12.3
317.25009	1.0
322.10583	0.9
335.25732	100.0
415.22385	3.1
441.33710	0.9
444.56696	1.1
458.26624	10.2
462.26355	1.0
476.27631	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	476.277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.2
53.03937	1.1
55.01862	0.6
55.05507	13.0
57.03430	13.0
57.07056	1.3
59.12628	0.2
64.33138	0.2
65.03916	1.2
67.05492	47.4
69.07054	12.2
70.77369	0.2
71.04987	0.4
79.05476	24.8
81.07040	38.1
83.04942	1.1
83.08605	4.9
85.06529	0.5
89.29131	0.3
91.05463	10.6
92.08857	0.6
93.07024	26.0
95.04950	2.3
95.08586	31.4
97.06497	1.7
97.10153	1.5
98.98405	0.5
105.04476	0.4
105.07008	7.1
107.08579	10.4
109.06510	0.4
109.10143	9.6
117.06974	2.0
119.08565	4.3
121.10124	8.6
123.08076	0.5
123.11664	2.6
124.01593	0.4
131.08522	4.0
133.10085	3.2
134.45015	0.3
135.11671	4.0
137.13358	0.3
143.76730	0.3
145.10097	2.6
147.11662	1.9
148.12251	0.3
149.09531	0.3
149.13254	1.1
159.11678	0.7
161.13214	1.3
163.74956	0.3
173.13234	1.1
175.14659	0.4
177.16478	0.3
187.14767	0.3
216.06268	0.3
242.55997	0.3
244.02209	0.3
258.41760	0.3
261.21994	1.2
304.26147	2.0
335.25742	100.0
336.25867	0.5
340.53568	0.3
470.73996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.4
53.03928	1.5
54.43036	0.3
55.01858	1.4
55.05507	4.1
57.03430	2.6
57.07065	0.7
61.02904	1.9
66.44258	0.3
67.05490	3.1
69.03416	8.8
69.07053	10.4
70.06602	0.5
71.04977	2.5
71.36961	0.3
73.02887	1.8
79.05475	3.2
81.03406	5.8
81.07038	6.4
83.04960	1.4
83.08606	3.0
85.02891	14.3
85.06529	1.7
87.00818	5.2
87.04446	0.5
89.80360	0.4
91.03937	0.5
91.05468	4.9
92.08753	0.4
92.09263	0.4
93.07030	7.3
95.04944	2.5
95.08584	8.1
97.02868	7.3
97.06486	1.5
99.04437	3.8
103.05418	0.6
105.01881	3.6
105.03384	7.0
105.07011	12.6
107.04928	0.7
107.08577	6.7
107.14600	0.4
109.02861	6.2
109.06470	0.8
109.10130	3.2
111.04399	0.6
111.08079	0.8
112.47943	0.3
115.03858	0.4
117.01845	0.4
117.03350	0.8
117.06996	1.6
118.15763	0.4
119.04922	1.6
119.08560	42.9
121.06437	0.5
121.10113	5.5
123.04431	0.5
123.08036	0.5
123.11676	0.4
125.05984	0.7
125.09615	3.4
126.09978	0.5
127.03885	7.0
129.06897	0.5
129.09061	0.4
131.08549	2.8
133.06477	0.9
133.10104	40.4
135.04427	0.4
135.07935	0.5
135.11702	2.7
137.05971	0.4
137.09583	1.4
139.93343	0.4
143.08597	0.5
145.02882	3.1
145.04964	2.5
145.10117	3.6
147.04381	1.5
147.11661	8.8
149.13229	0.8
151.66901	0.4
157.10071	0.7
159.02840	1.5
159.11664	1.4
160.12442	2.0
161.09601	0.9
173.13217	2.8
175.03862	1.7
175.14786	100.0
176.15060	0.5
177.05426	3.5
177.16333	0.6
191.07056	0.6
191.14359	0.4
193.15881	3.3
207.06520	2.5
243.17299	0.4
249.07697	0.4
261.18442	0.7
267.08624	0.5
327.57935	0.4
459.12872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15335	0.3
53.00301	1.7
53.03954	0.4
55.01865	2.4
57.03426	34.8
59.04989	7.0
60.04514	4.1
61.02915	3.1
61.56889	0.3
63.97120	0.3
65.30019	0.3
67.05467	0.4
69.03412	100.0
71.01339	0.5
71.04984	0.7
73.02899	2.7
75.04456	4.0
75.66247	0.4
79.05469	0.6
81.03395	4.8
82.53574	0.4
84.04462	0.5
85.02885	76.5
87.04446	59.9
91.03921	0.8
91.05444	0.5
92.08983	1.7
95.04962	0.5
95.08550	0.4
97.02863	66.1
99.04421	1.6
101.02363	0.7
103.03917	0.8
105.07003	11.6
107.08524	0.5
109.02895	3.4
109.06503	0.7
111.04405	0.4
115.03904	63.4
123.04382	0.8
124.05177	16.9
126.05448	0.6
127.03881	6.1
129.06937	1.6
133.04938	62.9
133.06415	8.6
133.10022	0.5
135.11650	0.5
137.05951	17.4
144.06526	2.0
145.04921	6.0
145.06027	0.6
145.06451	0.6
148.05153	0.8
150.07608	8.1
151.03835	0.4
155.08342	0.4
157.06389	1.3
159.07982	0.4
161.05836	0.6
162.07669	1.1
163.05907	0.6
165.09071	23.8
169.04910	0.9
174.06706	0.6
177.09003	0.7
180.08510	0.8
187.05934	0.7
189.09085	2.6
189.56995	0.4
201.09027	3.5
207.10056	2.0
223.05930	0.5
229.06943	0.6
231.09976	1.6
241.06888	0.4
243.10005	1.8
259.07904	2.5
261.11020	2.4
277.08936	2.0
290.61221	0.4
295.09985	0.9
300.27740	0.6
472.36935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01859	3.3
57.03425	7.2
60.04531	0.5
61.02914	11.8
67.05491	0.9
69.03417	22.2
69.07050	0.9
70.42256	0.4
71.01347	0.5
71.04971	3.0
73.02900	5.3
79.05476	2.2
79.15794	0.5
81.03400	12.7
81.07059	1.1
83.04962	0.8
83.08615	0.6
85.02892	100.0
85.06528	1.1
86.09682	0.6
87.04451	3.1
89.03909	3.2
91.03929	4.5
91.05477	1.1
92.08842	0.8
93.07022	1.3
95.04926	1.3
95.08607	0.9
97.02259	1.1
97.02878	29.3
97.06513	0.5
97.26679	0.5
99.04429	6.5
103.03921	0.6
105.03384	10.8
107.04926	1.1
107.08582	1.0
109.02865	11.0
115.03940	0.8
117.02536	0.6
117.03367	17.9
119.08513	0.6
120.08090	0.6
121.10120	0.5
123.04427	1.1
127.03893	20.7
131.04933	2.1
135.04395	1.1
135.08064	2.1
137.02353	1.1
145.02840	55.7
145.04910	27.0
149.05951	8.2
151.07552	0.7
159.42320	0.5
160.05334	0.5
163.03917	0.8
163.06003	8.5
174.88756	0.5
175.07460	0.6
177.05438	77.8
178.05832	0.6
195.06567	0.8
201.09077	1.0
220.16936	2.4
238.18005	4.1
239.18311	0.7
249.28246	0.5
261.11099	0.7
261.71805	0.5
267.08463	0.6
325.11307	1.1
339.10654	3.3
449.04810	0.6
475.35239	2.7
476.35754	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	476.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.1
53.03935	0.5
55.01862	2.0
57.03429	36.6
59.04990	7.7
60.04507	4.2
60.14034	0.4
61.02916	4.1
64.93763	0.4
69.03415	100.0
73.02899	5.2
74.44768	0.4
75.04459	4.9
79.05471	1.1
81.03413	3.4
81.07002	0.4
83.04969	4.9
85.02889	78.6
87.04449	60.6
91.03950	2.5
91.05447	0.7
92.08810	0.8
92.64304	0.5
93.07056	0.6
95.04952	0.9
96.04497	0.7
97.02871	62.9
99.04450	2.2
103.03938	0.9
103.05447	0.9
104.07147	0.5
105.03388	1.8
105.07012	19.4
109.02883	2.2
109.06500	0.7
111.04408	0.6
115.03909	62.4
117.06980	0.8
123.04420	0.6
126.05523	1.0
127.03906	4.7
129.06984	1.8
133.04962	60.4
133.06493	26.2
137.05957	27.7
143.08568	0.6
144.06543	1.0
145.04953	6.9
145.06491	2.5
147.08060	0.9
150.07607	6.7
151.03920	0.5
157.06442	0.8
162.07663	0.8
163.06013	0.6
165.09082	40.6
169.04955	0.8
171.08098	0.6
173.08211	0.6
174.06772	0.7
175.07516	1.9
177.09079	4.5
180.08708	1.0
189.09059	4.7
201.09152	2.1
207.10146	5.3
226.17139	0.5
241.07048	2.5
242.41595	0.5
243.10158	1.1
259.08133	2.1
261.11292	2.2
277.09091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.1
53.03950	0.4
55.01864	2.2
55.05499	1.0
55.17957	0.2
57.03427	34.4
59.04989	6.7
60.04508	3.4
61.02909	2.8
64.33679	0.2
64.34792	0.2
67.05492	0.4
69.03412	100.0
69.07058	0.3
71.01340	1.0
71.04975	1.4
73.02896	3.2
75.04460	4.3
79.05489	1.4
81.03407	3.3
81.07040	0.9
83.04968	0.5
84.04504	0.2
85.02885	73.7
85.06515	0.3
86.30997	0.2
87.04444	62.0
91.03937	0.6
91.05463	1.8
92.08842	1.0
93.07029	1.2
94.54942	0.2
95.04942	1.2
95.08599	1.3
96.04456	0.3
97.02866	69.3
98.06032	0.4
99.04424	2.6
100.89686	0.2
101.02406	0.3
103.03914	1.1
103.05456	1.1
105.03369	1.6
105.07008	10.8
107.04933	0.2
107.08572	1.2
109.02863	3.2
109.06499	0.3
109.10132	0.3
111.04424	0.4
111.08067	0.3
115.03904	67.2
117.05445	0.2
117.07016	0.5
119.08568	2.1
121.10171	0.3
123.04410	1.0
124.05181	14.9
124.06094	0.5
125.09616	0.9
126.05513	0.3
127.03889	5.3
128.06206	0.3
129.06972	1.9
131.04901	0.8
131.08537	0.3
133.04939	65.8
133.06407	7.2
133.10078	2.3
135.11678	1.0
137.05946	17.2
139.03868	0.5
144.06567	1.6
145.04941	7.1
145.06432	1.2
145.10048	0.3
147.04370	0.3
147.08040	0.5
147.11650	0.3
148.05212	0.9
150.07605	7.9
151.03925	0.5
151.07500	0.3
157.05188	0.3
157.06482	1.7
159.11636	0.3
161.04504	0.3
161.05945	0.5
161.09560	0.4
162.07585	1.1
163.05977	1.0
163.07336	0.2
165.09068	27.6
169.04907	1.7
171.08002	0.4
174.06676	0.4
175.07466	0.4
175.14819	1.4
177.05492	0.3
177.09114	1.0
180.08659	1.1
187.06044	0.5
189.09047	3.1
190.06189	0.4
193.04868	0.4
199.07535	0.4
201.09082	3.0
203.10706	0.2
205.06993	0.4
205.08664	0.2
207.10164	1.3
215.10541	0.7
223.06007	1.0
229.06943	0.3
231.10089	1.8
241.07005	1.4
243.10147	2.7
259.08112	2.5
261.11157	1.3
267.08508	0.4
277.09085	1.4
279.15897	0.3
295.10101	1.4
306.14557	0.3
312.12778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3415
Annotation	(5Z,7E)-(1S,3R)-18-acetoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
Peak:m/z	Relative Intensity
55.05496	13.8
57.03426	3.9
57.07066	6.2
67.05492	30.0
67.39222	3.4
69.07044	24.0
70.19775	3.4
71.04971	4.7
79.05462	15.1
81.07027	65.1
83.04974	4.4
83.08582	14.7
91.05451	19.3
92.09099	32.2
93.07015	52.6
95.04942	8.3
95.08578	91.4
97.06501	15.1
98.20725	3.8
105.07009	73.0
107.08569	75.5
109.06512	14.1
109.10145	49.9
111.08073	8.2
117.07001	8.7
119.08552	100.0
121.06449	4.2
121.10109	72.5
123.07997	6.7
123.11681	17.5
124.70406	3.9
129.06920	4.2
131.08545	33.4
133.10109	60.7
135.08054	3.9
135.11641	39.9
137.09607	6.9
143.08574	4.9
145.10091	73.3
147.11664	41.6
149.09625	5.2
149.13194	21.7
157.10104	16.2
159.11649	49.1
161.09547	3.9
161.13280	27.9
163.03883	6.1
163.14787	8.7
171.11642	5.5
173.13242	34.6
175.14798	57.1
177.12633	5.4
177.16339	8.2
183.11658	5.3
187.14795	37.7
189.16348	37.3
191.14311	15.7
191.17984	5.8
193.15851	70.6
199.14807	8.0
201.16379	34.2
203.17795	4.6
205.15829	7.6
215.17856	22.6
219.17383	15.4
225.16495	4.1
229.19403	5.5
237.18399	5.1
247.16945	4.5
261.18280	5.5
375.30682	4.8
393.31427	7.6
411.32242	5.5
421.30881	5.5
439.32104	6.5
457.32840	19.0
475.33820	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	475.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57906	1.6
53.03939	7.8
55.01859	11.0
55.05505	39.2
56.13450	1.7
57.03429	3.1
65.03926	1.9
66.65324	1.6
67.05490	36.9
69.03399	10.5
69.07046	11.9
71.04979	8.1
79.05470	41.9
81.03405	24.0
81.07034	38.7
83.04997	6.6
83.08606	15.3
85.02893	3.7
85.06537	2.9
91.05457	32.0
92.09059	10.7
93.07030	24.7
95.04939	26.0
95.08585	27.7
97.02877	4.2
97.06526	2.9
97.10161	19.0
99.08129	2.4
103.05466	2.4
103.55424	1.9
105.03369	47.5
105.07011	33.2
107.04917	13.4
107.08580	24.3
109.02869	13.3
109.06499	29.9
109.10138	23.9
111.08084	3.3
112.27272	1.9
117.06955	16.6
119.04923	4.4
119.08578	22.1
121.06502	14.1
121.10110	11.3
123.04364	9.8
123.08049	12.4
125.02330	3.2
125.09623	10.5
129.07004	10.2
130.07732	1.8
130.88101	2.1
131.04910	4.6
131.08534	20.9
133.06448	9.7
133.10112	19.4
134.76056	2.2
135.04353	4.0
135.08049	19.9
135.11696	3.3
137.09521	7.9
140.01854	1.8
141.06947	2.3
142.07646	2.8
143.08516	10.5
145.06471	12.3
145.10095	13.8
147.04387	8.2
147.08041	8.7
147.11613	2.9
149.09593	11.3
151.07498	2.5
155.08517	4.9
157.10127	8.9
159.08084	9.1
159.11664	5.0
160.05284	2.3
161.05937	35.1
161.09641	4.8
163.03885	4.7
163.11165	7.7
165.09096	15.3
167.08466	3.0
169.10153	4.1
171.08109	7.1
171.11641	3.3
173.05971	9.5
173.09537	3.5
173.13257	10.2
175.07520	3.1
181.10178	2.6
183.08037	3.9
185.05891	3.0
185.09576	3.3
185.13213	3.1
187.07535	3.1
187.11214	2.5
189.09233	2.4
189.11130	2.6
191.14224	14.4
193.12276	3.9
197.09554	2.9
203.14307	2.3
209.15356	4.9
211.11143	4.4
225.12625	3.0
228.34557	2.0
231.13771	3.7
243.13644	3.9
257.15244	2.5
267.08566	4.1
269.15375	3.0
271.13260	8.4
273.14819	5.1
289.14349	17.1
345.53687	2.2
355.22781	3.1
365.21017	13.7
383.22034	46.6
401.22974	18.4
419.24435	2.7
421.23462	4.1
431.23929	3.4
439.24402	4.1
457.25885	35.2
475.20230	3.3
475.26819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
53.03940	4.1
55.01863	0.7
55.05506	2.4
57.03418	1.3
57.07066	2.4
59.04985	0.6
59.06106	0.4
67.05486	3.8
69.03417	6.5
69.07056	2.4
71.04964	1.3
73.02915	0.4
77.03907	0.4
79.05474	8.9
81.03400	7.9
81.07040	5.3
83.04964	2.3
83.08604	2.2
85.02889	10.7
85.06530	3.7
91.05446	2.9
92.08932	1.8
93.07017	6.1
95.04946	25.5
95.08595	2.9
97.02865	4.5
97.06505	0.7
99.04427	4.3
103.03958	0.4
105.03374	100.0
105.07001	5.2
106.03696	1.2
107.08578	7.1
109.02866	3.5
109.06490	2.7
109.10144	4.0
111.04432	0.7
111.08082	0.6
113.05988	1.8
117.07005	0.7
119.08553	5.2
121.06499	1.3
121.10123	8.4
123.04412	9.1
123.08067	1.3
123.11680	1.2
125.05938	0.4
125.09602	1.2
127.03870	3.2
129.06952	0.5
131.08545	2.7
133.10118	5.0
133.85097	0.3
135.08026	2.1
135.11678	3.1
137.05974	1.6
137.09578	0.6
139.07555	0.3
143.08533	1.4
144.09383	0.5
145.02831	0.6
145.04948	0.5
145.06544	0.4
145.10118	3.9
147.04527	0.4
147.08025	1.2
147.11664	1.2
149.05966	0.6
149.09628	0.7
149.13284	0.5
153.09068	4.0
155.08461	0.5
157.10106	1.5
159.08066	0.6
159.11630	1.1
161.09645	0.6
161.13240	1.3
163.11198	0.6
163.14810	1.1
165.05464	0.5
167.07027	0.3
167.14320	0.6
169.10081	0.7
171.10184	0.3
171.11665	0.5
173.09618	1.3
173.13222	1.5
175.14835	0.3
177.05498	0.6
181.12231	0.6
183.11652	0.4
185.13161	0.3
187.11119	0.3
187.14723	0.4
191.14319	1.8
195.63857	0.3
197.09546	0.5
205.15820	0.4
207.13742	0.4
209.15332	6.8
211.11017	0.5
215.10672	0.5
231.06558	0.3
231.13730	0.5
233.15315	1.6
249.07544	5.6
251.16208	0.4
253.16046	0.3
263.16486	0.3
267.08594	8.0
271.16833	0.5
275.16379	0.6
299.16376	1.8
317.17389	1.7
335.18497	0.6
439.21088	0.5
457.22079	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
53.03940	4.1
55.01863	0.7
55.05506	2.4
57.03418	1.3
57.07066	2.4
59.04985	0.6
59.06106	0.4
67.05486	3.8
69.03417	6.5
69.07056	2.4
71.04964	1.3
73.02915	0.4
77.03907	0.4
79.05474	8.9
81.03400	7.9
81.07040	5.3
83.04964	2.3
83.08604	2.2
85.02889	10.7
85.06530	3.7
91.05446	2.9
92.08932	1.8
93.07017	6.1
95.04946	25.5
95.08595	2.9
97.02865	4.5
97.06505	0.7
99.04427	4.3
103.03958	0.4
105.03374	100.0
105.07001	5.2
106.03696	1.2
107.08578	7.1
109.02866	3.5
109.06490	2.7
109.10144	4.0
111.04432	0.7
111.08082	0.6
113.05988	1.8
117.07005	0.7
119.08553	5.2
121.06499	1.3
121.10123	8.4
123.04412	9.1
123.08067	1.3
123.11680	1.2
125.05938	0.4
125.09602	1.2
127.03870	3.2
129.06952	0.5
131.08545	2.7
133.10118	5.0
133.85097	0.3
135.08026	2.1
135.11678	3.1
137.05974	1.6
137.09578	0.6
139.07555	0.3
143.08533	1.4
144.09383	0.5
145.02831	0.6
145.04948	0.5
145.06544	0.4
145.10118	3.9
147.04527	0.4
147.08025	1.2
147.11664	1.2
149.05966	0.6
149.09628	0.7
149.13284	0.5
153.09068	4.0
155.08461	0.5
157.10106	1.5
159.08066	0.6
159.11630	1.1
161.09645	0.6
161.13240	1.3
163.11198	0.6
163.14810	1.1
165.05464	0.5
167.07027	0.3
167.14320	0.6
169.10081	0.7
171.10184	0.3
171.11665	0.5
173.09618	1.3
173.13222	1.5
175.14835	0.3
177.05498	0.6
181.12231	0.6
183.11652	0.4
185.13161	0.3
187.11119	0.3
187.14723	0.4
191.14319	1.8
195.63857	0.3
197.09546	0.5
205.15820	0.4
207.13742	0.4
209.15332	6.8
211.11017	0.5
215.10672	0.5
231.06558	0.3
231.13730	0.5
233.15315	1.6
249.07544	5.6
251.16208	0.4
253.16046	0.3
263.16486	0.3
267.08594	8.0
271.16833	0.5
275.16379	0.6
299.16376	1.8
317.17389	1.7
335.18497	0.6
439.21088	0.5
457.22079	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03919	0.9
53.03935	4.4
55.01839	1.1
55.05508	9.6
56.73024	0.8
57.07055	4.3
57.16310	0.9
67.05493	9.1
69.03412	14.2
69.07053	15.7
71.04973	8.1
79.05476	13.9
81.03406	10.4
81.07039	18.8
83.04979	12.8
83.08580	4.4
85.02866	8.6
85.42793	1.0
91.05439	7.8
92.08850	6.9
93.07027	15.0
95.04942	11.3
95.08591	27.3
97.02857	5.9
97.06489	5.5
99.04470	1.1
99.08058	2.3
105.03378	75.0
105.04524	2.0
105.07015	12.3
107.04956	1.6
107.08575	40.3
109.02844	4.7
109.06485	10.8
109.10141	18.4
111.08050	2.2
117.07052	1.3
119.08571	8.8
121.06454	6.5
121.10115	43.0
122.07274	1.3
123.04414	6.6
123.08026	6.0
123.11671	4.3
125.09619	14.5
127.03889	3.9
129.07019	1.1
131.08531	5.8
133.10123	14.9
135.08044	12.7
135.11678	6.5
137.09583	10.5
139.11166	2.2
143.08557	2.5
145.10120	5.2
147.08057	1.3
147.11658	8.6
149.09599	12.1
149.12135	1.7
149.13251	23.7
151.11160	100.0
158.10890	4.2
159.08018	1.7
159.11655	1.6
161.13248	1.1
163.03894	1.5
163.14824	13.5
165.12700	11.7
173.13213	12.2
185.13196	1.2
187.14664	1.3
191.14275	57.8
209.15332	52.0
209.17326	1.3
249.07591	4.9
267.08633	2.5
306.27261	1.0
334.24481	4.3
383.22025	1.0
475.26596	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	475.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26857	0.9
53.03936	5.9
55.05500	6.4
57.03431	1.4
57.07071	1.4
66.61247	0.8
67.05484	8.2
69.03415	50.7
69.07058	7.5
69.98196	1.0
70.73587	0.8
71.04959	1.2
72.68002	1.0
79.05463	13.6
81.03397	14.1
81.07026	14.1
83.04954	5.6
83.08607	1.4
85.02891	10.5
85.06516	2.2
91.05463	5.7
93.07018	9.8
95.04950	9.5
95.08587	13.6
97.02879	4.9
97.06515	6.2
99.04452	1.8
105.03374	100.0
105.07018	9.6
107.08582	20.6
108.78601	1.0
109.02898	4.2
109.06522	5.5
109.10142	5.2
111.08068	3.5
119.08578	6.9
121.06522	1.3
121.10102	13.9
123.04405	13.8
123.08065	1.9
123.11682	4.4
125.09615	16.7
127.03880	3.6
131.08514	7.9
133.10109	7.6
135.08046	9.7
135.11595	7.4
137.09647	2.3
140.30377	1.0
143.08548	1.5
145.10091	7.0
147.11676	4.9
149.09633	9.3
149.11520	1.3
149.13210	5.5
150.10393	1.2
151.11133	1.5
153.09058	7.1
157.10123	1.4
158.10921	6.4
159.11627	1.8
161.09723	1.2
161.13274	1.3
163.03912	2.2
163.11166	4.1
163.14792	2.3
165.09081	6.4
165.12785	3.6
171.11693	1.1
173.13214	18.2
191.12537	1.7
191.14278	49.7
201.16458	1.5
205.15833	1.3
209.15338	44.6
231.17342	1.2
249.07553	6.1
267.08670	8.8
475.27271	1.4
475.34204	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	475.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47000	0.7
51.96110	0.8
53.03931	6.2
54.42390	0.8
55.01865	1.6
55.05498	5.3
57.03432	1.7
57.07067	1.2
67.05501	9.9
69.03421	14.9
69.07051	7.0
71.04977	1.0
75.56472	0.8
79.05482	15.5
81.03395	18.6
81.07040	18.8
82.23986	0.9
83.04964	4.1
83.08601	3.6
85.02901	12.2
91.05465	11.5
92.08987	9.2
92.63045	1.0
93.07023	13.6
95.04966	12.3
95.08599	11.2
97.02885	8.0
99.04451	1.1
103.05409	1.0
105.03374	100.0
105.07002	20.3
106.07339	1.9
107.08573	30.7
108.08878	1.2
109.02872	6.5
109.06513	13.0
109.10135	12.7
117.07011	5.5
119.08560	14.4
121.06465	3.4
121.10123	28.1
122.07274	6.2
123.04411	8.9
123.08032	7.2
123.11693	4.9
125.09566	1.3
127.03901	4.3
129.06972	1.7
131.08546	11.6
133.06439	1.5
133.10110	67.0
135.08046	12.1
135.11691	6.2
137.09596	57.4
137.13184	1.0
143.08551	5.1
145.10127	7.7
147.11667	13.3
149.09602	10.7
149.13245	17.6
151.11162	29.3
152.04237	0.9
155.08568	1.5
157.10123	4.1
158.40706	1.0
159.11671	4.0
161.13239	3.9
163.03891	1.7
163.14774	1.3
165.09065	4.4
165.12732	45.5
169.10110	1.4
171.11708	1.5
173.13242	10.0
175.07584	1.3
175.14845	1.1
181.10081	1.3
183.11678	1.8
191.14281	42.5
197.13298	1.6
199.14906	1.6
205.12369	1.1
209.15335	83.5
215.17940	1.2
227.10629	1.3
229.12204	1.5
230.12547	1.4
236.11024	0.9
249.07559	8.2
267.08667	6.3
337.21494	6.7
338.21863	9.5
349.67337	1.0
355.22748	6.4
356.23175	8.6
373.23608	7.8
374.24121	7.8
406.47009	1.2
475.26556	3.9
475.33914	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	475.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01875	0.4
55.05501	2.2
57.03436	0.5
57.07084	0.5
57.84838	0.2
61.02907	0.3
65.03925	0.3
67.05490	2.8
69.03412	8.0
69.07053	2.7
71.04987	0.3
79.05474	7.1
79.05892	0.4
81.03400	4.6
81.07033	7.4
81.07468	0.3
83.04943	1.8
83.08619	1.2
85.02888	3.0
91.05447	5.3
93.07029	3.8
95.04948	3.2
95.08564	2.5
97.02869	3.2
97.06525	0.4
99.04439	0.4
105.03370	32.9
105.07003	8.4
105.07657	0.4
107.04911	3.2
107.08572	22.3
109.02867	1.7
109.06494	4.4
109.10138	6.8
115.05392	1.9
116.06248	0.3
117.06995	2.5
118.07851	0.3
119.06049	0.4
119.08542	3.5
121.06471	1.5
121.10115	15.1
122.07259	5.5
123.04398	3.2
123.07999	1.9
123.11697	0.3
125.09609	0.4
127.03888	1.6
131.08537	3.1
133.10101	100.0
134.10408	0.3
135.08026	9.7
135.11676	1.5
137.09589	57.8
143.08559	0.5
145.04933	0.3
145.10103	1.7
147.11636	2.5
148.19447	0.2
149.02287	1.8
149.09607	1.6
149.13225	10.3
151.11150	4.2
152.89943	0.3
158.10898	2.0
163.14783	2.2
165.09103	1.2
173.13219	5.9
191.14268	29.9
209.15314	6.4
231.06378	0.3
249.07545	3.6
267.08514	3.1
284.89508	0.2
377.11099	0.2
398.44211	0.2
399.41852	0.3
448.07635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11175	0.7
53.00296	1.0
53.03928	4.9
55.01547	0.5
55.01847	1.4
55.05503	1.8
57.03401	0.8
57.07054	1.6
66.28880	0.8
67.05501	5.3
69.03075	1.1
69.03415	17.8
69.07050	4.2
71.04984	1.4
71.07307	0.8
77.92599	0.7
79.05468	7.5
81.03400	22.1
81.07047	6.1
81.62814	0.7
83.04960	3.4
83.08602	1.0
85.02898	8.1
91.05453	4.8
92.09253	1.7
93.07043	6.2
95.04950	11.5
95.08589	7.7
97.02866	7.5
97.06496	1.1
99.04454	1.1
105.03378	100.0
105.07011	7.6
107.04952	1.7
107.08588	12.3
109.02888	6.3
109.06489	10.2
109.10168	5.6
118.44828	0.9
119.08542	6.5
121.06467	1.0
121.10129	20.8
122.07255	3.8
122.60490	0.8
123.04411	7.2
123.08087	8.5
123.11696	5.7
125.09613	1.0
127.03903	1.8
131.04942	3.0
131.08539	3.3
133.10072	3.8
135.08026	4.1
137.09595	17.6
137.13188	1.2
143.08504	0.8
145.04979	0.8
145.10072	1.8
147.11665	4.5
149.02321	8.9
149.09590	10.5
149.13252	7.4
150.02637	1.8
151.11160	19.6
158.10829	0.8
165.09106	2.7
165.12717	66.0
173.13228	3.9
191.14304	6.3
193.15819	1.1
209.15341	95.0
230.27863	0.8
249.07530	4.3
267.08511	1.5
309.76813	0.9
330.26874	0.8
405.80487	0.8
457.26059	1.0
460.61969	0.8
466.89044	0.8
475.26526	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05293	0.3
53.03942	2.9
55.01857	3.2
57.03426	6.8
61.02912	12.1
69.03410	19.6
69.07033	0.3
71.01344	0.3
71.04974	3.0
73.02890	3.9
74.06077	0.3
79.05480	0.9
81.03397	9.4
83.01328	0.8
85.02882	100.0
86.09687	1.6
87.04426	3.2
88.70998	0.4
91.03925	6.9
92.08968	1.8
95.04935	0.5
97.02864	26.9
99.04420	4.6
103.03883	0.5
105.03351	4.0
107.04940	3.3
109.02853	8.8
115.03890	0.6
116.04957	0.8
127.03884	21.7
127.50270	0.4
145.04929	32.6
158.04829	0.3
158.06038	0.6
163.05966	11.2
191.24477	0.4
234.87317	0.3
271.08218	0.4
278.10168	0.8
289.08871	0.4
296.11142	1.9
325.11237	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01669	0.2
55.01864	2.9
57.03425	6.6
59.04999	1.6
59.05227	0.2
61.02913	10.9
67.05495	0.2
69.03413	20.5
70.06578	0.2
71.01326	0.2
71.04967	3.1
71.06905	0.2
73.02897	4.8
79.05476	0.9
81.03397	8.9
83.01321	0.9
83.08578	0.2
85.02885	100.0
86.03207	0.3
86.09678	0.3
87.04448	3.5
89.03841	0.2
91.03930	5.4
91.05463	0.3
92.08885	0.7
95.04940	1.2
95.08578	0.3
97.02864	24.6
99.04427	5.3
101.02341	0.8
103.03918	0.4
103.05397	0.3
105.03386	1.0
107.04958	2.0
107.08569	0.3
107.42397	0.2
109.02861	7.8
115.03926	0.9
117.03360	2.7
121.10058	0.3
127.03881	22.3
133.10168	0.2
134.05968	0.5
137.59097	0.2
145.02908	5.8
145.04930	32.3
149.05939	0.5
158.06007	1.6
163.03908	0.3
163.05972	13.2
171.29111	0.2
177.05428	8.6
251.08916	0.3
278.10107	0.3
289.09146	0.3
296.11301	1.6
325.11295	1.2
339.10605	0.4
424.39215	0.2
475.24817	0.8
491.14435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85308	0.4
53.03926	0.8
55.01854	1.9
55.05503	0.6
57.03424	6.3
59.87271	0.3
61.02914	46.2
69.03419	16.5
69.04528	2.1
69.07045	0.4
70.06571	2.9
71.04979	3.1
72.08129	0.9
73.02490	0.5
73.02898	16.8
79.05486	2.1
81.03397	6.5
83.01325	0.5
83.04971	0.6
84.04470	0.4
84.08122	2.1
85.02892	100.0
86.09694	2.5
87.04448	2.9
91.03936	35.9
91.05467	0.6
92.64745	0.4
95.04974	0.8
97.02875	32.8
97.10167	0.6
99.04430	5.3
101.02358	1.0
103.03934	0.9
105.03395	1.7
107.04941	3.2
109.02869	6.7
112.07598	1.0
115.03918	3.0
116.59657	0.4
119.05043	0.5
127.03891	23.2
140.07088	0.6
145.04938	34.0
146.49660	0.5
147.04437	0.7
158.06009	2.8
163.05978	27.4
251.08940	0.6
278.10184	0.7
295.19952	0.5
296.11151	3.3
376.69354	0.5
458.16550	0.5
476.20770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
54.81277	0.4
55.01877	0.3
55.05494	0.5
55.75535	0.3
57.03434	1.6
57.07065	1.4
59.04990	7.3
60.05347	0.3
61.02910	1.6
63.02324	0.3
69.03416	4.8
69.07066	0.5
69.09467	0.3
70.06586	0.5
70.68734	0.3
71.04974	1.4
72.08152	0.4
73.02874	0.6
79.05475	0.4
81.03388	5.0
81.07055	0.5
83.04951	0.4
85.02892	15.9
85.06556	0.4
86.03232	1.6
86.09705	0.6
87.04463	0.7
89.03886	6.9
91.03948	0.3
91.05473	1.4
93.07023	0.4
95.04945	0.4
95.08595	0.5
97.02875	5.3
99.04438	1.7
101.06020	0.4
103.05451	0.5
105.03394	0.5
105.06996	0.5
106.04158	0.3
107.05003	0.3
107.08554	0.6
109.02895	2.5
111.08047	0.4
115.11196	1.2
116.89681	0.3
117.03359	25.7
119.08537	0.5
121.71802	0.3
127.03906	3.0
131.04898	1.3
133.10144	0.3
133.12253	1.7
134.03615	1.8
135.04390	1.8
136.07552	3.1
145.02829	70.9
145.04924	3.6
145.09979	0.4
149.05960	11.1
149.09589	0.4
159.77542	0.3
162.05415	2.7
163.03896	1.3
163.05991	1.5
177.05432	100.0
178.05852	0.5
195.06448	0.5
233.53343	0.3
249.38705	0.3
297.12027	0.5
313.11716	1.5
321.09726	2.6
335.67734	0.3
339.10651	4.8
475.21448	1.6
475.24915	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76335	3.7
50.87338	3.6
53.03922	5.6
55.05491	31.7
57.06802	4.0
59.11013	4.2
67.05495	36.2
69.07053	11.4
74.73506	4.2
78.38134	3.9
79.05470	35.9
81.07036	87.3
83.04934	5.9
83.08597	9.6
85.06525	11.4
85.66488	4.4
89.87947	4.2
91.05441	45.7
93.07018	100.0
95.04934	6.9
95.08594	59.0
97.06484	7.3
97.10115	4.7
105.07013	70.8
107.08582	64.5
109.10126	31.9
111.08082	4.5
119.08560	50.7
121.10121	37.7
131.08507	18.4
133.10112	44.0
135.11665	18.0
137.13306	5.8
143.08560	6.9
145.10094	22.7
147.11662	24.9
149.13252	8.7
159.11612	17.9
161.13219	11.2
173.13210	9.4
175.14812	9.9
201.16455	6.8
210.75919	4.8
213.16412	4.5
312.28723	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	24.2
57.07051	8.5
67.05491	26.7
69.03410	10.9
69.07045	22.2
79.05469	25.9
81.07050	60.0
83.08611	6.9
91.05460	10.4
93.07033	54.4
95.08586	83.4
97.06459	7.5
105.07029	74.8
107.08581	76.7
109.06516	6.9
109.10169	47.8
115.65787	5.9
117.06972	7.5
119.08573	100.0
121.10110	53.2
123.08060	5.9
123.11694	12.2
131.08531	20.2
133.10060	50.0
135.11705	45.3
145.10132	42.3
147.11662	68.9
149.13219	11.1
159.11662	56.0
161.13181	27.2
163.14642	5.5
171.11589	12.0
173.13252	24.3
175.14798	9.8
187.14803	28.1
189.16364	69.7
201.16365	56.1
203.17854	20.2
213.16299	7.8
215.17902	20.0
219.17432	6.9
222.61478	5.4
269.12585	6.6
280.21228	6.1
346.40567	6.1
373.29858	7.1
401.15753	5.9
421.34647	67.1
439.35526	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	474.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94070	0.3
54.05148	0.3
55.05500	2.6
57.03428	8.5
57.07069	11.3
58.06590	43.1
59.04970	0.3
59.07370	14.9
60.08152	12.1
67.05489	4.5
69.07055	3.1
69.91296	0.3
71.04967	0.4
71.08610	7.0
73.02881	0.5
75.04455	4.5
79.05453	0.4
81.07033	5.3
83.08576	2.1
84.08115	0.5
85.02888	2.6
85.10172	3.6
87.04037	0.3
87.04453	5.6
91.05412	0.4
92.08796	0.5
93.07034	0.6
95.08590	5.6
97.06510	0.6
97.10119	1.6
100.11236	0.5
102.05497	0.5
103.03903	0.7
103.81548	0.3
105.05457	0.6
105.06989	0.4
107.08569	0.4
109.10142	2.9
113.05997	0.6
114.37294	0.4
119.08591	0.4
121.10075	0.6
123.11635	0.6
131.06996	1.8
131.08594	0.3
133.10098	0.7
144.10184	9.5
159.11659	0.5
162.11201	2.1
181.39023	0.4
195.59993	0.4
203.14159	0.4
236.14886	100.0
240.51656	0.3
241.61115	0.4
313.27371	1.5
369.29932	0.5
412.37756	1.5
456.36768	18.2
474.37839	75.2
475.38452	0.6
495.06784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
54.81523	0.4
55.01857	0.6
55.05505	62.8
57.03424	2.7
59.04981	0.7
61.02911	3.2
67.05471	0.4
69.03410	6.8
69.07055	8.2
70.89128	0.4
72.08137	2.4
73.02904	0.8
81.02972	0.4
81.03386	2.9
85.02890	36.3
86.09676	0.8
87.04465	0.4
89.00027	0.4
91.03925	0.8
91.05466	0.4
92.09209	1.6
93.26851	0.4
97.02889	7.1
97.10150	100.0
99.04416	0.9
109.02869	3.5
113.09714	0.5
115.03950	0.4
115.11185	43.6
127.03902	7.2
133.12222	29.6
136.49767	0.4
141.62387	0.3
145.04929	8.0
147.04419	0.8
153.12207	0.4
158.88991	0.4
163.06032	2.6
313.26419	0.4
325.11227	0.8
387.40680	0.4
408.13580	0.4
455.58167	0.5
465.98459	0.4
491.76959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86598	2.1
52.86840	2.0
53.03936	4.0
54.76277	2.0
54.81868	2.9
55.01879	2.3
55.05500	24.1
57.03426	9.1
57.07055	8.4
59.04984	2.4
61.02920	3.8
67.05492	33.6
69.03414	27.0
69.07062	18.8
71.04958	4.4
79.05473	70.5
81.03389	5.8
81.07032	46.5
83.04962	4.1
83.08594	4.7
85.02888	48.9
91.05471	32.5
93.07021	97.8
95.04960	4.8
95.08586	33.3
97.02859	15.2
97.06490	4.8
97.10141	8.8
105.03411	3.1
105.07004	29.3
107.08573	55.8
109.02834	4.2
109.06503	3.6
109.10141	23.8
117.06978	3.4
119.08561	21.8
121.10107	49.3
123.11655	2.7
127.03870	5.3
129.06985	2.8
131.08539	12.1
133.10130	19.4
135.11664	40.5
143.08495	4.0
145.10132	11.4
147.11681	10.5
149.13200	19.8
157.10019	3.3
159.11642	5.0
161.09749	2.6
161.13205	3.3
163.14836	3.8
219.17320	3.1
241.19351	2.9
259.00073	2.3
277.21567	100.0
328.27863	2.3
332.37744	2.4
455.35010	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	474.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.6
53.03934	3.7
55.01861	3.7
55.05502	3.4
57.03422	3.2
57.07061	2.5
61.02908	2.7
65.03938	0.7
67.05496	5.7
69.03417	75.2
69.07048	6.5
71.04970	3.2
73.02898	3.1
77.10211	0.5
78.04108	0.6
79.05459	6.9
81.03405	8.7
81.07050	8.1
83.04966	6.4
83.08606	1.5
85.02888	24.4
85.06532	5.2
87.00806	13.4
91.05456	4.2
92.08781	3.3
92.09411	1.0
93.03376	2.5
93.07034	6.3
95.04951	4.7
95.08585	15.3
97.02863	12.6
97.06512	6.5
99.04448	5.0
105.01873	6.7
105.03372	33.3
105.04456	1.3
105.07006	6.2
107.04940	0.9
107.08578	19.6
109.02879	8.0
109.06509	8.9
109.10136	5.7
111.04419	1.0
111.08100	4.5
117.01810	1.1
117.06997	1.5
119.08559	6.9
121.06481	4.7
121.10127	16.3
123.04410	3.2
123.08060	3.9
123.11647	6.7
125.09604	29.0
127.03886	11.7
131.08531	8.0
133.10097	6.3
135.08029	19.2
135.11659	9.4
137.09616	2.4
143.08601	1.5
145.04938	4.0
145.10110	9.4
147.11681	5.5
149.09602	10.8
149.13213	6.0
151.11180	2.3
153.09082	9.3
158.10873	5.7
159.02879	5.8
161.09579	1.1
163.11137	4.5
163.14792	6.5
165.12729	5.2
173.13225	28.6
176.11971	1.0
177.05461	0.9
191.14275	93.7
198.53841	0.6
209.15337	100.0
210.15640	1.1
224.28030	0.6
231.04836	1.1
279.08591	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	474.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57829	0.1
53.00281	0.1
53.03937	0.1
53.29112	0.1
54.62556	0.1
55.01855	0.1
55.05503	2.8
57.03424	0.2
57.07065	3.2
60.63529	0.1
61.02906	0.4
65.03918	0.4
67.05489	0.2
69.03405	0.7
69.07056	0.1
71.04967	0.2
72.98579	0.1
73.02866	0.1
73.06551	0.7
79.05469	0.1
81.03397	0.5
81.07035	0.4
85.02889	2.0
86.18124	0.1
87.04458	0.1
91.05447	0.2
91.16474	0.1
92.08769	0.2
92.09273	0.2
93.03361	0.1
93.07034	0.2
95.04968	0.1
95.08566	0.4
97.02869	0.7
97.10143	0.2
99.04415	0.1
105.03359	0.2
105.06989	0.4
107.08614	0.2
109.02863	0.2
109.10156	0.2
119.04946	0.2
119.08557	0.1
119.35705	0.1
121.02841	1.7
121.03816	0.2
121.10127	0.2
122.41220	0.1
127.03909	0.2
130.63972	0.1
133.10106	0.2
137.09583	0.2
147.04431	0.9
149.02321	100.0
150.02641	0.6
165.09070	0.7
167.03372	1.9
184.49069	0.1
203.06970	0.4
205.08566	9.6
221.08028	0.4
277.14288	4.9
277.17099	0.2
295.15302	0.7
446.05182	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	474.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.6
53.03934	3.7
55.01861	3.7
55.05502	3.4
57.03422	3.2
57.07061	2.5
61.02908	2.7
65.03938	0.7
67.05496	5.7
69.03417	75.2
69.07048	6.5
71.04970	3.2
73.02898	3.1
77.10211	0.5
78.04108	0.6
79.05459	6.9
81.03405	8.7
81.07050	8.1
83.04966	6.4
83.08606	1.5
85.02888	24.4
85.06532	5.2
87.00806	13.4
91.05456	4.2
92.08781	3.3
92.09411	1.0
93.03376	2.5
93.07034	6.3
95.04951	4.7
95.08585	15.3
97.02863	12.6
97.06512	6.5
99.04448	5.0
105.01873	6.7
105.03372	33.3
105.04456	1.3
105.07006	6.2
107.04940	0.9
107.08578	19.6
109.02879	8.0
109.06509	8.9
109.10136	5.7
111.04419	1.0
111.08100	4.5
117.01810	1.1
117.06997	1.5
119.08559	6.9
121.06481	4.7
121.10127	16.3
123.04410	3.2
123.08060	3.9
123.11647	6.7
125.09604	29.0
127.03886	11.7
131.08531	8.0
133.10097	6.3
135.08029	19.2
135.11659	9.4
137.09616	2.4
143.08601	1.5
145.04938	4.0
145.10110	9.4
147.11681	5.5
149.09602	10.8
149.13213	6.0
151.11180	2.3
153.09082	9.3
158.10873	5.7
159.02879	5.8
161.09579	1.1
163.11137	4.5
163.14792	6.5
165.12729	5.2
173.13225	28.6
176.11971	1.0
177.05461	0.9
191.14275	93.7
198.53841	0.6
209.15337	100.0
210.15640	1.1
224.28030	0.6
231.04836	1.1
279.08591	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	474.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.1
55.05505	5.3
57.07067	16.3
60.25126	0.1
61.02907	0.2
65.03924	0.2
65.77680	0.1
69.03414	0.7
69.07056	0.2
70.29509	0.1
73.06532	1.0
81.03384	0.3
81.07038	0.2
83.04962	0.2
85.02899	1.6
86.39215	0.2
91.05470	0.3
92.08894	1.1
93.07049	0.4
97.02846	0.3
105.03377	0.2
105.07023	0.3
109.10072	0.2
121.02840	2.3
124.78254	0.1
129.06955	0.2
131.08531	0.7
132.86653	0.2
149.02322	100.0
150.02698	0.2
161.05959	1.1
166.09314	0.2
167.03398	1.4
169.18698	0.1
172.01920	0.1
175.07503	4.1
185.28600	0.2
194.15947	0.2
203.06987	3.6
205.08586	4.0
221.08138	0.8
224.58559	0.2
277.14297	17.4
282.00803	0.2
295.15353	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	34.2
56.35199	1.8
57.07059	10.2
60.62135	1.8
67.05490	51.6
69.07053	39.9
71.08604	2.2
71.28742	1.4
79.05504	6.6
81.07039	78.0
81.52750	1.8
83.08603	26.9
85.06532	2.8
86.61082	1.9
91.05462	3.2
92.08880	15.7
93.07010	13.5
95.08586	100.0
97.10157	29.8
105.07021	9.8
107.08577	19.7
109.10143	41.9
111.11706	7.6
119.08573	10.8
120.08878	1.9
121.10114	12.4
123.11685	16.6
125.13223	2.3
125.40390	1.8
131.08522	2.9
133.10103	9.1
135.11691	10.1
137.13272	8.4
141.34167	1.8
145.10085	3.2
147.11642	3.7
149.13277	3.2
161.13228	3.1
163.14738	3.3
177.16402	3.4
180.81409	1.9
187.14749	4.4
189.16359	4.0
191.17822	2.4
203.17950	4.6
205.15872	2.1
210.08119	1.9
229.95290	2.2
343.60852	1.9
401.41449	24.5
409.34225	2.8
419.42474	8.7
427.35281	7.5
473.34460	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.00308	0.3
53.03941	3.8
55.01852	0.3
55.05500	1.7
57.03431	0.3
57.07046	0.6
64.33865	0.3
65.03925	2.6
67.05492	11.0
67.10709	0.2
69.03414	17.9
69.07040	1.3
71.04989	0.4
77.03905	0.6
79.05475	18.3
81.03391	1.1
81.07035	1.8
83.04960	5.5
85.02893	3.2
85.06529	6.9
87.00797	2.8
87.85406	0.3
91.05460	0.6
92.08832	1.9
93.03381	5.5
93.07037	1.7
95.04948	77.0
95.08591	1.3
97.02848	0.6
97.06504	0.5
99.04417	0.5
99.08078	5.4
105.03375	100.0
105.04520	3.9
105.07024	2.0
106.03715	0.3
107.04926	0.4
107.08553	1.9
109.02872	0.3
109.06490	0.6
109.10125	1.5
111.04426	6.6
117.07014	0.4
119.08527	2.1
121.02847	4.3
121.10139	2.3
123.04405	29.7
123.08013	0.6
125.09608	0.7
127.03898	0.3
129.05463	5.2
129.06967	0.4
131.08556	1.4
133.02773	0.5
133.10123	1.8
135.08044	0.3
135.11685	0.4
136.23596	0.3
139.03880	23.5
143.08522	0.4
145.10115	0.6
147.11684	1.5
149.02339	0.5
157.04930	3.2
157.10112	0.5
159.11722	0.5
161.09587	0.6
161.13229	0.5
171.11772	0.3
175.14842	0.3
179.03308	2.0
185.13277	0.3
189.08998	0.4
189.12782	0.3
201.16330	0.3
203.14197	0.4
259.20462	2.3
277.21600	1.1
279.08585	58.9
281.26340	0.3
333.70453	0.3
397.17191	0.3
439.26730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28238	0.9
54.22562	0.8
54.81914	1.3
55.05505	38.5
55.33416	0.9
57.07067	11.6
67.05142	2.4
67.05492	60.2
69.07053	50.4
71.08607	1.4
79.05482	13.8
80.51974	1.0
81.07040	96.3
83.08611	33.6
85.06499	1.0
91.05434	2.1
92.08659	1.1
92.09155	4.0
93.07024	9.5
95.04980	1.5
95.08584	100.0
97.10152	30.9
107.08572	7.6
109.10143	42.3
111.11703	12.7
121.10107	9.0
123.11685	16.6
125.13244	2.3
133.10156	1.2
135.11642	4.5
137.13248	6.8
151.14839	1.4
156.43799	1.2
163.14786	1.8
208.92851	1.2
215.55957	1.5
276.77750	1.1
401.41397	24.7
419.42307	12.1
473.34280	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86919	0.7
55.05495	3.4
57.07061	1.8
60.75002	0.8
62.61784	0.7
67.05484	7.0
69.07050	8.9
71.04990	1.1
71.68639	0.9
76.88040	0.9
79.05475	6.3
81.07040	18.1
83.08596	6.1
85.06528	1.3
91.05450	4.3
92.08671	1.2
92.09158	3.2
93.07024	20.9
95.04930	1.2
95.08574	31.9
97.06499	1.0
101.63159	1.2
105.07015	16.6
107.08575	38.1
109.06487	2.3
109.10130	16.6
111.08064	1.1
117.06983	2.0
119.08552	26.5
121.10116	22.6
123.08044	1.6
123.11693	4.8
131.08511	12.5
133.10100	19.1
135.08043	1.2
135.11665	28.8
143.08553	2.2
145.10092	13.0
147.11685	22.6
149.09586	1.3
149.13237	17.0
151.11154	1.1
157.10086	2.3
159.11642	8.4
159.64322	1.0
161.13222	11.8
163.14795	19.8
165.12732	2.2
171.11493	1.6
173.13214	6.5
175.14754	7.6
177.16347	16.6
185.13205	3.7
187.14767	22.4
189.16345	39.1
191.17903	4.6
199.14798	1.8
201.16388	10.8
203.17908	6.3
205.15839	89.1
207.17390	39.4
213.16316	4.6
215.17931	9.6
217.19475	2.1
219.17351	9.1
227.17926	2.1
229.19481	5.3
241.19395	1.8
255.21016	5.9
267.21143	1.0
269.22482	4.8
285.09869	1.2
391.33481	2.3
409.34601	17.1
426.11411	1.1
427.35629	100.0
455.35394	7.8
455.40488	1.0
473.36002	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3622
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
55.05508	3.6
57.03421	0.3
57.07061	0.4
65.62640	0.3
67.05484	4.3
69.07047	5.5
79.05466	4.6
81.07031	12.8
83.04964	0.6
83.08607	3.7
91.05447	3.9
92.08657	0.5
92.09174	1.6
93.07015	13.6
95.04933	1.7
95.08580	23.1
97.06496	1.3
97.10150	2.0
105.07001	11.8
107.08569	23.8
109.06488	2.7
109.10135	11.5
111.08051	1.4
111.11745	0.4
116.34631	0.3
117.06990	0.8
119.08549	19.8
121.10111	19.0
121.10975	0.7
123.07262	0.4
123.08014	2.9
123.11682	4.9
129.06946	0.6
131.08537	6.8
133.10088	14.5
135.08038	1.9
135.11658	19.5
137.09601	0.9
137.13228	0.6
139.84674	0.4
143.08536	2.1
145.10110	9.5
147.11659	18.0
149.09631	0.6
149.13231	11.8
151.11168	1.6
157.10098	2.3
159.11656	7.7
161.13200	7.5
163.14792	9.9
165.12717	0.7
171.11629	1.9
172.12451	0.4
173.13223	4.3
175.11166	0.5
175.14743	5.9
177.12758	0.5
177.16328	8.4
178.46327	0.4
179.14236	0.4
185.13275	2.5
187.14780	15.6
189.16335	25.1
191.14322	0.7
191.17903	3.1
197.13065	0.5
199.14810	2.1
201.16345	7.5
203.17879	2.6
205.15831	36.3
207.17397	21.5
207.19328	0.6
213.16306	2.6
215.17888	5.4
217.19514	1.4
219.17407	3.6
219.52333	0.4
227.18001	0.5
229.19388	3.1
231.20978	0.5
235.20580	0.7
236.51396	0.4
241.19510	1.7
243.20982	1.7
255.21077	3.9
257.22708	0.4
269.22626	2.3
273.21930	0.4
275.39023	0.4
287.23578	1.8
291.23123	1.4
331.26013	0.7
391.33514	1.8
409.34631	5.6
427.35611	100.0
430.86136	0.4
455.35114	3.4
466.45404	0.5
473.35837	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3624
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
50.90719	0.6
52.55870	0.6
53.03922	0.7
54.82111	0.8
55.05503	11.3
57.03436	0.7
57.07061	2.9
65.03922	0.7
67.05492	13.9
69.07056	15.2
79.05470	9.5
81.06596	1.2
81.07041	29.1
81.07764	0.8
83.08610	10.1
85.06542	1.1
88.84122	0.7
91.05463	8.5
92.09115	7.4
93.07021	28.9
95.04946	1.3
95.08585	50.3
97.06506	3.3
97.10195	5.6
105.04507	0.7
105.06464	0.6
105.07009	25.9
107.08583	44.1
109.06498	1.7
109.10146	30.5
109.10857	1.6
111.08052	9.2
111.11723	0.9
117.06995	2.9
119.08567	43.4
121.10126	29.1
123.08033	7.8
123.11682	11.1
125.09650	0.8
129.07014	1.2
131.08537	14.3
133.10110	34.4
133.68361	0.8
135.08051	1.3
135.11676	24.7
137.13257	3.6
139.11159	2.5
142.07782	0.7
143.08545	3.9
145.10109	19.2
147.11668	26.5
149.13245	11.6
151.11137	3.3
157.10126	4.9
158.10886	1.1
159.11678	16.0
161.09654	0.7
161.13196	16.1
163.11165	1.2
163.14781	14.6
166.26895	0.9
169.10109	0.9
171.11679	3.6
173.13211	12.4
175.11188	1.3
175.14781	13.8
177.12659	0.9
177.16350	6.7
185.13254	6.9
187.14812	14.1
189.16354	25.6
189.17924	1.3
191.10609	1.1
191.17921	5.3
199.14807	6.2
201.14502	1.6
201.16357	30.9
203.17935	18.7
205.15881	9.0
207.17418	17.6
211.14717	0.9
213.16348	6.3
215.17940	11.8
217.19487	3.5
219.17480	3.4
221.18968	3.3
225.16368	1.4
227.17975	1.1
229.19542	5.3
231.21092	1.0
239.17740	0.9
241.19481	4.5
243.21146	5.4
247.16859	6.3
255.21037	10.1
257.22525	3.1
261.18411	1.1
269.22574	4.3
273.21719	1.1
301.21643	3.4
315.23044	1.5
331.26239	8.5
357.27850	6.3
358.68692	0.8
391.33508	3.6
409.34634	8.1
427.35635	100.0
437.34283	11.3
455.34854	6.7
473.36084	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	473.3624
Annotation	Odoratone
Peak:m/z	Relative Intensity
55.05508	5.7
55.32275	0.8
57.07068	4.3
66.82685	0.8
67.05490	10.0
69.07050	13.8
69.54122	0.9
79.05476	12.9
79.99589	0.9
81.07036	18.4
83.08603	10.7
88.89201	0.9
90.40549	0.9
91.05460	6.4
92.08831	3.7
92.09319	0.9
92.19794	0.9
92.63647	1.0
93.07027	21.8
95.08585	60.0
97.10141	2.2
105.07014	19.5
107.08581	69.3
109.10145	31.1
117.07018	3.2
119.08562	47.2
121.06530	0.9
121.10125	49.4
123.11694	7.1
125.09642	1.4
131.08525	8.2
133.10110	40.1
133.28668	0.9
135.08034	1.8
135.11673	22.1
137.09602	2.1
137.13289	1.0
143.08537	1.5
144.53589	0.9
145.10104	26.7
147.11665	28.9
149.09601	1.8
149.13243	13.7
153.09120	4.3
154.98955	0.9
157.10133	2.1
158.10823	1.1
159.11684	16.3
161.13235	18.8
163.11153	29.2
163.13583	0.8
163.14757	9.9
167.10661	1.7
171.11691	1.2
173.13252	6.3
175.11221	1.1
175.14793	29.4
177.12767	1.3
177.16354	42.6
179.14267	5.0
183.11632	1.1
185.13164	1.5
187.14781	27.6
189.16353	52.2
191.17926	5.7
201.16353	10.1
203.17938	42.4
205.15848	100.0
205.19522	4.9
207.17410	16.0
213.16350	1.8
215.17918	4.6
217.19542	1.3
219.17448	1.2
229.19383	1.8
249.18431	6.8
285.25848	2.0
295.24179	6.5
305.12827	1.0
311.17340	1.1
313.25131	11.2
336.47586	1.2
339.26907	1.0
391.33530	3.8
395.29529	1.1
409.34570	39.5
427.35480	7.2
437.34149	14.1
455.34796	1.2
472.89905	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3623
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
55.05502	8.9
55.37117	1.0
57.07049	2.0
62.40568	1.1
67.05498	13.1
69.07055	22.0
79.05467	11.7
81.06590	1.9
81.07034	31.9
83.08606	9.8
83.83224	1.0
85.06514	1.1
91.05468	9.8
92.08949	1.5
92.69636	1.1
93.07025	28.8
95.08582	65.3
97.10140	5.2
105.06995	31.9
107.08575	58.4
107.35455	1.3
109.09383	1.6
109.10131	32.1
117.07010	1.6
119.08557	47.4
121.10110	47.9
123.07999	1.5
123.11710	8.8
131.08528	7.6
131.66469	1.2
133.10101	51.1
135.08029	1.5
135.11655	30.9
137.09505	1.6
145.10120	24.7
147.11665	37.2
149.09564	1.2
149.13246	27.2
151.11189	1.7
153.09169	1.4
157.10081	1.4
159.11673	19.5
161.13213	23.9
163.11134	17.7
163.14799	24.4
164.02246	1.2
165.07533	1.1
167.10622	2.5
173.13148	9.6
175.14790	30.4
177.12750	2.3
177.16348	33.8
179.14226	2.6
185.13181	1.7
187.14771	23.0
189.16347	74.1
191.14360	1.4
191.17937	7.8
199.14821	2.0
201.16360	17.1
203.17921	100.0
205.15854	48.3
205.19458	5.6
207.17412	26.3
213.16351	2.1
215.17918	6.3
217.19556	2.0
219.17439	4.5
229.19427	1.6
231.17380	2.7
231.21075	1.6
235.16954	1.8
249.18369	8.2
391.33389	2.7
409.34558	83.9
427.35580	1.9
437.34079	15.7
455.34949	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	473.3622
Annotation	Aceriphyllic acid A
Peak:m/z	Relative Intensity
55.05494	8.4
58.00062	1.1
60.27361	1.0
67.05492	10.3
69.07044	14.6
79.05474	14.6
80.84152	1.1
81.07045	18.6
83.08595	10.8
83.48595	1.1
91.05452	7.4
92.08921	5.3
93.07020	26.0
95.08582	60.3
97.10151	2.2
105.07002	23.7
107.08572	65.7
108.08939	1.8
109.06487	1.5
109.10137	32.3
111.08050	1.7
117.06991	2.2
119.08546	51.2
121.10110	47.0
123.08018	1.7
123.11670	6.4
128.39148	1.1
131.08505	8.3
133.10106	50.7
135.07996	2.5
135.11671	19.8
137.09569	1.2
137.13219	1.5
141.27815	1.2
145.10114	30.8
147.11647	29.5
149.09572	2.5
149.13231	14.9
153.09056	5.4
157.10103	1.8
159.11658	20.2
161.13202	22.6
163.11121	22.0
163.14771	11.9
167.10619	2.2
171.11607	1.6
172.12358	1.2
173.13216	6.3
175.14752	20.9
177.16342	25.6
187.14783	40.7
189.16350	59.8
189.28789	1.1
191.17915	7.6
199.14825	2.0
201.16330	4.8
203.17917	59.2
205.15842	100.0
205.19443	7.1
207.17445	9.8
213.16451	4.2
217.19383	1.3
221.18900	2.4
223.16800	4.5
249.18463	15.4
295.24130	2.5
313.25253	6.0
391.32999	1.5
409.34579	26.2
427.35480	2.5
437.34036	26.5
455.34900	9.4
473.35345	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3623
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
50.43337	0.7
51.35926	0.7
53.03928	1.0
55.05505	10.0
55.90585	0.8
57.07042	2.0
67.05491	11.0
69.07053	15.4
70.61122	0.9
71.95337	0.9
76.84364	1.0
79.04969	1.1
79.05465	7.8
81.07040	22.4
83.08590	7.5
91.05464	5.5
92.09113	4.2
93.07014	18.5
95.08583	48.3
95.09204	1.7
97.10139	3.9
105.07007	24.2
107.08574	45.4
109.10136	27.0
117.07022	1.1
119.08546	47.1
121.10117	43.6
123.11671	8.2
131.08531	6.6
133.10106	45.8
135.08031	1.5
135.11665	17.8
137.13214	1.6
144.09348	0.9
145.10097	31.0
145.11205	1.6
145.18655	1.1
147.11658	33.6
149.13225	15.9
151.14807	1.2
153.09053	2.4
158.10841	1.1
159.10371	1.2
159.11670	32.2
160.25262	1.1
161.13216	22.2
163.11139	7.6
163.14755	14.8
171.11658	1.9
173.13239	7.5
175.14793	19.5
177.12727	1.7
177.16354	25.6
187.13196	1.3
187.14769	36.1
189.16344	54.5
191.17952	8.0
199.14821	1.7
201.16325	10.4
202.16869	1.1
203.17926	100.0
205.15846	41.9
205.19289	3.3
207.17458	5.7
213.16350	6.8
215.17896	1.9
219.17348	2.0
223.16862	4.1
229.19426	1.5
235.16879	1.6
241.19452	1.3
249.18538	10.5
256.46527	1.2
286.58218	1.0
332.03546	1.4
386.19730	1.0
391.33572	9.3
409.34521	40.3
427.35501	3.7
437.34079	33.1
455.35321	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	473.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
53.64591	0.2
55.05501	0.9
62.01605	0.2
63.02368	1.2
67.05492	1.0
69.03397	0.2
69.07055	1.1
78.04668	0.4
78.31312	0.2
79.05470	0.4
81.07049	1.4
83.08620	0.3
89.03895	15.2
89.04459	0.5
91.05460	1.4
92.08823	0.9
92.09359	0.4
93.07019	0.4
95.04943	1.0
95.08588	1.5
97.02894	0.3
98.38428	0.2
99.76454	0.2
103.05450	0.9
105.03348	1.9
105.07025	0.4
106.04152	1.2
107.08587	0.5
109.06535	0.2
109.10152	0.4
117.03358	47.9
118.03652	0.3
121.06477	0.3
121.10084	0.3
123.07931	0.2
124.05173	1.0
129.88741	0.2
134.03604	4.5
135.04401	3.3
145.02827	98.9
146.03156	1.7
149.05954	19.8
149.13162	0.2
157.10051	0.2
157.11383	0.2
162.03026	0.8
163.03857	1.2
165.09074	0.2
177.05431	100.0
178.05759	1.9
186.05453	0.5
197.13185	0.2
332.21747	0.2
365.82877	0.2
458.83075	0.3
473.13968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02015	2.5
53.00274	2.0
55.01854	9.9
55.05498	15.7
57.03428	4.7
57.07081	3.6
67.05491	32.4
68.99770	5.0
69.03436	19.0
69.07042	27.3
71.05006	3.0
71.72283	2.6
79.05468	35.0
81.03475	2.9
81.07038	64.0
83.04971	6.6
83.08599	6.0
85.02881	13.0
91.05463	40.9
92.09145	15.9
93.07021	52.5
95.04946	14.9
95.08585	94.9
97.02853	10.8
97.06529	3.8
97.10148	4.9
105.03384	2.5
105.07018	76.2
107.04938	3.0
107.08581	70.1
108.08908	2.7
109.02775	2.6
109.06497	13.3
109.10137	51.3
111.04429	2.6
117.06982	15.2
119.07719	4.0
119.08560	90.9
121.06483	5.6
121.10123	100.0
123.08019	4.2
123.11665	23.2
125.05968	2.7
125.09606	2.7
127.03894	14.1
128.06171	5.9
129.07018	19.4
130.07765	3.4
131.08556	56.7
133.06467	4.3
133.10097	56.0
135.08054	12.2
135.11726	23.0
140.90050	2.9
141.06970	6.3
142.07756	15.0
143.08528	42.2
144.09319	10.9
145.06429	4.3
145.10095	64.4
147.08040	17.3
147.11653	25.3
149.05936	5.5
149.09631	10.7
149.13210	23.4
155.08527	16.9
156.09325	18.6
157.10103	33.1
158.07216	3.3
158.10789	4.2
159.08037	15.7
159.11659	45.6
161.09587	17.2
161.13255	13.3
163.11090	4.1
163.14742	22.8
165.06923	3.6
165.09105	2.8
168.09351	6.1
169.10037	20.8
171.08006	4.8
171.11627	23.9
172.08786	3.9
173.09604	13.5
173.13211	24.7
175.11148	15.3
175.14809	20.5
177.09064	2.8
177.16347	32.7
183.08124	3.5
183.11638	32.6
185.09575	4.9
185.13275	12.0
187.11174	17.5
187.14876	18.9
189.12715	16.4
189.16319	20.5
191.17886	28.6
193.10040	4.4
195.11722	4.1
197.09627	3.2
197.13252	3.8
198.10558	3.3
199.11133	23.6
199.14757	3.3
201.12752	15.8
203.10631	3.2
203.17903	5.5
211.11108	6.6
213.12711	4.8
213.16371	4.3
217.12215	17.0
229.12187	11.5
241.76036	3.0
247.13226	50.5
265.14240	39.3
283.15231	4.3
309.25607	3.3
363.68625	2.8
389.28180	4.3
418.09027	3.0
419.29556	5.0
437.30569	21.2
455.30908	22.7
473.32486	29.3
473.68384	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	472.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81916	1.0
53.03941	1.2
55.01854	1.0
55.05260	1.6
55.05502	21.7
57.03431	2.2
57.07058	6.5
67.05489	79.6
67.05849	2.7
68.68211	1.2
69.07053	31.1
71.04971	5.4
71.08617	1.8
74.57108	1.3
74.92249	1.2
79.05470	26.0
81.07036	100.0
83.04939	1.5
83.08611	13.3
85.06531	5.7
91.05444	14.7
92.08997	12.3
93.07026	31.4
95.04964	2.5
95.08586	69.3
97.06504	7.0
97.10143	7.9
105.07022	10.1
107.08566	17.7
109.06499	1.7
109.10135	43.1
111.08047	1.5
117.07027	1.8
119.08540	13.1
121.06498	2.2
121.10121	25.9
123.08006	2.1
123.11691	16.8
125.09589	1.5
129.07019	1.3
131.08551	5.8
133.10089	9.7
135.08037	1.6
135.11681	13.9
137.13133	2.8
139.11203	2.9
141.12741	1.8
145.10043	9.0
147.11676	8.4
149.09755	1.5
149.13226	3.1
151.11215	2.2
159.11646	4.9
161.13243	6.4
163.14746	1.4
173.11693	7.9
173.13235	4.8
175.14763	3.1
187.14748	1.8
205.15924	1.3
206.80411	1.6
243.20970	5.3
261.22165	16.9
279.23132	36.1
297.24146	5.4
313.23737	2.3
401.34158	5.1
419.35080	5.0
437.08817	1.7
437.36151	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	472.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58456	1.7
55.05509	4.7
57.06803	2.9
57.07063	36.7
64.99740	3.9
67.05493	21.9
69.07056	10.8
79.05483	10.1
81.07031	25.1
83.08611	4.1
88.41068	2.0
89.05995	2.6
91.05469	10.3
92.08923	7.4
93.07032	8.8
95.08578	23.9
105.07004	23.3
107.08575	9.3
109.02249	1.8
109.10130	14.7
119.08582	2.5
121.10115	3.0
123.11617	2.6
127.11161	4.5
131.08513	3.3
133.06483	18.6
134.07246	10.5
135.08020	100.0
135.11685	3.1
136.08376	2.2
145.12251	2.2
149.13168	1.9
151.07561	8.3
165.03677	18.6
170.90549	1.8
173.11662	2.5
207.39905	1.9
243.21103	2.1
261.22089	4.0
265.13458	2.3
277.16119	7.9
279.23065	4.1
295.17203	47.1
297.24304	2.5
349.35397	2.4
405.33658	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	472.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.7
53.03939	1.5
54.82006	0.7
55.01860	7.0
55.05503	47.8
56.96555	0.7
57.03426	4.8
57.07066	4.1
59.04993	0.8
59.42323	0.7
61.02888	0.8
67.05138	1.6
67.05491	40.8
69.03416	5.5
69.07051	17.2
71.04980	4.7
79.05473	74.5
79.64569	0.7
80.96415	0.9
81.03395	1.9
81.06593	1.6
81.07034	32.8
83.04964	26.7
83.08599	19.3
85.02895	6.9
85.06528	1.8
86.60790	0.8
91.05460	32.1
92.08841	3.5
93.07018	60.4
93.21069	0.8
94.07362	1.0
95.04946	8.3
95.08577	31.6
96.08936	2.0
97.02873	1.7
97.06499	3.8
97.10151	17.9
99.26844	0.8
105.04551	1.0
105.07005	41.3
106.07362	1.8
107.04937	28.0
107.08575	63.1
108.08907	1.3
109.06516	4.9
109.10136	29.1
110.10452	0.9
111.08066	6.2
115.05463	1.1
117.06998	13.4
119.08553	42.9
120.08914	4.3
121.06499	5.2
121.10124	34.4
122.10433	1.7
123.08035	1.6
123.11658	8.8
125.09608	15.7
129.06982	4.2
129.09674	0.9
131.08549	17.1
132.08894	0.9
133.10098	32.5
134.10455	4.2
135.08031	8.5
135.11661	12.3
137.09590	1.4
137.13304	1.4
142.07690	0.9
143.08539	5.2
144.09212	0.8
145.10103	25.6
145.47182	0.9
146.10495	4.5
147.08038	1.4
147.11652	21.1
148.12009	1.9
149.09593	66.0
149.13240	4.1
153.09117	2.8
153.12758	1.5
155.08481	1.0
157.10117	5.3
159.11667	18.0
160.12039	4.3
161.13190	9.0
163.11156	5.6
163.14796	7.0
167.10753	0.9
169.10074	1.4
169.12227	4.3
171.10237	0.8
171.11623	5.0
173.11687	3.5
173.13242	8.9
174.13553	1.5
175.11195	0.9
175.14729	5.7
176.15154	2.0
177.12711	1.4
177.16348	4.7
178.16801	1.3
181.15895	1.2
183.11697	1.1
185.13264	1.3
187.11310	1.1
187.13293	2.4
187.14798	9.2
188.15131	3.3
189.11180	9.8
189.16309	10.6
190.16779	3.5
191.14291	4.3
191.17955	1.3
197.13249	1.8
199.14775	1.0
201.16330	15.9
202.16632	9.0
203.17900	4.2
205.12114	1.2
205.15836	6.3
206.16231	1.4
209.15367	10.4
211.14810	0.9
213.16466	1.5
215.17934	4.3
219.17369	1.6
220.17749	1.3
227.17880	1.0
229.19453	5.8
233.15335	1.3
235.16850	1.1
237.18567	1.2
239.17908	1.9
247.16820	1.5
247.20625	1.9
257.18970	11.6
275.19995	100.0
285.10028	1.5
293.21072	34.1
390.32529	0.9
407.32932	1.0
408.33212	4.6
426.34479	1.1
436.32956	2.8
437.25421	1.1
446.26218	1.0
472.35254	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.8
53.03931	0.7
55.01868	4.5
55.05500	14.2
57.03416	3.2
57.07057	2.4
59.04984	0.6
59.63136	0.4
65.03915	0.5
67.05489	26.3
69.03415	3.9
69.07052	25.0
71.04976	3.9
71.08579	0.5
78.58548	0.4
79.05473	19.3
81.03411	1.1
81.07035	35.9
82.07355	0.8
83.04964	10.1
83.08601	6.5
85.02879	4.4
85.06525	2.0
91.05456	20.4
92.09195	0.6
93.07020	30.7
95.04946	8.7
95.08580	25.8
97.02863	1.9
97.06502	5.0
97.10150	3.0
99.04459	0.6
99.08044	0.7
105.03364	3.1
105.07013	28.5
107.04937	8.0
107.08574	21.3
108.08929	0.5
109.02863	0.9
109.06505	13.9
109.10134	13.9
111.08054	1.6
113.06777	0.4
117.07001	8.6
117.77787	0.4
119.08558	18.5
120.08864	0.5
121.03029	0.4
121.06476	13.1
121.10120	10.8
122.10470	0.5
123.08061	8.0
123.11669	3.4
125.09607	1.0
127.03825	0.8
127.07536	0.7
129.06946	3.1
131.08536	16.9
133.06461	2.9
133.10103	23.2
135.08041	5.7
135.11665	6.6
137.09615	3.5
139.11136	0.6
141.06952	0.5
143.08524	2.9
145.06464	2.6
145.10101	17.0
147.08067	3.3
147.11650	14.5
149.09589	6.3
149.13205	3.6
151.11172	8.3
153.09106	0.7
155.08549	2.3
157.10107	4.8
159.07986	3.6
159.11658	11.2
161.09634	4.4
161.13171	3.4
163.11134	5.4
163.14819	0.7
169.10054	2.6
171.11600	3.8
173.01260	0.5
173.09637	3.4
173.13194	6.9
175.11139	3.1
175.14784	2.1
177.12706	2.6
179.14226	0.6
183.11649	3.4
185.13225	1.8
187.11128	2.4
187.14803	2.5
189.12730	1.1
189.16347	0.7
191.14259	3.5
197.13206	1.1
199.14734	0.8
201.12708	3.6
201.16301	1.8
205.19580	0.5
207.13791	4.0
213.16383	0.7
215.14299	1.0
215.17899	2.0
217.15782	0.5
219.13754	5.2
229.19476	2.4
231.17409	1.1
233.15405	0.8
233.19026	0.8
239.17935	3.8
247.20567	3.2
257.18976	14.3
267.08441	0.5
275.20004	97.7
276.20270	0.7
291.03549	0.5
293.21048	100.0
367.73218	0.5
471.34201	0.7
473.45468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.1
53.03928	0.6
55.01858	0.3
55.05497	0.7
57.03415	0.3
61.02908	0.2
63.02362	0.5
67.05488	0.5
69.03408	2.4
69.07043	0.7
71.04959	0.6
73.02878	0.2
78.04676	0.2
79.05467	0.8
80.89433	0.1
81.03394	6.5
81.07035	1.1
83.04958	0.5
83.08574	0.2
85.02879	3.2
85.06510	0.2
89.03889	8.6
89.16994	0.1
91.05460	1.3
92.09132	0.6
93.07011	1.4
95.04938	0.8
95.08022	0.2
95.08559	1.3
97.02872	0.8
99.04415	1.0
99.08054	0.1
99.53317	0.1
103.05424	0.7
105.03362	2.8
105.06984	1.0
106.04168	0.2
107.04948	0.2
107.08591	1.1
109.02879	2.0
109.06511	0.3
109.10117	0.3
113.09654	0.2
116.04955	1.4
117.03351	31.9
118.03687	0.2
119.04893	0.2
119.08523	1.0
121.06446	0.3
121.10101	0.6
123.04410	0.6
123.11654	0.2
124.05215	0.3
127.03891	0.2
129.06940	0.2
130.80357	0.1
131.04878	0.2
131.08504	0.2
133.02802	0.3
133.06505	0.1
133.10097	0.6
134.03604	2.3
135.04379	3.1
135.08015	0.2
135.11662	0.3
143.08554	0.3
145.02817	83.9
145.10101	0.2
146.03168	0.6
147.04387	0.6
147.11621	0.3
149.05951	12.9
149.09657	0.2
151.03889	0.1
155.08511	0.1
157.10086	0.3
159.11647	0.2
160.05119	0.1
162.03072	0.3
163.03838	1.1
177.05421	100.0
178.05762	0.7
186.05437	1.1
189.09084	1.1
190.09372	0.8
195.06450	0.8
201.16371	0.2
219.13812	0.2
233.80853	0.1
257.18903	0.2
275.20090	0.2
293.20938	1.3
321.09589	5.4
339.10660	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	472.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
53.75408	0.2
55.01865	2.8
55.05487	0.2
55.50899	0.2
56.25431	0.2
56.92844	0.2
57.03429	5.7
59.04992	0.2
61.02592	0.3
61.02912	10.3
61.76216	0.2
64.09281	0.2
69.03413	18.8
69.13671	0.2
71.04977	2.2
73.02900	3.7
81.03402	7.3
83.01314	0.8
85.02888	100.0
86.03217	0.3
87.04449	2.8
91.03931	5.0
92.08662	1.0
92.09302	1.4
92.13442	0.2
93.07051	0.3
97.02866	24.0
97.39955	0.2
99.04433	3.9
101.02364	0.4
103.03915	1.0
105.03371	2.2
107.08581	0.2
109.02863	9.3
115.03910	1.3
115.45951	0.2
127.03890	21.1
143.08635	0.2
145.04935	28.6
163.05981	13.2
167.10747	0.4
171.10194	0.2
281.53360	0.3
293.19647	0.5
325.11224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.2
57.03403	0.2
67.05466	0.2
69.03397	0.6
69.07053	1.1
69.59383	0.1
70.47192	0.1
73.06512	0.2
78.29233	0.2
81.03375	0.4
81.07027	0.3
83.08591	0.2
84.08129	0.2
85.02893	1.2
86.09636	0.2
92.08931	0.4
95.04910	0.9
97.02842	0.8
98.65786	0.2
103.03886	0.2
105.03368	4.7
109.02879	0.6
110.32371	0.2
111.11684	0.2
121.10085	0.2
123.04391	0.2
123.11759	0.2
124.73351	0.2
127.03871	0.4
129.12750	0.4
129.47420	0.1
130.13049	0.2
132.04433	0.3
133.02850	0.2
133.10094	0.2
136.07500	0.3
141.54872	0.1
144.10971	0.2
146.91173	0.2
147.04332	0.2
150.05450	0.6
160.03857	0.2
164.07016	0.3
178.04958	100.0
179.05356	0.2
180.05423	0.2
206.04453	83.7
208.23390	0.2
233.51384	0.2
471.17825	1.5
472.12341	9.2
472.18405	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81797	3.0
55.05495	18.8
57.07049	6.6
67.05486	36.0
69.07056	27.2
71.04955	4.5
76.31350	2.7
79.05466	15.8
81.07042	61.8
83.08614	7.8
91.05450	5.9
91.40389	2.7
92.09015	6.1
92.53057	2.7
93.07031	33.5
95.04918	2.8
95.08015	4.5
95.08588	100.0
97.10155	7.7
105.07003	27.4
107.08569	48.8
109.10146	45.7
119.08569	66.8
121.10110	32.0
123.11699	23.3
125.09654	3.0
131.08508	13.8
133.10104	44.1
135.11676	26.9
137.13225	7.8
145.10124	20.6
147.11618	26.1
149.13272	14.6
159.11658	12.7
161.13229	22.2
163.14799	13.5
173.13260	7.2
175.14783	18.8
177.16376	7.4
187.14789	20.7
189.16342	78.1
191.17906	15.0
199.14734	3.4
201.16380	14.8
203.17935	56.9
213.16365	4.1
215.17845	25.9
231.21060	6.0
252.23355	3.7
257.22345	4.9
275.20004	3.7
360.89252	3.7
368.63885	3.8
393.34961	14.5
411.36206	6.3
425.34235	4.2
453.37131	5.8
471.12653	3.7
471.38449	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62043	0.6
53.03901	0.7
54.82044	0.6
55.05498	9.6
57.07069	8.9
61.92904	0.7
65.14909	0.7
67.05486	18.9
69.07046	15.9
73.77141	0.7
75.82129	0.8
79.05465	6.8
81.07030	64.6
83.04967	0.7
83.08600	10.5
91.05466	6.2
92.08796	1.4
93.07020	22.4
95.08575	100.0
97.10116	4.1
98.98443	1.0
105.07011	18.0
107.08569	35.3
109.06491	1.0
109.10131	42.8
111.11668	1.5
117.06989	3.2
119.08545	35.1
121.10107	27.2
121.10973	1.3
121.11923	0.8
123.11672	29.7
129.06920	1.1
131.08549	9.0
133.10088	23.0
135.11662	18.0
137.13217	34.1
142.10126	0.7
143.08557	6.6
145.06500	0.8
145.10081	16.2
147.11659	16.4
149.13206	12.6
151.14760	1.7
157.10114	3.1
158.10905	0.8
159.11630	16.5
161.13184	10.3
163.14760	8.1
164.71346	0.7
169.10048	0.9
171.11627	10.3
173.13203	14.6
175.14769	15.6
177.09087	1.0
177.16327	14.4
179.17834	5.5
183.11620	1.2
185.13211	3.6
187.14801	9.4
189.16321	19.3
191.10475	0.8
191.17899	5.5
197.13354	2.7
199.14766	6.2
201.16324	20.6
203.17918	12.1
205.15825	1.3
205.19489	4.3
207.17409	1.7
212.15569	3.7
213.16325	17.1
214.17142	1.8
215.17896	53.7
217.19453	2.9
219.17419	1.3
219.20998	1.0
227.17897	0.8
231.21115	0.9
241.19423	3.1
243.21037	7.4
247.16989	1.3
255.20944	3.6
257.22495	1.5
261.18503	1.4
269.22559	1.7
273.18500	3.3
275.19971	9.8
298.04526	1.0
303.23096	1.3
306.00568	0.9
393.35059	31.2
407.33063	1.6
411.35837	3.0
435.32379	1.1
453.37360	12.3
471.38718	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	471.3464
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
53.03930	1.5
55.05502	19.9
56.59111	0.9
57.07069	2.3
67.05187	1.4
67.05489	24.4
69.06698	1.3
69.07045	13.6
75.83879	1.0
77.25688	1.2
79.05470	22.6
81.07034	44.1
83.04961	35.0
83.08599	10.9
85.06553	1.3
85.76883	1.2
91.05453	23.6
92.08983	12.6
93.07018	57.7
95.04921	5.9
95.08576	80.7
97.06483	2.1
97.10126	2.1
104.49035	1.2
105.07006	59.7
107.08571	100.0
109.06470	6.4
109.10133	33.6
111.08060	6.4
117.06982	9.1
119.08548	77.6
121.06516	1.3
121.10116	39.9
123.08056	6.0
123.11674	10.0
125.09598	21.8
126.92768	1.2
129.06947	2.4
130.07724	1.4
131.08536	27.7
133.10095	50.2
135.08026	2.1
135.11653	24.7
142.07701	1.2
143.08519	9.9
144.09320	4.7
145.10098	49.4
146.10846	1.4
147.11652	24.1
149.13229	10.4
151.11148	2.5
153.09048	2.7
157.10117	14.3
158.10840	2.6
159.11664	49.9
161.13217	19.4
163.07498	1.8
163.14731	8.5
165.19371	1.1
169.10094	1.6
171.11607	11.1
172.12334	1.9
173.13205	22.5
175.14758	17.2
177.09030	5.7
177.16360	6.4
183.11667	2.0
185.13196	5.2
187.14786	27.6
189.16342	25.5
191.14314	2.0
191.17850	10.5
193.12134	1.3
197.13280	2.0
199.14767	12.6
201.16339	47.7
203.14244	1.2
203.17876	9.5
205.15875	4.5
205.19464	1.8
205.43558	1.1
207.17346	2.1
211.14723	2.0
213.16341	10.6
215.17920	20.5
217.15849	6.0
219.17441	10.4
221.15245	1.3
227.17932	1.8
229.15791	2.6
229.19475	4.6
231.17381	1.9
233.15164	1.2
235.16855	4.6
239.17863	2.0
241.19362	2.5
247.16833	11.5
248.77107	1.2
253.19522	1.7
255.20747	1.5
261.18420	5.1
267.20941	1.8
311.23788	1.3
329.24844	1.4
341.24640	2.4
389.31818	8.1
395.29160	2.3
407.33047	24.4
423.32541	1.3
425.34015	5.0
435.32526	11.1
453.33636	13.7
471.34265	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45224	2.3
52.22093	2.2
53.72712	2.3
54.81775	2.2
55.05500	20.8
57.07065	4.4
57.17204	2.1
62.08804	2.9
62.22240	2.4
67.05489	26.7
69.07059	32.5
71.04968	3.9
71.10126	2.3
79.05466	15.0
81.07037	50.9
83.04980	5.1
83.08604	17.2
85.54034	3.1
91.05468	23.3
92.08814	4.4
92.09328	3.2
93.07020	52.6
95.04958	4.8
95.08586	70.0
97.06530	5.4
105.07011	61.7
107.08578	77.4
109.06466	8.8
109.10142	42.1
111.08064	3.7
117.07023	11.0
119.08552	100.0
121.10118	77.1
123.08041	5.7
123.11695	16.9
125.09586	4.4
129.06995	4.2
131.08540	38.7
133.10107	67.0
135.08017	4.3
135.11659	33.3
143.08543	13.5
145.10109	68.9
147.11662	47.0
149.09625	11.6
149.13226	15.3
151.11096	3.5
153.09029	3.9
157.10115	18.2
159.11679	61.2
161.13211	28.2
163.07573	4.0
163.11156	17.3
163.14723	19.6
171.11700	14.0
172.12592	3.4
173.13246	22.7
175.11157	3.2
175.14777	22.9
177.09029	10.5
177.12653	4.0
177.16382	18.4
179.10603	2.8
185.13234	13.9
187.14804	57.1
189.12746	3.6
189.16336	37.5
191.17871	20.6
197.13046	4.4
199.14865	5.0
201.16347	78.0
203.17943	15.9
205.15840	36.9
207.17502	3.0
209.13290	4.4
211.14771	3.0
213.16321	6.4
215.17986	6.6
219.17445	22.2
223.16817	37.9
229.15901	3.0
229.19292	3.5
235.16867	11.7
237.18445	5.1
247.16896	22.5
267.20892	3.6
297.08658	3.3
304.66711	3.3
368.34122	2.8
389.31720	4.1
407.32925	14.6
425.33896	6.1
435.32214	6.3
453.33472	12.8
471.34537	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3468
Annotation	Glycyrrhetinate
Peak:m/z	Relative Intensity
53.10136	1.6
55.05494	15.7
57.07060	3.4
58.23371	1.3
66.10303	1.6
67.05494	27.1
69.03415	2.8
69.06750	1.7
69.07057	24.9
71.04979	3.0
73.23810	1.5
79.05473	17.6
81.07040	47.7
81.66728	1.7
83.04967	2.6
83.08591	8.1
85.06515	2.3
91.05457	21.8
92.09106	7.0
93.07024	46.7
95.04928	7.5
95.08009	3.1
95.08586	79.3
97.06518	8.5
97.10150	2.6
102.09040	1.6
103.05408	1.7
104.50174	1.8
105.07018	53.3
107.08578	78.0
109.06487	9.1
109.10143	52.2
111.08056	6.4
117.06944	6.1
119.08561	100.0
121.06438	1.8
121.10122	57.7
123.08080	3.0
123.11692	23.3
125.09609	8.5
127.55668	1.7
129.06946	3.2
131.08556	29.3
133.09177	3.2
133.10117	61.0
135.08000	3.6
135.11664	27.4
137.09535	2.3
137.13162	2.9
143.08543	11.9
145.10117	62.4
147.07993	2.6
147.11667	31.3
149.09586	7.1
149.13226	25.3
151.11157	2.7
153.09077	2.7
155.08502	3.2
157.10106	16.9
158.10899	3.0
159.07991	2.6
159.11661	44.4
161.09584	3.6
161.13216	30.5
163.07498	2.5
163.11151	3.3
163.14761	16.4
169.10109	9.2
170.11000	2.4
171.11650	23.2
173.09615	2.4
173.13228	32.2
175.14796	27.4
177.09019	3.2
177.16336	11.4
183.11670	7.7
185.13206	10.6
187.11177	1.8
187.14778	59.6
189.12737	2.2
189.16335	38.9
191.10556	2.1
191.17902	2.0
197.13220	4.2
199.14801	10.8
201.16357	34.6
203.17947	9.3
205.15869	2.2
209.13193	2.4
211.14787	6.1
213.16283	15.2
215.17934	18.9
217.15927	2.2
219.17342	4.2
225.16335	3.6
227.17920	12.3
229.19504	8.5
231.17322	3.3
233.19005	2.7
237.16408	1.9
241.19460	9.1
243.20955	2.0
245.18903	2.1
247.16905	12.1
251.17798	2.0
253.19456	2.0
257.18915	3.8
265.19223	2.0
267.21005	9.4
269.22656	8.1
281.22534	2.1
285.18488	7.0
285.21967	2.1
293.22598	3.5
307.24445	1.8
319.24408	2.9
363.30298	3.3
377.32101	3.3
389.31955	15.1
395.29535	3.0
397.27448	3.2
407.33078	47.4
423.32407	18.8
425.33902	15.3
435.32462	13.2
441.33694	2.5
453.33609	26.7
471.34991	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	471.3467
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
50.97283	1.7
51.02370	1.6
52.68250	1.5
55.05507	16.9
57.03422	4.6
57.07059	11.2
58.93163	2.1
66.15125	1.6
67.05487	21.3
69.06731	1.8
69.07048	20.0
69.38924	2.0
69.47317	1.7
70.92357	1.7
75.91496	2.3
76.56383	2.3
77.03935	1.9
79.05463	10.2
81.07040	50.6
83.08597	9.8
85.08597	1.6
91.05466	18.6
92.08818	3.4
93.07017	31.5
95.05006	2.3
95.08579	68.6
97.10151	2.6
105.07008	51.3
107.08578	72.4
109.06497	4.6
109.10136	42.7
111.08063	7.9
117.06996	8.7
119.07706	4.5
119.08555	100.0
121.10115	48.7
123.08062	3.9
123.10882	2.7
123.11687	30.9
130.07820	2.2
131.08533	29.8
133.10104	77.1
135.07961	2.2
135.11679	28.2
137.13232	8.0
143.08511	14.5
144.09303	4.1
145.10112	64.2
147.11661	34.4
149.09694	2.0
149.13223	14.2
157.10057	16.9
158.10870	3.2
159.11656	65.3
161.13208	20.5
163.07501	2.8
163.11125	3.0
163.14766	9.5
169.10103	8.6
170.10799	2.5
171.11670	24.4
172.12445	2.6
173.13225	29.6
175.14772	31.2
177.09128	7.3
177.12727	2.9
177.16347	14.0
179.59749	2.0
183.11652	4.7
185.13269	9.5
187.14775	49.6
189.16333	28.0
191.17905	2.6
193.15829	3.3
197.13327	3.8
199.14795	16.1
201.16364	67.0
203.17941	10.0
211.14781	3.2
213.16342	13.8
215.14453	2.4
215.17897	20.0
217.15823	3.2
219.17409	17.7
223.14809	2.6
227.17969	3.2
229.15939	2.1
229.19514	8.0
231.17459	2.8
233.15176	2.6
233.18971	4.0
234.17284	2.4
235.16901	8.4
237.18457	3.6
241.19507	4.0
247.16933	23.7
253.19499	2.6
255.77786	2.1
267.21121	3.9
293.22421	2.3
299.20020	2.9
311.23621	4.0
389.31866	7.9
392.16779	2.5
407.32990	29.4
425.33902	12.6
435.32486	42.1
453.33670	20.6
471.34396	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	471.3465
Annotation	Glycyrrhetinate
Peak:m/z	Relative Intensity
50.05142	1.4
51.04348	1.4
54.81969	1.7
55.05500	20.4
57.03406	1.8
57.07058	3.6
63.09252	1.3
67.05485	23.7
69.03424	2.1
69.07053	20.1
71.86685	1.3
73.64508	1.5
75.02366	1.6
76.56811	1.3
79.05474	20.9
81.07034	45.1
83.08595	11.4
86.08911	1.7
91.05449	27.2
93.07018	46.0
95.04930	3.3
95.08578	95.5
97.06530	3.4
97.10139	6.5
105.06359	3.0
105.07011	63.5
107.08569	70.5
109.06557	2.9
109.10140	42.0
111.08063	10.1
117.06976	14.1
119.08557	100.0
121.10119	51.7
123.08064	1.7
123.11687	10.8
125.09620	2.9
128.43402	1.4
129.06964	3.2
131.08551	38.2
133.10094	64.9
135.11687	22.2
137.09683	1.5
142.07764	3.3
143.08510	10.3
144.09315	3.0
145.10098	66.9
147.08005	1.7
147.11656	36.4
149.09621	2.3
149.13216	19.8
151.11134	1.9
153.09071	3.9
155.08546	2.8
156.09390	3.3
157.10110	19.2
158.10912	3.2
159.11655	52.2
160.12329	2.3
161.13234	29.3
163.11140	2.8
163.14832	12.3
169.10066	3.5
170.10875	1.7
171.11635	24.7
172.12357	2.4
173.13231	24.4
175.11140	2.1
175.14769	34.2
177.09079	6.6
177.12724	2.3
177.16299	13.9
183.11656	2.5
185.13208	17.3
187.14755	39.2
189.16327	45.2
189.17924	2.4
191.14221	2.1
191.17874	11.7
193.12187	1.8
197.13298	5.9
199.14723	15.8
201.16347	37.9
203.14372	3.2
203.17891	24.0
205.15860	12.0
207.17438	6.8
209.13309	2.0
211.14737	1.8
213.16318	11.8
215.14484	2.1
215.17914	15.3
217.15883	7.0
217.19441	2.0
219.17432	6.2
223.14778	1.8
224.15533	2.3
225.16322	3.3
226.82173	1.7
227.17873	6.6
229.15938	1.8
229.19521	8.3
231.17383	2.2
235.16849	7.4
237.16200	1.9
239.17914	4.0
241.19463	10.7
243.21051	3.2
247.16862	12.2
253.19333	2.7
255.21010	3.6
261.18381	2.5
267.20944	7.0
279.88254	1.8
285.18381	2.4
287.19962	2.8
293.22556	3.2
377.32001	2.0
389.31915	7.7
395.29120	2.5
407.32990	28.7
423.32254	7.7
425.33990	22.1
427.44553	1.7
435.32495	29.2
453.33588	27.8
471.34192	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	471.3468
Annotation	Lantic acid
Peak:m/z	Relative Intensity
55.05501	8.4
57.07082	2.1
59.78899	1.0
63.15096	1.0
67.05492	7.8
69.03395	1.1
69.07060	11.8
71.04987	1.6
79.05478	6.6
81.07043	21.4
83.04966	5.0
83.08609	5.8
85.06561	1.1
91.05474	7.1
92.08660	2.6
92.09284	5.4
93.07024	22.7
95.04954	2.8
95.08591	31.8
97.10120	2.6
105.07029	30.4
107.08585	34.4
109.06506	1.6
109.10137	19.4
111.08061	2.1
113.22795	1.3
113.54697	1.1
117.06994	2.6
119.08564	44.2
121.10119	37.9
123.08055	2.8
123.11699	7.4
125.09620	1.9
129.07057	2.0
131.08574	12.0
133.10098	31.9
135.08067	5.3
135.11693	24.5
137.09639	2.3
137.13237	2.5
141.56471	1.4
143.08534	3.0
144.09375	1.3
145.10115	31.1
146.41467	1.2
147.11693	23.1
149.09605	5.6
149.13251	8.0
151.11166	1.2
153.09129	1.4
155.07178	1.2
155.08568	1.7
157.10133	6.8
159.11681	24.4
161.09586	2.6
161.13275	11.2
161.14397	1.2
163.11174	5.9
163.14812	6.4
171.11682	5.8
172.12517	1.5
173.09628	1.8
173.13246	10.0
175.11256	2.4
175.14793	18.1
177.09091	2.7
177.12767	2.7
177.16396	8.1
183.11652	2.8
185.13234	2.2
187.14812	17.7
189.12849	1.5
189.16370	31.9
191.17926	2.7
197.13286	1.7
199.14793	5.6
201.16379	26.5
203.17938	2.9
205.15837	13.5
207.17444	1.5
211.14757	2.5
213.16275	3.0
215.14552	1.9
215.18001	2.0
217.15892	6.1
219.17497	5.6
223.16899	15.4
227.18098	1.4
229.19371	2.1
235.16888	12.2
237.18536	2.4
247.16827	8.8
253.19464	2.1
267.21027	1.4
271.20514	2.8
274.44150	1.5
316.19183	1.5
317.20993	2.4
389.31958	1.8
407.33173	8.9
425.33923	13.5
428.23477	1.3
435.32474	1.7
471.34616	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	471.3469
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.84699	1.6
53.99652	1.5
55.05504	18.0
57.07069	7.0
59.05645	1.5
60.07286	1.5
67.05488	23.4
69.03429	2.2
69.07050	22.2
71.04977	2.8
77.96136	1.5
78.32806	1.6
79.05467	17.4
80.43481	1.4
81.07038	47.2
83.04961	3.6
83.08627	14.5
85.02897	3.4
89.21171	1.8
91.05470	17.8
92.08994	12.6
93.07027	47.3
95.04950	2.1
95.08585	94.5
97.06519	4.3
97.10110	3.2
101.06010	3.1
105.07018	50.6
107.08583	93.9
109.06490	2.6
109.09483	2.8
109.10155	53.0
111.08055	4.3
117.07024	2.6
119.08566	75.5
121.10127	67.1
123.08040	6.6
123.11692	15.4
125.09600	2.6
131.08557	11.0
133.10114	59.9
135.08047	23.0
135.11668	38.5
137.13213	9.8
143.08505	6.8
145.10124	29.2
147.11665	37.3
149.09637	6.7
149.13245	26.5
151.11209	2.4
151.43275	1.8
157.10112	7.3
158.10820	2.0
159.11661	21.0
161.09607	3.9
161.13223	41.0
163.11157	10.9
163.14777	21.0
171.11664	8.6
173.13251	15.2
175.11157	6.2
175.14807	53.1
177.12723	7.0
177.16319	18.4
179.10762	2.0
185.13277	2.4
187.14793	24.2
188.29446	1.8
189.12747	3.6
189.16354	41.7
191.14278	17.7
191.17912	15.9
193.15800	6.5
197.13184	2.6
199.14839	3.2
201.16420	15.6
203.14255	20.6
203.17917	40.6
205.15842	6.5
205.19495	2.7
213.16357	3.7
215.14232	2.4
215.17949	7.7
217.15862	4.1
219.17444	2.3
221.15343	52.5
229.15912	3.5
231.17509	4.4
231.20979	1.9
235.16940	8.8
247.16934	7.8
308.94376	2.0
311.23669	7.0
329.24707	14.7
407.32928	21.2
425.34064	100.0
435.32465	2.2
453.33542	17.1
471.34921	2.9
490.89664	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	13.7
57.03431	1.9
57.07056	3.8
57.80257	1.6
59.22646	1.5
60.48977	2.1
63.75338	1.5
67.05482	19.7
69.07056	16.6
79.05466	19.0
80.15169	1.6
81.07030	58.5
83.04967	7.3
83.08590	12.2
91.05453	19.0
93.07015	57.2
95.04961	8.5
95.08578	82.2
97.06503	6.5
97.10143	3.5
105.07005	64.4
107.08570	97.5
108.08940	1.9
109.06525	8.7
109.10136	50.5
111.08056	3.7
117.06973	9.3
119.08545	81.9
121.06444	7.2
121.10102	59.7
123.08025	4.2
123.11708	16.2
125.09583	12.9
129.06967	2.3
131.08531	41.9
133.10103	71.6
135.08035	4.1
135.11653	33.7
139.07585	2.2
141.06987	2.1
143.08557	11.2
145.10088	56.6
147.08054	1.7
147.11656	51.2
149.09547	3.4
149.13191	20.5
151.11113	2.2
152.05447	2.1
153.09062	4.6
155.08607	1.9
157.10078	12.8
159.11638	38.4
161.09558	7.3
161.13213	42.4
163.11153	7.4
163.14716	19.6
165.12746	2.4
167.10643	6.9
169.10048	2.8
171.11649	8.5
173.13206	41.9
175.11177	7.6
175.14752	35.0
176.38626	1.7
177.16405	16.8
181.12254	1.9
181.98866	2.1
183.11562	2.9
185.13243	16.1
187.11205	2.3
187.14758	39.7
189.16360	34.5
191.14264	100.0
191.17912	11.9
193.12253	7.7
193.15784	3.1
197.13196	2.2
199.14813	10.0
201.16344	30.2
203.14372	19.3
203.17912	79.7
203.36208	1.7
205.15845	17.8
205.19492	10.1
211.14825	2.6
213.16328	9.6
215.17863	14.0
217.15942	3.5
217.19363	2.5
219.17339	7.8
221.15277	33.6
223.16817	2.8
227.17809	2.1
229.19449	2.9
231.21036	7.2
235.16881	3.1
241.19481	2.3
242.71458	2.1
247.16963	9.6
249.18462	22.1
253.19711	2.4
311.23651	3.6
389.31772	4.3
407.32831	25.3
425.33908	29.9
435.32413	4.3
453.33643	25.5
471.34534	24.9
497.00568	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.8
57.03417	3.0
57.07056	8.6
67.05498	20.3
69.03426	1.8
69.07054	21.5
73.92357	1.4
74.67236	1.7
79.05477	12.7
81.07040	42.0
83.08601	14.2
84.71632	1.6
91.05460	22.3
92.08819	6.0
92.09318	2.3
93.07021	50.6
95.08056	2.6
95.08582	73.4
97.06491	2.6
97.10144	2.4
105.07015	64.2
107.05006	1.7
107.07860	4.1
107.08574	100.0
109.06471	4.5
109.10148	50.9
111.08060	9.4
117.07025	9.3
119.06042	2.0
119.08559	82.6
121.06483	1.9
121.10112	78.5
123.08052	9.1
123.11694	17.1
125.09617	12.7
131.08537	39.3
133.10101	71.2
135.08029	4.3
135.11673	40.1
137.09669	6.0
137.13191	4.1
143.08525	9.3
144.09251	2.8
145.10109	71.1
146.42628	1.9
147.11661	40.3
149.09607	2.4
149.13231	11.7
149.21628	1.7
151.11128	2.5
153.09102	2.7
157.10104	11.1
158.10866	2.9
159.11655	60.8
161.13211	28.6
163.11124	11.7
163.14735	16.7
169.10074	4.0
171.11690	10.6
172.12352	2.7
173.09554	2.2
173.13228	30.1
175.14780	30.4
177.09076	3.5
177.12759	2.7
177.16353	18.4
185.13272	7.7
186.14066	2.4
187.14793	53.1
189.16357	36.2
191.17944	14.7
199.14798	10.2
201.16354	73.2
203.17932	7.6
205.15858	31.0
213.16423	11.9
214.16991	2.6
215.17941	11.7
219.17416	14.5
223.14784	2.9
223.16870	27.7
229.15868	3.5
235.16841	3.6
237.18484	3.2
241.19435	2.3
247.16866	16.6
389.32108	4.1
407.32959	23.5
425.33768	2.3
435.32263	6.3
439.09503	2.3
453.33627	3.2
471.34531	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	471.3468
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
51.85746	2.0
55.05505	13.7
57.07064	5.4
59.61303	1.8
67.05499	16.7
68.24208	2.1
69.03422	3.5
69.07061	25.4
79.05487	15.9
80.92628	2.1
81.07048	44.3
83.04978	4.1
83.08625	12.4
83.71532	2.2
89.73389	2.2
91.05465	18.9
92.09048	2.7
93.07030	42.2
95.08591	69.4
97.10191	3.5
103.58610	2.2
105.07018	48.8
105.07671	3.5
107.08582	75.8
109.06512	3.1
109.10146	38.0
111.08084	3.5
113.77997	2.3
117.07018	9.1
119.08565	100.0
121.10137	53.0
123.08070	5.8
123.11691	21.8
129.41736	2.6
129.70882	2.4
131.08548	30.5
133.10118	84.0
135.11668	30.4
142.07816	2.9
143.08554	13.1
144.09357	3.7
145.10098	71.7
147.11676	35.1
149.09590	3.1
149.13266	15.5
157.10132	22.7
159.11685	58.2
161.13245	21.7
163.11189	10.1
163.14769	14.6
163.92076	2.6
165.12802	3.1
171.11699	13.4
173.13187	29.1
175.14810	37.3
177.09152	4.4
177.16406	13.2
183.11719	3.6
185.13258	10.6
187.14780	51.6
189.16339	32.2
191.17989	4.6
197.13213	4.7
199.14897	14.8
201.16377	60.2
203.14342	4.1
203.17955	13.9
205.15846	12.7
211.14690	4.2
213.16383	11.3
215.17938	17.0
219.17450	15.7
225.16527	2.4
227.17963	5.5
229.19476	9.1
233.18988	3.0
235.16832	4.8
237.18497	5.5
241.19470	3.5
247.16826	23.0
254.76953	2.8
265.41638	2.9
281.22775	2.6
311.23618	2.6
367.61795	2.6
389.31744	10.1
407.32999	29.4
425.34094	22.8
435.32571	46.1
453.33557	32.5
471.34668	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	471.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00777	0.3
65.30876	0.4
67.05521	0.4
69.03421	0.5
70.06609	0.4
70.07702	0.4
71.73647	0.3
77.35774	0.4
81.03388	1.4
81.07050	0.4
85.02860	0.9
91.05452	0.5
92.08944	1.6
95.04941	0.4
111.08050	0.5
123.04489	0.5
128.37897	0.4
130.85449	0.3
147.04419	1.9
161.05943	0.8
167.06982	1.6
205.06834	2.1
227.99910	0.4
343.52643	0.4
435.46863	0.4
471.14627	100.0
472.14853	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14765	0.2
53.85717	0.2
54.20622	0.2
59.11115	0.2
62.56502	0.2
65.55706	0.2
69.03419	0.5
69.13116	0.3
70.06571	0.2
74.02419	0.5
80.14004	0.2
81.03413	0.6
81.51978	0.2
85.02877	1.2
85.06512	0.3
87.87221	0.2
89.03904	0.3
91.05448	1.4
92.08885	0.3
93.83087	0.2
97.02869	0.2
108.05243	0.5
109.02793	0.2
110.07201	0.3
115.05423	0.6
117.03302	0.3
117.05778	0.4
117.07015	1.5
118.06517	22.6
119.04910	1.3
121.90654	0.2
123.04422	0.4
124.04702	0.3
127.03855	0.3
130.06487	2.3
131.36130	0.2
132.08072	7.2
137.05960	0.5
139.03889	1.0
142.06505	3.0
143.07253	3.1
144.04446	0.9
144.06908	0.5
144.08064	16.7
146.05991	86.1
147.04401	5.3
147.06287	0.5
159.09151	9.6
160.07513	1.7
163.03880	0.5
167.06981	0.4
170.05980	6.9
188.07037	100.0
189.07458	0.4
191.38988	0.2
205.09700	27.1
254.98079	0.3
307.84921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74870	0.3
52.20457	0.3
53.17154	0.3
54.33647	0.4
58.87151	0.3
61.15817	0.3
67.54488	0.5
70.06570	2.1
71.97971	0.4
72.08123	2.4
92.09169	0.8
116.07040	1.9
155.13686	0.4
167.03133	0.6
169.01074	0.5
187.02124	1.0
212.88144	0.4
229.03143	17.3
233.06276	2.2
247.04182	100.0
247.07736	6.3
261.05777	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75577	7.5
55.05502	53.2
62.91686	9.4
67.05499	83.7
69.07041	33.6
77.76019	10.1
79.05470	58.0
81.07036	100.0
83.08600	23.6
83.74635	9.2
91.05448	14.9
92.00869	9.3
92.09006	96.4
92.63705	10.2
93.07024	20.1
95.08574	55.3
97.10139	40.8
99.97403	8.6
105.07024	11.1
107.08590	23.8
109.10117	18.8
121.10122	12.1
125.09618	39.8
145.10197	10.5
216.73903	10.1
261.22122	14.6
279.23038	11.2
282.51843	11.8
297.24091	11.4
377.39749	10.4
380.96841	11.1
385.31049	15.1
464.85126	10.3
489.57773	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	470.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
54.81908	0.4
55.01854	2.9
55.05493	0.6
57.03427	6.6
61.02910	11.5
63.64800	0.3
67.05489	1.4
69.03413	17.3
69.07055	2.9
70.07337	0.4
71.04967	3.3
73.02895	3.9
79.05471	1.9
79.74053	0.4
81.03408	7.2
81.07017	1.7
83.04937	0.6
85.02886	100.0
87.04453	2.2
91.03928	4.5
93.07018	0.9
95.04956	0.8
95.08591	1.8
97.02867	24.0
97.06519	3.6
98.06873	0.7
99.04416	4.9
105.03393	7.0
105.07027	1.5
107.08547	0.8
109.02872	8.0
109.06487	0.9
109.10118	0.6
111.08089	0.4
115.03904	0.8
117.03337	0.4
119.08582	0.5
121.10113	0.9
122.14155	0.4
123.04440	0.5
127.03896	19.8
129.12727	0.6
130.36562	0.4
130.73781	0.4
145.02818	1.7
145.04935	26.7
145.06090	0.9
145.10075	0.6
147.04378	0.9
161.02350	0.6
163.03899	3.1
163.05960	11.1
164.04149	1.5
173.02307	2.1
174.02672	2.3
176.07094	0.5
177.05466	2.3
204.06497	0.8
212.42213	0.4
215.07060	1.5
216.07356	1.9
259.09610	1.4
260.10001	2.2
267.08606	0.7
277.10648	0.8
278.10925	0.9
279.47015	0.4
291.18024	0.6
294.59906	0.4
325.10748	0.4
466.90268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
54.28434	0.5
55.01858	4.1
55.05501	8.4
57.03425	7.3
57.07064	1.1
61.02919	9.9
63.91508	0.5
67.05483	4.1
69.03416	19.8
69.07056	89.4
70.07372	0.6
71.01382	0.7
71.04985	4.2
73.02916	4.6
75.20052	0.5
79.05495	0.8
81.03401	11.0
81.07045	3.8
83.01354	0.8
83.08613	1.4
85.02891	100.0
85.06516	3.6
86.09684	2.3
87.04458	0.7
91.03929	3.9
91.05437	1.3
93.07020	2.9
95.04968	2.7
95.08578	2.5
97.02872	25.4
97.06502	1.4
99.04450	5.1
99.08032	1.0
100.50228	0.6
103.03920	1.0
105.03378	3.7
105.07021	1.4
107.08564	2.7
109.02866	10.3
109.06466	1.2
109.10152	4.5
111.04434	0.7
111.08070	5.4
111.11702	22.7
115.03912	1.1
117.05482	0.7
119.04943	0.7
119.08537	0.9
123.04385	1.4
123.11693	3.3
124.78165	0.6
125.00005	1.0
127.03891	17.1
127.11181	1.1
129.12735	22.2
129.13649	0.9
133.10120	1.1
135.08011	1.2
135.11694	0.8
137.09590	3.5
141.12715	7.5
142.28787	0.6
145.03018	0.7
145.04951	16.4
146.00404	0.7
147.04408	2.6
151.07469	0.9
151.11272	0.6
162.05489	1.2
163.03894	1.3
163.06004	7.3
164.04158	0.9
165.09106	0.9
177.05476	0.7
177.12677	0.8
184.07317	3.7
191.03343	3.0
195.13779	1.0
215.07074	1.4
219.13806	2.4
237.14772	1.2
255.15854	3.6
259.09637	0.6
260.09933	0.7
273.16882	6.0
291.17868	6.7
325.11359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.3
51.41045	0.3
53.03934	3.8
55.01871	0.3
55.05494	0.6
57.03422	1.5
61.02917	0.4
67.05489	5.1
69.03071	0.4
69.03412	7.7
69.07053	0.6
70.54198	0.3
71.04974	10.3
71.27944	0.3
73.02912	0.3
77.03935	0.3
79.05061	0.4
79.05479	9.1
81.03401	9.6
81.07038	5.2
82.13824	0.3
83.04952	0.7
85.02884	11.1
85.06529	14.8
86.20058	0.2
91.05447	6.2
92.08582	0.4
92.09125	1.5
93.07020	4.2
95.04383	0.5
95.04944	5.6
95.08595	1.6
97.02874	5.6
97.06477	0.5
99.04417	1.7
101.06037	0.5
105.03371	100.0
105.07003	5.3
106.03695	0.4
107.08564	5.7
109.02860	6.3
109.06490	1.3
109.10140	8.3
111.79026	0.3
113.02178	0.4
115.55339	0.3
121.10129	1.3
123.04403	12.6
123.08025	0.3
123.11678	1.7
127.03878	5.6
131.08521	0.6
133.10103	16.1
145.04922	0.5
151.11145	12.2
151.12334	0.4
160.24332	0.3
169.12186	10.7
181.20218	0.4
187.13258	31.1
231.06543	1.9
249.07487	5.3
267.08557	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04059	0.2
51.02368	0.4
53.03937	3.8
55.01850	0.4
55.05489	1.6
57.03420	0.7
57.78164	0.2
61.02901	0.3
67.05479	1.7
69.03410	6.7
69.07063	0.6
70.80080	0.3
71.04981	3.1
73.02915	0.3
75.15362	0.2
77.03941	0.3
79.05470	16.4
79.63485	0.2
81.02930	0.5
81.03397	14.1
81.07035	47.9
83.04955	5.1
85.02881	7.8
87.04452	0.5
91.05455	2.2
92.08967	0.5
93.07014	3.9
95.04942	5.9
95.08583	0.6
97.02865	8.4
97.06492	2.3
99.04431	1.5
105.03369	100.0
105.07016	4.8
107.04952	0.4
107.08556	1.4
109.02859	8.8
109.06484	1.5
111.04430	0.3
111.08070	0.5
119.08533	1.3
121.06433	0.4
123.04395	8.3
123.08056	1.4
127.03883	5.5
128.06244	0.3
131.08511	1.1
133.06474	0.3
133.10083	5.9
135.08034	0.5
137.09625	0.5
143.08553	0.5
145.02771	0.3
145.04955	1.3
147.04443	0.4
147.08017	0.5
149.09573	0.3
151.11128	0.4
151.69402	0.3
159.08058	0.3
161.09615	0.5
163.03882	1.1
165.09073	0.6
171.08046	0.5
177.08928	0.3
189.09039	0.5
207.06464	0.4
207.10107	1.1
216.07341	0.3
217.06931	0.3
225.11249	1.3
231.06358	0.4
243.12009	0.3
249.07510	22.8
259.09479	0.3
260.09863	0.6
267.08548	19.0
277.10562	0.3
311.12610	0.4
329.13669	1.0
347.14816	2.8
360.46616	0.3
375.78839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
54.07782	0.8
55.01873	9.3
55.05499	5.8
57.03429	14.5
57.03871	0.8
57.07059	1.5
59.04979	0.9
59.94789	0.7
61.02920	11.3
67.05495	14.7
69.03073	1.5
69.03418	26.8
69.07059	1.8
71.04980	8.6
73.02895	5.6
79.05472	3.2
81.03394	13.6
81.07046	3.7
83.01340	1.1
83.04973	3.5
83.08595	9.7
85.02891	100.0
85.06523	9.5
87.04432	4.4
91.03921	4.4
91.05455	3.2
92.08825	4.1
93.07017	11.1
95.04938	3.4
95.08585	4.9
97.02256	1.4
97.02870	29.0
97.06494	3.3
99.04428	5.9
99.08083	1.0
107.04939	1.1
107.08585	2.0
109.02863	8.6
109.06494	3.6
110.07059	0.8
110.54324	0.9
111.04430	1.7
111.08065	67.7
113.09639	11.1
115.03909	1.0
121.02767	0.9
121.06464	1.0
121.10126	1.1
123.04414	4.1
123.08028	4.0
127.03893	21.5
127.07530	4.8
129.05443	1.0
129.09094	90.3
135.07970	1.5
137.05899	3.0
137.09496	0.9
139.03877	9.3
139.07596	1.0
141.09070	3.6
145.04945	19.5
147.04388	2.0
151.07481	0.9
153.09061	1.6
161.05922	0.9
163.05986	4.2
165.05461	1.1
166.89450	0.9
171.09998	0.8
237.11185	1.7
255.12149	5.6
273.13248	15.8
289.32397	0.9
291.14307	36.4
291.17603	1.7
347.09482	6.8
348.09860	11.1
470.13409	28.5
470.20786	1.8
471.13739	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01855	1.1
61.02916	1.1
67.05487	1.6
67.26877	1.0
69.03407	4.0
69.03759	1.2
69.07030	0.9
79.05474	1.8
81.03396	71.7
81.07032	1.6
83.04960	1.6
85.02878	5.9
91.05460	1.9
92.08757	4.3
93.06992	1.1
95.04955	15.8
95.08569	1.5
97.02856	2.0
97.06461	1.4
105.07005	1.9
107.04940	6.9
110.07134	2.1
111.04408	1.5
111.08076	1.6
115.05402	2.2
115.07556	2.3
117.06973	1.7
119.05024	1.2
121.02840	1.4
123.04404	24.1
124.05167	2.0
127.03854	1.2
128.06235	1.5
129.09070	1.5
133.06494	2.5
137.05951	1.4
139.03886	1.8
140.04674	4.6
143.04926	1.4
145.06467	6.5
146.06006	10.0
146.07008	1.4
147.04395	2.2
147.08043	4.1
152.04677	2.3
154.96245	1.0
155.05899	1.3
155.07033	7.9
156.05676	22.6
159.10191	1.4
161.05913	4.3
167.06998	100.0
173.05888	6.8
174.06819	1.0
175.07503	5.6
179.06909	1.2
179.47224	0.9
180.31021	1.1
183.06493	6.7
184.05139	9.1
190.06235	3.6
202.06181	12.5
203.06850	1.0
205.08516	1.2
207.10168	11.5
217.08553	70.0
227.96666	1.0
235.09607	20.7
253.10648	1.1
257.72775	1.0
259.42096	0.9
263.09210	1.5
264.07855	1.4
271.09579	1.1
331.11661	1.1
371.14883	6.8
471.14310	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	470.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35800	0.6
53.03931	2.0
54.00443	0.8
54.81458	1.0
55.01859	1.7
55.05507	10.1
55.68755	0.7
57.03418	6.1
57.07058	1.8
59.04983	1.9
61.02908	3.8
67.05491	52.9
69.03408	11.1
69.07052	7.5
70.06566	1.8
71.04977	8.7
73.02896	3.5
73.06531	1.0
73.25416	0.8
73.53079	0.8
79.05473	6.8
81.03393	6.1
81.07039	100.0
83.04957	5.3
83.08594	4.5
84.08141	1.3
85.02885	31.9
85.06536	9.6
86.06045	1.1
86.09680	4.7
87.00813	20.8
87.04471	3.4
91.05462	7.8
92.08877	2.0
93.07010	8.4
95.04938	5.6
95.08585	10.8
95.59183	1.0
97.02859	12.1
97.06528	1.5
97.10153	2.3
98.27110	1.0
99.04440	4.0
105.01862	4.0
105.03392	1.9
105.07025	9.0
107.08573	13.0
109.02856	4.7
109.06481	8.1
109.10143	12.7
111.04417	1.6
111.08067	3.4
113.05971	1.4
115.03928	1.5
119.04843	0.9
121.06410	1.1
121.10116	3.6
123.04419	1.3
123.08006	1.0
123.11682	80.4
124.99983	1.4
125.09604	1.0
127.03876	5.1
131.08517	1.5
133.10107	23.0
136.07504	1.4
137.09634	1.3
139.03935	1.5
141.12717	34.5
145.04929	1.8
151.11156	39.0
159.10123	3.5
159.13776	4.4
161.96541	1.0
164.07010	1.6
169.12180	10.2
177.05446	1.4
177.09087	1.3
184.07324	5.7
186.07683	1.0
187.13252	12.9
213.80830	1.0
215.07114	1.4
216.07364	1.2
227.12741	1.9
255.12233	6.5
260.09558	1.0
273.13275	35.0
291.14322	39.5
307.92593	1.0
440.15646	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3307
Annotation	Tyromycic acid D
Peak:m/z	Relative Intensity
53.03925	2.8
53.54966	1.8
55.05488	12.0
56.20576	2.5
63.42786	1.8
64.60707	2.2
65.03909	2.2
67.05480	14.3
69.03398	3.2
69.07037	14.8
69.81878	2.3
73.62505	2.5
79.05463	15.8
81.07038	41.7
83.04948	2.3
83.08574	4.0
91.05453	19.3
93.07021	44.6
95.08579	76.0
97.06479	3.3
105.03377	3.3
105.07005	48.2
107.08572	74.0
109.06470	5.5
109.10133	32.2
117.06985	11.6
119.07715	4.0
119.08548	100.0
121.06458	11.2
121.10115	44.7
123.08006	3.9
123.11697	4.3
129.06921	4.3
131.08531	30.1
133.10091	52.8
135.08011	10.7
135.11661	23.0
137.09448	3.1
142.07719	4.0
143.08514	15.6
145.06473	3.0
145.09029	2.2
145.10095	54.3
147.08000	23.1
147.11650	47.0
149.09572	3.3
149.13225	14.7
153.09135	5.7
155.08542	3.5
156.09288	5.4
157.10059	25.9
159.08006	18.3
159.11673	33.3
161.09583	39.2
161.13202	28.7
163.11075	4.1
163.14760	13.2
169.10008	4.4
170.10960	3.0
171.11647	16.2
173.09569	13.9
173.13197	26.3
174.46100	2.3
175.11118	21.4
175.14742	21.8
177.12735	9.2
177.16348	14.9
183.11601	9.0
185.13196	13.5
185.15788	2.4
186.10371	3.6
187.11183	10.3
187.14783	32.0
189.12724	29.5
189.16330	50.1
191.14296	14.1
191.17888	9.0
195.11794	2.9
197.13200	14.7
199.14775	11.0
201.12740	17.9
201.16312	17.1
203.14293	48.5
203.17903	29.8
207.13753	4.7
208.48979	2.7
211.14822	5.5
213.16364	4.2
215.14275	50.6
215.17781	4.9
217.15828	10.1
221.15317	10.0
229.15842	11.2
229.19397	4.4
231.17355	4.8
233.15327	10.2
235.16830	9.0
241.19420	3.0
245.15251	4.1
247.16789	5.7
327.23001	4.1
381.40988	3.1
383.93640	3.2
387.29831	2.5
393.31387	18.3
405.31390	24.7
421.31006	13.8
423.32538	50.8
433.30960	11.9
439.32114	20.8
440.23840	2.7
451.31982	29.7
469.32956	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	469.3308
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03930	1.3
55.05502	12.6
57.03426	1.4
57.07052	2.8
59.04974	1.4
62.91371	1.2
67.05491	17.7
69.03406	2.0
69.07049	20.2
71.04972	3.1
71.08591	1.3
79.05455	8.6
80.72468	1.4
81.07034	34.0
83.04935	3.0
83.08601	9.6
91.05455	13.5
92.08695	4.0
92.09277	3.7
93.07018	26.4
95.04938	2.4
95.08580	46.4
96.60218	1.4
97.06512	2.4
97.10155	1.6
105.07003	39.0
107.08577	37.4
109.06505	5.6
109.10123	21.9
111.08065	2.6
117.06994	7.7
119.08549	100.0
121.06474	2.1
121.10116	37.1
123.08028	6.8
123.11678	7.9
128.06187	2.5
129.06975	7.8
130.07747	2.5
131.08537	34.2
131.09450	2.5
133.10095	46.9
135.08017	3.0
135.11688	14.8
137.09598	2.5
137.13164	1.4
142.07730	7.6
143.08519	20.1
144.09328	2.4
145.10103	46.5
147.08061	2.7
147.11646	17.7
149.09618	6.0
149.13219	11.0
151.11070	2.8
155.08493	3.0
156.09332	8.4
157.10085	29.3
158.10867	7.5
159.08014	2.4
159.10356	2.1
159.11653	46.9
161.09612	10.0
161.13216	16.0
163.14764	6.7
167.10727	1.5
169.10045	10.6
170.10912	5.5
171.11641	23.6
173.13228	28.3
175.11200	1.8
175.14772	33.3
177.09070	2.9
177.12784	2.7
177.16348	10.5
181.10071	2.0
183.11690	11.8
184.12401	3.5
185.13257	14.7
187.14763	34.0
189.16385	13.4
191.14200	2.4
193.10175	1.8
195.11627	3.4
196.12424	2.0
197.13222	9.3
199.14798	25.0
201.16322	31.1
203.14281	6.7
203.17957	3.7
205.10312	1.6
205.15791	2.3
207.11662	2.5
209.13245	8.2
211.14793	11.4
213.16333	12.6
214.77158	1.8
215.14313	1.7
215.17889	3.5
217.15816	11.9
221.13248	3.1
223.14777	5.6
225.16344	2.4
227.17920	5.7
229.15826	1.8
231.17366	3.2
235.14784	2.8
235.16898	30.3
237.16301	5.6
239.17902	3.4
247.14729	3.0
249.18515	3.2
251.17911	2.1
253.19400	2.4
255.20944	1.9
261.16263	2.2
265.19641	1.8
275.17798	2.2
277.19116	1.8
279.21054	2.4
293.22473	1.7
297.24487	1.8
303.21069	2.2
309.22089	2.5
317.22632	3.0
319.24194	3.3
327.23068	2.5
333.25784	2.1
387.30420	25.3
405.31409	62.0
423.32465	45.9
433.30850	9.2
451.31961	15.5
469.15674	1.5
469.33542	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
50.33185	1.6
55.05495	16.6
57.07068	3.0
57.21971	1.8
67.05492	23.8
69.03421	3.1
69.07048	26.5
79.05470	18.0
81.07034	61.0
83.04965	3.4
83.08584	2.9
91.05443	27.8
92.08729	2.1
93.07015	47.3
95.04945	2.9
95.08587	59.8
97.06496	4.7
97.82335	1.9
105.03380	11.2
105.07006	59.6
106.03710	3.1
107.08573	68.9
109.06468	10.7
109.10142	39.4
111.08029	4.4
117.06978	9.8
119.08555	100.0
119.09393	4.4
121.06442	2.7
121.10103	46.2
123.11672	11.9
129.06917	3.1
131.08546	37.4
133.10097	58.6
135.08003	2.7
135.11696	23.9
143.08525	15.6
144.09370	3.0
145.10107	54.7
147.11658	34.4
148.80093	2.2
149.13237	19.1
155.08553	3.8
157.10060	22.3
158.11061	2.3
159.11653	32.1
161.09604	2.9
161.13235	27.5
163.14801	12.8
169.10069	8.6
171.11642	20.3
173.13190	40.5
175.11093	3.1
175.14777	30.5
177.08961	3.0
177.12759	2.2
177.16359	9.4
183.11594	3.7
185.13240	20.8
187.14789	30.8
189.16335	36.1
191.14296	17.9
196.12448	2.4
197.13177	8.9
199.14734	24.4
201.16324	54.0
203.17944	34.4
205.15781	3.5
211.14848	7.5
213.16321	19.2
215.17921	11.1
219.17374	4.2
221.15320	4.1
225.16258	7.0
227.17937	4.9
239.17819	4.1
241.19444	9.8
247.16920	8.7
253.19460	7.5
267.20837	3.3
385.42902	2.4
391.33414	8.3
405.31317	14.7
409.34796	3.7
421.30777	2.8
423.32349	11.7
433.30719	8.5
451.31656	18.0
469.31973	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3309
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.14957	3.4
55.05486	16.4
57.47403	3.1
63.91984	3.2
64.44406	2.9
67.05486	16.6
69.03397	3.8
69.07054	26.0
71.54166	3.9
79.05460	21.2
81.07041	42.1
83.08572	7.3
83.81193	3.6
91.05450	24.4
92.09261	10.2
92.63781	4.2
93.07028	54.7
95.04940	14.6
95.08580	59.5
105.07009	65.4
107.08582	50.6
109.06459	4.6
109.10143	34.4
117.06997	8.6
119.08562	100.0
119.21273	3.7
121.06483	6.1
121.10114	49.0
123.11661	5.5
128.06194	5.6
129.07011	6.5
131.08524	34.6
133.10098	65.1
135.08002	7.3
135.11667	19.1
142.07751	6.1
143.08531	23.2
145.10078	62.2
147.07990	16.7
147.11676	45.6
149.09579	4.1
149.13199	20.9
155.08554	4.4
156.09331	8.0
157.10123	38.2
158.10924	4.8
159.08009	5.2
159.11653	47.8
161.09578	30.7
161.13240	33.7
163.11099	4.3
163.14783	19.3
169.09996	8.3
171.11610	23.5
173.09587	5.4
173.13251	31.5
175.11153	15.9
175.14818	37.1
177.12633	4.0
177.16356	23.3
182.10901	5.7
184.12485	3.9
185.13257	18.8
187.11140	7.9
187.14764	51.5
189.12738	14.4
189.16364	86.1
191.17883	7.5
197.13129	3.7
199.14699	29.5
201.12663	4.9
201.16309	24.8
203.14296	23.6
203.17918	27.0
207.13724	5.0
211.14868	5.8
213.16338	8.9
215.14310	23.9
215.17975	13.6
217.15840	16.4
221.15344	7.2
229.15869	3.7
235.16811	7.3
241.19447	4.3
247.16959	5.4
249.18430	3.9
279.17899	3.9
393.31287	15.7
405.31378	20.8
421.30753	6.5
423.32611	56.0
425.33707	5.0
432.22867	3.8
433.30829	7.1
439.32083	6.4
441.33643	5.1
451.32037	29.4
469.33078	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3311
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.41903	1.3
53.03915	2.0
55.01865	2.1
55.05499	17.4
65.29223	1.7
67.05491	24.0
69.03410	3.4
69.07048	30.0
71.04977	1.9
75.33855	1.5
79.05474	23.6
81.06593	3.0
81.07037	57.5
83.04965	4.0
83.08589	9.1
91.05459	31.5
92.08708	3.5
92.09262	3.7
93.07024	66.6
95.04933	7.5
95.08582	71.5
97.06516	12.8
97.10151	3.0
105.03358	3.7
105.07005	65.5
106.32352	1.9
107.08578	83.9
109.06503	11.8
109.10130	36.9
111.08080	11.6
117.06995	9.5
119.08557	100.0
121.06446	3.4
121.10120	45.8
123.08016	8.5
123.11699	11.6
125.09609	10.7
129.06987	11.0
131.08556	34.2
133.10106	57.0
135.08061	2.8
135.11659	19.4
137.09596	14.7
137.13281	2.4
141.06908	2.3
142.07704	6.6
143.08545	21.7
144.09286	2.0
145.10109	66.8
147.08032	2.2
147.11668	35.7
149.09544	2.3
149.13240	14.5
151.11153	2.0
155.08492	9.9
156.09297	2.9
157.10100	37.6
159.11659	33.5
161.09572	6.9
161.13246	25.9
163.11121	2.2
163.14766	15.5
169.10095	18.7
170.10863	3.3
171.11655	28.4
173.13234	41.7
175.11171	2.1
175.13362	3.3
175.14789	58.5
175.16165	2.7
177.09003	2.2
177.16350	9.2
181.10071	3.9
183.11674	12.8
185.13176	21.2
187.14812	35.4
189.12631	2.0
189.16321	19.2
191.10506	2.1
191.14322	6.4
195.11623	3.2
197.13277	17.4
199.14774	31.1
201.16353	33.1
203.10669	1.6
203.14325	4.1
203.17920	7.7
205.15956	2.4
209.13220	7.7
211.14911	12.5
213.16342	22.7
215.17841	6.7
217.12305	1.9
223.14668	7.1
225.16408	12.6
227.17923	12.9
229.19452	2.0
231.17487	3.8
237.16443	3.8
239.17876	17.4
241.15683	2.4
241.19484	21.4
245.15396	6.0
247.16844	2.3
251.17853	3.4
253.19417	12.0
255.20988	6.4
259.16943	6.9
263.18011	2.2
267.20984	3.8
273.18500	2.7
281.22504	7.5
285.18484	6.8
293.22458	1.9
297.25702	2.0
299.19800	3.3
309.25653	2.7
339.22977	2.9
343.77536	2.1
353.24261	1.8
365.24640	2.3
387.30142	4.1
405.31522	35.1
407.33066	14.4
421.30933	3.0
423.32538	10.0
433.31024	12.5
451.32025	43.7
469.33136	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93774	0.6
53.75058	0.7
55.05504	1.5
57.03436	1.0
61.02921	1.0
67.05508	0.9
69.03407	3.2
69.07042	1.1
70.06577	1.6
71.04984	1.2
79.05478	1.5
81.03392	1.5
81.07029	4.2
83.04948	1.0
85.02872	8.3
85.06538	1.8
86.03288	0.8
91.05502	1.3
92.08943	1.6
93.07000	1.7
97.02872	3.4
97.06512	0.7
98.98402	0.9
105.03375	1.2
105.06968	1.0
105.93884	0.7
107.08580	3.2
109.02863	1.1
109.06495	1.6
109.10149	1.3
111.08088	1.2
121.10075	1.3
125.09567	1.1
127.03863	1.0
127.07533	0.9
131.08557	1.0
137.06001	0.8
145.10075	0.8
151.11171	1.0
157.45517	0.8
163.03929	0.9
175.77075	0.7
203.05284	3.8
253.14291	1.2
253.17824	0.9
259.07849	3.8
268.98688	0.8
289.11725	3.2
307.12857	3.1
347.09427	69.0
469.13089	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	469.3312
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
50.21267	2.5
50.96205	2.4
51.02372	2.5
53.16877	2.4
55.05505	20.9
57.03408	2.9
57.07063	26.6
67.05492	30.9
69.03416	25.8
69.07049	31.0
71.08615	5.6
72.75220	2.7
79.05477	26.2
81.07030	51.9
83.04955	6.0
83.08595	12.1
85.10154	7.2
89.06016	14.7
91.05446	31.5
92.08829	10.6
92.09344	4.2
93.07019	53.1
95.04922	14.2
95.08584	77.9
97.06489	19.5
97.10170	5.3
105.07002	51.5
107.08564	81.8
109.06493	16.3
109.10131	43.6
111.08059	12.3
117.06985	11.7
119.08572	93.5
121.06467	5.3
121.10110	50.7
123.08008	6.3
123.11708	6.4
125.05920	3.3
125.09568	18.1
125.57704	3.0
131.08548	27.5
133.10103	64.5
135.11632	22.8
137.09590	4.1
143.08546	21.1
145.10104	56.1
147.07974	3.2
147.11662	34.8
148.33675	2.8
149.09579	18.5
149.13243	12.3
157.10126	16.3
159.11636	38.1
160.14607	3.0
161.13225	18.1
163.11180	5.8
163.14778	6.8
169.10191	3.4
171.11662	17.2
173.13217	25.0
175.11179	3.0
175.14861	20.7
177.09158	4.2
177.16322	5.4
180.34814	2.9
183.11664	3.4
185.13243	17.7
187.14752	26.7
189.16356	19.7
197.13211	6.7
199.14795	23.8
201.16348	17.1
203.17923	14.4
211.14862	5.5
213.16347	18.3
215.17897	100.0
223.14796	3.6
239.17752	3.9
239.64838	3.3
255.21011	12.5
261.18393	37.9
267.21017	4.8
279.21021	3.4
283.17468	4.2
367.26465	3.1
405.31351	20.0
409.34183	3.2
423.32614	25.3
451.31442	7.0
452.36115	4.4
469.33078	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3079
Annotation	1-Myristoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.34208	0.9
55.05512	1.5
57.03423	1.1
57.07059	5.3
60.08156	23.1
66.85899	0.9
67.05486	2.5
69.07042	2.1
71.07358	8.6
71.08620	2.3
79.05470	1.9
81.07027	6.5
86.09692	72.0
89.06007	1.3
91.05460	1.5
93.07016	2.1
95.08592	5.4
97.06503	1.0
98.98455	4.4
104.10728	98.0
105.07031	2.1
107.08554	1.7
109.10110	1.6
119.08586	2.0
124.99986	44.7
125.68385	1.0
126.36671	1.0
128.54442	1.0
133.10106	1.7
140.97774	1.1
143.01051	1.1
145.10121	1.1
145.42160	1.0
184.07310	100.0
285.24231	4.3
345.23343	1.3
450.29462	7.9
468.30838	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	468.308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24537	2.5
55.05513	5.8
57.03432	3.9
57.07066	71.2
58.03861	2.7
60.57222	2.5
62.06081	24.1
67.05490	15.2
69.07046	17.0
71.08613	51.9
73.22939	3.1
79.05495	3.2
81.07042	7.9
83.08598	7.1
85.10175	20.4
89.05997	45.7
91.05511	3.5
92.09207	16.2
93.07010	5.2
95.08582	21.1
98.98485	11.7
109.10130	12.7
112.94695	3.2
121.10057	3.9
133.08566	14.8
155.01036	6.7
274.51971	3.5
283.17465	14.1
296.29480	18.6
327.28870	100.0
389.08240	3.1
450.29898	5.3
451.36246	17.2
468.38492	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	468.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.4
55.05493	2.9
57.07045	1.5
67.05495	1.4
69.03422	6.6
69.07052	14.9
71.04971	1.4
74.73562	0.7
76.62080	0.7
79.05470	12.1
81.03393	18.6
81.07039	5.0
83.04963	0.8
83.08591	1.5
85.02889	6.3
91.05457	11.3
92.09169	0.8
93.07018	25.6
95.04957	10.0
95.08584	4.8
97.02855	10.0
97.06506	0.9
99.04414	1.4
105.03366	100.0
105.07008	7.2
107.08568	31.9
109.02866	10.1
109.06516	1.6
109.10142	1.7
119.08559	3.9
119.70555	0.8
121.10112	20.5
123.04365	5.5
123.08008	0.9
127.03881	4.2
133.10069	1.0
137.41112	0.9
149.13219	31.8
159.11719	1.0
173.09560	0.8
173.13092	0.7
249.07536	15.4
267.08615	10.7
347.50262	0.8
365.99496	0.8
431.54034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.4
55.05493	2.9
57.07045	1.5
67.05495	1.4
69.03422	6.6
69.07052	14.9
71.04971	1.4
74.73562	0.7
76.62080	0.7
79.05470	12.1
81.03393	18.6
81.07039	5.0
83.04963	0.8
83.08591	1.5
85.02889	6.3
91.05457	11.3
92.09169	0.8
93.07018	25.6
95.04957	10.0
95.08584	4.8
97.02855	10.0
97.06506	0.9
99.04414	1.4
105.03366	100.0
105.07008	7.2
107.08568	31.9
109.02866	10.1
109.06516	1.6
109.10142	1.7
119.08559	3.9
119.70555	0.8
121.10112	20.5
123.04365	5.5
123.08008	0.9
127.03881	4.2
133.10069	1.0
137.41112	0.9
149.13219	31.8
159.11719	1.0
173.09560	0.8
173.13092	0.7
249.07536	15.4
267.08615	10.7
347.50262	0.8
365.99496	0.8
431.54034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
58.06578	0.3
60.07858	0.4
60.08150	10.0
67.05490	0.3
67.43482	0.2
69.07047	0.3
71.07352	2.6
79.05458	0.4
81.07035	0.5
85.02899	1.1
86.09689	45.9
91.05473	0.3
92.08769	1.2
92.09418	0.4
92.63718	0.2
93.07043	0.4
95.08571	0.3
98.98441	3.1
104.10720	4.7
105.06992	0.3
119.08598	0.4
124.99980	32.8
143.01007	0.3
184.07304	100.0
220.98747	0.2
450.22498	1.3
468.23434	6.9
470.86749	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86238	0.6
53.03932	4.4
53.96773	0.7
55.01866	0.8
55.05503	5.6
57.03420	4.6
57.07055	1.0
58.64897	0.7
59.04982	1.2
61.02911	4.5
67.05499	7.8
69.03415	14.1
69.07059	6.8
69.21537	0.7
71.04974	10.8
73.02922	0.8
73.06509	1.4
75.04456	4.1
79.05470	20.7
81.03394	13.5
81.07040	15.5
83.04957	8.0
83.08609	1.9
85.02888	13.8
85.06527	1.4
86.09669	5.5
87.04448	5.8
91.05453	14.9
93.07021	100.0
95.04946	8.9
95.08591	9.3
97.02868	10.6
97.06513	4.6
97.10120	1.1
99.04418	3.0
99.08057	1.6
104.10725	1.4
105.03358	4.4
105.05492	3.6
105.07017	13.9
107.01134	0.7
107.04945	3.2
107.08579	23.6
109.02865	4.6
109.06498	4.7
109.10145	9.6
111.04425	1.4
111.08069	5.2
113.05988	3.7
115.03903	1.0
117.06992	0.9
119.08559	14.6
121.06474	1.5
121.10119	85.0
123.08056	2.9
123.11703	3.2
124.99970	4.3
125.06006	1.3
125.09624	5.4
125.10460	0.6
127.03928	5.6
127.07530	1.3
127.11186	8.0
131.07027	1.2
131.08537	8.7
133.10103	5.4
135.08026	1.2
135.11644	1.7
136.07536	1.1
137.05934	3.3
137.07986	1.2
137.09563	1.7
139.11182	5.5
143.10683	4.7
145.04939	1.2
145.10100	3.4
147.11687	3.3
149.09595	26.8
149.13249	7.1
151.11150	1.2
152.07034	1.1
153.09117	1.0
155.10649	1.6
157.10136	1.4
159.11676	1.3
161.06007	0.9
164.06943	1.2
167.10641	18.2
167.14293	9.6
169.06383	1.0
175.11200	1.2
177.05396	1.1
184.07323	10.2
191.14377	1.0
205.15831	1.0
211.92973	0.7
215.07050	1.1
217.15872	3.2
235.16887	5.1
253.17957	8.7
259.09680	3.1
270.24527	0.8
271.15073	0.8
271.18863	5.2
289.20004	1.7
293.13763	4.0
304.16452	0.8
311.14859	26.3
394.83936	0.8
440.07248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37703	0.2
53.03926	0.4
55.01855	0.4
55.05495	1.3
56.05025	0.7
57.03421	1.9
58.06593	1.4
58.16409	0.2
59.25695	0.3
59.55556	0.2
60.08151	22.9
61.02900	0.3
67.05478	2.3
69.03419	2.3
69.07041	1.4
69.59548	0.3
70.03764	0.4
70.06578	1.2
71.04981	0.5
71.07353	7.8
73.02902	0.4
73.27546	0.3
73.90974	0.2
77.63206	0.3
79.05466	2.1
81.03387	2.4
81.07038	2.7
83.04967	1.3
83.08604	0.6
85.02408	0.5
85.02888	6.7
86.09689	72.2
87.04462	0.4
91.05476	2.8
92.08715	0.6
92.09264	0.6
93.07018	2.3
95.04942	1.5
95.08606	1.8
97.02851	1.2
97.06554	0.4
98.98440	4.7
104.10724	100.0
105.03405	0.5
105.07020	2.3
105.15852	0.3
107.08563	1.4
109.02839	0.5
109.10131	1.7
111.08085	0.3
111.11739	0.4
112.07555	0.3
119.08561	1.8
121.10114	1.5
124.99979	43.3
125.09624	0.4
127.03859	0.3
129.07030	0.4
131.08514	0.6
133.10091	0.5
137.02341	0.6
137.09601	1.6
139.11194	0.6
145.05019	0.3
145.79747	0.3
147.11688	0.5
155.02380	0.5
157.10107	0.6
157.12213	0.6
161.06010	0.5
165.09106	1.2
166.02277	0.3
166.09502	0.4
167.10600	0.4
169.06461	1.2
171.77037	0.3
172.13866	0.3
184.07304	95.8
187.07574	0.5
193.12140	0.4
197.06036	0.6
213.09131	0.4
215.07042	1.4
230.05276	0.4
253.17882	0.3
258.10956	0.3
259.09576	2.5
303.05029	2.3
304.05228	5.6
305.05478	5.4
306.05692	8.2
356.81247	0.3
401.41760	0.3
450.22360	5.7
459.88910	0.3
468.23499	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	468.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
55.05489	0.5
57.03428	9.0
61.02906	1.3
62.40042	0.4
67.05485	0.5
69.03424	3.9
69.03727	0.5
70.06573	1.1
71.01311	0.5
71.04967	0.7
72.08145	6.4
73.02907	0.7
73.08444	0.5
75.04451	2.9
77.35499	0.5
79.05452	2.3
81.03388	1.0
83.05004	0.6
84.08131	2.4
85.02887	12.6
86.09695	2.1
91.05456	9.7
95.04951	0.7
97.02859	4.8
98.97566	0.9
103.05460	0.7
104.76907	0.5
107.04943	6.9
109.02840	0.7
110.07146	5.0
116.98574	0.6
117.38947	0.5
119.04913	33.0
121.06477	4.7
123.04404	2.4
125.05973	1.3
127.03864	3.0
131.04906	1.3
135.04376	11.0
136.05147	0.9
136.06169	0.5
136.07535	1.1
137.05949	100.0
145.04938	1.3
145.06401	0.9
147.04378	54.6
149.05943	7.6
151.07483	4.3
152.04643	15.9
163.03856	3.7
163.07529	3.1
164.04608	1.1
165.05406	4.1
166.06163	0.9
167.06995	16.7
175.07512	4.7
178.06143	0.6
179.05431	0.9
179.06990	27.7
197.08043	8.5
223.09647	1.0
235.09558	1.8
235.97441	0.6
237.02870	1.0
237.11183	1.2
241.10649	29.3
251.97101	0.7
253.10727	2.4
255.12201	1.3
271.11673	14.9
305.83588	0.6
414.20877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41072	0.3
53.03759	0.3
53.03944	4.4
54.78698	0.3
55.01858	0.3
55.05508	0.4
57.03431	0.7
69.03062	0.5
69.03414	7.7
71.04978	0.7
73.02879	0.3
75.14890	0.3
79.05482	5.0
81.03403	16.0
85.02894	8.2
92.08836	0.4
95.04961	5.2
97.02876	9.9
97.06512	0.4
99.04431	2.3
103.05443	0.4
105.03378	100.0
107.04942	4.2
109.02865	10.3
109.10113	0.4
121.06502	1.3
123.04415	9.9
127.03895	6.0
127.44461	0.3
133.06509	0.4
145.04977	1.4
149.05971	2.0
151.85239	0.3
152.80807	0.4
153.97331	0.3
161.05882	1.1
173.05984	0.7
178.07076	0.4
183.61099	0.4
184.07314	0.7
189.05437	3.6
215.07004	1.8
226.69426	0.4
231.06627	0.4
231.10091	0.4
249.07538	18.8
259.09601	1.7
267.08569	12.8
422.27924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34855	1.0
53.03942	7.3
55.01871	2.9
55.05500	2.3
57.03434	1.7
60.51627	1.2
67.05492	9.6
69.03409	10.5
69.07051	8.4
71.01332	6.3
79.05476	38.8
79.14582	1.1
81.03395	18.6
81.07051	1.8
83.04965	5.7
85.02891	7.6
86.09691	2.9
91.05476	2.6
92.08739	1.3
93.07046	2.4
95.04958	23.8
95.08609	1.5
97.02879	13.3
97.06511	24.1
105.03375	100.0
107.04941	51.3
107.08578	1.5
109.02859	12.8
111.04447	2.9
115.05440	2.5
121.06508	16.2
123.04427	10.6
125.05959	2.7
127.03879	2.0
129.07011	1.9
131.08549	2.1
135.04398	45.0
141.06981	6.7
142.07715	1.5
143.08559	3.0
147.04449	2.4
149.05930	16.7
160.05182	13.9
161.05952	45.4
163.03865	48.1
164.09819	1.3
167.07013	64.5
167.08490	4.8
169.06506	5.7
169.11272	1.4
171.08052	1.6
173.05917	8.0
174.06822	1.5
174.41086	1.3
175.03903	3.1
184.07315	5.6
185.09608	2.8
187.07565	5.8
189.01978	2.1
189.09076	44.4
195.08069	8.3
197.05966	1.7
200.04549	2.0
207.02910	2.1
213.09033	12.1
215.06992	41.5
217.08479	9.5
231.10095	6.8
241.08524	2.5
249.07529	16.9
259.09607	72.5
267.08545	5.3
277.10626	8.5
298.27243	1.4
302.27734	1.4
305.10284	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10233	0.7
53.03945	1.2
55.01865	5.0
55.05508	2.1
57.03427	3.8
59.07164	0.7
67.05492	9.2
69.03421	4.8
69.07053	9.8
71.01334	4.2
71.04975	1.5
79.05491	9.3
81.03414	1.6
81.07071	1.2
83.04971	7.2
85.02890	5.6
86.09681	1.5
91.05485	3.5
92.09289	1.9
92.83794	0.8
93.03368	1.0
93.07024	1.9
95.04951	13.4
95.08595	1.4
97.02838	1.7
97.06510	39.5
99.04414	1.4
103.05453	1.5
104.10735	1.0
105.03376	7.5
105.07014	4.3
107.04935	1.1
107.08578	1.0
109.02873	4.2
109.10152	5.4
111.04438	4.1
115.05447	3.9
117.03371	3.4
119.08586	2.1
121.06531	1.7
123.04404	7.8
125.09613	1.0
127.03905	1.0
128.06204	4.5
129.05450	1.4
129.06952	8.4
131.04904	1.6
131.08549	2.1
133.06483	1.0
134.94534	0.9
135.04416	8.0
137.09622	9.0
139.03883	1.1
141.06964	7.1
142.07758	1.5
143.04924	3.1
143.08519	8.7
145.02831	1.1
145.06487	1.7
147.04408	3.8
147.07950	1.0
149.05969	5.7
152.06024	8.1
152.07104	4.2
153.06950	3.5
154.07896	1.1
156.05698	1.4
157.06451	15.4
157.10056	8.4
160.05164	12.7
161.02370	1.5
161.05946	64.1
163.03871	71.9
165.05534	1.0
165.06978	1.2
165.09053	1.8
167.08531	25.3
169.06473	6.8
169.10011	2.7
170.07320	1.5
171.08014	9.0
173.05940	17.8
174.06732	13.0
175.03932	7.0
175.07507	18.7
176.04677	1.4
176.18842	0.9
177.05486	3.4
177.06975	2.0
180.05585	1.1
181.04924	4.8
181.06506	4.5
183.07927	1.2
184.05150	18.8
185.05945	15.2
185.09564	12.0
186.06711	1.2
187.07507	11.4
189.01834	5.3
189.05453	7.3
189.09052	30.4
195.08011	38.9
197.05916	8.5
198.06726	7.9
199.07420	8.0
200.04631	1.6
201.09125	5.2
202.06261	1.7
203.06999	12.8
203.10593	6.2
205.08479	1.0
207.02885	4.8
209.08141	1.1
211.07578	1.1
212.04659	1.8
213.05739	2.9
213.09070	63.7
215.06993	29.0
215.10635	4.8
217.08578	17.5
223.07562	7.1
226.06203	7.0
229.08600	1.0
230.05739	1.2
231.10115	23.1
235.85959	0.9
241.08539	40.6
259.09589	100.0
277.10504	6.4
306.13385	4.1
309.13354	3.4
427.12067	1.0
433.14951	1.8
451.15771	1.4
468.21619	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	17.5
57.03429	18.1
57.06810	3.4
57.07067	61.2
67.05497	27.7
69.07066	16.8
71.08618	31.8
79.05474	12.9
81.06593	3.0
81.07038	46.6
83.04966	3.9
83.08587	14.2
85.10169	19.5
91.05442	15.6
92.08788	19.7
92.09409	5.4
93.07013	30.1
95.08580	65.7
97.06469	3.7
97.10122	9.0
98.98444	82.1
105.07007	36.2
107.08581	39.5
107.69060	2.0
109.10139	34.9
111.08068	3.2
116.99483	2.3
117.06969	4.3
119.08553	53.5
121.10139	18.9
123.07986	3.1
123.11667	11.7
125.09599	4.5
131.08528	16.5
133.10126	34.2
135.11685	12.2
137.00018	2.7
143.08542	4.0
144.09305	2.8
145.10114	33.5
147.11612	16.8
149.13304	4.4
155.01022	59.1
155.08528	2.5
157.10057	9.8
159.11673	30.2
161.13202	10.0
163.14806	4.4
171.11713	2.9
173.13222	12.0
175.14772	11.0
185.13289	3.5
187.14769	18.0
189.16318	29.8
197.13118	3.0
199.14864	5.3
200.15948	2.7
201.16376	34.9
203.17960	9.6
205.15924	2.9
211.44505	2.1
213.16364	10.7
215.17947	22.1
217.15849	3.1
219.17361	13.4
239.23709	2.5
249.18523	4.4
261.18442	5.2
267.90582	2.6
275.19916	2.5
299.20044	3.9
313.27341	100.0
340.96783	2.4
389.31870	4.4
401.99667	2.7
407.32782	20.7
424.93549	2.6
449.26474	19.0
467.29715	3.7
467.35349	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	467.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	18.3
57.07049	4.2
67.05495	20.9
69.07049	12.0
79.05472	17.9
81.07032	36.6
83.04964	100.0
90.94748	2.2
91.05483	21.0
92.08712	13.4
92.09354	9.2
93.07024	42.1
95.04959	13.8
95.08003	3.3
95.08584	63.2
103.05414	2.0
105.07020	53.9
107.08575	48.3
109.06494	4.3
109.10146	28.2
111.08080	3.1
117.06974	3.9
119.08559	76.6
121.10123	36.5
123.08067	3.1
123.11685	10.3
129.07014	2.8
131.08524	21.0
133.10098	48.9
135.11679	13.6
139.09410	2.1
143.08537	10.1
144.09370	2.4
145.10091	38.5
147.11673	28.5
149.13300	7.3
157.10098	8.7
159.07887	2.4
159.11653	31.5
161.13213	38.6
163.14781	10.1
169.10039	3.2
171.11642	4.7
173.13242	19.4
175.14760	21.7
177.16321	4.4
185.13286	2.6
187.14784	22.2
189.16348	48.2
199.14847	5.1
201.16347	47.0
203.17952	14.6
205.15720	3.3
209.13184	2.6
213.16362	4.8
215.17937	20.7
217.15846	5.0
227.18033	3.5
241.19545	3.2
255.21013	3.5
349.28821	4.7
389.32001	2.9
407.33176	26.1
409.30777	7.9
467.35349	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	467.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	17.2
57.07048	4.7
60.80802	2.9
65.86037	2.8
67.05488	35.4
69.07046	16.7
79.05469	19.0
81.07033	56.0
83.08586	12.7
91.05456	28.2
93.07024	53.5
95.08580	80.4
98.26237	2.9
105.07010	52.7
107.08585	86.0
109.06496	4.1
109.10136	42.5
111.08067	6.2
117.06997	7.0
119.08563	100.0
119.14896	3.5
121.06506	5.3
121.10123	38.5
123.08035	6.2
123.11694	13.5
125.09605	13.4
131.08560	37.7
133.10112	47.8
135.08104	4.7
135.11694	21.7
137.09654	3.1
143.08546	11.9
145.10110	62.7
147.11667	35.6
149.13277	5.4
155.08560	4.2
157.10112	18.4
158.10822	3.2
159.11673	41.3
161.09689	3.5
161.13217	18.1
163.14821	5.8
171.11613	6.7
173.13245	21.0
175.14758	34.6
177.16380	18.7
183.11742	4.8
185.13190	14.4
187.14799	33.9
189.16344	47.7
191.10675	5.9
195.25101	4.0
199.14806	12.2
201.16399	33.3
203.17899	14.4
205.15862	7.8
213.16347	6.6
215.17999	24.3
217.15883	5.9
217.56201	3.8
219.17393	5.8
227.17982	6.8
229.15645	5.4
231.17276	3.6
241.19533	7.0
261.18527	12.4
280.70840	3.9
389.31891	15.3
407.32953	56.6
434.59424	3.7
449.34027	12.7
467.35599	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	467.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
55.05511	17.8
55.42673	1.6
57.07065	3.5
57.09418	1.6
61.02917	3.6
62.60570	1.7
67.05492	23.5
69.07059	14.2
69.95466	1.8
70.62647	1.6
71.08602	3.0
77.27625	1.9
79.05463	11.8
81.07040	38.1
83.04968	100.0
83.08579	4.3
83.33845	2.0
89.68260	1.9
91.05467	18.6
93.07024	36.9
95.04933	11.4
95.08579	55.1
105.07018	50.0
107.08582	54.8
109.06520	4.8
109.10147	30.6
111.08090	3.6
117.07017	4.6
119.08568	70.0
121.10125	32.7
123.08029	12.1
123.11683	11.5
129.07002	2.7
131.08542	25.2
131.70709	2.3
133.10115	44.4
135.11659	18.8
142.07800	2.6
143.08511	10.4
145.10101	35.4
147.11681	35.0
149.13232	7.4
150.87578	2.0
157.10129	14.5
158.10739	2.0
159.11656	33.2
161.13220	40.6
162.22787	1.9
163.11209	2.5
163.14777	12.4
171.11609	9.3
173.13203	25.2
175.14842	21.9
177.16354	8.4
183.11812	2.0
187.14799	19.2
189.14764	4.0
189.16347	50.8
191.17917	2.5
199.14799	9.7
201.16330	42.9
203.17937	18.1
205.15855	3.3
213.16338	14.3
215.17891	22.3
217.15825	8.8
227.17772	3.6
231.17358	2.7
239.17833	2.0
241.19536	2.6
255.20946	2.4
261.18597	2.8
283.24252	2.3
297.04111	2.2
325.28970	3.2
349.28775	3.2
389.31924	3.7
407.32983	21.4
409.30502	5.8
449.33701	3.1
467.35156	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3154
Annotation	Stellettin K
Peak:m/z	Relative Intensity
50.42866	1.6
54.81589	1.9
55.05498	13.2
65.03892	1.7
67.05488	13.0
69.03408	2.1
69.07050	13.1
72.66985	1.7
76.04440	1.9
79.05470	15.4
81.07034	43.9
82.18889	1.8
83.04967	7.5
83.08604	3.2
91.05452	26.6
92.08669	2.6
92.09187	8.7
93.07021	36.9
95.04956	3.6
95.08589	31.7
97.06477	3.1
105.03358	8.0
105.06366	3.7
105.07015	64.0
107.08582	51.5
109.06525	8.0
109.10143	19.3
111.08087	2.7
117.06974	13.3
119.07710	4.4
119.08558	100.0
121.06490	12.1
121.10121	23.6
123.08066	4.0
123.11709	2.9
129.06993	11.4
130.07784	2.7
131.08545	38.7
133.10117	45.0
134.87457	2.1
135.08041	13.6
135.11655	10.0
137.05930	2.2
137.09566	2.0
141.06987	2.5
142.07790	7.8
143.08548	27.2
144.09279	3.2
145.06471	8.1
145.10101	73.6
147.08002	23.2
147.11668	34.9
149.09572	6.2
149.13202	8.0
155.08556	7.6
156.09312	4.3
157.10120	31.1
158.10884	3.1
159.08063	16.5
159.11649	43.8
161.09604	26.9
161.13260	18.8
163.11194	8.2
163.14755	4.0
169.10115	11.1
170.10889	4.0
171.11642	21.9
172.08849	2.4
173.09572	14.2
173.13219	35.9
175.11134	17.4
175.14795	35.7
177.12643	2.4
177.16295	2.8
181.10068	3.4
182.10887	3.5
183.11646	10.5
185.13174	26.3
187.11142	8.8
187.14795	44.7
189.12701	18.0
189.16327	13.5
191.14282	8.6
193.12033	2.2
195.11659	9.8
197.13268	9.7
199.14771	25.0
201.12682	11.7
201.16347	44.1
203.14301	27.4
203.17929	3.9
207.13840	3.6
209.13075	2.2
211.14798	11.1
213.16318	11.8
215.14287	34.2
215.17818	4.1
217.15836	9.8
219.13647	3.7
221.13374	2.4
221.15343	10.3
223.14886	2.7
227.14278	2.6
227.17937	4.7
229.15828	11.3
229.19354	2.8
233.15353	9.8
235.16861	2.8
245.15355	2.9
247.16873	8.5
251.17834	2.8
257.15411	3.3
257.19095	2.2
267.21097	3.5
310.54630	2.1
385.28647	2.3
391.30057	14.4
403.30133	16.4
419.29211	4.8
421.30902	38.6
423.32697	3.3
431.28928	3.7
437.30188	9.1
439.31671	2.4
449.30414	24.7
467.31577	42.0
490.56406	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.4
54.01050	0.4
55.01847	0.8
55.05491	0.8
57.03428	14.6
57.07061	0.7
58.10194	0.4
59.04982	2.4
60.04507	0.8
61.02914	3.2
67.05481	4.8
69.03413	45.4
69.07058	3.1
71.04976	0.5
73.02891	3.5
75.04443	0.8
79.05479	4.6
81.03403	2.8
81.07035	100.0
83.04967	1.6
83.08622	0.4
85.02887	41.7
85.06534	0.9
85.43977	0.4
87.04445	28.3
91.03924	0.8
91.05459	1.6
93.07032	3.2
95.04936	0.5
95.08584	13.7
97.02866	35.4
99.04433	2.0
103.03934	1.0
105.03385	3.0
105.07030	1.9
107.04929	0.4
107.08569	3.0
109.02856	3.1
109.10154	2.7
111.04388	0.8
111.59063	0.4
115.03904	32.8
119.08595	0.6
121.06479	0.6
121.10139	1.0
123.04439	0.4
123.11683	0.9
127.03889	6.7
131.08577	0.6
133.04945	27.2
133.10092	0.8
135.11676	0.8
137.13228	69.8
145.04945	6.4
145.10072	0.8
147.04352	0.5
147.11670	0.6
149.13280	0.6
150.07613	3.8
157.87134	0.4
159.11702	0.7
163.05986	3.0
169.04945	0.8
177.12672	0.5
182.50580	0.4
187.72487	0.4
207.18881	0.4
215.17993	0.7
218.99873	0.4
223.05997	0.7
241.06981	0.5
247.47020	0.4
251.20012	1.8
259.08105	2.9
269.17395	2.1
269.21063	2.1
277.09256	2.6
295.10211	6.3
317.19574	3.7
340.74533	0.4
346.00739	0.5
373.73639	0.5
485.12802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24358	0.4
53.00299	0.4
53.03944	0.9
54.12675	0.4
55.05502	3.4
57.03425	5.6
57.07069	1.8
58.10873	0.4
59.04978	0.5
61.02912	0.9
63.41939	0.4
65.03889	0.4
65.23851	0.4
67.05490	8.3
69.03414	16.0
69.07052	5.5
71.04958	0.7
73.02899	1.9
75.04493	0.5
79.05473	8.4
81.03408	2.1
81.07037	100.0
83.04965	2.2
83.08606	2.1
83.58869	0.4
85.02885	14.8
85.06533	1.1
87.04452	9.5
88.34438	0.4
91.05464	3.2
92.08961	2.2
93.07015	7.1
95.04962	1.1
95.08585	19.7
97.02868	13.7
97.06500	1.0
99.04437	0.7
103.05448	0.6
105.03384	8.3
105.06986	2.2
107.08581	3.4
109.02872	1.0
109.06529	0.7
109.10170	3.9
115.03912	11.6
115.83601	0.5
117.07022	0.8
118.60418	0.5
119.08527	0.9
121.10110	3.4
123.04393	0.6
123.11704	1.8
127.03918	2.2
131.04915	0.6
131.08563	1.0
133.04919	10.1
133.10077	1.1
135.11642	1.1
137.05983	0.5
137.13235	10.8
145.04951	2.3
145.10072	0.7
147.11713	1.1
149.13228	3.6
150.07631	0.8
159.11667	1.9
161.13486	0.6
165.09178	0.5
177.12782	1.1
221.06940	0.5
241.06853	0.5
259.08154	0.8
269.17398	10.3
269.20438	0.6
295.10278	1.0
304.05490	0.6
378.37915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.5
53.03939	1.4
53.86502	0.2
54.96372	0.2
55.01867	0.6
55.05501	1.7
57.03172	0.4
57.03432	9.0
57.07061	2.5
59.04982	1.8
60.04511	0.5
61.02901	1.0
65.03930	0.3
67.05490	4.6
68.86566	0.2
69.03421	22.0
69.07060	6.2
71.04959	0.5
71.26188	0.3
73.02908	2.4
75.04463	0.6
79.05479	8.6
80.22977	0.3
81.03403	1.8
81.07042	100.0
82.07374	0.4
82.46400	0.3
83.04958	0.3
83.08620	0.4
85.02895	17.5
85.06554	0.5
87.04458	14.6
91.03905	0.4
91.05438	0.5
92.08803	0.8
92.09297	0.4
93.07031	2.2
95.04970	0.5
95.08590	23.2
97.02873	18.0
99.04431	0.4
103.03925	0.4
105.03376	5.4
105.07027	1.3
106.03687	0.4
107.08575	1.7
109.02882	1.4
109.10155	1.7
111.04469	0.4
111.08044	0.5
111.11750	0.3
115.03913	18.6
117.07030	0.3
119.08550	0.6
119.70265	0.3
121.10087	0.5
123.04416	1.1
123.11713	0.5
127.03883	2.4
131.08540	0.4
133.04955	17.6
133.10158	0.3
137.13243	14.6
139.07491	0.3
142.91179	0.3
145.04906	2.4
145.10089	0.3
150.07639	2.4
159.11803	0.3
163.03893	1.0
163.05960	0.5
164.04216	0.6
167.03389	1.8
168.03778	0.7
175.06050	0.3
179.14326	0.3
185.04385	0.3
241.07098	0.6
244.03912	0.3
259.08148	1.9
267.08667	0.6
269.17551	0.6
269.21027	1.2
277.09232	0.3
295.10150	2.5
303.08420	0.5
304.09158	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.6
53.03942	0.5
54.81561	0.3
55.01869	0.7
55.05506	1.6
57.03432	14.5
57.07058	2.0
59.04989	2.9
60.04509	0.7
61.02910	1.9
67.05491	6.0
69.03418	43.7
69.07063	2.2
71.04946	1.2
73.02892	2.9
75.04479	2.5
79.05471	4.2
81.03393	2.8
81.07042	100.0
82.07361	0.4
83.04939	1.5
83.08584	0.5
85.02892	41.8
85.06509	0.6
86.09728	0.4
87.04452	26.1
90.55822	0.4
91.03950	0.5
91.05470	1.5
92.08746	0.6
93.07040	2.8
95.04948	1.6
95.08586	13.9
95.09203	0.6
97.02876	35.0
97.06532	0.7
97.10116	0.5
99.04444	2.7
99.76834	0.3
103.03918	0.5
105.03367	2.0
105.07021	1.9
107.08572	2.2
109.02872	2.0
109.06477	0.4
109.10136	2.1
111.04465	0.6
115.03913	32.0
119.08558	2.1
121.02905	0.3
121.06469	0.4
121.10123	1.6
123.04394	0.5
123.11686	0.6
127.03887	5.4
131.08525	0.4
133.04947	27.8
133.10098	1.2
135.08090	0.4
135.11707	1.5
137.13239	69.7
139.03883	0.4
145.04942	6.9
145.10124	0.6
147.04295	0.4
147.11674	0.5
149.09590	0.4
150.07579	3.9
159.11710	0.5
163.05966	2.7
169.04929	0.7
198.14879	0.3
204.74701	0.3
215.18065	0.4
216.29524	0.4
223.06108	0.4
233.18864	0.5
241.06891	1.5
250.08015	0.4
251.19943	0.7
259.08133	3.3
269.17419	2.1
269.20993	1.7
277.09048	1.6
288.89240	0.4
295.10168	5.3
317.19614	3.4
466.19202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46449	0.3
53.03926	1.9
55.01855	0.9
55.05498	0.4
57.03425	3.9
60.87505	0.3
61.02892	1.6
69.03067	0.6
69.03411	10.4
71.04964	1.5
73.02904	0.5
79.05460	5.3
81.03394	3.9
81.07040	0.6
83.04951	2.3
85.02418	0.7
85.02885	12.4
85.06519	0.8
87.04437	0.6
91.05447	2.0
91.27471	0.4
92.09082	0.9
95.04924	3.1
96.82315	0.4
97.02891	3.7
99.04440	0.9
103.05435	4.6
105.03367	31.7
105.07029	4.9
107.04933	47.7
107.08570	0.6
109.02837	2.3
111.04420	0.8
114.36935	0.4
115.05426	2.6
117.06985	1.7
119.08553	0.6
120.05734	0.7
121.02861	3.5
121.06477	0.6
122.03200	0.9
123.04374	4.8
124.05183	1.9
125.05972	0.8
127.03872	2.1
129.05428	2.4
131.04875	2.1
133.06459	1.9
134.50627	0.4
135.08023	16.0
137.05920	2.3
139.03876	0.7
140.04294	0.5
145.07555	0.9
147.06477	0.7
149.05981	0.7
151.07396	0.4
152.04683	0.8
154.06204	2.1
163.07495	38.9
165.05470	0.8
165.07564	0.8
165.09021	0.8
167.06993	100.0
168.07581	1.0
178.23114	0.5
180.07777	3.3
181.08566	1.8
183.08607	4.5
183.77333	0.4
193.08583	4.9
195.10129	25.7
211.09631	5.0
212.10236	0.6
213.11169	35.3
249.07443	2.1
267.08539	6.4
287.14822	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01868	1.5
55.05498	1.0
56.96556	0.3
57.03422	0.8
57.07069	0.4
61.02910	0.3
62.70216	0.2
67.05488	1.7
69.03418	2.3
69.07056	1.4
70.06572	0.4
71.04968	0.4
77.03918	0.2
79.05476	3.7
81.03400	5.4
81.07038	3.2
83.04925	0.3
83.08640	0.4
84.96002	0.2
85.02905	2.5
85.06525	0.4
91.05455	2.3
92.08618	0.4
92.09192	1.2
93.07025	1.5
94.07343	0.3
95.04948	2.6
95.08590	1.7
97.02859	2.8
97.06525	0.3
98.05999	0.3
98.70979	0.2
99.04425	0.5
103.05466	1.2
105.03376	23.9
105.04501	0.8
105.07013	32.7
106.03748	0.3
107.04926	0.2
107.08578	1.3
108.04512	0.7
109.02871	2.8
109.06496	1.9
109.10144	1.5
111.08054	0.3
115.05407	0.2
117.07004	0.4
119.04838	0.2
119.08573	0.4
120.24622	0.3
121.06460	0.2
121.10107	1.4
122.03603	0.9
123.04382	1.7
123.08071	0.3
123.11629	0.4
124.05193	1.1
127.03893	1.3
131.04939	0.3
131.08548	0.4
133.06468	37.9
133.10097	0.5
135.11650	0.3
137.05956	44.8
145.02805	0.3
145.10094	0.4
147.04427	0.9
147.11633	0.9
149.13251	0.3
150.06712	0.3
151.07483	1.0
159.11642	0.9
165.09079	100.0
166.09395	0.2
167.03363	1.0
184.02383	0.2
191.08632	0.2
197.01146	1.0
215.02155	0.3
215.17935	0.2
249.07532	3.5
267.08484	0.9
269.17389	0.9
287.09021	1.1
304.05106	0.5
357.56854	0.2
431.13425	0.3
466.11536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.8
55.01876	6.6
55.05511	6.7
57.03430	15.1
59.04995	0.9
61.02918	14.9
65.00555	0.5
67.05502	2.4
67.56028	0.5
68.34483	0.7
69.03419	100.0
70.06582	0.6
71.04980	8.9
73.02893	4.2
77.33064	0.5
77.93991	0.6
79.05473	3.7
80.83118	0.6
81.03403	14.9
81.07021	0.8
82.91188	0.6
83.01348	1.0
83.04469	0.6
83.04970	31.3
85.02896	40.3
87.04452	8.9
91.03927	3.8
91.05428	0.7
92.09113	1.4
93.06935	0.7
95.04945	4.1
97.02877	45.6
99.04430	15.8
103.03937	6.5
105.03378	68.5
105.04499	1.9
105.06933	0.6
106.03715	4.5
107.04927	3.6
107.08553	1.0
109.02873	5.4
109.06480	0.7
111.04433	26.6
117.05452	2.4
119.08572	0.9
121.02872	2.3
123.04406	9.3
123.08054	0.6
127.03907	6.8
129.05457	31.5
137.05972	2.3
145.04948	13.2
147.06512	17.9
153.01817	0.8
157.10027	0.8
159.08112	0.8
165.07578	15.2
183.08623	51.4
208.16830	0.6
249.07603	1.0
267.08548	9.1
268.09436	1.0
269.09369	1.0
298.57034	0.7
305.06982	0.7
366.81149	0.7
375.29813	0.6
467.18945	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	2.3
53.03925	2.4
55.01864	3.5
55.05481	2.5
55.93507	6.2
57.03427	35.3
59.04979	7.1
61.02906	3.5
67.05489	1.4
69.03416	98.3
70.06529	1.3
71.04941	2.7
72.93777	2.4
73.02888	2.9
75.04452	3.1
79.05455	1.7
81.03383	10.3
81.07040	3.1
82.23077	1.4
83.04957	11.1
85.02891	79.7
85.06545	1.7
87.04449	61.5
91.00494	1.8
91.03921	2.0
91.05448	8.7
92.08909	5.6
95.04937	12.6
97.02869	61.2
99.04420	3.0
103.03902	2.4
105.03374	67.0
105.06995	12.4
107.04926	7.3
109.02850	6.3
111.04404	9.3
115.03909	47.5
115.04657	2.1
117.03329	1.5
117.06982	2.1
119.04906	11.6
119.08549	2.9
121.02843	73.1
121.06422	1.9
122.03176	31.2
123.04390	3.8
127.03860	9.9
128.96333	1.6
129.05449	9.4
131.08534	3.1
133.04929	36.6
133.06459	3.1
135.04372	3.5
135.08070	1.9
137.05954	100.0
139.03871	11.7
140.04251	6.9
141.06888	2.5
143.04855	2.7
145.04910	3.5
145.06587	1.7
146.97366	2.0
147.04407	7.1
149.06013	3.3
149.96098	1.9
150.96902	3.2
151.07513	22.4
155.07011	7.8
157.06441	2.0
159.08078	2.6
161.05951	11.3
163.03877	2.6
165.05449	40.9
165.07558	2.5
169.04987	1.7
174.85217	1.9
175.07460	3.2
175.97670	1.8
177.05505	3.0
179.06972	26.0
187.07510	8.0
191.06963	10.5
194.07335	2.5
195.06471	2.2
197.08138	2.5
203.06958	7.7
205.08577	7.5
205.96576	3.6
214.99901	2.0
215.06987	3.7
221.07982	7.9
223.07462	11.8
223.97665	7.3
224.98431	2.4
233.07996	18.5
251.09105	28.9
251.16240	2.0
251.97096	2.7
252.98012	1.9
259.08035	1.8
263.08838	1.5
267.08475	8.5
268.09430	3.7
269.10178	9.6
269.14120	1.8
283.08099	6.3
284.08459	3.4
287.11087	1.8
287.99329	2.3
304.11624	2.2
466.19577	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	466.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
53.05546	0.3
55.01859	0.8
55.05505	0.4
57.03425	3.0
61.02904	2.8
62.30701	0.3
69.03416	21.6
71.04959	0.9
73.02872	0.5
77.03899	0.5
77.66063	0.3
79.05475	7.5
81.03395	9.9
83.04968	4.9
85.02888	16.1
87.04443	1.9
91.03921	0.6
92.08887	0.8
93.44872	0.4
95.04926	4.5
96.66823	0.4
96.76645	0.4
97.02866	5.1
99.04428	3.5
105.03371	100.0
109.02849	5.8
110.84896	0.4
111.04422	4.9
123.04406	14.4
127.03893	5.1
129.05437	4.8
131.04904	0.4
145.04973	0.8
147.06470	2.9
165.07539	2.3
183.04613	0.4
183.08614	10.3
189.01746	0.4
231.06407	0.7
249.07570	6.4
267.08569	20.0
382.99799	0.4
440.01120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.01851	0.8
55.05487	1.3
57.03415	3.0
57.03683	0.5
61.02908	1.0
67.51515	0.5
68.19576	0.4
69.03413	24.5
71.04963	1.0
73.02882	0.8
77.03918	0.7
79.05473	6.2
81.03396	10.2
83.04960	4.8
85.02888	16.3
87.04424	0.7
91.03941	0.5
92.09107	1.4
95.04939	4.3
97.02851	5.5
99.04447	3.9
103.03922	1.0
105.03371	100.0
106.03712	0.8
109.02856	3.4
111.04415	5.1
123.04394	14.0
127.03878	4.7
129.05463	5.7
142.31798	0.6
145.04918	1.0
147.06503	3.1
165.07584	3.7
183.08574	10.3
231.06392	0.8
249.07487	7.1
267.08563	23.8
280.89441	0.6
292.57800	0.7
331.61026	0.5
468.25308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64182	0.2
53.03941	3.7
55.01866	0.3
55.05495	0.4
57.03421	1.3
61.02915	0.3
67.05477	1.1
69.03415	8.2
69.07047	0.5
71.04967	2.1
73.02869	0.4
77.03920	0.5
79.05479	5.1
81.03403	17.3
81.07026	1.5
83.04986	0.4
83.08607	0.3
85.02890	6.9
85.06515	0.3
86.09684	0.3
91.05459	1.2
93.07011	3.7
95.04953	5.1
95.08607	2.0
97.02878	10.3
99.04421	3.0
99.08086	0.4
105.03378	100.0
105.07024	1.7
106.03722	0.5
107.04911	0.3
107.08585	1.8
108.04456	0.4
109.02866	9.5
109.10149	1.5
119.08577	1.0
120.08173	0.3
121.10121	2.3
123.04400	7.4
123.08055	0.4
123.11666	0.3
127.03893	6.4
128.07053	0.5
131.08582	0.5
133.06563	0.3
133.10095	0.7
135.11702	0.4
136.07571	0.5
137.05995	0.6
137.09628	1.1
145.02824	0.3
145.04936	1.2
145.10081	0.4
147.04422	0.4
147.11694	1.1
149.09624	0.6
154.08578	0.3
155.08481	0.3
159.11659	0.5
161.05943	0.5
167.10645	0.4
170.03366	0.3
177.05487	0.6
182.08105	1.5
195.70720	0.3
200.09160	0.6
201.09128	0.3
233.15308	0.5
249.07538	19.4
251.16354	0.7
251.20061	0.3
267.08606	13.7
269.17444	1.1
304.05273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27524	0.2
53.03937	1.8
55.01861	0.4
55.05508	0.4
57.03424	0.4
60.08151	1.0
65.03893	0.2
67.05485	0.3
69.03407	3.5
69.07059	0.3
70.06578	2.0
71.04975	0.9
71.07352	0.3
71.81306	0.2
72.08127	1.4
73.02881	0.2
79.05455	1.7
81.03397	7.2
81.07034	1.5
83.04943	0.4
84.08123	0.4
85.02888	3.7
85.06513	0.9
86.09692	4.0
91.05451	0.6
92.08970	0.7
93.07016	1.4
95.04947	12.7
95.08604	0.8
97.02868	5.8
97.06476	0.2
99.04431	1.2
104.10725	5.5
105.03371	40.6
105.04507	1.0
105.07000	1.0
107.08559	1.0
109.02869	3.3
109.06516	0.3
118.06846	0.9
119.08537	0.4
121.06470	1.3
121.10122	0.3
123.04403	100.0
124.99992	2.1
127.03878	2.7
135.11678	0.2
136.07602	0.3
136.45766	0.2
137.09630	0.4
145.04938	1.1
145.10120	0.2
147.04402	0.3
148.32822	0.2
159.09138	0.3
165.05437	30.9
175.11292	0.2
182.08163	0.3
184.07301	3.9
200.09129	0.5
249.07542	6.7
251.16321	0.4
267.08545	5.4
269.17468	0.4
297.18774	0.2
352.28824	0.3
420.89117	0.2
466.21994	1.9
486.35605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3937
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
55.05499	15.6
57.07060	11.4
61.89901	1.6
64.09424	1.5
65.62778	1.5
67.05479	3.0
69.03398	1.8
69.07047	7.9
71.08619	4.4
72.66964	1.5
79.05457	2.9
81.07023	3.8
83.04968	40.0
83.08606	8.3
84.23132	1.7
85.10167	2.7
91.05452	3.1
92.08901	6.1
93.07013	13.6
95.08592	8.0
96.93722	1.7
97.10194	2.2
107.08586	8.0
107.87181	1.7
109.06511	3.3
111.08038	3.7
121.06467	27.0
121.10101	3.5
127.07542	8.6
135.08028	10.2
137.09648	3.8
139.07506	74.3
149.09637	3.1
151.07489	2.3
153.09091	4.0
159.11650	3.0
161.43936	1.7
163.07526	11.9
167.10651	2.6
181.08563	9.8
214.78481	1.8
251.36649	1.6
289.95157	1.7
447.38187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3937
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
54.19655	1.8
55.05505	28.1
57.07066	3.8
67.05494	10.5
69.07063	23.7
69.69796	1.8
79.05479	3.3
81.07043	25.6
83.04971	2.3
83.08604	23.5
91.05446	9.5
92.08954	13.6
93.07024	8.7
95.08595	26.9
96.24126	2.0
97.06500	2.1
97.10149	18.2
102.86922	2.2
105.07021	2.7
107.08623	3.6
109.06522	2.6
109.10136	22.7
111.08084	13.5
119.08566	17.1
121.06481	3.6
121.10135	8.4
123.04395	3.7
123.11728	3.8
133.10127	2.2
135.11688	4.4
137.09593	20.8
137.54550	1.9
139.07486	28.8
145.10060	2.2
151.11180	3.6
153.09149	3.9
159.23700	3.1
165.09084	39.4
165.12733	3.0
179.14282	4.8
188.18265	2.5
191.72931	2.1
259.78516	2.1
303.05081	4.4
419.38882	3.5
429.37366	4.1
447.38254	27.1
454.92624	2.2
455.16895	2.6
465.32779	5.4
465.39267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3935
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
55.05508	23.5
55.27800	1.0
56.36959	1.0
57.03424	1.4
57.07072	9.4
59.45979	1.0
67.05241	0.9
67.05502	13.9
69.07056	26.0
71.08612	2.4
73.06139	1.1
73.96869	1.2
79.05482	2.0
81.07040	20.8
83.04961	1.7
83.08607	21.7
91.05455	4.9
92.08838	2.4
92.09335	1.4
93.07025	9.8
95.04954	2.3
95.08574	23.2
97.09711	1.1
97.10167	19.4
105.07018	4.9
107.08591	7.6
109.06524	2.5
109.10141	16.6
111.08092	10.1
111.11703	5.1
119.08553	15.7
121.06474	7.0
121.10139	8.8
123.04408	8.4
123.08052	2.6
123.11689	8.0
125.09637	1.5
131.08528	2.1
133.10091	2.7
135.07945	1.9
135.11688	3.0
137.05946	1.6
137.09586	17.3
139.07515	31.6
149.13217	1.7
151.11171	9.6
153.09064	2.8
165.09093	36.6
165.10449	1.6
165.12758	6.9
167.10626	2.1
173.13271	1.6
179.10571	1.6
179.14297	5.1
183.10220	1.4
187.33527	1.3
193.15903	5.8
207.10049	1.3
263.23715	1.7
303.04944	5.5
401.37814	2.9
419.38953	2.4
429.36972	2.8
447.38202	22.3
465.39319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83303	1.3
55.01855	10.4
55.05505	43.8
57.03429	21.9
57.07059	15.4
62.83462	1.5
67.05492	13.2
68.42438	1.5
69.07049	43.4
71.08604	3.1
73.02893	8.4
79.05460	8.6
81.07014	15.5
83.04933	2.5
83.08606	29.8
83.10812	1.7
85.10129	2.0
91.05434	2.9
93.07019	12.4
95.08563	13.2
96.86336	1.7
96.96574	2.2
97.06509	3.1
97.10143	15.7
98.98440	100.0
105.06987	3.6
107.08596	7.7
107.98010	1.8
109.10139	2.8
111.08100	2.7
111.11662	2.7
113.23551	1.7
114.15402	1.8
116.99504	2.3
121.10121	7.6
129.05467	2.7
133.10094	2.5
135.11685	4.1
136.99889	2.2
149.13271	2.1
155.01006	67.9
164.71176	1.8
229.04855	2.4
237.22081	8.4
303.04855	7.5
311.25717	74.9
424.25192	2.2
447.24872	19.1
465.32925	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	465.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01862	3.1
55.05501	12.8
57.03425	14.9
57.07065	0.6
59.04989	1.3
61.02912	8.2
63.93670	0.6
65.03911	0.8
67.05496	16.4
68.99760	2.4
69.03413	13.3
69.07040	7.2
70.06572	0.6
71.04961	5.1
73.02898	4.0
73.28766	0.6
79.05475	20.7
79.05901	1.3
80.43958	0.6
81.03400	48.0
81.07037	24.1
83.04970	13.0
83.08604	14.4
85.02888	34.5
85.06516	2.9
86.09694	1.5
87.04446	2.7
91.03918	3.5
91.05459	23.6
93.07023	18.8
95.04949	19.9
95.08572	10.3
97.02870	11.8
97.06512	7.0
97.10156	2.6
99.04436	3.0
99.08080	1.3
105.03374	1.2
105.07018	18.8
107.04950	6.5
107.08571	10.9
109.02860	3.2
109.06491	4.4
109.10127	3.4
111.00776	1.2
111.04447	2.9
111.08086	7.1
112.52625	0.7
113.05983	2.5
114.73226	0.6
115.03939	3.0
115.05425	0.8
117.06982	2.7
119.04920	2.3
119.08569	15.9
120.08089	0.8
121.02833	2.9
121.06477	1.4
121.10125	9.6
123.04396	1.3
123.08046	3.1
123.11616	0.7
125.06004	0.8
125.09572	1.1
127.03890	3.5
129.06963	7.0
131.08534	8.1
133.06494	2.6
133.10112	8.6
135.04385	0.8
135.07993	2.5
135.11676	2.7
137.02318	4.9
137.05956	0.9
137.09576	1.2
142.07751	2.7
143.08606	0.8
145.10103	1.1
147.04399	4.5
147.08058	2.4
147.11673	10.4
149.02307	0.7
149.09570	4.7
151.11101	0.7
153.01791	6.1
153.12708	4.3
156.79668	0.7
157.10094	10.5
159.08086	0.9
159.11664	0.9
161.06021	0.7
163.03903	2.5
163.11212	0.8
165.01828	3.9
165.12743	1.4
167.03383	2.8
173.06000	0.8
175.11154	7.9
183.02849	21.4
183.11821	0.6
184.03142	0.6
184.07433	1.0
193.12218	23.1
199.11002	0.6
200.06833	0.6
201.05453	3.8
210.31790	0.6
211.13248	19.3
229.04947	9.2
247.06033	0.7
249.18547	0.7
257.04443	3.3
267.15854	7.2
267.19403	0.8
285.03995	1.3
285.16913	62.7
303.05002	100.0
303.08511	13.0
304.05359	4.3
310.61395	0.7
430.22284	0.7
447.22073	1.1
473.25064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01847	1.1
55.05507	1.7
57.03426	5.8
61.52856	1.0
65.03920	1.8
68.85133	1.0
69.03411	7.1
69.07012	1.9
71.04968	1.1
71.15063	0.9
73.02888	1.0
79.05457	9.6
81.03402	4.7
81.07033	6.0
83.04970	1.6
85.02889	6.6
87.04437	2.2
91.05468	20.0
92.09029	5.4
93.07018	13.9
95.04932	13.0
95.08620	1.6
96.66721	1.1
97.02843	1.7
103.05448	6.6
103.54628	1.1
105.03369	2.5
105.04496	1.1
105.06990	13.0
106.04196	1.5
107.01641	1.1
107.04923	24.3
107.08603	2.3
109.02898	1.7
109.06538	2.0
109.10103	2.7
110.03649	1.4
111.04405	1.4
115.03916	1.2
115.05462	2.6
117.03385	1.7
117.06955	3.7
119.04885	6.9
119.08567	2.1
121.06477	15.6
121.10090	1.3
123.04398	19.6
123.08075	2.0
124.05170	2.2
125.05923	2.2
127.03889	2.3
128.06178	5.5
129.06976	20.4
131.04900	7.6
131.08524	10.5
133.02783	1.4
133.06490	2.1
135.04396	1.7
135.08009	4.9
135.11691	1.2
137.05942	15.4
138.05437	1.7
140.04662	15.6
145.02817	9.1
145.04805	1.3
145.06485	5.4
146.03552	1.4
146.07228	4.1
147.04370	7.5
147.08049	4.6
148.05133	1.7
149.05966	6.7
149.09598	1.5
151.03877	2.0
151.07510	20.3
152.04703	2.8
152.06059	1.3
153.05415	7.8
155.06995	10.9
157.06429	14.7
158.07196	1.9
159.08051	2.1
160.05193	1.6
161.05946	59.2
161.09569	18.1
163.07462	11.6
165.05515	1.9
165.06978	4.9
165.09071	7.2
166.05000	1.7
166.06207	9.2
167.07004	100.0
167.08429	4.7
169.06369	1.5
174.06749	11.2
175.07500	16.3
177.05452	10.7
177.09033	8.0
179.07016	4.1
179.08484	1.5
181.06348	2.7
181.08553	49.6
181.10149	1.8
182.07236	7.1
183.08014	1.8
187.07497	1.4
188.94345	1.3
189.09053	54.8
191.06903	4.3
191.08551	4.4
191.10680	1.1
193.06473	2.3
193.08578	2.0
194.07306	1.6
195.07965	9.5
197.09592	6.3
205.06538	2.4
207.08099	3.4
207.10146	11.9
208.08733	1.6
209.05956	2.0
210.06694	5.2
211.07434	2.5
211.11407	1.3
212.08261	1.3
219.08025	5.0
219.10155	9.4
221.05989	3.9
222.06644	2.2
223.07526	7.2
223.11162	1.8
224.08253	1.8
225.05595	1.8
225.09058	13.1
227.07079	1.4
234.06689	1.2
235.07504	4.4
236.08133	2.3
239.07068	2.4
239.10541	1.5
240.07797	2.7
241.08499	4.9
242.09351	1.4
247.07510	2.3
251.07025	2.7
251.10577	5.4
253.08533	10.1
255.06494	2.6
255.10117	4.7
257.11649	10.3
265.08582	2.3
267.10120	2.3
269.08133	1.4
270.08804	4.6
271.13162	1.3
279.10025	2.3
281.08066	1.5
282.08835	1.6
283.09674	11.0
283.13181	7.2
285.11145	17.2
297.11249	1.5
299.12732	2.0
300.09830	1.8
302.11514	6.1
303.05008	4.9
303.13330	5.6
305.13751	1.3
309.11267	1.5
311.12793	5.5
315.12250	12.9
317.13693	13.8
329.13779	4.4
331.15274	2.3
341.13821	1.5
343.15320	19.3
346.14142	2.4
359.14807	6.3
360.15558	20.4
361.16367	69.4
373.16293	1.2
435.19992	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	465.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80252	0.7
52.22493	0.6
53.00298	0.7
53.03940	1.6
55.01865	9.2
55.05502	4.8
56.05016	3.2
57.03427	10.8
58.51717	0.7
61.02906	6.4
69.03069	1.4
69.03416	27.7
70.06580	11.7
71.04977	48.7
72.08130	1.1
73.02901	4.8
74.06053	0.7
79.05468	1.1
80.04973	0.8
81.03400	10.1
83.04948	1.1
84.04494	5.4
84.08139	2.0
84.30457	0.7
85.02888	39.4
86.06037	1.5
87.04463	6.2
88.07635	0.9
91.03941	1.7
91.05463	1.5
94.06528	0.9
95.04966	1.2
96.04463	1.1
97.02873	16.5
98.06033	70.7
98.97572	1.7
99.04432	42.3
101.00828	0.9
102.05529	0.9
107.04906	1.3
108.57805	1.0
109.02854	5.1
110.06045	5.5
110.07149	2.0
111.04397	1.5
112.07585	3.9
114.05503	1.2
115.08675	1.3
116.07072	35.9
116.98605	1.5
117.05465	1.4
118.06453	0.8
119.01882	6.3
119.04919	1.4
120.08148	0.8
123.05508	1.4
124.07551	1.1
124.95770	1.0
125.05973	3.1
127.03894	10.4
129.03061	1.0
130.08601	1.2
131.04897	1.2
132.08130	1.1
134.06053	1.5
134.99551	0.9
135.04393	3.3
136.07570	1.2
137.03061	0.9
138.05490	10.2
140.07037	7.1
140.42117	1.0
142.08635	5.2
143.01898	4.8
145.03474	1.8
145.04955	4.3
146.06015	1.3
147.04347	7.5
148.04875	0.9
148.06384	0.7
148.07571	4.6
149.01280	0.8
150.05510	1.4
152.07062	8.2
154.08658	1.7
155.01883	0.9
156.03589	1.5
157.03453	5.1
157.09763	1.2
158.05914	1.1
158.99696	0.9
161.02922	6.7
162.05484	1.0
162.09093	1.8
163.03914	1.9
163.06245	1.0
166.08620	1.1
170.08128	3.8
172.07484	1.3
173.02942	3.8
174.07632	0.8
175.04510	3.3
176.07039	23.1
177.00743	1.2
178.08600	6.0
180.10266	0.9
185.02968	1.9
186.11234	1.7
187.04494	1.0
188.09140	14.8
190.08553	9.8
192.04640	1.0
192.10156	1.5
194.08101	3.2
197.03004	1.4
198.98593	1.5
199.98662	1.0
200.07101	3.1
200.98238	6.8
203.04080	3.7
203.13861	1.9
204.06580	1.5
205.05571	1.0
206.08052	1.2
208.09686	1.4
213.00154	1.3
217.50317	0.9
218.08060	15.3
218.99348	3.4
220.09711	1.8
221.05098	1.5
223.06644	5.0
225.12248	1.0
232.09879	0.8
235.08363	3.2
235.10672	18.3
236.09227	1.8
238.10716	6.5
239.04489	3.1
241.07689	2.9
245.05016	6.5
247.04790	1.1
250.10683	17.6
255.88989	0.9
257.14923	1.4
259.06683	1.1
263.06161	1.3
265.07751	1.6
281.05341	1.0
282.08029	1.2
282.57971	1.2
285.14401	5.1
286.12961	1.2
291.08759	0.8
303.15448	70.5
335.95294	0.8
367.10693	4.0
447.19650	1.7
465.09616	6.2
465.20728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01863	0.7
57.03421	0.8
57.57402	0.2
59.06110	0.2
61.02905	0.9
62.45464	0.2
65.03927	1.4
69.03412	4.8
71.01321	0.2
71.04974	0.3
73.02893	0.8
74.73366	0.1
81.02929	0.3
81.03392	5.3
82.66096	0.1
83.04961	1.1
85.02885	5.1
87.04446	0.2
91.03925	0.4
91.05437	0.3
92.09060	0.4
95.04940	7.4
97.02859	2.8
99.00808	0.8
99.04417	1.0
101.02282	0.2
105.03378	0.7
107.04919	0.7
109.02858	2.2
111.04416	2.3
113.06015	0.3
119.03386	0.4
119.04921	1.0
121.02839	100.0
127.03874	1.2
129.05420	0.2
139.03876	13.5
145.04918	0.4
147.04388	1.3
148.04707	0.7
163.03871	0.3
165.07498	0.4
167.06979	0.3
180.07820	0.2
183.08575	1.0
217.03394	0.7
223.97594	0.3
265.07019	3.5
283.04950	0.4
283.08051	10.3
392.29883	0.2
465.19623	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01861	3.1
55.05505	2.6
57.03173	0.4
57.03429	6.5
59.14961	0.3
61.02911	5.9
65.03927	2.4
67.05479	0.5
69.03416	37.4
71.01344	0.3
71.04977	3.1
73.02905	2.4
75.04476	0.5
79.05466	0.6
79.94215	0.3
81.03402	8.8
81.07018	0.4
83.04964	11.0
85.02887	14.6
86.03240	0.3
87.04449	3.7
87.66961	0.3
91.03939	2.6
91.05463	1.7
92.05779	0.3
92.08818	0.6
93.03360	1.3
93.07053	0.4
95.04939	1.5
97.02860	3.5
97.06540	0.4
99.00786	0.3
99.04427	6.6
101.05970	0.4
103.03920	2.2
105.02686	0.6
105.03375	12.2
105.07001	0.6
106.03708	3.2
107.04913	0.4
107.08585	0.5
109.02865	3.9
111.03661	0.3
111.04422	8.9
117.05463	1.4
119.03451	0.5
119.04932	1.8
120.05300	0.5
121.02842	100.0
121.10080	0.4
121.71237	0.3
122.03244	0.4
123.04389	1.5
124.04749	0.4
127.03877	3.0
129.04514	0.6
129.05453	11.6
133.10085	0.4
139.03882	38.8
145.04942	0.5
147.04401	3.6
147.06487	6.8
148.04723	0.7
159.11696	0.3
161.05988	0.4
162.06372	0.3
165.07552	6.0
178.06270	0.5
181.05183	1.2
183.08603	15.3
185.41129	0.3
193.08682	0.4
193.12163	0.3
199.06331	5.3
214.09419	0.3
241.59489	0.3
249.07507	1.2
250.07814	1.2
265.06998	0.4
267.08536	1.4
267.11179	0.4
268.09027	1.1
283.08054	1.5
285.12219	0.5
303.04868	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	465.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82637	0.2
53.00283	0.3
53.03926	1.1
55.01865	2.7
55.05505	2.8
57.03427	6.0
61.02914	4.3
65.03921	2.2
67.05498	0.3
68.78547	0.3
69.03414	33.6
71.04979	3.4
73.02888	1.7
79.05483	0.5
81.03400	7.8
81.07041	0.4
82.03703	0.4
83.04965	10.1
85.02888	12.8
86.03253	0.4
87.04455	3.5
91.03925	1.4
91.05476	0.6
92.09046	1.3
93.03391	1.4
93.07020	0.5
95.04945	1.1
97.02855	2.4
97.06518	0.4
99.04428	6.1
101.05988	0.6
103.03912	2.0
105.03377	8.3
105.07000	0.5
106.03110	0.2
106.03661	2.0
107.08583	0.5
109.02870	1.8
111.04431	8.4
117.05472	1.6
119.03328	0.4
119.04926	1.3
121.02840	100.0
123.04400	1.1
127.03850	1.9
129.05453	13.6
139.03877	39.9
147.04445	2.3
147.06488	6.7
148.04755	0.6
165.07561	6.1
178.06284	0.4
181.05229	0.5
183.08600	16.5
199.06320	3.9
199.75795	0.3
214.09514	0.4
249.07552	0.6
249.14722	0.3
250.07945	0.5
265.07101	0.6
267.08600	1.2
267.11157	0.3
268.08954	0.5
283.08078	1.2
303.04880	2.2
344.85187	0.3
493.80640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.139
Annotation	Lanceolin
Peak:m/z	Relative Intensity
53.03922	0.5
55.01863	0.6
55.05503	0.3
57.03406	1.6
57.24182	0.3
61.02906	0.7
63.78231	0.3
67.01853	6.8
67.05481	0.4
68.99762	0.6
69.03410	5.5
69.07040	0.4
71.04958	0.6
73.02901	0.4
79.05465	0.8
81.03393	2.5
81.07030	0.6
83.01300	0.5
83.04955	0.3
83.08620	0.3
85.02888	12.4
87.04426	0.7
89.03888	3.0
91.05486	0.4
92.09170	2.1
95.04906	0.4
97.02869	3.6
99.04412	2.0
105.03379	0.8
107.04920	1.8
107.08556	0.4
109.02855	1.7
111.04428	4.4
113.99236	0.3
117.03335	5.9
119.17795	0.3
121.10096	0.5
123.04402	3.2
125.02310	2.9
127.03876	1.3
135.04373	11.6
137.02332	0.7
137.05951	1.9
139.03883	1.5
141.05434	0.6
145.01221	0.4
145.01602	0.5
145.02824	11.8
145.04980	0.7
152.87744	0.3
159.04381	0.8
163.03865	60.2
165.05461	1.8
167.03360	100.0
168.03696	0.4
177.05484	0.5
185.04417	11.5
187.03893	2.0
193.04922	4.9
205.04964	1.6
261.07562	0.5
285.07480	0.8
303.08560	85.9
445.33371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.9
56.44549	0.5
57.03422	1.1
57.04517	0.5
61.02888	0.5
67.05481	2.7
69.03403	4.0
69.07058	1.3
71.04982	0.6
72.08141	9.3
73.08484	0.6
73.71556	0.5
79.05475	3.3
81.03414	2.5
81.07040	8.8
81.34983	0.5
83.04980	0.7
83.08634	0.7
84.08091	0.7
85.02907	5.6
85.06527	1.1
87.04449	0.8
91.05457	4.0
92.08720	1.6
93.07024	7.3
95.04960	1.3
95.08576	4.3
97.02875	1.4
99.04409	0.6
105.03384	5.0
105.07032	5.1
107.08597	5.1
109.02886	0.8
109.06534	0.7
109.10149	3.8
111.08073	0.8
116.41730	0.5
119.04910	1.2
119.08569	3.3
121.10119	2.8
123.04342	0.6
123.08019	0.6
127.00105	0.6
131.08563	2.4
133.10103	1.4
135.08020	0.7
135.11694	1.2
135.82668	0.6
137.09590	0.7
143.08600	0.8
145.10141	2.3
147.04373	1.2
147.11710	1.4
151.11124	0.7
157.10173	1.4
159.11642	1.0
189.09160	1.1
199.08604	0.7
201.05229	1.4
203.12576	0.7
216.07538	16.3
217.08327	8.7
227.05257	0.9
248.12433	0.7
268.19702	0.6
271.04178	1.3
285.16989	0.6
303.05109	2.9
379.13535	4.5
403.13635	0.6
405.72092	0.6
410.95145	0.6
421.14642	24.1
465.13620	100.0
466.14017	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	465.1025
Annotation	Quercetin 3-beta-D-glucoside
Peak:m/z	Relative Intensity
50.61416	0.1
53.03928	0.9
54.47341	0.1
55.01616	0.1
55.01854	1.2
57.03415	1.1
60.06354	0.1
61.02913	2.2
65.03935	0.2
68.99764	0.8
69.03410	5.3
71.04955	0.7
73.02910	0.8
81.03397	3.2
83.01302	0.3
85.02887	12.2
87.04443	0.3
91.03939	0.4
92.08793	0.5
93.03374	0.4
93.06234	0.2
95.04932	0.3
97.02874	3.9
99.04412	0.7
106.02901	0.3
109.02863	1.9
111.00784	1.7
121.02852	1.6
123.04437	0.2
124.03937	0.3
127.03868	1.9
135.04411	0.4
137.02321	5.6
137.03381	0.3
145.04942	1.4
145.06439	0.2
149.02330	0.8
151.03880	0.2
153.01801	6.6
157.48605	0.2
161.05901	0.3
163.03879	1.3
165.01817	4.2
166.02563	0.3
173.05957	0.7
177.05403	0.2
183.02826	1.7
183.04347	0.5
187.03865	0.2
191.03471	0.2
195.02875	0.4
197.08076	0.3
201.05412	2.9
205.04787	0.2
211.03754	0.2
212.48180	0.2
219.06552	0.3
226.31941	0.2
229.04901	7.5
247.06012	1.3
257.04428	4.5
274.04666	1.2
275.05490	0.3
285.03909	2.2
303.04922	100.0
303.38583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
55.01863	0.3
55.05498	0.1
57.03426	0.9
59.04985	0.1
61.02910	11.3
64.02216	0.0
65.03915	0.3
67.01842	0.1
67.05478	0.1
68.03139	0.0
68.99765	0.9
69.03410	1.7
71.01322	0.1
71.04972	0.2
73.02892	2.9
79.05455	0.1
81.03394	0.9
81.07037	0.1
83.01328	0.1
83.04963	0.1
85.02883	7.6
87.04424	0.1
91.03928	4.0
91.05453	0.2
92.09092	0.2
93.03374	0.6
93.07021	0.2
95.04950	0.6
97.02865	4.3
99.00838	0.1
99.04417	0.5
101.02345	0.2
105.03385	0.2
105.06985	0.1
107.04943	0.1
107.08561	0.1
109.02864	0.9
109.10212	0.0
110.03677	0.1
111.00778	1.6
111.04413	0.1
112.18445	0.0
115.03903	0.3
117.05409	0.1
117.06987	0.2
117.46066	0.0
119.03387	0.0
119.04909	0.2
121.02831	1.5
121.10128	0.1
123.04413	0.5
123.11669	0.1
127.03873	1.2
129.06940	0.1
131.04887	0.2
133.06323	0.1
133.10104	0.1
135.04414	0.4
137.02312	6.0
137.03253	0.2
137.05940	0.2
139.03859	0.1
139.05415	0.0
145.02849	0.1
145.04932	0.5
145.06464	0.3
145.10065	0.0
147.04385	0.1
149.02322	0.7
153.01797	6.8
155.04843	0.3
155.05978	0.1
157.06451	0.1
159.04359	0.2
161.05933	0.4
163.03868	1.1
165.01787	3.2
166.02596	0.5
167.03406	0.1
171.02910	0.1
173.02182	0.1
173.05931	0.7
177.01807	0.1
177.05403	0.2
179.03403	0.2
183.02840	1.5
183.04387	0.4
187.03807	0.5
191.03342	0.3
195.02843	0.4
201.05428	3.1
205.04932	0.3
207.02800	0.3
211.03850	0.1
213.05377	0.2
213.08983	0.1
215.03368	0.2
219.02846	0.2
219.06377	0.5
228.04131	0.4
229.04900	7.2
230.05341	0.1
232.03584	0.1
233.04524	0.1
239.03325	0.3
243.02788	0.1
245.04359	0.1
246.05070	0.1
247.05949	1.2
257.04376	4.4
274.04660	1.1
275.05374	0.3
285.03842	1.9
286.04666	0.1
302.04065	0.1
303.04910	100.0
304.05237	0.7
318.94315	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01855	0.5
55.05498	2.3
57.03421	5.9
59.04987	0.9
61.02918	1.2
67.05494	2.3
69.03072	0.7
69.03419	17.9
69.07053	1.3
71.04977	2.0
73.02898	0.6
79.05479	6.5
81.03400	3.4
81.07038	4.6
83.04958	1.0
85.02890	15.5
85.06530	0.7
87.04459	9.4
91.05466	15.0
92.08817	1.9
93.07025	56.2
95.04942	4.0
95.08574	4.4
97.02869	13.0
97.06515	1.8
99.04406	2.4
105.03391	10.0
105.07007	8.4
107.08580	100.0
109.02853	1.2
109.06507	4.6
109.10139	3.9
115.03917	13.8
119.04915	5.1
119.08543	4.4
121.10123	4.2
123.04391	0.7
123.08024	0.7
124.35419	0.5
125.09586	0.9
127.03897	2.9
133.04951	14.0
133.10115	2.9
135.08028	0.6
135.11670	30.0
137.09587	1.3
137.50137	0.5
141.09167	0.6
141.86055	0.6
143.08559	0.8
145.04959	3.2
145.10074	1.2
147.04382	13.5
147.11639	2.7
149.09627	0.8
150.07605	0.8
151.11177	0.7
152.14342	2.3
157.10075	1.1
159.11737	0.8
161.09584	0.6
161.13278	0.7
163.03934	0.8
165.05333	0.6
165.09090	0.6
165.12692	1.1
166.76793	0.7
171.11653	0.9
175.11177	1.1
175.14786	1.1
185.13277	0.8
203.14322	2.3
203.17825	0.6
221.15300	0.8
231.13811	2.4
231.17612	0.6
239.31320	0.6
249.07411	0.8
249.14874	4.9
249.18484	0.6
259.08167	0.9
267.08624	0.9
267.16037	4.4
267.19534	3.5
277.08810	0.5
295.10220	2.6
303.04935	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	464.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00269	0.5
53.03930	2.6
53.77341	0.4
55.01864	1.0
55.05510	5.0
57.03428	6.4
57.07059	1.1
59.04974	0.9
61.02914	1.0
65.03931	0.5
67.05488	3.4
69.03069	1.0
69.03415	19.6
69.07052	7.0
70.06567	0.9
72.08125	2.3
73.02893	2.9
75.04461	0.8
77.03854	0.5
79.05472	12.8
81.03391	9.8
81.07034	7.3
83.04967	2.3
84.08128	0.6
85.02889	18.3
85.06528	1.3
86.09682	0.7
87.04451	10.0
91.05452	14.2
93.07021	45.1
95.04939	8.2
95.08584	5.8
97.02866	15.1
97.06513	1.2
97.10117	0.6
99.04428	2.9
105.03373	35.8
105.07001	10.8
106.03691	0.7
107.04920	0.8
107.08574	65.7
108.08158	0.6
108.08935	0.6
109.02850	6.3
109.06472	4.3
109.10162	4.2
111.08089	2.1
112.07602	2.2
115.03918	9.6
117.07008	0.8
119.04893	0.7
119.06057	0.7
119.08548	10.0
120.08031	0.6
120.09348	0.8
121.02830	0.9
121.06502	0.8
121.10120	12.6
123.04391	4.4
123.08037	2.3
123.11703	1.1
125.05968	1.1
125.09599	0.7
126.72728	0.5
127.03891	4.5
127.07565	0.6
130.96518	0.5
131.08549	2.6
133.04935	11.0
133.10110	3.1
135.11665	100.0
137.05930	0.8
137.09589	1.3
139.11194	0.7
140.07010	4.3
141.07402	1.1
143.08546	1.2
145.04948	2.1
145.10104	2.7
147.04330	0.6
147.11685	2.8
148.03896	1.2
149.09576	5.2
150.07559	1.0
150.09200	0.6
151.11153	0.7
152.07011	1.0
153.12762	0.7
157.10176	0.7
159.11751	0.9
161.13223	0.5
162.05496	2.5
163.11166	0.7
167.07024	0.5
167.10643	2.6
168.06538	6.0
169.06900	2.2
171.11786	0.7
180.06494	7.7
189.16327	0.6
193.12157	0.6
198.07623	2.9
213.16312	0.6
249.07574	6.5
249.18425	0.8
259.08090	0.7
267.08539	5.3
267.15955	2.3
267.19479	5.8
281.20190	0.6
293.13785	0.6
295.10364	1.8
303.05045	2.2
311.14798	3.4
311.60489	0.7
316.37561	0.6
464.18512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01872	2.9
55.02089	0.3
57.03429	6.2
61.02631	0.6
61.02915	8.9
69.03415	21.6
69.45969	0.4
71.04980	2.8
73.02905	3.6
76.56333	0.4
79.05474	4.9
80.25826	0.5
81.03399	16.8
81.03875	0.8
85.02887	100.0
87.04447	2.5
91.03921	4.2
92.09000	0.5
95.04939	4.6
97.02867	28.4
99.04414	4.9
101.02342	1.0
103.03931	0.5
105.03370	80.3
105.07011	5.0
109.02858	13.8
115.03876	0.5
123.04410	9.8
127.03895	24.4
127.79661	0.4
132.25833	0.4
135.89281	0.4
145.04933	26.3
147.04414	1.5
163.05983	12.8
175.26094	0.4
249.07524	11.9
255.14325	0.4
267.08572	17.9
273.98917	0.5
285.13385	2.7
325.11295	0.5
395.92059	0.4
409.64771	0.5
453.15442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55763	0.2
55.05507	14.8
56.05036	0.3
56.52291	0.2
57.05805	1.2
57.07070	0.4
58.06587	0.3
62.49139	0.2
63.89277	0.2
67.05500	1.4
69.03400	0.4
70.06569	0.5
71.04964	0.4
72.08138	100.0
81.07051	1.7
82.06559	0.3
83.04968	0.3
84.08134	13.2
85.02904	0.3
85.17161	0.2
90.05540	0.3
90.09958	0.2
91.05463	1.3
92.08788	0.8
93.07025	1.4
95.04966	0.5
95.08612	0.4
95.59283	0.3
99.09222	0.4
100.67365	0.3
105.07001	1.0
107.08570	1.1
112.07611	0.4
117.07005	0.6
119.04910	2.3
119.07291	0.4
119.08549	0.4
121.10116	0.3
122.09613	0.4
123.04411	0.5
123.11700	0.3
127.08642	0.5
131.04884	0.5
132.08089	0.5
133.10127	0.6
135.11690	0.4
136.07573	3.2
138.12737	0.3
145.06477	0.5
146.05975	0.4
147.04399	2.6
147.11690	1.1
156.10194	3.9
159.06822	0.3
160.07544	3.1
161.09634	1.6
162.05333	0.3
165.05496	2.1
171.04456	0.4
173.09676	0.4
174.12759	0.6
177.09073	0.4
182.08168	2.2
184.09721	5.5
185.09607	1.8
189.09074	13.3
201.11488	0.3
202.12245	17.1
213.09131	1.6
230.11705	1.8
231.10112	8.7
231.12193	0.4
237.08810	0.3
247.14468	0.4
248.12758	11.6
255.17125	1.7
258.11179	0.5
275.13870	1.9
276.12308	1.6
281.14893	4.9
283.16458	6.0
285.16904	1.0
291.17276	0.4
293.14960	1.6
319.16394	1.1
337.17664	0.4
347.19693	2.0
365.17102	4.7
392.21420	0.3
418.23172	0.4
420.21387	1.0
436.24319	2.3
446.22696	1.9
464.23788	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	464.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.1
55.05506	47.6
57.07094	7.6
57.17114	10.1
65.54475	7.5
67.05492	49.0
69.03417	52.8
69.07053	19.3
71.04966	16.0
72.08138	52.0
72.08849	8.4
78.98110	8.1
79.05475	74.1
81.03384	19.7
81.07043	100.0
83.04987	11.9
83.08618	9.9
85.02887	38.9
85.06510	8.7
87.06258	8.9
88.73577	9.6
91.05460	61.4
92.09147	10.5
93.07030	78.2
95.04951	39.2
95.08588	49.7
96.15518	10.2
97.02888	13.8
97.06508	10.4
105.03381	93.1
105.07011	53.9
107.04946	13.1
107.08554	73.8
109.06530	15.6
109.10152	16.9
111.08109	10.6
119.08564	46.1
121.06498	10.2
121.10123	22.4
123.07959	10.7
125.05951	9.1
126.83579	9.0
131.04897	21.8
131.08553	21.5
133.10138	38.2
135.11665	11.7
137.05899	17.9
145.10054	9.8
147.11671	13.1
157.10188	17.7
163.11058	12.8
165.12714	10.5
167.07002	15.6
175.11194	16.6
267.15918	82.4
267.19281	15.2
326.64850	9.7
399.42392	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	464.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.1
55.05506	47.6
57.07094	7.6
57.17114	10.1
65.54475	7.5
67.05492	49.0
69.03417	52.8
69.07053	19.3
71.04966	16.0
72.08138	52.0
72.08849	8.4
78.98110	8.1
79.05475	74.1
81.03384	19.7
81.07043	100.0
83.04987	11.9
83.08618	9.9
85.02887	38.9
85.06510	8.7
87.06258	8.9
88.73577	9.6
91.05460	61.4
92.09147	10.5
93.07030	78.2
95.04951	39.2
95.08588	49.7
96.15518	10.2
97.02888	13.8
97.06508	10.4
105.03381	93.1
105.07011	53.9
107.04946	13.1
107.08554	73.8
109.06530	15.6
109.10152	16.9
111.08109	10.6
119.08564	46.1
121.06498	10.2
121.10123	22.4
123.07959	10.7
125.05951	9.1
126.83579	9.0
131.04897	21.8
131.08553	21.5
133.10138	38.2
135.11665	11.7
137.05899	17.9
145.10054	9.8
147.11671	13.1
157.10188	17.7
163.11058	12.8
165.12714	10.5
167.07002	15.6
175.11194	16.6
267.15918	82.4
267.19281	15.2
326.64850	9.7
399.42392	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	464.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.3
54.09567	0.4
54.50802	0.4
55.01863	0.6
55.05507	0.6
57.03431	26.8
61.02900	0.4
66.28357	0.4
67.05479	0.6
69.03058	0.7
69.03404	7.3
69.07052	0.9
71.04975	1.0
73.02893	0.4
76.96638	0.4
79.05470	5.1
79.60041	0.4
80.34035	0.4
80.79018	0.4
81.03404	18.8
81.07053	2.4
85.02888	6.5
89.36686	0.5
91.05446	0.6
93.07059	1.6
95.04955	5.8
95.08575	1.8
97.02877	10.4
98.12491	0.5
99.04448	2.2
103.05440	1.0
105.03378	100.0
105.07005	2.0
107.08581	0.7
108.04462	0.7
109.02878	9.1
109.06506	0.6
109.10151	1.0
119.08563	0.8
121.10110	0.9
123.04414	5.5
126.36278	0.4
127.03893	6.2
131.04921	3.0
131.08595	0.5
133.10112	0.8
145.04942	2.8
149.02327	32.5
149.03262	1.3
161.91879	0.5
163.03883	12.7
163.07555	0.6
181.05025	3.9
181.08565	34.1
181.09917	1.3
193.04942	17.0
237.07538	12.7
245.33958	0.6
249.07510	15.6
267.08588	7.1
303.05167	0.5
313.06854	0.5
341.06534	1.1
359.07465	0.9
385.09015	4.4
429.11777	5.5
463.26379	0.6
481.42920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79565	0.2
53.03936	3.7
55.01857	1.5
57.03425	2.2
61.02904	2.8
63.13246	0.2
68.85570	0.3
69.03412	10.5
71.04974	1.6
72.34821	0.2
73.02882	1.3
74.56411	0.3
77.03886	0.7
79.05474	5.6
81.03397	15.3
85.02885	34.8
87.04433	0.4
91.03925	0.6
92.08695	0.6
92.09191	0.6
95.04939	4.8
97.02863	14.2
99.04433	3.6
105.03366	100.0
105.06997	1.5
109.02854	10.3
112.98332	0.3
117.07060	0.3
119.04980	0.5
123.04392	10.7
127.03888	12.4
145.04918	9.8
147.04387	1.5
163.05984	3.5
231.06413	0.4
249.07503	18.4
267.08572	21.4
285.13184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02222	0.2
52.23070	0.3
53.03942	4.3
54.82040	0.4
55.01863	0.6
57.03429	0.5
57.46418	0.3
61.02906	1.8
67.61538	0.3
69.03062	0.5
69.03413	7.9
71.04969	0.7
73.02895	1.5
77.03921	0.3
79.05471	5.3
81.03399	15.9
85.02888	11.6
85.03371	0.6
91.03925	0.6
91.05434	1.2
92.08704	0.6
92.09251	0.6
95.04952	4.8
96.61604	0.3
97.02872	8.9
99.00795	1.8
99.04430	2.4
101.02356	0.4
105.03373	100.0
106.02934	0.5
106.03643	0.4
109.02863	11.1
119.03436	0.8
119.04929	2.8
120.08017	0.4
121.54838	0.3
123.04409	8.6
124.03915	0.5
127.03891	6.9
135.04372	0.5
143.81168	0.3
145.04941	1.9
147.04410	3.4
213.09027	0.6
217.03461	1.6
231.06459	0.8
249.07539	17.4
267.08563	17.7
292.63385	0.3
432.91037	0.3
443.09039	0.3
486.18256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
52.36363	0.2
53.03712	0.3
53.03939	3.7
54.81809	0.2
55.01868	0.5
57.03423	1.5
61.02903	1.3
63.83673	0.3
69.03066	0.4
69.03414	8.4
71.01331	0.3
71.04969	0.5
73.02890	0.4
77.03940	0.3
78.16478	0.2
79.05468	5.1
81.03394	15.1
85.02885	16.2
87.04477	0.4
91.03950	0.5
91.05480	0.3
92.09014	1.1
95.04954	4.0
97.02866	8.3
99.00799	0.4
99.04416	2.3
105.03371	100.0
109.02859	9.6
119.04934	0.5
123.04389	11.0
127.03899	7.8
134.68587	0.2
145.04944	2.8
147.04399	1.2
163.05969	0.5
188.47803	0.2
190.72395	0.2
192.90089	0.2
217.03459	0.3
231.06461	0.6
249.07515	19.1
267.08557	17.4
342.83774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01871	3.1
55.77385	0.3
57.03426	5.7
61.02914	11.7
69.03413	22.7
71.01365	0.3
71.04975	3.1
73.02890	4.3
74.42657	0.3
75.73251	0.3
78.66925	0.4
79.05474	3.6
81.03397	8.9
83.01324	0.4
85.02887	100.0
85.52496	0.4
86.92149	0.3
87.04448	2.2
91.03928	4.4
92.08996	2.3
97.02869	30.8
98.06036	0.4
99.04439	5.3
102.19955	0.3
103.03953	0.7
105.03375	16.3
108.04488	0.4
109.02872	8.6
115.03900	0.6
123.04403	6.9
126.05523	0.4
127.03889	22.0
139.68095	0.4
144.06548	2.3
145.04938	28.2
147.04474	0.3
162.07472	0.5
163.05975	11.4
267.08618	3.8
285.09714	1.6
324.12817	0.5
325.11203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
53.24955	0.2
53.60732	0.2
54.50193	0.2
55.01862	0.6
55.05503	0.4
55.58126	0.3
57.03414	1.3
61.02916	0.6
67.05489	0.6
69.03068	0.5
69.03416	8.6
69.07053	0.5
71.04966	1.3
79.05478	5.2
81.03399	16.1
81.07038	1.7
83.04992	0.3
83.08580	0.3
85.02885	10.9
85.03368	0.6
87.89443	0.3
88.79147	0.3
91.05453	0.6
92.08704	0.7
92.09248	0.8
93.07027	0.6
94.17374	0.3
95.04944	5.3
95.08577	0.5
97.02863	9.1
99.04422	3.1
105.03374	100.0
105.07002	1.2
107.04950	0.4
107.08572	0.6
107.10446	0.3
108.04462	0.3
109.02858	8.6
109.10139	0.7
111.04427	0.4
111.08054	0.3
114.37824	0.3
117.03351	0.3
119.04948	0.3
119.08546	0.5
121.02840	0.4
121.10136	0.7
123.04396	9.8
123.05280	0.4
123.08048	0.4
127.03899	5.5
129.06976	0.3
131.04921	0.4
133.10121	0.4
135.04431	0.4
145.04967	1.6
145.10052	0.3
147.04416	0.5
147.11684	0.4
149.09569	0.3
163.03868	3.6
167.03401	0.7
168.03737	0.4
180.29776	0.3
186.53763	0.3
228.07436	0.3
249.07518	15.6
258.05139	0.7
259.05554	0.3
267.08572	15.3
267.19632	0.4
277.05029	0.3
286.04852	0.5
287.04980	1.5
301.07028	13.4
302.07352	14.9
359.66058	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70643	0.2
53.03756	0.3
53.03939	3.8
53.83550	0.2
55.01863	1.3
57.03419	1.7
61.02907	1.8
69.03414	8.2
71.04961	0.3
73.02880	1.8
77.03912	0.4
79.05470	5.4
81.03398	16.4
82.03783	0.4
83.01348	0.4
85.02887	11.6
91.03911	0.6
91.05457	1.8
92.09229	0.4
95.04932	4.7
97.02859	9.9
98.38071	0.3
99.00791	1.9
99.04432	1.8
101.02377	0.6
105.03368	100.0
109.02850	9.0
119.03382	1.4
119.04895	2.2
123.03528	0.6
123.04403	11.5
127.03897	6.8
135.04453	0.4
138.95502	0.4
145.04962	1.7
147.04251	0.4
213.09138	0.6
217.03419	1.4
231.06491	0.8
249.07516	17.0
267.08560	20.2
296.16980	0.3
406.15887	0.4
427.02698	0.3
486.13116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3779
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05496	54.7
57.07056	46.8
67.05481	17.1
67.49344	5.6
69.07048	99.0
71.08611	31.6
81.07039	100.0
83.08594	56.5
85.02879	12.1
93.07032	9.2
95.08597	63.5
97.10146	16.4
105.07029	10.5
109.06490	10.9
109.10115	37.2
111.11692	7.6
121.10142	7.5
123.08069	7.7
130.85362	7.5
133.06465	13.2
133.09999	6.9
137.05901	24.9
138.59364	6.4
139.07520	8.1
149.05946	10.3
151.07549	40.8
162.71259	6.7
165.09094	7.0
167.07053	14.5
169.08662	11.9
179.07005	13.6
180.09033	7.7
197.08032	8.7
427.35635	17.1
445.36652	95.5
463.37570	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	463.3779
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
52.36843	1.8
55.01864	5.5
55.05489	16.0
57.07078	17.7
61.93207	2.1
67.05475	3.3
69.07056	20.6
71.08604	14.8
74.40872	2.1
76.64713	2.1
81.07033	5.7
83.04991	3.6
83.08591	23.1
85.10165	2.7
92.09135	23.3
93.07037	3.1
95.01292	3.2
95.08589	11.2
97.06524	35.4
104.28758	2.3
105.06986	3.7
107.08591	2.6
109.06500	4.4
123.04412	5.5
123.08020	12.8
125.05933	3.5
127.07545	14.7
137.05959	3.1
139.07524	3.4
149.09619	4.9
151.07527	38.5
165.09099	5.4
169.08571	93.5
175.85860	2.5
197.08061	5.3
238.63861	2.7
305.11804	2.8
397.35904	2.5
445.36752	4.4
463.31619	4.8
463.37729	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	463.378
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
51.72467	3.5
55.01850	4.2
55.05503	42.6
57.07067	10.1
59.55341	3.4
59.85825	3.6
62.38236	3.5
67.05484	8.0
69.07056	40.0
71.08604	4.0
81.07031	24.6
83.04964	57.8
83.08599	16.8
92.08643	9.9
92.09274	21.4
93.07023	22.6
95.08591	32.5
99.08061	4.4
102.49714	4.0
107.08577	15.5
108.01794	4.1
109.06508	7.1
109.10124	5.9
118.79165	3.6
119.08595	4.8
121.06477	39.7
121.10162	5.0
123.07999	6.6
127.07524	8.1
135.08041	16.1
137.09599	9.7
139.07520	93.6
153.09085	5.4
163.07503	19.8
165.08972	5.8
172.28035	4.0
181.08591	16.5
235.35442	4.6
445.36600	59.1
463.30841	6.8
463.37674	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	463.3777
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.00282	1.4
53.03929	0.7
55.01854	0.8
55.05505	17.0
57.03435	0.7
57.07067	39.4
59.04910	0.6
64.33904	0.7
67.05492	8.8
69.03384	1.0
69.07056	26.5
71.04994	0.8
71.08614	26.4
73.21861	0.6
74.76925	0.6
79.05471	6.2
81.07039	23.6
83.08599	17.0
85.10167	13.5
91.05470	5.6
91.40984	0.6
92.08929	3.4
93.07024	8.8
95.04938	1.4
95.08585	17.0
97.02902	0.7
97.06510	2.7
97.10149	9.7
99.04429	3.8
105.07015	7.7
107.04948	1.2
107.08576	6.1
109.06510	12.9
109.10143	8.6
111.08080	3.2
111.11712	5.1
119.08585	4.8
121.06480	3.9
121.10111	4.6
123.08048	12.0
123.11654	3.5
123.64860	0.7
125.05973	16.6
127.07525	24.7
131.08554	2.5
133.10104	3.7
135.08047	4.3
135.11671	2.5
137.05986	3.9
137.09584	4.8
139.07520	100.0
145.10089	1.5
147.11696	3.2
149.05963	4.0
149.09604	3.7
151.07541	7.4
151.11041	0.8
153.09161	0.8
159.08060	0.6
159.11717	2.9
159.67177	0.6
161.13283	1.0
163.07539	0.7
163.11292	0.8
165.09081	3.1
165.12766	0.8
167.07031	4.1
169.08574	2.5
173.09668	0.7
175.11208	1.0
175.14835	1.0
177.09044	12.5
179.10696	1.0
189.12772	1.1
191.10718	0.8
194.82050	0.6
201.12878	0.7
256.50150	0.7
319.29855	4.6
347.33112	7.6
373.31067	1.2
399.36160	1.4
403.35538	0.8
417.37073	7.9
425.76468	0.7
427.35510	1.4
445.36661	25.9
463.37717	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	463.3776
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.00304	1.3
54.81816	1.2
55.05505	25.3
57.07063	44.8
67.05491	9.3
69.07053	37.9
71.08611	30.0
79.05464	7.6
81.07037	35.7
83.04972	2.4
83.08595	28.1
85.10187	13.8
91.05457	7.6
92.08880	2.1
93.07029	10.5
95.08583	24.9
97.06533	6.0
97.10143	11.2
99.04436	6.5
105.07002	11.3
107.04990	1.5
107.08566	11.5
109.06503	15.6
109.10136	6.5
111.08066	3.5
111.11705	7.7
119.08578	6.8
121.06507	2.8
121.10138	7.6
123.08006	12.3
123.11693	6.6
125.05964	26.3
125.09566	1.7
127.07536	25.2
131.08537	3.0
133.10098	6.1
135.08020	2.3
137.05933	11.8
137.09607	5.6
139.07513	100.0
145.10126	2.2
147.08000	1.6
147.11697	6.0
149.05942	7.9
149.09564	2.9
149.13182	1.4
151.07521	9.8
151.11220	1.9
153.09090	1.6
161.09593	2.0
161.13257	2.8
163.07515	2.4
165.09077	6.4
169.08543	2.0
173.09647	1.9
175.11172	2.4
177.09047	12.5
179.10640	2.8
189.12764	1.8
193.12190	2.0
207.13754	2.4
319.30133	5.7
347.33066	6.7
399.36166	2.3
403.35379	1.8
417.37115	10.3
427.35522	3.0
445.30466	1.8
445.36725	53.8
463.37708	77.0
463.44449	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3779
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
50.29124	2.7
53.28742	2.9
54.17080	2.6
55.01859	5.8
55.05514	31.3
55.16123	3.1
57.07070	48.0
63.67769	3.4
67.05492	34.3
67.05786	3.0
69.03422	4.2
69.07056	67.0
71.08606	37.3
75.85590	2.9
79.05482	21.3
81.07039	76.7
83.04974	5.2
83.08600	29.3
83.58148	3.1
85.10175	20.1
91.05454	25.3
92.09007	31.2
93.07027	51.2
95.08583	76.6
95.29800	3.6
97.10154	21.7
105.07008	57.6
107.08562	59.0
107.09210	4.2
109.06506	5.2
109.10151	46.4
111.11697	16.7
117.06989	14.8
119.08577	47.7
121.10133	38.6
123.08080	14.1
123.11694	23.8
125.06016	4.8
129.07045	4.1
131.08536	30.5
133.10127	47.8
135.11670	25.5
137.13220	4.0
139.07515	5.0
143.08542	12.8
145.10103	68.8
146.51550	3.1
147.02325	3.8
147.11681	50.1
149.09555	5.1
149.13261	22.7
151.07568	6.9
151.11165	5.4
157.10110	19.0
159.11667	58.8
161.13202	31.8
163.11198	6.3
163.14792	4.9
169.08522	12.0
171.11691	12.7
173.13213	19.6
175.14838	7.8
177.12695	4.9
179.07054	4.6
185.13278	13.2
187.14830	7.0
189.16431	4.5
199.14760	21.8
201.16374	7.3
205.12158	5.4
213.16342	16.7
227.17935	6.0
233.22545	5.4
241.19458	19.1
269.19040	3.6
269.22647	4.6
275.05618	3.5
287.20193	4.4
315.23209	5.0
326.31851	3.6
329.31836	3.7
341.31790	4.3
381.35107	59.5
391.33429	7.2
399.36087	44.3
409.34494	40.8
427.35587	100.0
445.36697	38.5
463.37418	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3778
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.00288	6.1
54.66307	3.7
55.05507	51.4
56.19145	3.6
57.07063	56.8
57.46175	3.4
63.41186	4.0
64.33575	4.0
64.66988	3.6
67.05494	23.9
69.07050	93.4
70.00965	3.9
71.08616	38.0
79.05465	30.0
81.07038	87.6
83.04952	4.8
83.08613	34.5
83.46667	3.9
85.10155	7.3
91.05486	24.3
92.08887	21.7
93.07032	55.2
95.08582	86.2
97.10150	21.4
97.51648	4.4
105.07005	58.9
107.08578	76.7
109.06496	17.5
109.10157	56.7
111.11691	17.6
112.69219	3.9
115.03850	4.9
117.06997	17.2
119.08565	42.0
121.10124	44.1
123.08029	6.1
123.11669	25.3
131.08517	51.4
133.10103	32.1
135.11618	18.7
137.05945	19.0
139.07474	19.0
143.08466	7.7
145.10109	48.5
147.08067	5.4
147.11670	37.7
149.13254	24.6
151.07515	6.3
155.06982	5.2
157.10077	19.5
159.11661	51.4
161.13246	20.3
163.14795	16.6
165.09062	10.0
165.16351	4.3
171.11615	9.4
173.13245	10.1
179.06970	5.5
185.13264	10.6
187.14806	16.5
191.10638	9.6
199.14828	5.9
205.12344	5.4
226.70145	4.3
227.17900	6.0
233.15398	5.6
261.25784	5.2
263.16116	4.4
273.18533	4.8
286.18170	4.5
341.31598	6.8
343.33405	21.7
427.35416	42.5
445.36725	100.0
463.37277	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	463.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26732	4.6
55.05498	42.3
56.28310	5.2
57.07072	50.0
67.05477	8.2
69.07053	48.5
69.60693	4.4
70.37786	4.0
71.04974	46.0
71.08632	33.2
74.42947	3.9
81.07041	47.6
83.08593	27.7
85.10161	7.0
92.08900	22.4
95.08576	25.7
97.10136	21.1
99.04446	26.1
100.70987	4.4
109.06504	5.9
109.10145	11.0
111.04470	5.0
111.11697	7.7
119.08566	5.4
123.11732	5.7
125.05958	100.0
127.03876	52.2
133.10118	6.4
137.05952	52.9
149.05882	6.8
161.09607	5.0
161.13335	6.5
167.07022	24.2
212.91177	5.2
366.77209	4.9
403.35522	25.8
422.39355	6.1
437.61469	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	61.3
57.07063	67.2
68.52309	11.9
69.07047	98.5
71.04985	55.2
71.08613	31.2
81.07047	61.7
83.08601	28.5
88.58052	11.2
92.09003	54.1
95.08585	26.6
97.10146	16.4
99.04408	16.3
102.14729	13.4
125.05960	100.0
127.03891	53.1
137.05992	70.0
167.06944	16.8
186.04561	12.5
403.35635	24.9
472.00299	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	463.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66793	2.0
55.05505	31.3
57.07066	18.6
60.30126	1.6
67.05196	2.1
67.05474	19.6
69.07054	54.9
71.08599	4.2
74.33304	2.1
79.05488	9.2
79.65703	2.3
81.07036	33.9
83.08597	32.2
91.05431	4.5
92.09067	2.1
93.07014	5.1
95.08581	48.3
97.10149	14.9
105.07019	11.2
107.08580	17.3
109.06502	4.1
109.10132	19.2
109.56070	2.5
111.11698	5.3
119.08537	4.6
121.10069	2.8
123.08052	22.3
123.11684	11.0
133.06493	37.5
133.10086	3.3
135.08047	3.0
137.09581	18.2
147.56580	2.3
151.07516	87.6
153.09180	3.4
153.73099	2.3
159.11707	2.9
165.09053	2.9
169.08556	100.0
235.22174	2.2
309.75272	2.6
349.53104	2.3
374.02701	2.4
427.35593	19.4
445.36465	5.4
463.30060	3.1
463.37283	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.05504	13.8
56.05015	0.8
57.05803	0.9
67.05483	0.7
70.06583	2.4
72.08138	100.0
74.02431	2.3
83.39027	0.5
83.71852	0.5
84.08129	7.6
89.07142	0.6
91.05462	2.3
92.09167	2.6
93.07040	0.5
94.06621	0.4
95.04962	0.7
96.08147	0.6
98.09613	0.5
105.03369	0.6
106.52986	0.4
110.09700	1.0
112.07562	0.8
112.11227	17.4
119.04895	3.3
123.04445	1.9
127.48037	0.5
132.08064	0.6
136.07539	3.6
138.12794	0.6
140.07092	0.9
141.10185	1.9
146.06009	0.7
147.04417	2.5
148.07608	0.5
148.37521	0.5
155.11827	2.4
160.07558	3.7
161.09641	0.7
161.35005	0.5
165.05470	3.1
166.08583	0.6
166.12326	0.5
171.04512	0.5
177.09094	1.1
182.08102	1.0
183.11279	2.1
183.14908	0.6
185.09578	1.1
187.11198	0.6
189.09081	13.1
202.12248	17.0
211.14413	0.6
212.10638	0.6
213.09119	2.0
214.12201	0.8
230.11807	0.7
231.10118	11.3
233.09319	0.7
233.60110	0.5
248.12724	11.1
258.11261	0.8
265.15570	0.9
275.13821	3.4
276.12350	0.7
281.15027	2.0
282.18130	2.4
293.14963	0.7
301.15533	1.0
301.18823	0.5
301.88748	0.5
321.14633	0.7
330.05121	0.6
346.17624	2.6
347.15958	3.5
347.19757	2.1
392.21765	1.0
418.23541	0.5
420.21188	12.2
435.25906	2.0
445.24234	4.6
446.22806	29.6
463.25412	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	463.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.2
51.02349	0.2
53.03941	3.5
55.01861	2.6
55.05521	0.2
57.03426	1.5
61.02911	0.4
65.03931	0.5
67.05488	1.1
67.05840	0.2
68.80524	0.2
69.03414	6.8
69.03762	0.4
69.55364	0.2
71.04975	1.5
73.02901	22.5
79.05480	5.0
81.03400	11.3
81.07043	1.1
83.04949	0.3
85.02892	6.8
87.03858	0.2
91.05452	1.3
92.08949	1.2
93.03393	0.5
93.07001	0.5
95.04948	6.5
95.08614	1.0
97.02872	6.2
99.04431	1.1
105.03376	73.9
105.06989	1.0
107.08594	0.4
108.02105	0.5
109.02861	5.3
109.10157	0.3
110.03635	2.0
111.04420	1.2
119.04920	1.5
119.08562	0.3
121.10134	0.3
123.04409	6.5
125.05972	21.8
127.03891	2.9
131.08553	0.3
133.10095	0.3
137.05994	0.9
141.05444	2.1
141.06377	0.2
142.41193	0.2
145.04950	0.8
147.04358	0.5
147.11700	0.3
149.05960	2.2
151.03886	100.0
151.04924	4.2
151.07405	4.1
166.71823	0.2
179.06999	22.1
180.07579	0.3
197.08064	58.4
249.07547	6.2
267.08640	3.8
314.61676	0.3
445.12592	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1232
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
53.00283	0.1
53.03940	0.9
55.01854	0.6
55.05486	0.1
57.03422	1.1
61.02910	1.6
65.03915	0.1
66.26301	0.1
67.05498	0.2
69.03413	4.8
69.07056	0.3
71.04970	0.5
71.94425	0.1
73.02889	0.8
79.05446	0.7
81.03391	2.6
81.07025	0.7
83.01341	0.2
85.02888	10.4
85.06514	0.5
87.04455	0.5
91.03914	0.5
91.05460	0.1
91.78613	0.1
92.08858	0.5
93.07014	0.8
95.04934	0.4
95.08583	0.7
97.02869	4.1
99.04404	0.6
105.03368	1.4
105.07011	0.3
107.04924	1.8
107.08559	0.6
109.02854	1.3
109.10133	0.2
111.04428	0.1
111.08041	0.2
111.93860	0.1
119.08564	0.2
121.02840	3.1
121.10091	0.2
123.04382	0.7
124.01527	0.7
125.02293	0.6
127.03899	1.3
131.08633	0.1
133.02794	0.4
133.84743	0.1
135.04462	0.1
135.08057	0.1
141.05435	0.3
145.04887	0.8
147.04372	0.4
149.02353	0.4
151.03857	1.1
151.07452	0.1
157.06433	0.2
167.03363	4.0
175.07532	0.1
178.05026	0.1
179.03380	1.5
195.02933	0.1
197.04494	0.8
199.07545	0.5
209.13387	0.1
212.04683	0.9
213.05420	0.1
216.58658	0.1
217.08595	0.2
227.06976	1.3
230.05733	0.2
241.04857	0.2
245.08051	0.7
249.07417	0.1
255.06419	0.9
257.04385	0.9
258.05176	9.7
272.06830	1.1
273.07434	0.4
286.04657	6.8
301.07004	100.0
302.07291	1.4
365.09857	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	462.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45699	3.8
55.05507	30.4
57.07053	8.7
65.56594	3.4
67.05491	80.2
69.07043	41.1
71.04980	4.8
73.66096	3.5
78.23557	3.3
79.05470	35.6
81.07036	97.8
83.04953	5.0
83.08607	32.1
85.06524	4.2
86.75867	3.8
88.86558	3.8
91.05445	22.7
92.08708	20.5
92.09331	13.4
93.07029	49.2
93.35171	4.3
95.08591	100.0
95.52578	4.1
97.06495	7.1
97.10158	10.2
105.06979	21.1
107.08565	30.9
109.10122	40.1
111.11734	4.0
119.08541	20.5
121.10145	45.2
123.11671	10.0
131.08545	21.2
133.10083	17.2
135.11667	29.6
145.10107	6.1
147.11662	6.2
149.09583	4.4
159.11670	5.8
161.13211	5.3
163.14719	4.8
163.83717	5.2
173.13075	5.9
175.14838	5.0
189.16360	4.8
247.24179	18.3
262.26654	5.4
271.24133	8.4
289.25201	24.4
300.35901	4.9
307.26248	36.1
308.48599	4.4
325.27313	9.2
385.29370	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	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.2
53.03939	0.6
54.44785	0.6
55.01864	1.4
55.05503	1.0
57.03431	36.9
59.04993	6.2
60.04502	3.1
61.02900	3.5
64.15170	0.6
67.05487	1.4
69.03418	100.0
69.07042	1.1
71.01311	0.8
71.04967	3.5
73.02902	9.4
75.04458	6.2
79.05467	1.0
81.03407	5.4
81.07024	5.0
83.01321	0.8
83.08591	1.0
85.02893	73.6
85.06525	1.1
86.33491	0.6
87.04452	61.3
91.03920	1.1
91.05451	1.8
92.09159	1.0
93.07014	4.3
95.04948	1.2
95.08581	4.2
97.02877	67.0
97.06509	1.0
99.04434	4.5
105.03387	1.8
105.07038	6.6
107.04893	1.2
107.08588	5.0
109.02862	4.1
109.05811	1.4
109.06503	26.7
109.10110	1.7
111.04415	0.8
115.03910	64.6
119.04880	0.9
119.08564	4.4
121.06503	1.6
121.10140	1.6
123.08043	0.8
127.03859	5.6
131.08511	1.0
133.04947	62.1
133.06517	1.7
133.10098	3.3
135.08005	1.0
144.06538	0.8
145.04929	5.6
145.10117	1.5
147.04411	4.4
147.11679	1.3
148.93784	0.9
149.09583	1.8
150.07605	10.7
151.07556	1.2
151.11174	15.4
161.09560	1.5
162.05446	0.7
163.11171	1.0
169.04935	1.0
177.05429	1.0
180.08647	1.4
229.12206	1.1
241.07083	1.0
247.13339	1.2
247.16806	0.8
259.08063	3.4
265.17880	1.4
277.08945	0.8
295.10098	1.0
462.20096	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91544	0.8
53.00301	1.5
53.03936	1.4
55.01852	1.0
55.05501	1.7
57.03428	34.8
59.04991	7.1
60.04511	2.0
61.02908	1.6
67.05481	1.7
69.03414	100.0
69.07045	1.0
71.01375	0.8
71.04971	1.9
73.02892	7.2
75.04440	6.3
79.05478	1.8
81.03394	5.0
81.07027	5.3
81.98111	0.7
83.04964	3.7
85.02888	67.9
85.06528	1.9
87.04449	60.0
87.04985	2.0
91.05455	3.5
92.08822	1.0
93.07013	6.4
95.04927	1.8
95.08590	4.5
97.02868	68.0
99.04430	3.5
105.03365	4.3
105.07001	6.7
107.04958	1.8
107.08581	3.8
109.02896	0.8
109.06501	26.8
109.10107	1.6
111.08085	0.9
115.03907	61.8
119.08576	2.0
121.06484	1.2
121.10124	3.7
123.04383	0.9
123.08015	1.1
123.11685	1.6
127.03901	6.8
131.08519	1.8
133.04941	60.2
133.06512	2.0
133.10098	4.1
135.08058	1.4
145.02896	1.3
145.04967	4.4
145.10139	3.5
147.04396	1.4
150.07617	12.3
151.11150	13.4
159.11670	1.3
161.09650	1.3
163.05963	0.9
163.11192	3.2
169.04962	1.0
177.05374	1.2
180.08655	1.7
187.11121	1.9
189.09100	1.2
247.16832	1.0
259.08136	1.3
265.17914	1.3
274.94019	0.9
295.10263	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03685	0.4
52.16059	0.4
53.03928	0.9
54.18790	0.4
55.01868	0.7
55.05494	2.5
57.03425	0.9
58.32014	0.4
61.02893	1.0
63.57386	0.4
65.03934	0.7
65.90464	0.5
67.05492	6.5
69.03413	13.9
69.07047	0.7
70.67387	0.5
71.04960	2.4
72.51084	0.5
75.44695	0.5
79.05469	5.1
81.03388	2.7
81.07040	4.9
81.07449	0.7
83.04958	5.1
85.02884	12.8
87.04427	0.6
89.06028	0.5
91.05456	7.6
92.09087	1.3
93.03388	0.8
93.07016	12.1
95.04945	14.3
95.08583	6.4
97.02884	4.6
97.06481	2.5
99.04426	1.2
102.50951	0.5
103.05421	0.6
105.06293	0.6
105.07003	16.2
107.04926	0.9
107.08569	7.4
109.02834	2.1
109.06494	10.4
109.10121	3.0
111.04414	8.8
111.08038	2.9
113.05977	4.9
115.05352	0.7
116.06211	0.5
116.07057	0.5
117.06987	4.1
119.04897	2.5
119.08549	21.1
121.02831	3.3
121.06482	12.9
121.10094	4.7
123.04384	0.7
123.08038	9.8
125.05968	0.9
125.09571	0.8
127.03881	1.9
128.06216	0.9
129.06975	3.5
130.07716	0.7
131.08528	13.1
133.06453	3.4
133.10106	6.1
135.08025	22.5
137.05980	0.8
137.09561	4.6
139.03862	2.6
139.07532	1.0
141.06970	1.2
142.07761	3.0
143.08559	6.3
144.09267	1.0
145.04948	0.6
145.06473	4.5
145.10091	12.5
146.07178	1.0
147.04359	7.2
147.08011	14.3
147.11696	3.6
148.45012	0.5
149.05896	2.3
149.09566	3.9
151.07555	1.1
154.07755	0.6
155.08540	2.8
156.09305	3.1
157.10094	6.3
158.07205	5.6
158.10904	0.9
159.08017	13.9
159.11658	12.4
160.08794	0.6
161.09570	13.6
161.13095	0.6
163.07481	0.7
165.09073	7.7
168.09276	1.9
169.10135	0.8
171.07993	2.5
171.11603	3.6
172.08791	6.2
173.09601	7.1
173.13197	8.6
175.07494	20.3
175.08911	1.1
175.11124	12.1
181.06461	0.8
181.10114	1.0
183.11626	4.2
185.09587	3.2
185.13130	0.7
186.10345	2.2
187.07597	0.9
187.11136	11.5
187.90268	0.5
189.09064	5.8
189.12695	5.5
193.08565	5.2
193.10077	1.3
196.08789	2.8
199.11122	8.7
201.08943	0.6
201.12688	11.4
203.10611	11.8
205.12230	3.0
207.10086	2.1
211.11133	8.1
217.12183	7.7
219.13794	3.6
219.96741	0.6
229.12170	10.2
235.13196	2.6
247.13232	28.2
265.14276	100.0
366.00974	0.6
380.61786	0.6
397.79248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62978	0.2
53.03943	0.5
54.82074	0.2
55.01858	0.4
55.05184	0.2
55.05497	0.5
56.34445	0.2
57.03427	1.0
59.04980	0.2
61.02902	0.2
61.74422	0.2
62.06059	0.2
67.05496	0.8
69.03413	3.9
69.07053	0.4
71.04974	1.3
72.08131	0.2
73.02886	0.4
74.09715	0.8
79.05482	1.4
81.03398	6.3
81.07045	1.4
83.04971	0.8
83.08606	0.9
84.08185	0.2
85.02892	4.9
85.06527	1.3
86.09695	0.9
87.04436	0.3
89.03893	3.3
90.35397	0.2
91.05444	2.4
92.08746	0.3
92.09241	0.4
93.07034	1.2
95.04975	1.5
95.08579	0.9
97.02867	4.1
97.06519	1.0
99.04415	1.7
103.05421	2.0
105.03368	9.0
105.07014	1.3
106.03684	1.5
106.06552	0.3
107.04944	1.0
107.08585	1.5
109.02861	2.5
109.06516	0.9
109.10133	0.5
111.04423	1.0
111.08067	0.7
113.05975	0.2
117.03360	18.3
117.07004	0.3
119.04918	0.9
119.08543	1.3
120.08081	2.7
121.02857	0.4
121.06486	0.8
121.08429	0.7
121.10099	0.7
123.04420	1.0
123.08073	0.5
124.04752	0.3
125.05948	0.3
127.03902	1.4
129.05441	0.2
130.06419	0.2
130.23357	0.2
131.04898	4.5
131.08557	1.2
133.10085	0.8
134.03612	0.9
135.04408	1.7
135.08046	0.4
136.07600	0.3
137.05943	0.3
137.09525	0.2
139.03915	0.2
143.08463	0.2
145.02824	69.0
145.10075	0.4
147.04416	0.5
147.08003	0.3
149.04756	0.3
149.05959	7.7
159.11700	0.4
163.03835	1.0
163.07516	0.2
165.09125	0.2
177.05429	100.0
178.05780	0.9
186.05525	0.3
189.12622	0.2
195.06529	1.0
196.09734	0.3
205.12195	0.3
207.10112	0.7
209.11482	0.2
212.50441	0.2
218.28130	0.2
219.13873	0.3
223.13234	1.3
235.12141	0.5
236.12564	0.3
247.16930	0.4
249.07545	1.0
265.14255	2.4
267.08578	0.5
268.08862	0.3
274.68842	0.2
283.11688	0.4
299.13821	1.6
300.14264	1.4
321.09561	3.4
335.35007	0.2
339.10733	7.1
461.19113	0.5
462.19016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62978	0.2
53.03943	0.5
54.82074	0.2
55.01858	0.4
55.05184	0.2
55.05497	0.5
56.34445	0.2
57.03427	1.0
59.04980	0.2
61.02902	0.2
61.74422	0.2
62.06059	0.2
67.05496	0.8
69.03413	3.9
69.07053	0.4
71.04974	1.3
72.08131	0.2
73.02886	0.4
74.09715	0.8
79.05482	1.4
81.03398	6.3
81.07045	1.4
83.04971	0.8
83.08606	0.9
84.08185	0.2
85.02892	4.9
85.06527	1.3
86.09695	0.9
87.04436	0.3
89.03893	3.3
90.35397	0.2
91.05444	2.4
92.08746	0.3
92.09241	0.4
93.07034	1.2
95.04975	1.5
95.08579	0.9
97.02867	4.1
97.06519	1.0
99.04415	1.7
103.05421	2.0
105.03368	9.0
105.07014	1.3
106.03684	1.5
106.06552	0.3
107.04944	1.0
107.08585	1.5
109.02861	2.5
109.06516	0.9
109.10133	0.5
111.04423	1.0
111.08067	0.7
113.05975	0.2
117.03360	18.3
117.07004	0.3
119.04918	0.9
119.08543	1.3
120.08081	2.7
121.02857	0.4
121.06486	0.8
121.08429	0.7
121.10099	0.7
123.04420	1.0
123.08073	0.5
124.04752	0.3
125.05948	0.3
127.03902	1.4
129.05441	0.2
130.06419	0.2
130.23357	0.2
131.04898	4.5
131.08557	1.2
133.10085	0.8
134.03612	0.9
135.04408	1.7
135.08046	0.4
136.07600	0.3
137.05943	0.3
137.09525	0.2
139.03915	0.2
143.08463	0.2
145.02824	69.0
145.10075	0.4
147.04416	0.5
147.08003	0.3
149.04756	0.3
149.05959	7.7
159.11700	0.4
163.03835	1.0
163.07516	0.2
165.09125	0.2
177.05429	100.0
178.05780	0.9
186.05525	0.3
189.12622	0.2
195.06529	1.0
196.09734	0.3
205.12195	0.3
207.10112	0.7
209.11482	0.2
212.50441	0.2
218.28130	0.2
219.13873	0.3
223.13234	1.3
235.12141	0.5
236.12564	0.3
247.16930	0.4
249.07545	1.0
265.14255	2.4
267.08578	0.5
268.08862	0.3
274.68842	0.2
283.11688	0.4
299.13821	1.6
300.14264	1.4
321.09561	3.4
335.35007	0.2
339.10733	7.1
461.19113	0.5
462.19016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.2
53.45352	0.4
55.01863	12.8
55.05502	0.7
57.03429	9.7
60.04530	1.6
61.02915	9.5
66.10303	0.5
67.05495	1.1
68.99776	4.2
69.03414	42.8
69.07053	1.0
71.01345	0.5
71.04977	7.9
73.02901	11.8
79.05463	2.9
81.03398	40.3
81.07033	2.8
83.01318	2.0
83.04959	1.0
83.08581	0.5
85.02888	100.0
85.06530	2.6
87.00809	45.3
87.04457	1.1
91.03947	4.5
91.04482	0.6
91.05460	3.8
92.08973	0.9
93.07034	3.9
95.04941	18.9
95.08586	3.0
97.02868	35.0
97.10120	0.5
98.06038	1.2
99.04429	17.3
101.02371	0.9
105.01845	25.1
105.03387	2.7
105.07001	7.3
107.04917	0.5
107.08579	2.4
108.04464	8.4
109.02863	36.6
109.06511	2.9
109.10168	0.9
111.08083	0.6
113.02361	0.6
115.03937	1.7
117.01840	5.6
117.06990	0.6
118.04247	0.5
119.08570	2.6
121.06535	0.7
121.10130	2.2
123.04406	4.1
125.09640	0.6
126.05495	4.4
127.03889	48.6
129.01813	4.0
131.08528	1.9
133.06445	4.0
133.10109	0.8
137.05945	7.6
137.09569	3.6
140.04688	6.3
144.06572	0.5
145.04935	19.1
145.10107	1.1
147.02887	1.2
147.11646	0.9
147.17702	0.5
149.13269	0.6
153.05426	3.6
154.08644	0.7
155.07013	4.6
159.02856	19.2
159.11694	0.7
161.13306	0.6
163.07506	0.6
165.09079	51.6
167.03404	0.9
182.09250	3.8
187.14902	0.9
195.10085	0.9
197.11694	91.2
209.11777	2.1
212.05537	0.7
213.03949	2.4
223.09593	1.0
230.06720	0.8
231.04958	8.5
248.07672	4.9
266.08670	1.1
301.07028	10.9
305.13379	0.6
332.80420	0.5
341.51474	0.5
371.52496	0.5
383.61960	0.6
467.10342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55343	0.2
51.02360	0.4
53.03942	5.0
55.01861	0.4
55.05496	1.6
57.03416	2.0
57.07047	0.4
61.02915	0.7
63.40639	0.3
67.05491	1.6
69.03416	8.7
69.07045	0.5
71.04974	2.2
72.08109	0.4
73.02897	0.8
77.03905	0.5
79.05471	6.7
81.03397	14.5
81.07025	2.9
83.04967	0.4
83.08593	0.3
85.02895	13.3
85.06532	1.4
87.00812	2.0
91.05463	1.4
92.08881	1.8
92.09406	0.4
93.07029	4.4
95.04955	8.7
95.08595	1.8
97.02869	11.4
97.06515	0.5
99.04434	3.4
103.05453	0.4
105.03377	100.0
105.07009	2.6
107.04925	0.5
107.08585	1.8
109.02862	9.5
109.06506	0.8
109.10151	1.7
111.08043	0.7
119.08585	1.5
121.02855	0.6
121.10140	1.8
123.04411	11.4
125.09569	0.5
127.03907	8.9
131.04915	2.5
131.08525	0.9
133.02832	4.9
133.06477	1.4
133.10104	1.5
135.04396	0.7
135.11691	0.5
137.05966	0.5
137.09612	0.7
140.04659	0.8
145.04985	2.0
145.10104	0.8
147.04456	0.4
147.11699	0.6
149.09596	0.6
151.03938	0.5
155.06973	0.4
155.93484	0.3
159.02917	0.3
159.11638	0.4
161.09630	0.7
161.13277	0.4
165.09068	5.2
173.13313	0.5
175.11180	0.4
179.03365	34.8
180.03635	0.6
189.16603	0.5
197.11696	9.3
197.13478	0.4
243.80948	0.3
249.07516	13.2
267.08597	13.7
397.93851	0.4
404.26535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55343	0.2
51.02360	0.4
53.03942	5.0
55.01861	0.4
55.05496	1.6
57.03416	2.0
57.07047	0.4
61.02915	0.7
63.40639	0.3
67.05491	1.6
69.03416	8.7
69.07045	0.5
71.04974	2.2
72.08109	0.4
73.02897	0.8
77.03905	0.5
79.05471	6.7
81.03397	14.5
81.07025	2.9
83.04967	0.4
83.08593	0.3
85.02895	13.3
85.06532	1.4
87.00812	2.0
91.05463	1.4
92.08881	1.8
92.09406	0.4
93.07029	4.4
95.04955	8.7
95.08595	1.8
97.02869	11.4
97.06515	0.5
99.04434	3.4
103.05453	0.4
105.03377	100.0
105.07009	2.6
107.04925	0.5
107.08585	1.8
109.02862	9.5
109.06506	0.8
109.10151	1.7
111.08043	0.7
119.08585	1.5
121.02855	0.6
121.10140	1.8
123.04411	11.4
125.09569	0.5
127.03907	8.9
131.04915	2.5
131.08525	0.9
133.02832	4.9
133.06477	1.4
133.10104	1.5
135.04396	0.7
135.11691	0.5
137.05966	0.5
137.09612	0.7
140.04659	0.8
145.04985	2.0
145.10104	0.8
147.04456	0.4
147.11699	0.6
149.09596	0.6
151.03938	0.5
155.06973	0.4
155.93484	0.3
159.02917	0.3
159.11638	0.4
161.09630	0.7
161.13277	0.4
165.09068	5.2
173.13313	0.5
175.11180	0.4
179.03365	34.8
180.03635	0.6
189.16603	0.5
197.11696	9.3
197.13478	0.4
243.80948	0.3
249.07516	13.2
267.08597	13.7
397.93851	0.4
404.26535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3623
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
53.04603	3.0
54.81636	3.1
55.05500	25.0
57.07054	7.5
67.05495	16.8
69.07055	44.4
71.04962	4.5
71.08611	4.4
79.05465	7.0
81.07041	34.1
83.08609	16.9
87.09460	3.6
93.07022	15.3
93.20380	4.0
95.05008	3.4
95.08574	29.9
95.63612	4.2
97.10142	5.6
99.04456	3.9
102.32883	3.4
105.07010	7.9
107.08564	18.6
109.06506	20.0
109.10137	7.9
111.11713	5.5
117.03304	4.5
119.08580	6.0
121.10136	6.2
121.81580	3.5
123.08116	5.2
123.11667	4.4
125.05958	57.2
133.06485	21.2
133.10161	5.9
135.08060	5.0
137.05960	100.0
145.02840	7.5
145.10112	5.0
151.07526	39.8
161.05956	22.1
165.09117	4.1
167.07036	8.2
177.05481	7.2
179.06966	86.5
182.94719	3.5
194.78249	3.8
415.35901	4.9
425.33957	4.0
443.35117	56.0
461.36618	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81585	3.4
55.01862	3.6
55.05502	44.5
57.07056	22.9
61.42573	2.1
63.13856	2.4
67.05495	22.4
68.54093	2.2
69.07053	86.5
69.07407	4.7
70.54317	2.2
71.04970	32.0
71.08616	14.4
79.05486	11.3
81.07039	77.9
82.09304	2.4
83.08607	40.8
84.64737	2.9
85.10189	4.5
91.05467	3.8
92.09014	22.4
93.07035	23.6
95.08583	62.1
97.10169	29.4
99.04442	20.9
105.07020	6.2
107.04992	2.4
107.08582	13.1
109.06486	18.1
109.10152	27.4
111.11710	16.6
119.08558	9.3
121.06552	3.2
121.10139	10.6
123.11694	11.9
125.05967	100.0
125.06837	5.3
125.13145	3.7
127.03895	39.6
129.70784	2.3
133.10143	3.1
135.11725	4.6
137.05952	73.8
137.13240	4.0
139.07516	12.0
147.11737	3.6
149.05983	3.3
151.07541	11.3
153.90511	2.5
159.11617	4.1
161.09564	2.6
161.13248	2.5
165.09068	9.9
167.06973	31.2
177.09099	14.2
201.12825	3.4
205.12213	5.9
208.22920	2.9
219.13734	2.9
231.45454	3.5
317.32330	3.1
375.13690	3.2
397.34488	4.7
401.34094	3.5
425.33823	5.4
443.34998	6.2
461.32080	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	461.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.6
53.38942	2.4
55.01898	2.6
55.05504	50.0
57.07068	65.0
67.05489	19.6
69.07053	62.0
71.04974	4.7
71.08615	43.1
79.05468	16.4
81.07039	74.7
82.02595	2.8
83.04964	3.2
83.08608	33.7
85.10158	14.0
91.05435	15.1
92.08815	3.2
93.07012	24.7
95.08585	48.2
97.10152	20.6
99.04408	21.9
105.07017	17.1
107.04941	4.3
107.08588	19.7
109.06509	34.7
109.10136	28.2
111.04459	5.4
111.11729	5.1
114.38028	3.3
117.07030	4.4
119.08538	5.4
121.06496	14.8
121.10128	11.9
123.04413	14.1
123.08010	4.4
123.11683	11.2
127.03877	29.5
131.08559	11.7
133.06493	4.6
133.10133	3.2
135.08018	4.6
135.11629	5.6
137.05948	100.0
144.09306	6.0
145.10034	21.0
149.05943	14.3
149.09685	3.5
151.07521	19.6
157.10211	4.3
159.11710	29.2
161.09535	5.1
161.13237	4.5
163.07552	4.0
165.12791	3.2
169.10062	4.5
171.11705	4.4
172.08832	6.1
173.09586	49.9
173.13322	5.6
175.11087	4.1
177.05417	34.2
177.09090	14.0
177.12682	4.3
183.06523	3.9
187.11113	35.8
191.10661	7.3
195.06522	16.9
205.12228	6.9
215.10536	3.7
219.13745	5.6
235.73988	3.2
249.48032	3.2
306.94250	3.4
317.31735	4.5
335.32877	5.6
383.32959	31.6
397.34341	13.7
401.33984	38.6
425.33957	5.1
443.35245	24.3
461.36230	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3621
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
55.01862	4.7
55.05500	43.7
57.07060	79.7
67.05484	21.4
69.07054	73.2
71.04944	4.6
71.08614	41.3
74.47520	4.4
79.05456	11.7
81.07032	80.3
83.08615	34.4
83.09054	4.7
85.10152	11.1
90.69054	5.0
91.05457	10.8
93.07013	25.2
95.08582	62.3
97.10139	25.9
99.04414	12.2
105.07000	23.8
107.08559	25.9
107.24602	5.1
109.06488	29.4
109.10124	24.6
111.08072	6.6
111.11726	7.3
112.85919	4.5
119.08570	10.8
121.10087	8.0
123.08050	9.0
123.11653	22.2
125.05939	9.7
127.03898	20.4
131.08543	8.6
134.29936	4.9
135.07997	7.8
135.11623	6.5
137.05940	100.0
137.13300	5.6
143.08624	5.1
145.10085	19.9
149.09579	9.5
151.07458	18.5
157.10156	5.6
158.07143	7.4
159.11650	32.7
163.07555	6.5
171.11624	9.1
172.08705	6.5
173.09578	60.8
173.13174	6.8
175.11098	7.6
177.09109	11.0
187.11070	37.1
205.12222	11.6
219.13446	6.2
278.14545	4.9
295.72165	5.0
337.42404	4.7
383.32977	43.9
397.34756	11.5
401.34222	38.7
404.47046	5.0
404.67120	5.0
425.33813	9.6
443.35284	34.8
461.36163	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	461.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.2
55.05495	58.5
57.07070	72.6
65.16238	6.3
67.05460	15.9
69.07058	68.9
69.95811	6.5
71.08608	32.9
79.05473	16.1
81.07033	100.0
83.08595	40.2
85.10183	12.1
91.05475	16.3
92.08882	7.3
93.07040	10.6
95.08595	57.9
96.65533	7.1
97.10122	18.3
99.04430	30.4
105.07032	9.4
107.08530	10.1
109.06528	12.7
109.10122	10.5
111.11700	14.3
119.08585	9.5
125.05962	10.8
127.03868	41.4
131.08553	9.5
137.05937	66.3
141.01532	7.4
143.88025	7.3
149.13206	9.8
153.05405	9.1
159.11662	11.6
165.09087	8.1
173.09569	19.0
176.08688	7.2
181.19701	7.1
183.06491	38.4
217.96243	7.8
324.47037	7.4
401.34113	55.6
406.93915	7.6
461.36075	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79948	4.6
55.05498	30.9
57.07069	56.3
67.05486	22.3
69.03398	5.4
69.07046	47.3
71.08623	29.5
77.81675	5.1
78.78658	4.4
79.05472	11.6
81.07037	100.0
83.08595	37.9
85.10179	11.6
91.05436	9.5
92.08974	23.8
93.07037	12.0
93.41506	5.2
95.08588	43.1
97.10141	21.3
99.04443	7.5
101.42471	5.2
102.92252	5.1
105.07037	6.8
107.08584	11.3
109.06493	9.3
109.10142	24.2
111.11749	7.3
119.08551	5.0
123.11698	9.7
127.72341	4.8
131.08556	6.6
137.05965	84.4
145.10147	11.5
151.07561	6.6
158.07283	6.6
159.11681	39.9
172.08775	6.6
173.09613	68.8
175.11192	5.8
177.12631	6.1
187.11107	58.4
191.10672	9.2
205.12219	11.5
311.48087	5.8
342.65976	5.9
383.32999	40.0
397.34601	5.6
401.33838	28.0
411.69778	6.4
443.35318	42.3
461.35806	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	461.3623
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
51.80982	4.8
53.41831	3.9
55.05505	37.8
57.07066	50.2
67.05491	28.4
69.07053	78.4
70.07384	6.3
71.08617	27.8
71.56095	4.7
79.05489	10.4
81.07042	100.0
81.07494	9.4
83.01324	22.6
83.08595	27.7
85.10154	5.2
91.05463	10.5
92.08864	13.3
93.07031	46.1
95.08580	72.6
97.10162	21.9
99.04423	6.6
105.07027	26.3
107.08569	39.2
109.06493	10.7
109.10128	53.9
111.11680	8.7
117.06988	8.3
119.08534	10.9
120.20420	5.3
121.06483	9.7
121.10136	33.8
123.07974	6.3
123.11685	32.3
125.05961	5.3
131.08569	25.0
133.10123	8.1
135.08080	19.9
137.05972	19.8
137.13263	5.1
139.07526	7.1
145.10080	10.6
149.05994	10.6
149.13295	8.8
151.07529	56.2
151.81238	5.2
153.05502	5.1
159.11676	6.9
163.07558	11.7
164.37451	5.8
165.09117	6.3
173.09599	6.9
177.09117	36.5
179.10608	7.1
189.90532	5.0
191.10664	23.3
205.12175	10.2
215.14355	4.7
401.34042	27.3
415.35620	8.2
425.34158	6.3
443.34991	35.3
461.35983	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	5.0
53.03948	4.8
55.01867	9.4
55.05498	50.5
55.38255	4.5
57.03429	9.5
57.07084	6.2
59.48388	4.7
67.05486	100.0
69.07050	37.7
71.04987	4.9
73.07576	4.3
79.05471	89.8
81.07032	96.5
83.04971	11.8
83.08606	27.3
91.05451	96.5
92.09000	49.2
92.29637	4.5
93.07016	76.7
95.04944	12.4
95.08586	64.2
97.06493	6.8
97.10166	20.8
103.05425	5.4
104.37707	4.7
105.07006	88.7
107.04945	10.4
107.08592	44.7
109.06495	8.3
109.10142	32.6
117.06995	54.2
119.08549	47.4
121.06498	12.0
121.10103	23.2
123.08012	9.5
125.19173	5.2
128.06215	11.5
129.06984	67.7
131.08549	55.1
133.06464	6.8
133.10139	25.1
135.08044	10.3
135.11700	7.2
141.06970	30.1
142.07747	6.4
143.08536	48.7
145.06485	9.6
145.10123	37.8
147.08046	9.3
147.11682	21.1
155.08537	42.6
157.10097	18.5
159.08041	6.0
159.11653	8.2
161.09569	6.1
163.11154	4.7
167.08459	8.2
169.10118	31.4
171.07994	6.2
171.11708	11.5
175.11179	5.8
176.23488	5.1
179.08600	6.0
181.10106	24.8
183.11679	11.6
185.13237	6.0
187.14787	7.7
191.13727	4.9
195.11688	8.7
197.13275	17.8
215.14191	6.2
221.13232	7.6
221.88544	5.4
223.14835	6.8
259.91241	5.5
271.16962	5.3
314.12033	5.5
315.74973	5.4
323.23615	6.8
333.21869	8.5
341.24741	9.7
351.23148	29.6
369.24084	32.3
387.24973	6.5
443.28000	64.8
444.74597	6.0
461.29031	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01865	0.7
55.05508	20.9
57.03423	0.8
57.05797	0.8
67.05476	0.8
69.03410	2.7
70.06578	1.2
71.04974	1.2
72.08142	100.0
79.05482	0.9
81.03415	2.1
81.07030	2.9
82.06564	1.2
83.04956	2.1
84.08124	0.7
85.02886	1.2
85.06522	1.1
86.09688	0.8
89.07116	1.2
91.05445	2.5
92.09042	2.9
93.07021	1.2
94.06575	0.7
95.04928	1.0
95.08618	0.5
97.02859	1.1
98.05991	0.6
98.09674	12.7
103.39913	0.6
105.03377	7.6
105.07019	0.6
108.08107	2.3
109.02839	0.7
110.06004	0.9
110.09668	1.3
117.03336	0.6
118.06673	0.6
119.04899	6.8
119.07257	0.8
120.05222	0.9
120.08090	1.3
121.09966	0.6
123.04428	2.1
130.06543	0.6
136.07588	4.7
145.02866	2.6
147.04398	14.5
148.04718	7.0
153.10262	1.2
156.06535	5.1
164.07146	0.8
172.08803	2.8
177.05444	4.4
178.07030	0.8
181.09784	0.7
181.13315	2.8
182.08122	3.0
182.09671	0.7
185.09503	1.5
198.09137	0.7
200.10699	3.1
202.12259	3.1
204.10187	1.2
207.14857	1.3
217.10995	2.0
217.13306	1.0
226.08730	0.6
227.11728	0.6
228.10123	5.5
229.08553	2.1
229.13362	1.3
230.11768	1.2
232.09698	3.4
235.14430	1.1
240.10231	0.8
243.11377	0.6
245.12825	16.3
246.11252	8.0
252.17096	2.3
253.11000	2.1
255.11320	2.9
256.09747	1.1
263.13852	2.4
267.08820	0.8
273.12286	21.1
273.15411	1.3
274.10785	3.1
280.16531	1.0
281.12762	0.8
282.11377	0.9
289.15805	0.8
291.13342	16.6
299.13828	6.2
301.15314	0.7
302.10098	0.6
316.16492	1.2
319.12820	6.7
327.13461	2.3
327.16986	3.5
334.17639	2.3
345.14368	4.4
345.17990	0.6
362.17032	5.9
372.19040	0.8
373.17484	1.3
390.20251	11.0
416.21835	0.8
418.19653	18.7
433.24420	4.1
443.22775	2.9
444.21237	9.8
461.23862	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	461.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46767	0.3
53.03923	3.0
54.82016	0.5
55.01848	2.0
55.05272	0.7
55.05504	13.0
55.28395	0.4
57.03428	10.7
58.25684	0.4
59.43217	0.5
61.02902	2.4
62.38794	0.4
65.03913	0.8
67.05490	33.1
69.03403	1.9
69.07057	8.0
71.04964	1.0
73.02892	0.6
73.06534	1.0
76.56593	0.5
77.99686	0.5
79.05472	47.7
80.23428	0.4
81.03395	6.8
81.07037	30.6
81.44170	0.4
82.47835	0.4
83.04962	15.3
83.08605	3.9
85.02889	3.2
85.06519	2.7
87.04464	0.7
89.03908	0.4
91.03943	0.7
91.05459	34.1
93.07021	43.4
93.45164	0.4
95.04943	15.1
95.08008	0.8
95.08580	17.8
97.02856	2.2
97.06493	2.8
97.10131	2.3
98.96632	0.4
100.35310	0.4
100.69825	0.4
103.05441	1.0
104.34119	0.5
105.03362	2.9
105.04501	1.1
105.07013	26.8
107.04942	5.3
107.08569	12.0
109.06502	4.7
109.10119	4.3
111.08080	0.7
117.03378	0.8
117.07005	6.0
119.08555	16.6
120.20122	0.4
121.06448	1.1
121.10112	2.4
123.08015	3.1
125.09544	0.5
128.06168	0.8
129.06981	8.9
131.04871	2.1
131.08577	2.5
133.06503	0.6
133.10124	7.2
135.04350	0.9
135.08041	1.0
135.11681	2.0
143.08511	5.0
145.02756	0.7
145.10117	7.7
147.04366	0.9
147.08040	2.1
147.11661	20.5
159.11691	0.7
161.09593	3.0
161.13222	8.0
163.02617	0.5
163.03812	3.2
164.04202	2.3
165.04390	0.7
166.29042	0.5
171.11642	13.0
189.12701	4.9
189.36476	0.5
207.13777	7.6
281.17404	100.0
324.10867	0.5
396.17792	0.5
431.27435	0.5
443.22641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	41.1
57.07061	8.8
61.63481	3.0
67.05503	44.6
69.03377	3.8
69.07058	55.7
71.04968	5.9
74.03886	3.4
79.05477	30.8
81.06587	7.1
81.07032	92.8
83.08594	17.2
83.52764	3.9
91.05468	26.4
92.08713	7.9
92.09261	8.2
93.07018	88.1
95.08579	94.1
97.06503	5.0
97.10159	6.9
105.07005	45.7
107.08575	100.0
109.06488	7.5
109.10150	58.1
119.08561	47.3
121.10121	51.0
123.11681	18.2
131.08580	5.7
133.10117	28.8
135.11667	50.6
145.10123	8.7
147.11702	18.7
148.49716	4.1
149.13316	5.2
159.11693	6.9
161.13217	15.2
175.14853	4.4
182.74522	3.8
189.16467	5.9
189.91226	3.9
191.17912	17.2
217.19502	5.6
313.01923	4.2
362.70956	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	460.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40017	1.0
51.71827	1.0
53.03940	1.3
55.05504	25.8
56.56599	1.0
57.07063	7.8
59.04984	3.0
67.05495	36.2
69.07054	54.1
71.04984	8.6
76.78592	1.1
78.11832	1.0
79.05468	18.0
81.07037	100.0
83.05023	1.3
83.08603	22.9
84.08127	6.5
85.06532	3.0
88.21619	1.3
91.05459	18.1
92.08821	5.9
93.07021	64.3
95.04933	2.9
95.08586	78.8
95.09203	2.7
97.06516	1.4
97.10152	5.5
98.51588	1.2
100.44643	1.2
100.73164	1.2
101.81313	1.1
105.07010	45.4
107.08576	65.5
109.06506	6.9
109.10142	64.9
111.08064	9.6
111.11698	2.6
114.14293	1.3
117.07008	5.2
119.06107	1.2
119.08553	44.1
121.10117	39.4
123.11674	27.7
129.07014	1.3
131.08537	13.5
133.10103	32.3
133.67424	1.3
134.87120	1.3
135.11673	32.6
137.13254	13.3
143.08563	3.0
145.10092	17.2
147.11670	27.5
149.13220	17.4
151.11201	13.3
157.10135	6.4
159.11649	22.6
161.13239	14.4
163.14767	10.7
167.73920	1.5
171.11641	5.2
173.13226	11.1
175.14764	15.2
177.16267	9.3
179.14122	1.7
183.11737	1.8
185.13295	5.3
187.14758	9.3
189.16360	10.0
191.17935	4.8
199.14803	6.4
201.16441	7.0
203.17932	9.9
213.16357	6.4
215.17947	5.9
217.19533	2.6
229.19537	5.5
231.21129	2.0
241.19441	2.7
243.20950	2.0
257.22562	1.9
259.24167	2.7
269.22601	1.5
269.26569	1.3
285.25821	2.5
297.26166	1.5
299.27399	2.8
325.28860	8.5
343.29916	2.2
407.36496	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	460.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25819	0.4
53.00287	0.9
53.03933	1.2
55.05502	13.8
57.07067	5.6
58.65604	0.6
63.90757	0.4
65.03915	1.0
67.05488	23.4
67.05848	0.7
67.74981	0.6
69.07052	46.9
71.08610	1.3
76.21619	0.5
79.05470	15.6
81.07034	100.0
83.04924	0.8
83.08601	9.6
85.06528	0.8
91.05457	9.7
92.08999	2.2
93.07019	31.5
95.04950	0.8
95.08582	48.3
97.10139	3.3
105.07007	30.5
107.08578	33.1
109.10138	33.3
111.11707	1.0
117.07017	2.8
119.08557	25.5
121.10117	23.6
123.11658	10.1
126.42822	0.6
129.06952	1.2
131.08539	10.6
133.10088	11.9
135.11653	13.9
137.13237	6.5
142.07770	0.8
143.08536	3.6
144.09354	0.8
145.10101	12.8
147.10582	1.1
147.11659	17.3
149.13249	9.3
156.09381	1.0
157.10080	7.0
158.10909	1.0
159.11630	17.4
161.13214	9.1
163.14806	3.9
171.11650	5.2
172.12476	0.7
173.13199	8.4
175.14793	5.9
183.11612	0.7
185.13206	3.9
187.14790	6.3
189.16447	4.7
191.17891	2.6
197.13193	0.8
199.14778	3.9
201.16315	6.0
203.17993	4.2
203.41968	0.7
213.16338	3.3
215.17891	5.6
217.19498	2.5
227.17885	3.0
229.19487	1.1
239.17867	0.8
241.19530	1.1
243.20956	0.8
244.47330	0.6
255.21069	2.9
257.22556	5.1
269.22632	1.1
271.24139	1.0
279.40747	0.6
283.24170	0.7
296.34756	0.6
325.28894	5.5
351.30215	1.0
407.36713	8.8
479.09256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	2.8
53.03926	2.7
55.05505	33.7
57.07067	15.4
60.12354	1.7
62.82896	1.6
65.03912	2.4
67.05147	2.2
67.05490	52.6
69.06706	3.5
69.07051	56.4
79.05476	27.0
81.07036	95.1
83.08601	32.4
85.36176	1.9
91.05456	34.0
92.08787	13.4
92.09411	4.8
93.07019	87.2
95.04945	4.0
95.08580	83.4
97.10139	11.9
105.07010	54.6
107.08566	100.0
109.06509	2.8
109.10140	86.4
117.06992	7.9
119.08552	65.4
121.10108	48.5
123.11691	27.4
130.07738	2.3
131.08543	16.6
133.10091	39.8
135.11665	56.7
137.13231	14.1
143.08521	11.1
144.09291	2.6
145.10118	26.4
147.11659	30.0
149.13222	28.6
151.14735	2.4
157.10092	13.7
159.11656	34.5
161.13194	23.1
163.14774	12.3
171.11647	10.0
173.13194	13.9
175.14787	8.6
177.16335	3.9
185.13223	10.9
187.14803	10.3
189.16335	14.7
191.17998	3.4
199.14754	7.9
201.16336	12.3
203.17932	7.9
211.14848	2.1
213.16264	4.2
215.18001	7.7
227.17955	2.6
229.19467	3.3
231.20970	2.4
255.20860	2.6
269.22498	2.5
289.88071	2.2
317.76993	2.2
325.28751	2.4
351.30310	3.4
407.36679	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	460.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
55.01870	1.6
55.05509	12.4
57.03444	2.2
61.02900	2.3
67.05486	15.3
69.03420	13.9
69.07051	13.5
70.06580	1.6
71.04978	32.5
76.56054	1.2
79.05466	20.9
81.03408	6.6
81.07048	24.7
82.75613	1.2
83.04971	2.3
83.08606	2.1
85.02895	23.8
85.06527	100.0
87.04470	1.4
89.03896	10.0
90.04218	2.2
91.05458	21.4
93.07021	44.6
93.07565	2.2
95.04951	7.9
95.07999	1.8
95.08585	25.3
97.02886	7.2
97.06522	6.6
97.66847	1.2
99.04482	4.7
100.11259	1.8
103.05484	1.3
105.03364	16.3
105.06364	2.5
105.07016	48.0
107.04923	2.2
107.08572	27.6
109.02876	1.8
109.06509	5.1
109.10155	7.8
111.08066	88.9
113.06106	1.3
117.03360	10.7
117.07003	7.8
118.03732	5.1
119.08562	35.5
121.06469	1.6
121.10140	10.6
123.04434	2.1
123.08023	1.9
125.09705	1.9
127.03906	4.8
129.07010	5.8
130.07771	6.1
131.08537	14.7
133.10124	15.3
135.04385	29.2
135.08054	1.3
135.11702	8.7
136.04729	14.8
137.09581	1.8
139.11182	1.7
142.07773	6.6
143.08557	13.0
144.09315	5.0
145.02846	14.8
145.04918	1.3
145.10103	71.3
146.03131	9.9
147.11688	15.7
149.09694	1.2
151.11185	4.9
155.08540	1.8
156.09338	5.7
157.10106	21.0
159.11679	19.4
161.13184	1.9
163.03876	57.6
163.05174	2.4
163.11163	7.8
164.04219	44.6
170.10838	1.6
171.11676	17.0
173.13255	2.9
177.12735	8.2
185.13193	11.0
199.14833	2.7
200.12778	10.4
201.16418	5.1
203.14310	1.9
209.58797	1.2
217.15710	1.1
227.17935	6.7
245.18962	33.4
263.20090	4.9
267.08426	1.7
298.20480	1.5
442.94159	1.5
452.24170	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.3
53.03926	1.7
55.01861	1.7
55.05499	0.4
57.03428	6.1
57.07066	18.7
59.04964	0.3
61.02912	11.7
63.04475	17.0
69.03411	17.6
71.04968	2.5
72.08130	0.6
73.02904	4.0
78.62893	0.3
81.03397	6.3
83.01336	0.8
83.01859	0.3
85.02885	100.0
87.04441	2.5
91.03920	4.0
92.08984	0.6
97.02870	23.9
99.04430	4.6
101.02369	0.5
101.09653	0.5
103.03913	1.3
109.02854	9.5
115.03922	0.5
119.10665	41.8
127.03888	18.5
127.04814	0.7
137.77724	0.4
138.42786	0.3
145.04935	21.8
163.05969	10.1
174.09158	0.3
281.15979	2.5
299.77875	0.3
325.11285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.2
53.03932	1.4
55.01867	1.9
55.02103	0.3
55.05500	0.4
57.03428	4.8
57.07069	8.6
59.04979	0.3
61.02916	8.7
69.03415	14.6
70.06584	0.3
71.01328	0.5
71.04979	2.1
73.02895	4.1
81.03397	5.8
83.01325	0.4
83.08611	0.4
85.02890	100.0
86.09699	0.3
87.04453	3.4
89.22140	0.2
90.60225	0.2
91.03934	6.7
92.08876	1.0
92.98286	0.2
97.02868	22.9
98.12990	0.3
99.04436	3.9
101.02373	0.5
101.09630	0.4
102.23357	0.2
103.03893	0.5
105.03391	0.5
109.02871	7.7
115.03912	1.0
119.10663	2.6
123.04431	0.9
124.90571	0.2
127.03896	21.9
129.10188	0.3
130.94403	0.2
133.06503	0.3
134.96950	0.2
136.07538	0.4
140.96158	0.2
145.04938	37.7
147.04376	0.3
148.04199	0.3
157.06494	0.5
163.05981	17.0
173.05878	0.3
175.41127	0.2
185.05870	0.4
199.07527	0.4
217.08646	0.3
219.12236	0.3
225.09660	19.2
227.07011	0.3
245.08261	0.3
289.09009	0.3
325.11200	3.1
331.35123	0.2
350.86691	0.2
387.15054	0.3
425.43225	0.2
458.93683	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96995	0.4
51.02335	0.4
51.63237	0.5
53.03933	6.0
55.01862	6.7
55.05505	0.7
57.03433	4.8
57.59124	0.4
61.02901	3.3
63.75585	0.4
67.05484	1.1
68.99770	2.2
69.03415	23.4
71.04971	3.8
73.02892	5.1
76.56115	0.5
79.05482	5.8
79.42777	0.4
81.03398	23.0
81.07024	1.0
83.04958	1.8
85.02887	51.1
85.06522	0.9
86.67596	0.5
87.00810	25.9
88.96645	0.5
89.03893	15.8
90.04247	5.0
91.03934	2.0
91.05450	3.0
91.14758	0.5
93.07004	2.1
95.04935	4.5
95.08576	2.1
97.02869	20.5
97.06490	1.1
98.06033	0.8
99.04438	10.5
101.02377	0.5
103.05457	1.0
105.01856	11.9
105.03375	13.4
105.06999	3.6
106.03718	1.1
107.04937	33.4
107.08560	1.9
108.04453	4.5
108.05217	1.0
109.02859	18.3
111.04414	0.5
111.08034	0.7
113.09653	0.6
115.03907	1.9
115.05426	2.2
117.01920	3.5
117.03358	19.1
117.06994	1.2
118.03691	7.2
119.08556	1.1
123.04437	1.1
125.05981	0.6
126.05479	3.0
127.03885	26.6
128.84515	0.6
129.01775	2.3
129.06989	0.6
131.08498	0.7
133.10068	0.9
135.04391	40.0
135.08022	9.3
136.03758	0.8
136.04726	15.1
137.05959	0.6
145.02826	22.9
145.04904	7.8
145.06003	0.6
145.06528	0.4
145.07578	0.5
145.10106	1.1
146.03166	10.8
147.02815	0.8
159.02864	10.7
159.10228	0.6
159.11700	0.7
161.13138	0.5
163.03871	100.0
163.07497	28.9
164.04204	49.9
167.07011	9.6
177.05412	1.9
180.07765	0.6
189.03938	0.5
189.09009	1.1
191.07027	0.6
193.60667	0.5
195.10130	43.9
205.08699	0.7
207.10028	1.0
213.03853	0.8
218.18294	0.5
230.06702	0.7
231.04907	5.0
233.14920	0.5
236.41638	0.5
248.07600	2.3
266.08514	0.7
267.08643	0.6
285.11154	0.6
303.12552	0.7
438.18774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36131	0.3
53.03941	5.1
53.43353	0.3
55.01869	4.8
56.14679	0.3
57.03424	4.1
60.04501	0.6
61.02914	3.2
63.02354	0.5
67.05492	0.9
68.99760	1.6
69.03413	17.0
69.07055	0.6
71.04974	2.8
73.02898	3.6
77.63651	0.3
79.05477	4.7
81.02933	0.8
81.03398	18.4
81.07020	0.6
83.01300	0.5
83.04974	0.6
84.03782	0.4
85.02887	37.7
85.06520	0.9
87.00813	18.6
87.04453	0.4
89.03896	14.3
90.04222	3.7
91.03930	1.6
91.05456	1.5
93.07001	1.9
95.04934	4.3
95.08582	0.9
96.05283	0.4
97.02878	13.6
97.06505	0.5
98.06020	0.5
99.04434	7.8
103.05454	1.0
105.01859	7.0
105.03361	7.9
105.07007	3.7
106.03707	0.7
107.04939	25.2
107.08535	0.9
108.04449	3.2
108.05256	1.5
109.02863	12.4
109.10198	0.5
113.09650	0.7
115.03885	0.6
115.05429	1.6
117.01898	2.7
117.03353	19.2
117.07010	0.9
117.31132	0.4
118.03687	6.4
119.08558	0.7
121.06401	0.6
121.10101	0.5
123.00010	0.4
123.04409	0.8
123.08017	0.7
126.05494	1.6
126.64437	0.4
127.03892	19.4
129.01810	2.0
129.06984	0.4
131.08551	0.7
133.10094	0.7
135.04391	40.5
135.08026	6.5
135.74876	0.4
136.04730	17.5
142.07817	0.6
145.01675	0.8
145.02832	23.7
145.03946	0.9
145.04889	6.7
146.03169	10.8
147.02872	0.6
147.04359	0.6
147.07941	0.5
147.11647	0.6
159.02853	6.9
159.07921	0.5
159.11630	0.6
163.03871	100.0
163.07504	21.2
164.04205	45.4
167.07002	5.5
177.05415	1.4
180.07816	1.8
187.07565	0.6
189.03871	0.6
189.09036	0.4
191.07028	0.6
193.08571	0.4
195.10124	28.1
205.08575	0.4
207.10162	0.8
213.03880	0.6
219.10115	0.5
231.04999	1.9
248.07611	2.4
258.99832	0.4
261.07544	0.5
267.08524	0.6
274.90869	0.4
352.07855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.1
54.81932	0.5
55.01868	14.1
55.05497	0.6
56.59263	0.5
57.03430	8.6
60.04513	1.2
61.02919	9.5
61.65046	0.5
61.86271	0.5
66.97704	0.6
68.99776	4.4
69.03418	41.3
71.01364	0.5
71.04980	7.4
73.02903	10.2
79.05482	0.9
80.04983	0.6
81.03401	46.4
83.01337	2.4
85.02892	100.0
87.00815	45.1
87.01366	1.0
87.04450	0.8
89.03896	0.7
91.03938	4.0
91.05433	1.4
92.08935	2.8
95.04955	1.1
97.02871	41.2
97.34124	0.6
98.06041	1.4
99.04431	19.3
103.05445	10.3
104.48351	0.6
105.01852	28.3
105.03353	5.3
105.07006	4.0
107.04953	11.2
108.04475	9.0
109.02866	44.2
109.43582	0.6
115.03911	2.4
115.05471	0.9
117.01843	7.5
117.03316	0.8
118.73121	0.5
120.05694	1.1
126.05457	4.2
127.03898	52.2
129.01018	0.5
129.01807	5.4
131.04932	2.9
135.04463	0.7
135.08038	10.8
139.03864	4.8
144.06573	0.9
145.02895	1.1
145.04935	20.1
147.02870	1.5
154.06230	50.0
159.02866	18.9
163.03865	5.9
163.07513	33.7
164.04158	1.1
167.06984	1.3
180.07811	1.3
195.10143	72.1
196.10599	0.7
213.03925	0.9
230.06641	2.3
231.04948	10.5
248.07674	5.4
249.06068	0.9
266.08722	2.3
270.63281	0.6
303.12326	0.7
335.60205	0.7
352.78876	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3466
Annotation	Nanjiol C
Peak:m/z	Relative Intensity
53.00296	1.9
53.03938	1.8
55.01856	5.2
55.05504	40.2
57.06815	1.3
57.07069	26.5
57.14010	0.9
59.04990	1.1
63.14542	1.3
67.05494	29.2
69.03404	2.0
69.07053	78.7
70.27701	1.1
71.04977	9.8
71.08611	12.2
79.05473	25.3
81.03384	1.1
81.07037	100.0
82.07317	1.2
83.04961	7.7
83.08600	34.2
85.06541	1.5
85.10165	2.3
89.20506	1.0
91.05473	9.9
91.43465	1.4
92.09130	6.7
93.07024	39.8
95.04948	5.7
95.08586	72.2
97.06484	5.6
97.10141	20.3
98.57423	1.0
99.04438	29.0
105.07018	15.8
107.08576	30.3
109.06506	11.6
109.10136	41.5
111.04414	10.9
111.08040	5.0
111.11699	7.6
117.06969	2.1
119.04875	1.4
119.08551	19.3
121.06516	2.0
121.10125	23.8
123.08002	2.8
123.11696	17.7
125.05955	16.9
125.09644	1.5
127.03893	58.0
131.08524	7.1
133.06450	2.2
133.10081	11.3
135.08041	2.6
135.11682	10.9
137.05957	68.1
137.09627	2.9
137.13194	5.2
139.07544	1.4
139.11119	1.3
141.05429	6.7
142.07790	2.6
143.08527	4.9
144.09334	4.1
145.04947	2.7
145.10112	8.0
147.11700	9.4
149.05949	1.4
149.09622	6.4
149.13251	9.8
151.07523	11.5
151.14798	2.1
153.05431	1.8
155.07027	5.8
157.10086	12.4
159.11684	10.6
161.09593	5.5
161.13213	6.7
163.11186	1.4
163.14793	7.4
165.09091	4.9
167.06998	7.3
171.08022	1.5
171.11732	4.4
173.09593	5.3
173.11090	1.1
173.13184	2.5
175.11171	5.9
175.14749	2.3
176.15271	1.3
177.09088	9.8
177.16368	2.2
177.39410	1.3
179.07115	1.2
179.17953	1.4
183.06487	17.3
185.09586	7.8
187.11136	2.5
187.14731	1.3
188.08310	6.8
189.09059	2.9
189.16339	2.6
191.10617	1.9
203.10635	41.9
203.17966	1.8
205.19598	1.9
217.12129	2.2
219.13702	2.5
221.22461	1.2
227.14183	1.4
235.09535	1.7
275.27246	7.8
315.30496	5.1
333.31390	7.3
353.31595	1.6
381.31421	4.9
395.32916	1.4
399.32501	20.8
417.33459	2.7
441.33566	7.4
459.34549	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05500	14.0
57.07055	7.3
59.05007	1.2
66.94581	1.6
67.05485	28.7
69.03412	3.1
69.07047	22.1
70.05729	1.3
71.04967	2.7
71.08678	1.2
75.67265	1.4
75.69698	1.3
79.05474	26.8
81.07036	58.0
83.04961	3.3
83.08616	11.9
91.05461	26.0
92.09081	1.7
93.07023	55.1
95.04937	9.0
95.08580	100.0
96.08914	1.7
97.06521	3.3
97.10155	7.1
99.04464	1.7
105.07012	55.5
105.07741	1.8
107.04971	2.1
107.08575	85.2
109.06499	11.1
109.10136	44.3
111.08085	2.9
117.07016	11.2
119.08563	59.9
121.06493	10.5
121.10117	62.6
123.08040	7.5
123.11688	18.3
125.06008	2.5
129.06964	2.0
130.07773	2.6
131.08546	31.4
133.10104	50.6
135.08041	16.6
135.11690	29.9
137.05943	6.7
137.09572	2.4
137.13252	2.0
142.07770	3.2
143.08516	13.2
144.09306	2.2
145.06470	1.7
145.10104	58.0
147.08052	7.2
147.11652	33.2
149.09605	6.7
149.13246	26.5
151.07565	2.0
155.08566	6.2
156.09341	8.3
157.10075	17.9
158.10884	6.3
159.08055	6.7
159.11662	31.5
161.09561	14.0
161.13202	18.9
163.03799	13.0
163.07469	3.0
163.11169	9.9
163.14786	23.8
165.09032	2.3
169.10097	6.0
170.10861	3.2
171.11641	12.7
173.09599	6.4
173.13213	21.0
175.11179	6.3
175.14780	33.1
177.16362	28.1
179.17920	2.9
183.11748	2.2
185.13197	6.1
187.11162	2.9
187.14763	34.0
189.12737	9.8
189.16371	18.3
191.14270	7.1
191.17909	18.8
195.11667	1.9
197.13274	1.8
199.14758	6.7
201.12708	2.8
201.16396	3.3
203.14311	16.2
203.17969	30.1
205.15852	7.9
207.13728	1.8
209.15250	2.7
213.16347	2.3
215.14302	11.0
215.17973	2.5
217.15834	3.3
217.19435	2.0
225.16356	2.0
229.15826	2.2
231.21086	1.8
233.15309	14.1
251.16273	14.9
259.16870	2.1
263.16138	1.9
281.17447	3.7
317.55447	1.6
374.56140	1.5
387.30099	1.9
393.31451	2.7
405.31485	12.6
423.32394	7.9
441.33630	19.2
459.34698	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
53.37510	1.7
54.69780	1.7
55.05502	21.8
57.03420	3.0
57.07067	3.3
58.56943	1.8
65.94974	1.9
67.05495	34.6
69.03049	1.7
69.03416	3.7
69.07056	32.4
71.04988	4.9
79.05470	31.4
81.06591	4.1
81.07045	77.8
83.04971	4.1
83.08615	20.3
89.03944	2.8
91.05453	29.9
92.08633	6.4
92.09255	15.7
93.06487	3.6
93.07030	60.9
95.04942	8.9
95.08585	99.0
97.06519	4.6
97.10162	16.7
105.03394	3.5
105.07018	73.5
107.08582	100.0
109.06515	10.9
109.10136	73.0
111.08059	2.9
117.06996	10.7
119.08549	69.3
121.06492	16.0
121.10125	63.9
121.36964	2.1
123.08034	11.2
123.11689	46.0
129.06993	4.1
130.07777	2.7
131.08539	29.8
133.10104	62.4
135.04373	3.6
135.08055	11.0
135.11661	28.9
137.05890	2.8
142.07741	3.4
143.08548	12.0
145.02878	2.8
145.06435	2.0
145.10118	49.6
147.08012	8.5
147.11658	36.9
149.09654	8.7
149.13254	38.3
151.07481	3.4
155.08565	3.2
156.09306	9.7
157.10100	17.0
159.08023	3.3
159.11671	29.3
161.09608	12.7
161.13196	25.5
163.03897	19.8
163.07527	2.5
163.11177	4.3
163.14775	48.2
167.08537	2.3
169.10117	4.7
171.11667	19.7
173.09547	7.8
173.13200	24.0
175.11174	10.3
175.14796	67.1
177.12712	2.8
177.16325	62.2
179.17915	18.5
182.89520	2.1
183.11658	2.4
185.13269	8.4
187.14784	24.8
189.12715	9.2
189.16312	27.2
191.14275	4.2
191.17911	18.6
199.14838	10.8
201.12747	8.5
201.16350	5.0
203.14311	10.5
203.17924	52.6
207.17378	2.7
213.16350	2.9
215.14328	4.8
217.15729	3.9
217.19705	2.2
219.13821	8.2
233.15434	15.2
245.15327	3.4
251.16263	8.2
263.16306	3.2
281.17471	9.7
335.25745	2.3
393.31467	11.4
405.31403	7.8
413.34015	3.5
423.32532	16.5
441.34161	15.4
441.39194	3.0
459.34503	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	459.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01856	1.3
55.05510	9.9
55.05717	1.0
56.54051	1.0
57.03418	5.7
57.07058	2.7
59.04969	1.7
67.05202	1.1
67.05499	20.0
69.03410	17.4
69.07058	17.7
71.04974	7.1
79.05468	8.2
81.03387	8.0
81.07039	26.1
83.04972	11.9
83.08604	9.0
84.08150	1.6
85.02886	17.7
85.06519	5.3
86.09671	2.1
87.00808	5.7
91.05446	5.5
93.07021	15.7
95.04928	5.7
95.08589	42.7
97.02849	5.6
97.06526	2.8
97.10146	2.5
99.04395	1.4
99.08052	1.7
100.11223	2.7
105.01834	2.0
105.03374	24.2
105.07016	11.3
106.03716	4.6
107.08587	23.6
109.02866	6.5
109.06503	12.8
109.10143	100.0
111.08073	1.8
117.06929	1.1
119.08559	32.8
121.10124	15.4
123.04440	2.4
123.08050	13.4
123.11629	9.3
125.09594	1.5
127.03921	8.3
133.10114	19.8
135.11668	87.1
137.09583	13.2
139.11128	4.9
142.13525	1.1
145.10132	1.9
147.11633	1.7
149.13268	5.6
151.11168	11.1
151.14784	10.0
153.12776	1.2
157.12119	1.3
165.16278	2.3
175.14783	31.6
182.15416	2.3
193.15849	51.5
211.16899	46.5
267.08658	1.4
406.92093	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25486	0.1
53.00277	0.1
53.03948	1.0
55.05507	0.3
63.02365	0.2
65.03943	0.2
67.05502	1.3
69.03408	0.5
77.03914	0.5
79.05476	2.4
81.03391	0.2
83.04963	1.7
85.02888	0.2
89.03899	8.8
92.08951	0.6
93.03389	0.7
95.04948	7.1
101.74895	0.1
105.03376	32.1
105.04523	1.1
106.03750	0.2
106.04476	0.1
107.04943	3.0
111.04401	2.0
114.84142	0.1
117.03361	13.1
123.04391	1.6
135.04396	29.0
139.03883	0.6
145.02832	20.4
163.03877	100.0
164.04243	0.2
197.01118	0.2
215.02257	0.2
261.07535	7.7
279.08591	0.8
319.08066	2.1
441.05582	0.2
441.11694	6.5
476.65555	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	459.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81934	0.1
55.05504	0.3
65.03928	0.7
67.05489	0.6
69.03413	0.2
69.07044	0.5
72.56886	0.1
79.05466	0.2
81.03383	1.1
81.07046	0.7
83.04974	0.1
85.02888	0.5
91.05460	8.2
93.07012	0.5
95.04937	0.2
95.08579	0.5
97.06527	0.2
105.03377	1.1
105.06998	0.3
107.08533	0.2
109.02856	0.2
109.06478	0.2
109.10133	0.6
116.04996	0.1
117.03294	0.1
118.16925	0.1
119.04919	28.9
119.08579	0.6
122.61252	0.1
125.09510	0.1
126.85420	0.1
127.03829	0.1
131.08476	0.2
133.10129	0.2
135.04422	0.4
135.11679	0.2
137.09621	0.2
139.67198	0.1
143.08513	0.1
143.26508	0.1
145.02908	0.1
147.04388	100.0
148.04723	0.5
151.07483	0.2
163.03867	1.2
164.10669	0.1
165.05417	0.3
165.09062	1.9
291.08459	0.5
309.09662	0.2
322.44766	0.1
331.01425	0.1
356.62857	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	459.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01856	0.2
55.05503	0.1
57.03423	0.1
59.92772	0.1
61.78322	0.1
62.01566	0.1
63.02337	0.7
65.03920	0.2
66.49412	0.1
67.05488	0.5
67.65469	0.1
69.03420	0.5
69.07053	0.2
77.03901	0.1
79.05470	3.6
81.03364	0.1
81.07030	0.5
83.04958	1.0
85.02887	0.2
85.06526	0.1
89.03893	16.8
91.00406	0.1
91.05461	0.2
92.08899	0.7
93.03374	0.2
93.07014	0.5
95.04944	3.8
95.08567	0.2
97.02860	0.2
105.03369	25.3
105.04515	0.8
105.06992	0.5
106.03721	0.1
107.04207	0.2
107.04937	5.1
107.08585	0.5
109.10156	0.2
111.04427	1.6
117.03353	20.1
118.03702	0.1
119.04880	0.1
119.08569	0.4
121.02801	0.2
123.04392	0.6
129.05431	1.4
129.99072	0.1
135.04387	42.2
135.11627	0.1
136.04727	0.1
139.03860	0.9
145.02827	24.5
145.10013	0.1
146.03241	0.1
147.04416	0.2
147.06488	0.5
153.87199	0.1
157.04877	0.9
159.11681	0.1
163.03867	100.0
164.04224	0.5
175.05945	0.5
175.14883	0.1
179.10472	0.1
186.05499	0.1
251.09415	0.1
261.07495	0.2
279.08585	2.6
297.09616	2.2
337.08963	0.2
441.11758	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	459.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05201	0.1
50.81012	0.1
53.03939	0.2
54.81844	0.1
55.59691	0.1
57.16738	0.1
59.55903	0.1
62.01601	0.1
63.02369	0.6
67.05483	0.1
79.05471	2.3
89.03896	12.3
92.09003	0.5
95.04948	1.4
105.03365	2.7
105.04510	0.2
107.04937	4.3
111.04364	0.1
117.03357	17.4
123.04362	0.1
126.60155	0.1
130.51614	0.1
135.04390	36.0
145.02827	21.4
145.03729	0.7
158.05724	0.1
163.03870	100.0
164.04236	0.2
175.62633	0.1
195.71184	0.1
261.07477	0.4
279.08527	0.2
337.09085	0.5
420.97934	0.1
441.11545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85974	0.1
53.03932	0.8
55.01873	0.1
55.05500	0.1
58.07555	0.1
61.30584	0.2
63.02378	0.6
63.35032	0.1
67.05500	0.3
69.03407	0.8
69.88242	0.1
77.03938	0.1
77.51166	0.1
79.05469	3.7
81.03412	0.1
83.04961	1.1
85.02869	0.2
89.03897	17.4
91.05465	0.3
92.09088	0.3
93.03408	0.2
93.07014	0.2
95.04942	4.1
95.08591	0.3
97.02856	0.2
105.03372	23.9
105.04527	0.9
105.07001	0.3
107.04942	5.4
107.05614	0.2
107.08566	0.3
111.04418	1.4
117.03358	20.4
119.04884	0.1
121.02857	0.3
121.10123	0.1
123.04398	0.8
124.10432	0.1
129.04562	0.2
129.05392	1.1
135.04391	44.2
139.03870	0.8
145.02826	23.5
147.04414	0.2
147.06519	0.6
157.04953	0.9
163.03871	100.0
164.04247	0.6
175.06006	0.3
220.27045	0.1
250.00496	0.2
277.72498	0.1
279.08563	2.3
297.09674	1.8
354.04382	0.2
375.72543	0.2
470.05289	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82378	2.0
52.89347	1.9
53.03928	3.8
53.97354	2.0
55.01852	2.4
55.05506	19.3
57.07074	4.8
65.53337	2.5
67.01245	2.3
67.05503	32.4
69.07059	26.8
71.04961	3.3
72.03085	2.7
75.07867	2.2
79.05468	30.5
81.06596	4.2
81.07043	88.5
83.08597	11.6
85.06525	24.6
88.42399	2.1
91.05463	35.9
92.08891	13.3
93.07023	88.9
95.04917	5.5
95.08584	68.2
97.10160	4.1
99.08108	2.4
105.07020	100.0
107.08588	65.3
109.10130	38.9
111.08049	2.7
113.09633	5.0
117.06997	3.9
119.08564	55.4
121.10117	46.5
123.11686	16.9
125.09620	2.6
131.08534	15.4
133.10114	28.1
135.08034	4.5
135.11722	21.9
145.10107	13.4
147.11671	27.7
149.13239	23.6
157.10069	4.9
159.11665	16.2
161.13222	24.9
163.14789	12.3
169.09952	3.7
171.11697	3.0
173.13225	10.9
175.14771	5.2
187.14720	4.1
189.16287	10.9
231.21057	5.1
238.10992	3.3
262.75638	2.7
295.17410	4.9
296.17621	4.1
455.49850	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	458.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.3
53.03938	2.4
55.01862	2.5
55.05515	0.3
57.03423	6.4
59.04977	0.4
61.02910	10.1
61.03845	0.3
67.05476	0.5
69.03414	20.4
69.07068	0.5
71.01266	0.3
71.04967	3.4
73.02892	3.5
74.52605	0.3
79.05464	2.1
81.03396	9.9
81.07018	0.4
83.01350	0.4
83.04946	0.4
85.02885	100.0
85.06523	2.3
86.09692	1.3
87.04452	2.1
91.03925	4.8
91.05463	1.3
92.08653	0.3
92.09168	0.8
93.07036	1.9
95.04955	2.2
95.08607	0.7
97.02863	25.6
97.06493	0.8
99.04427	4.9
101.02337	1.4
103.03906	0.5
103.64820	0.3
105.03368	28.1
105.06982	0.8
106.03716	0.4
106.90716	0.3
107.04984	0.5
109.02860	11.1
111.08064	0.4
115.03912	0.7
119.04898	0.4
121.06464	0.4
121.10058	0.4
123.04394	3.7
123.08066	0.7
123.34608	0.3
127.03883	20.7
127.07527	0.5
131.04951	1.3
131.08521	0.4
133.10112	0.7
137.09621	0.4
139.07489	0.6
145.04932	28.3
145.08566	0.4
145.10225	0.4
147.04402	1.8
163.03937	0.5
163.05980	12.6
172.58827	0.3
177.05429	0.6
241.71298	0.3
249.07562	2.7
267.08606	4.9
279.18042	1.3
287.05527	2.0
323.38358	0.4
325.11356	0.4
441.07947	2.2
458.24139	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.0
54.82302	0.5
55.01857	2.7
55.05263	0.7
55.05504	12.9
57.03424	6.7
59.04974	0.5
61.02910	9.1
69.03415	20.6
69.07045	1.0
70.06571	0.8
71.01338	0.6
71.04968	4.4
71.99295	0.5
73.02901	4.8
74.87172	0.5
74.99774	0.4
79.05466	11.3
81.03399	7.6
81.07035	70.3
83.04958	0.8
83.08591	3.2
84.08103	1.2
85.02886	100.0
86.03247	0.7
87.04456	2.3
87.24440	0.5
91.03937	5.9
91.05454	0.7
92.08960	0.6
92.65010	0.6
95.04933	2.2
97.02864	26.7
97.06523	0.8
98.97562	1.0
99.04441	4.2
99.08071	28.3
101.02298	0.5
103.03914	0.8
109.02856	8.5
109.06492	0.6
110.07166	5.3
110.31345	0.6
111.08044	0.6
115.03901	2.5
116.98584	0.8
117.09118	3.8
127.03886	22.7
128.98602	0.7
133.04948	2.7
140.04649	3.4
143.76094	0.5
145.04933	30.5
146.99591	0.6
155.06995	0.7
161.06038	0.5
163.05988	13.2
175.60011	0.5
199.05984	0.9
219.01660	0.7
225.11320	0.8
229.10559	0.6
234.59006	0.5
237.02805	1.1
243.12283	0.6
247.11713	0.8
261.13281	3.7
278.62817	0.7
289.09137	0.8
291.03735	0.6
325.11154	4.3
417.07028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77447	0.2
53.03927	0.2
55.01858	0.2
63.02351	0.3
67.05484	0.3
69.03415	1.6
69.07069	0.4
71.04977	1.1
77.59305	0.2
79.05459	0.4
81.03387	3.9
81.07062	0.5
85.02890	2.6
85.06546	0.3
89.03891	5.7
91.05447	0.6
92.08798	1.4
92.09412	0.5
93.07015	1.2
95.04938	1.3
95.08569	0.3
97.02895	1.2
97.06534	0.3
99.04418	0.4
105.03387	5.8
105.07011	0.5
107.08608	0.3
109.02868	1.3
111.08047	0.3
117.03354	26.6
119.04930	0.4
121.06490	0.4
123.04376	0.5
127.03912	0.6
134.03589	2.0
135.04391	2.2
137.05969	0.6
139.07579	0.3
144.71432	0.3
145.02824	85.9
147.04370	0.5
149.04747	0.4
149.05952	11.3
149.07088	0.5
155.08527	2.1
162.03052	0.3
163.03882	0.6
165.06972	0.4
166.08749	0.3
177.05428	100.0
178.05753	0.4
183.08055	3.1
195.06465	0.6
202.79738	0.3
210.06659	0.3
211.07481	1.3
215.10658	2.5
225.09015	0.4
228.07825	0.4
243.10100	7.0
249.07500	0.4
261.11099	1.2
267.08389	0.6
321.09549	1.6
339.10733	2.2
405.15347	0.6
457.23874	0.5
458.23825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05270	3.2
55.05505	64.0
56.18099	2.0
57.07070	37.0
67.05188	2.8
67.05492	44.4
69.07054	100.0
69.75320	2.2
70.06573	4.5
71.08612	23.3
74.58524	2.1
81.07038	66.3
83.08598	69.0
85.10159	10.0
87.36799	2.4
88.07600	5.4
92.09145	8.7
95.08017	2.7
95.08587	61.0
97.10144	61.7
102.09133	2.5
109.10159	30.4
111.11689	27.3
123.11672	13.8
125.13263	5.5
137.13269	3.1
141.70717	2.4
176.71935	2.4
191.06660	2.5
200.20078	13.1
201.20499	2.9
283.26178	4.3
284.26593	5.1
403.43008	17.3
421.44189	4.2
442.54187	2.5
457.35147	4.0
457.44348	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	458.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26505	0.2
55.01858	0.5
56.05027	0.4
57.03434	1.8
60.04510	0.3
61.02910	1.0
68.04988	0.4
69.03413	3.9
70.06577	70.5
71.01369	0.2
71.04975	0.3
72.08143	0.3
73.02892	1.2
74.06069	0.3
74.38565	0.2
77.52696	0.2
81.03398	1.0
81.07029	0.2
83.04976	0.3
84.04489	4.5
84.04948	0.3
84.08130	1.0
85.02893	8.7
86.06057	1.5
86.09687	1.7
87.04438	1.7
88.03979	0.9
91.03964	0.2
92.08941	0.3
97.02867	3.0
98.97564	1.1
99.04427	1.7
99.08091	0.3
102.05514	1.6
103.03915	0.3
104.07092	0.8
106.04995	0.3
109.02830	0.3
110.07165	0.4
113.02350	0.4
116.07069	100.0
116.98614	0.4
119.01866	1.1
120.01933	0.2
126.05492	0.4
127.03916	3.2
130.04993	1.7
130.08621	0.4
131.01839	0.3
132.10152	0.3
135.04359	0.5
137.02861	0.2
143.01860	1.0
144.06560	0.3
145.03714	0.2
145.04932	2.1
146.99649	0.3
148.06038	2.4
157.03423	0.4
158.99638	0.5
161.02939	2.0
162.07542	0.3
163.03806	2.0
170.03540	0.2
173.02966	1.0
175.04399	0.9
177.00665	0.5
185.02922	1.1
187.04521	0.2
189.00638	0.3
191.03848	0.5
192.55513	0.2
201.00751	0.3
203.03934	1.0
215.03906	0.2
219.01672	0.5
221.04961	0.3
223.06496	0.5
237.02919	0.3
239.04227	0.3
241.07663	0.2
245.05002	2.3
246.05113	0.2
257.05283	0.5
261.09290	0.2
265.07556	0.4
266.07724	0.3
273.58066	0.3
275.06055	0.3
365.09308	0.3
372.16528	0.2
425.10846	0.4
458.44592	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3676
Annotation	Bacosine
Peak:m/z	Relative Intensity
52.75578	0.7
53.03939	0.9
54.15571	0.9
55.05501	15.0
57.07064	7.9
57.09994	0.7
67.05492	19.5
69.07057	17.9
71.05026	0.9
73.78933	0.9
79.05472	12.2
81.07039	58.6
81.82426	1.1
83.08607	8.7
85.06551	1.4
85.57172	0.9
91.05450	7.1
92.09103	4.1
93.07021	28.7
93.07558	1.4
95.08587	100.0
97.06515	1.2
97.10183	6.0
105.07016	22.5
107.08581	46.8
107.09280	1.6
109.06490	1.6
109.10148	50.0
111.08098	1.2
111.11703	1.1
117.06978	1.5
118.03535	0.9
119.08556	50.0
121.10133	38.3
123.11679	33.6
125.09615	1.2
131.08604	5.6
133.10101	29.8
133.11021	1.5
134.94414	0.9
135.11674	27.1
137.13242	24.0
137.14238	1.4
143.08623	1.2
145.10123	11.2
147.11674	29.0
149.13248	15.4
151.14862	1.3
153.09161	4.6
157.10130	2.2
159.11699	9.6
161.13242	15.6
163.14793	18.9
165.09082	1.0
167.10570	1.3
169.10190	1.2
171.11708	4.8
173.13268	9.8
175.14787	12.5
177.16383	10.9
179.10713	1.2
179.17976	5.7
182.23308	0.9
185.13293	1.8
187.14801	9.0
189.12767	1.1
189.16351	53.0
189.69370	1.0
191.17941	27.2
197.13318	1.2
199.14835	2.4
201.16316	9.7
203.17937	42.7
205.19576	5.7
207.17439	4.0
213.16328	10.5
215.17920	26.4
217.12315	3.7
217.15877	1.6
217.19606	6.0
221.18990	2.3
227.17912	1.3
229.19557	2.0
231.17567	1.0
231.21187	5.6
235.16995	4.6
241.19485	2.8
249.18452	7.4
257.22787	3.7
259.16876	7.5
259.24393	1.4
261.18442	12.3
269.17252	1.0
269.22787	1.1
301.21762	1.1
393.35211	7.6
411.36078	14.8
411.40671	1.1
439.35770	29.6
457.36887	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	457.3675
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
51.31351	1.1
53.03940	1.6
53.11749	0.9
55.05504	7.5
57.07075	2.2
58.41506	1.2
64.40871	1.4
66.18304	1.3
67.05481	12.0
69.03430	1.6
69.07055	10.9
71.04998	2.2
79.05490	7.2
81.07033	26.4
83.04995	2.0
83.08604	4.7
91.05466	10.7
93.07026	20.8
94.07368	1.5
95.08585	36.1
97.06531	3.1
97.10179	2.2
100.20850	1.2
105.07008	19.4
105.07536	1.2
106.07368	2.0
107.08576	33.8
107.09274	1.3
108.08926	2.1
109.06487	1.7
109.10146	25.3
111.08085	2.5
117.07037	2.5
119.08558	29.9
121.06527	1.9
121.10126	25.6
123.11712	9.8
125.09686	1.6
131.08574	7.7
132.53453	1.4
133.10129	22.5
135.08104	6.5
135.11661	19.0
137.09705	1.4
137.13257	2.9
143.08554	2.5
145.10126	13.8
147.08040	2.0
147.11694	14.8
149.09651	7.2
149.13258	11.0
153.09166	1.4
157.10164	5.9
159.11700	8.4
161.09587	3.3
161.13269	11.3
163.14848	7.6
169.10248	1.5
171.11710	2.4
173.13246	6.8
175.11230	5.4
175.14894	8.2
177.16408	5.9
185.13185	1.9
187.14874	8.4
189.12842	2.2
189.16380	18.6
191.18022	6.1
201.16310	5.4
203.14426	2.8
203.17902	10.9
213.16479	1.9
229.19553	1.8
231.17393	2.3
235.17075	6.5
249.18571	1.8
303.23279	1.7
406.42935	1.5
411.36383	1.7
413.80154	1.4
439.35727	6.5
457.36847	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	457.3673
Annotation	3alpha-Hydroxyolean-12-en-27-oic acid
Peak:m/z	Relative Intensity
53.03941	0.8
55.05506	10.1
56.32669	0.4
57.07069	11.1
58.94993	0.4
59.43356	0.5
59.84991	0.4
61.70364	0.5
63.02225	0.4
63.72845	0.4
63.96019	0.5
64.33306	0.5
65.03931	0.6
67.05493	24.7
69.03398	0.7
69.06709	0.8
69.07054	15.9
79.05469	6.8
81.07038	79.8
81.15096	0.5
83.04981	0.6
83.08598	8.7
85.02910	0.7
85.06532	0.7
86.06886	0.5
91.05444	6.3
92.08665	0.8
92.09170	1.7
93.06485	0.8
93.07025	13.6
95.04962	1.3
95.08585	100.0
97.06508	0.8
97.10181	4.5
97.10722	0.6
105.03370	3.2
105.07021	10.0
107.08580	19.5
109.06485	0.9
109.10143	49.1
111.11704	0.9
117.06976	2.4
119.08562	20.4
121.10123	15.9
123.11684	36.3
129.06990	1.0
131.08546	5.6
133.10107	10.9
135.11670	12.7
137.09598	0.7
137.13235	42.2
143.08536	2.9
145.10110	10.2
147.11685	10.3
149.13231	6.5
151.14803	1.0
153.09077	2.6
157.10101	2.6
159.11662	7.1
161.13277	4.4
163.14761	3.4
165.09045	1.2
165.24805	0.6
169.10188	0.8
171.11641	4.9
173.13234	9.2
175.14803	6.4
177.09001	1.0
177.16367	5.4
179.17923	12.0
185.13155	1.0
187.14803	4.6
189.16354	8.9
191.17900	5.1
199.14799	4.5
201.16380	6.9
203.17908	5.7
205.19473	1.2
211.16843	0.6
212.15483	1.1
213.16350	18.7
215.17926	37.6
217.19577	1.0
219.13602	1.2
227.17834	1.1
231.17468	3.1
231.20888	0.6
241.19437	1.9
243.21010	4.0
245.15356	0.7
247.16882	0.7
255.20990	2.1
257.22534	0.7
259.16864	11.2
261.18448	22.0
269.22601	1.3
275.19916	0.8
276.85895	0.7
289.21542	2.1
301.21539	0.7
315.23004	2.4
393.35056	10.1
411.36191	3.7
439.35638	19.5
457.18274	2.0
457.36734	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	457.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.0
55.05501	12.6
57.03425	1.4
57.07063	6.5
57.26245	0.9
61.77603	0.9
65.03939	1.0
67.05485	24.8
69.07043	16.7
69.10516	1.0
71.04996	1.0
79.05468	15.2
81.07033	63.3
83.04973	2.7
83.08588	9.6
85.06494	1.6
86.84103	1.1
91.05451	12.5
92.08662	2.0
92.09253	3.3
92.69388	1.1
93.07017	24.4
95.04909	4.1
95.08580	100.0
95.94558	1.1
97.06478	1.3
97.10152	2.2
105.07011	22.5
107.08572	38.6
109.06507	1.4
109.09396	1.5
109.10139	37.9
111.08058	1.4
117.06997	7.1
119.08547	37.3
121.06505	1.3
121.10102	25.5
123.08052	1.5
123.11678	25.3
124.45173	1.3
125.69707	1.2
131.08542	16.5
133.10107	24.2
135.08054	1.6
135.11681	15.7
137.13234	30.3
137.14226	1.7
137.60332	1.0
143.08481	8.9
145.10092	29.9
147.11688	16.9
149.09575	2.4
149.13223	9.4
151.14723	1.5
153.09035	1.4
155.08470	1.4
157.10132	7.6
159.11647	17.7
161.13243	12.8
163.11122	1.6
163.14786	5.8
171.11664	4.7
171.77753	1.2
173.13208	15.1
175.14774	10.7
177.09070	1.8
177.12737	1.5
177.16353	7.4
179.14291	1.7
179.17900	5.3
185.13219	5.6
187.14769	20.4
189.16315	13.1
191.14270	4.4
191.17938	6.8
199.14743	6.2
201.16380	8.8
203.14314	1.4
203.17924	10.6
205.15854	4.9
213.16362	14.5
215.17877	12.0
219.17355	1.2
227.18011	1.6
229.19447	1.7
231.17412	5.4
234.55884	1.2
239.18149	1.2
241.19542	1.7
243.21063	4.7
247.16919	2.5
249.18446	2.2
255.21008	1.7
257.22507	1.4
259.16861	5.1
261.18442	4.7
275.19733	1.6
277.17944	7.2
393.31274	6.9
393.35477	3.5
411.36240	2.7
421.30148	1.6
421.35031	4.1
439.36362	9.4
451.92169	1.1
457.37213	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	457.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62087	1.1
53.03926	1.1
54.59760	1.0
55.05502	13.4
57.07056	4.2
67.05492	19.7
67.78111	1.1
69.03392	1.3
69.07056	23.2
79.05467	16.1
81.07039	43.7
83.08604	10.6
91.05450	11.6
92.08991	17.1
93.07024	47.6
95.04956	1.4
95.08585	100.0
95.84604	1.2
97.10133	5.6
105.07011	31.9
107.08578	74.5
109.06519	1.3
109.10136	48.8
111.08049	2.8
119.08562	49.1
119.89313	1.2
121.10127	58.1
123.08058	1.4
123.11668	19.2
125.09606	1.7
131.08565	5.9
133.10098	38.8
133.11035	2.1
135.08029	1.5
135.11670	42.9
137.13239	5.3
143.08679	1.2
145.10124	11.2
147.11681	31.6
149.09531	1.5
149.13243	28.1
153.09108	1.9
157.10112	3.0
159.11668	10.8
161.13211	21.8
163.14793	45.4
164.08565	1.2
167.10680	1.6
171.06628	1.2
171.11639	2.1
173.13235	8.3
175.14778	20.7
177.12746	1.6
177.16293	14.5
179.14368	2.7
187.14763	8.9
189.16347	39.3
189.17953	2.5
191.17903	38.6
199.14838	1.9
201.16374	7.8
203.17918	48.6
205.19505	6.9
207.17340	2.4
215.17918	2.0
217.19470	7.4
221.18947	2.3
229.19550	2.1
231.21103	8.6
233.18886	1.6
235.16913	2.7
249.18457	6.9
285.85303	1.3
290.10779	1.5
297.25708	5.6
336.27188	1.3
349.43228	1.3
390.09109	1.3
393.35104	10.2
411.36142	74.1
435.04306	1.7
438.87628	1.5
439.36230	15.3
441.71387	1.6
457.36926	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3671
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
53.03937	0.5
55.05501	4.7
57.03434	0.6
57.07065	0.9
62.06070	0.5
65.03922	0.5
67.05482	6.3
67.05742	0.4
69.03413	0.9
69.07050	6.6
71.04974	0.7
74.23406	0.4
79.05470	5.7
81.07038	16.1
82.07396	0.4
83.04974	5.1
83.08614	3.3
85.06532	0.5
86.76714	0.4
88.23586	0.4
91.05447	4.0
91.38906	0.4
92.09122	0.9
93.07021	15.7
93.07565	0.8
95.04957	1.9
95.08580	22.7
97.06541	2.5
97.10184	2.6
105.07015	13.9
107.08580	23.1
107.09293	0.8
109.06525	2.1
109.10137	15.7
109.10851	0.7
111.08089	1.1
117.07022	1.8
119.08553	19.1
121.06493	2.8
121.10113	16.7
121.10978	0.7
123.08065	1.8
123.11683	4.5
125.09605	3.4
129.07039	0.5
131.08533	4.0
133.10103	14.2
133.11028	0.8
135.08006	3.4
135.11662	13.8
137.09651	2.2
137.13264	1.9
139.07571	1.0
139.11217	0.8
141.47566	0.5
142.07750	0.4
143.08556	3.0
145.10089	6.7
147.08043	1.9
147.11652	9.2
149.09605	7.3
149.13225	4.7
151.11256	0.5
153.12759	0.4
155.08508	0.6
157.10110	3.9
159.08075	0.7
159.11641	5.5
161.09598	5.6
161.13219	5.0
163.11195	0.8
163.14792	4.2
169.10162	0.8
171.11687	3.3
173.09610	0.4
173.13266	5.5
175.11226	2.4
175.14763	9.4
177.16344	4.5
179.14273	0.5
183.11748	1.1
185.13190	3.2
187.11331	0.5
187.14813	4.4
189.12778	0.9
189.16354	10.0
189.17926	0.6
191.17978	2.7
197.13251	0.8
199.14854	1.9
201.12778	0.6
201.16420	2.3
203.14291	3.1
203.17885	4.6
207.17532	1.0
207.25713	0.5
213.16437	1.9
215.14381	0.5
215.17981	0.5
217.15903	1.0
217.19600	0.5
221.19031	1.1
225.16507	0.5
227.17967	0.6
235.16937	4.0
239.18039	0.6
243.17310	0.6
249.18510	0.5
257.19168	0.5
259.20511	0.5
285.22202	1.9
303.23038	1.5
411.32718	0.8
421.30585	0.8
434.90143	0.6
439.31665	2.6
439.35889	3.9
457.36859	100.0
458.37213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.367
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
53.03943	1.0
55.05505	13.0
57.03429	1.1
57.07054	5.2
61.95114	1.1
62.10980	1.2
67.05486	20.5
69.07051	21.0
71.05000	1.0
72.43166	1.1
79.05474	14.7
81.07033	43.3
83.08593	10.3
91.05441	11.1
92.09006	9.1
93.07018	45.4
95.04942	2.4
95.08577	100.0
97.10152	5.5
99.08076	1.4
105.07008	29.7
107.08567	79.3
109.06484	1.7
109.10133	50.7
109.10850	2.1
111.08081	2.3
119.08550	43.4
121.10107	59.3
123.11694	19.1
125.09578	2.2
131.08534	4.7
133.10092	40.1
135.11662	37.5
137.13210	2.1
143.08517	1.5
145.10118	10.4
147.11650	26.9
149.13226	29.3
153.09102	4.5
159.11679	10.3
160.39345	1.2
161.13188	23.7
163.14769	49.2
171.11667	1.6
173.13213	5.7
175.14784	17.6
177.12799	2.1
177.16324	12.4
179.14322	4.5
181.50221	1.3
187.14830	10.9
189.16338	38.4
191.17906	36.6
201.16356	7.2
203.17908	49.8
205.19553	7.7
207.17427	7.8
215.17905	2.0
217.19505	7.3
221.18980	2.2
229.19469	2.4
231.20985	10.6
233.19109	1.7
235.16901	1.8
247.16884	1.6
249.18430	6.5
297.25653	6.1
315.26721	2.1
380.53156	1.4
393.35196	11.1
411.36075	88.5
421.34433	1.5
439.35687	15.0
457.36197	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	457.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56639	1.9
54.97333	1.7
55.05499	14.3
57.07059	12.9
58.73586	1.8
62.34003	2.0
67.05494	23.8
69.07055	26.8
71.08604	3.0
79.05489	17.4
80.14687	1.9
81.07050	48.1
83.08610	15.3
85.06546	3.8
91.05460	17.0
92.08687	10.0
92.09317	8.1
93.07024	45.1
95.08578	78.8
97.06526	2.3
97.10150	3.8
105.07018	42.3
107.08573	86.8
109.06486	2.6
109.10138	50.1
111.08079	4.1
117.06996	9.6
119.08554	84.6
119.09389	3.6
121.10125	83.0
123.08028	5.0
123.11701	15.8
123.87153	2.4
131.08545	69.6
133.10109	48.8
135.08063	5.0
135.11667	30.3
137.06044	2.8
137.09575	3.6
137.13222	20.7
139.07484	3.4
143.08540	14.7
145.10103	72.7
147.11649	29.4
149.09621	3.6
149.13271	15.0
153.09125	18.1
157.10060	19.4
158.10890	2.7
159.11659	39.0
161.13217	16.5
163.11093	3.2
163.14751	29.0
167.10680	4.0
171.11691	13.7
172.12393	2.7
173.11848	2.9
173.13193	18.9
175.14792	13.7
177.16345	8.5
181.12213	3.0
185.13223	15.0
187.14780	100.0
189.16351	27.0
191.17957	5.4
197.13213	3.0
199.14760	10.1
201.12775	2.6
201.16368	52.8
203.14368	3.3
203.17911	11.7
205.15907	3.8
212.15164	2.4
213.16377	5.1
215.17976	9.9
219.17505	3.9
221.15239	2.9
223.16917	8.4
227.17917	4.6
229.19485	14.1
241.19487	9.8
247.16895	3.5
255.21033	12.6
269.22635	3.0
323.23694	2.6
351.30182	4.7
375.30353	5.1
393.31195	30.0
397.30939	3.5
411.32407	88.0
411.37375	3.9
421.30939	4.1
457.33063	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2403
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
53.03931	0.7
53.24704	0.2
55.05505	0.4
56.69610	0.3
57.03413	0.4
63.70859	0.2
67.05489	0.4
69.03416	2.6
71.79276	0.3
73.02882	0.3
79.05473	1.2
81.03389	2.4
81.07025	0.5
84.08151	0.3
85.02887	3.4
85.06522	0.3
93.07052	0.3
95.04949	1.5
95.08610	0.4
97.02870	1.7
99.04429	0.5
103.03925	0.3
105.03374	13.4
105.07052	0.3
106.03706	0.7
107.08564	0.5
109.02877	1.5
115.00595	0.3
119.08534	0.3
120.08051	0.4
123.04439	1.4
127.03889	1.1
138.70348	0.3
139.07434	0.3
191.56847	0.3
203.05315	1.9
241.57565	0.3
249.07578	1.7
267.08600	1.9
277.17700	5.0
295.18753	3.2
304.83920	0.3
322.60086	0.3
382.80750	0.3
457.24023	100.0
458.24341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90596	0.7
57.73413	0.6
84.08126	2.6
86.06039	0.7
95.71444	0.6
130.08592	3.5
161.99156	0.9
163.03857	0.8
185.98277	0.7
225.44339	0.8
229.03215	7.9
233.06270	100.0
247.04184	44.3
247.07846	8.2
324.97943	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.05512	0.5
57.03413	0.3
65.03937	0.3
67.05486	0.5
69.03406	2.1
69.07048	0.4
70.06577	0.6
71.04956	0.3
79.05477	1.5
81.03408	2.0
81.07041	1.1
83.04964	0.5
84.96066	0.3
85.02885	2.5
85.06512	0.4
85.10262	0.3
91.05477	1.1
93.07018	1.6
95.04939	1.6
95.08537	0.8
97.02867	1.7
97.06481	0.3
97.10134	0.3
99.04436	0.5
104.26009	0.3
105.03375	12.2
105.07007	1.1
106.03675	0.4
107.08559	1.1
109.02876	1.1
109.06524	0.5
109.10139	0.5
112.07571	0.3
119.04903	1.0
119.08591	1.1
121.10123	0.4
123.04389	1.4
125.09585	0.6
127.03858	1.1
131.04930	0.5
137.09599	0.5
147.04395	4.5
149.09677	0.4
156.06531	0.4
161.09579	0.3
177.05406	0.3
203.05246	3.5
213.12656	0.3
249.07642	1.1
267.08563	2.1
277.17657	5.0
279.19223	2.1
295.18643	1.9
339.17609	0.5
371.16379	0.3
439.23111	0.5
456.22830	0.3
457.24023	100.0
458.24182	0.4
470.18927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	36.0
57.07063	25.1
62.96666	5.1
65.69350	5.3
67.05494	91.0
69.07054	41.7
72.98210	4.5
75.80574	5.2
79.05470	25.3
80.45745	5.2
81.07041	100.0
83.08614	33.1
84.06051	5.0
91.05473	9.6
92.08725	8.1
92.09196	12.9
92.64262	6.6
93.07030	29.1
93.09709	5.6
95.08576	85.4
97.06493	5.8
97.10162	12.7
105.07008	7.9
107.08616	14.1
109.10144	34.4
119.08517	6.9
121.10149	11.3
123.11706	26.8
133.10095	7.7
135.11649	7.4
135.37793	5.7
147.11627	6.2
154.03850	6.3
161.13225	8.4
219.22070	6.6
245.22583	27.1
263.23679	46.1
321.45477	5.7
403.35626	10.1
415.64917	6.1
421.36517	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.9
55.21709	2.8
67.05495	2.8
69.03411	15.8
69.07059	4.6
71.04977	5.2
78.30624	3.4
79.05471	5.1
81.03387	5.2
81.07056	4.5
85.02876	18.1
85.06496	2.8
91.05455	7.1
92.08894	7.1
93.07018	6.0
95.04923	3.6
95.08592	6.7
97.02877	5.0
105.03372	44.2
105.06984	13.9
107.08582	17.2
109.02827	4.6
109.06486	6.5
109.10139	6.1
119.08578	12.7
121.10119	12.1
122.10449	3.3
123.04374	5.0
131.08542	3.9
133.10115	32.9
137.09592	27.8
138.38417	3.7
149.13187	5.3
161.13217	3.3
163.03894	6.0
177.05498	5.0
191.14259	14.1
306.24652	4.0
323.05209	18.0
456.41327	3.4
457.08957	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	456.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34187	2.1
53.03939	2.1
53.85119	2.2
55.05503	45.0
56.79320	2.4
57.07064	14.3
58.89119	2.4
60.03522	2.4
67.05486	53.1
69.07053	59.7
69.96393	3.0
71.08605	11.2
79.05470	17.9
81.07034	100.0
83.08599	49.0
85.06533	4.1
91.05453	11.3
92.08654	3.1
92.09153	10.9
93.07017	24.5
95.04950	4.1
95.08588	62.7
97.06487	5.5
97.10146	35.4
105.07007	12.6
107.08586	17.3
109.10149	32.9
109.30238	2.5
111.08072	2.6
111.11695	13.1
113.09628	2.4
119.08564	16.1
121.10139	22.4
123.11671	19.1
133.10081	12.5
135.11674	6.4
135.37727	2.7
137.09557	3.2
147.11644	5.9
149.13239	12.2
151.14871	2.7
161.13251	10.2
163.14821	10.7
175.14824	5.8
179.14215	2.8
181.15714	3.0
189.16330	3.8
245.22554	20.6
259.28159	2.6
263.23672	32.1
281.24475	6.0
403.35599	16.9
421.36386	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	456.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40402	1.8
53.58746	1.8
55.01865	15.4
55.05506	89.6
57.07053	3.7
65.03908	2.6
67.05143	3.1
67.05489	76.0
69.07059	37.6
75.60390	1.7
76.56389	2.1
79.05479	26.1
79.13218	2.1
80.81721	1.9
81.07039	100.0
83.04929	3.0
83.08120	3.7
83.08602	82.6
85.06519	4.2
91.05453	16.6
92.09007	19.5
93.07024	37.9
95.08588	71.4
97.06493	3.8
97.10114	3.8
105.07034	16.0
106.70524	1.8
107.08560	20.8
109.06515	3.0
109.10146	35.2
111.08052	23.5
119.08549	12.4
121.10117	21.9
123.04499	1.9
123.11678	12.5
129.09106	24.5
131.08557	9.7
133.10106	11.7
135.11679	13.5
136.89902	1.8
137.09566	3.4
137.13249	2.9
145.10101	9.8
147.11626	10.4
149.13242	2.8
159.11653	3.6
161.13225	12.2
165.09171	2.6
165.12755	2.2
173.11707	10.6
173.13135	2.6
208.02315	2.2
243.20970	10.4
261.22040	17.1
276.95206	2.3
279.23151	25.2
293.24799	2.4
297.24219	4.1
371.29337	11.5
385.76953	2.2
389.30359	19.7
447.11310	2.2
477.38867	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	456.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01854	3.1
55.05502	20.3
57.03417	6.5
57.07058	2.0
60.23031	1.3
61.02886	1.4
63.60307	1.2
65.03880	1.5
67.05148	2.0
67.05491	56.9
69.03416	15.6
69.07054	26.0
70.06554	2.3
71.04977	39.6
72.08172	1.3
79.05059	1.9
79.05478	33.8
81.03387	9.4
81.07037	80.1
83.04953	9.4
83.08592	9.0
85.02880	35.6
85.06524	10.5
87.04446	8.3
87.51228	1.5
91.05462	18.9
92.08913	1.5
93.07016	69.5
95.04933	3.3
95.08578	100.0
97.02870	15.6
97.06520	13.5
97.10146	3.6
99.04417	11.4
99.08032	9.0
99.94241	1.4
101.05994	1.9
105.03381	11.8
105.07000	17.0
107.04946	5.5
107.08572	54.3
109.02847	6.2
109.06483	5.7
109.09393	2.0
109.10136	51.3
111.04424	6.5
111.08041	2.5
113.05959	9.7
115.03878	3.6
115.05493	1.7
117.06976	8.3
119.08569	17.7
121.02839	2.6
121.06446	6.1
121.10124	79.6
123.04391	1.9
123.08018	9.3
123.11665	9.5
125.09606	2.1
127.03862	2.6
127.07560	1.4
127.11161	7.2
131.08530	28.4
133.10081	9.3
135.08043	16.1
135.11664	20.3
136.07571	2.5
137.09564	7.8
138.09132	2.9
139.07478	2.1
139.11212	2.4
141.09070	2.9
145.02837	2.5
145.04973	3.1
145.10110	22.7
145.12172	11.6
147.11668	7.4
149.09570	10.8
149.13237	2.1
151.11177	3.1
153.09128	5.1
159.11636	8.1
161.13228	9.9
163.11116	5.8
163.14787	27.6
164.07034	1.9
166.04849	1.8
167.07001	5.6
167.10626	6.0
168.07365	3.3
169.07420	1.8
173.05991	1.9
177.05476	5.3
177.16341	31.6
187.14780	57.7
189.78889	1.4
195.17413	11.3
205.15846	28.9
223.16898	78.1
241.17914	57.5
256.55884	1.6
259.18979	76.7
264.97586	1.6
270.31274	1.5
275.17334	1.5
277.20041	27.3
324.22797	1.5
385.15555	2.2
434.81339	1.5
456.22766	14.0
457.23773	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	456.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.7
53.03950	0.4
55.01866	0.7
55.05496	2.2
57.03427	12.1
57.07069	3.9
57.65363	0.4
59.04980	2.5
67.05487	0.9
69.03416	33.5
69.07053	0.9
70.06575	0.5
71.04976	22.0
73.02909	0.7
73.06535	3.4
75.04455	2.4
78.43236	0.4
81.03391	1.5
81.07025	0.6
83.08582	0.8
85.02891	23.3
87.04449	21.8
87.08070	2.0
92.08749	0.4
92.09279	0.5
92.18543	0.4
93.07000	0.4
97.02866	20.5
97.10151	0.6
99.04454	0.9
105.03395	0.5
109.10136	8.0
115.03909	18.0
127.03891	2.1
127.11169	35.1
133.04941	14.0
136.07576	0.7
145.04918	0.6
145.12215	100.0
150.07603	0.8
169.04968	0.5
217.37242	0.4
259.08017	0.8
272.94116	0.4
277.09167	0.5
295.10266	0.8
358.17786	0.4
376.70810	0.5
445.03204	0.5
456.23044	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.9
53.03931	0.9
55.01860	1.3
55.05486	1.0
57.03432	36.5
57.07066	12.7
59.04987	8.4
60.04512	3.2
61.02907	2.9
61.44365	0.8
67.05493	1.2
69.03418	100.0
69.07056	1.0
70.06560	1.1
71.04980	0.8
72.08148	0.8
73.02908	4.1
75.04465	6.3
79.05450	2.6
81.03409	6.3
81.06120	0.7
81.07009	2.6
85.02891	78.9
85.06527	0.9
87.04451	63.9
87.41614	0.7
90.61420	0.7
91.05432	0.7
93.06998	1.0
95.04953	4.1
95.08595	0.7
97.02872	72.5
97.06491	0.9
99.04441	4.4
99.11718	1.6
105.03376	22.4
106.03693	2.9
107.04877	1.3
107.08614	1.3
109.02859	4.2
111.04428	1.7
115.03911	65.4
121.10328	0.8
123.04428	3.3
127.03879	7.1
127.11150	1.7
133.04941	54.7
144.06572	1.5
145.04941	10.6
145.12233	6.5
147.04401	1.4
150.07645	5.3
151.05847	0.8
163.03906	1.2
163.05991	1.6
165.05513	0.8
173.09732	0.9
180.08684	1.0
196.33568	0.8
200.64560	0.8
241.07028	1.2
259.08121	3.4
267.08749	1.2
277.09271	1.2
289.16315	5.2
295.10324	1.1
312.90042	0.7
399.76105	0.8
405.14978	0.8
456.20987	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
53.54474	0.5
55.01855	2.5
55.05500	2.9
55.68358	0.5
57.03420	8.0
61.02914	6.3
64.60921	0.5
69.03413	49.5
71.04980	3.3
73.02900	3.4
81.03393	24.2
83.04962	11.0
85.02888	39.5
87.04456	3.7
91.03922	0.9
91.68121	0.6
92.08946	0.8
93.02053	0.5
95.01302	60.3
97.02863	15.5
99.04426	9.7
103.03915	2.4
109.02145	1.0
109.02863	18.1
111.04424	10.2
113.02344	100.0
123.20676	0.6
127.03882	18.6
129.05449	15.7
131.73216	0.6
145.04990	1.2
147.06509	7.2
159.32582	0.7
163.03848	1.4
165.07568	6.5
183.06960	0.9
183.08595	26.8
217.81088	0.6
221.04398	2.7
239.05467	14.0
240.03308	0.6
257.06494	20.2
330.14386	0.7
439.14728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74724	3.8
53.03933	3.9
55.05506	48.7
57.07063	9.5
58.43139	4.1
60.76981	4.0
67.05489	56.8
69.07051	98.3
79.05471	40.6
81.07047	98.4
83.08590	41.9
86.86639	5.0
91.05444	11.3
93.07034	56.6
95.04950	6.1
95.08588	100.0
97.06540	27.4
97.10151	31.2
105.07029	20.9
107.08588	20.5
109.10151	35.6
119.08595	23.7
121.10130	43.1
123.11683	10.9
133.10117	19.2
133.78380	6.3
135.11690	9.4
139.11174	29.5
147.11702	20.3
149.13272	9.1
161.13261	5.9
263.23679	11.5
281.24673	17.4
401.34216	6.2
414.07278	5.7
419.35159	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	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08673	1.3
53.03929	1.6
53.22753	1.5
55.05507	23.1
57.03421	3.0
57.07066	14.1
67.05493	29.1
69.07051	57.0
71.08611	2.1
79.05467	19.8
81.07035	71.2
83.04967	3.2
83.08595	18.6
91.05440	20.5
92.08894	4.0
93.07022	51.5
93.07573	3.3
95.04933	2.9
95.08579	100.0
95.09199	3.6
97.06524	2.5
97.10168	4.2
105.06354	3.3
105.07010	46.2
107.04960	2.3
107.08573	81.2
109.06502	3.3
109.10138	74.6
109.10856	3.6
111.08069	3.9
111.11712	2.4
117.06977	9.2
119.08552	55.4
121.06442	8.1
121.10120	75.8
123.08054	7.2
123.11681	38.1
129.06941	2.3
131.08537	20.2
132.69939	1.7
133.06461	2.4
133.10097	54.3
135.07974	2.5
135.11652	52.8
137.09558	3.4
137.13251	20.3
139.11186	2.2
143.08540	9.4
145.10080	35.7
147.08058	4.3
147.11661	32.7
149.05890	2.2
149.09634	3.0
149.13242	26.0
151.11139	3.3
151.14861	2.3
157.10118	15.0
159.07982	2.1
159.11642	27.7
161.09628	7.4
161.13226	19.9
163.11070	3.3
163.14760	13.0
165.12796	2.1
165.16319	3.1
169.10075	7.0
171.11609	16.3
173.09618	7.1
173.13217	20.6
175.11130	4.0
175.14752	19.9
177.16359	26.7
179.17883	2.8
183.11656	3.7
185.09656	2.1
185.13214	11.4
187.11133	3.0
187.14745	19.0
189.12737	2.7
189.16336	23.5
191.17940	11.4
199.14847	8.6
201.16272	20.2
203.17926	37.4
205.15820	17.3
211.14856	7.3
213.16330	19.1
214.01450	1.9
215.14436	2.4
215.17830	16.0
219.17439	3.2
225.16316	3.1
227.17839	3.0
229.19456	3.0
235.16750	2.5
239.17935	3.3
241.19502	11.1
243.20940	2.3
245.15323	1.9
247.16975	2.5
249.18404	3.7
255.21025	3.5
259.16794	7.2
261.18478	8.1
345.24109	3.3
379.33539	2.4
391.33508	8.6
409.34650	34.5
425.33859	12.3
437.34274	27.3
455.35553	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	31.4
55.20838	1.9
57.03436	3.4
57.07053	15.9
65.03930	2.7
67.05493	43.7
69.03399	2.8
69.06710	4.1
69.07056	74.7
70.07368	2.3
71.04978	3.5
71.08616	4.6
71.52999	2.1
79.05472	22.7
81.06606	3.5
81.07041	79.4
83.04956	4.6
83.08606	20.7
91.05450	24.2
92.08602	5.8
92.09250	17.7
93.07019	55.8
95.04958	3.5
95.08008	4.5
95.08589	100.0
97.06515	6.3
97.10127	8.9
98.97579	2.3
104.20914	2.6
105.07020	52.5
107.04938	4.1
107.08566	77.6
108.08882	4.2
109.06483	4.7
109.10140	77.4
111.08040	4.1
117.07004	11.4
119.08560	63.9
120.08855	4.4
121.06454	9.9
121.10115	68.2
122.10415	3.4
122.20293	2.9
123.08026	4.7
123.11674	30.7
125.09579	3.6
129.06999	5.9
130.70401	2.4
131.08542	27.8
133.06508	4.3
133.10103	52.5
133.60046	2.7
134.10410	3.4
135.08040	5.8
135.11679	40.3
137.09583	4.4
137.13210	15.1
139.11153	3.4
143.08513	12.1
145.10088	35.1
147.07953	4.2
147.11693	26.0
149.09618	6.2
149.13255	15.3
151.14877	2.8
157.10161	18.8
159.11673	27.9
161.09564	5.7
161.13235	11.1
163.11118	3.0
163.14862	5.0
167.10660	3.2
169.10078	12.0
170.10873	2.8
171.11697	18.9
172.12210	2.9
173.09627	11.7
173.13205	22.3
174.13586	3.7
175.11234	4.8
175.14801	17.2
176.15115	2.7
177.16348	14.6
183.11632	3.9
185.13254	13.4
187.11139	4.0
187.14804	18.7
188.15204	2.6
189.12706	4.3
189.16418	17.6
191.14319	3.3
191.17885	10.3
198.14139	2.8
199.11098	3.5
199.14795	5.8
201.16344	27.1
202.16682	3.3
203.17958	22.2
205.15807	10.2
211.14876	3.6
213.16396	12.9
215.17891	5.6
221.13406	3.4
225.16353	4.7
229.19728	3.4
231.17711	3.2
239.18025	3.9
241.19507	4.3
247.16867	4.0
259.16849	4.7
261.18423	4.4
275.20071	4.9
284.52701	2.7
303.23120	3.6
321.25696	3.9
331.22870	4.0
345.23950	4.7
349.25000	3.3
391.33490	3.7
409.06674	3.1
409.34152	14.0
419.33243	3.6
437.33908	19.2
455.16953	29.5
455.28543	4.9
455.34882	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	455.3516
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.05489	10.6
57.07077	2.2
62.67772	1.0
63.27207	0.9
63.58784	1.1
64.33688	1.2
67.05488	10.6
69.07054	13.7
79.05469	11.8
81.07039	20.3
83.08181	1.2
83.08621	7.3
91.05453	9.0
92.08833	1.6
93.07023	25.0
95.08578	47.0
97.10166	1.6
105.07003	21.1
107.08570	62.8
109.06528	1.1
109.10142	28.3
109.10863	1.7
111.08059	2.0
117.06994	1.4
119.08551	58.9
121.10115	54.1
123.11705	8.0
131.08548	7.1
133.10097	50.2
135.11655	19.0
137.09590	1.6
137.13202	1.4
143.08498	1.3
145.10120	27.0
147.11685	28.8
149.09602	2.7
149.13261	11.0
149.64220	1.1
153.09114	2.4
157.10057	1.9
159.11668	18.6
160.12558	1.4
161.13219	20.9
163.11148	24.4
163.14801	14.0
167.10696	2.1
168.30861	1.1
171.11676	1.5
172.12518	1.3
173.13266	6.4
174.14095	1.5
175.14780	21.7
177.16357	29.8
187.14780	35.4
189.16335	50.6
191.17960	6.5
199.14772	1.4
201.16354	7.7
203.15994	1.5
203.17928	47.8
205.15842	100.0
205.19518	5.4
207.17410	4.4
213.16365	5.1
215.17897	2.6
219.17241	1.4
229.19485	1.4
248.25780	1.1
249.18457	9.5
295.24200	4.8
313.25146	6.1
391.33368	2.5
409.34540	31.4
437.34167	18.5
455.35095	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	455.3517
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
51.17565	0.7
55.05265	1.0
55.05502	17.7
57.03415	1.2
57.07067	7.7
65.03920	0.9
67.05141	0.9
67.05484	17.7
69.07048	25.0
71.04967	1.1
71.08569	1.0
78.24135	0.7
79.05470	17.0
80.27206	0.7
81.07035	37.7
81.57851	0.7
83.08601	11.1
85.06505	1.5
91.05457	20.3
92.09002	1.8
93.07019	47.4
95.04960	1.3
95.08581	72.3
97.06501	1.3
97.10117	4.4
99.31646	0.8
105.06290	1.3
105.07008	52.3
107.08574	81.9
108.69398	0.8
109.06483	1.8
109.10138	35.7
111.08047	8.0
117.07015	5.9
119.08552	100.0
121.09250	1.6
121.10114	44.1
123.08066	1.9
123.11671	16.1
129.06969	3.4
131.08545	22.0
133.10098	75.0
134.19751	0.8
135.08005	1.7
135.11664	31.8
137.13223	4.3
139.07524	1.5
142.07668	1.2
143.08521	4.5
144.09326	1.5
145.10106	39.8
147.08018	0.9
147.11662	58.8
149.09598	1.4
149.13231	13.3
151.11148	5.0
153.09045	4.8
154.90140	0.8
157.10120	8.6
158.11011	1.0
159.11649	30.6
160.12427	1.3
161.13216	35.1
163.07530	1.0
163.14786	18.6
165.12729	3.8
171.11656	6.6
173.09663	1.2
173.13197	20.0
174.13992	3.2
175.14786	21.2
177.09062	5.4
177.16350	7.6
179.10654	1.0
179.14200	6.3
183.11615	1.7
183.36723	1.1
185.13255	6.1
186.13992	0.9
187.14789	19.2
189.16344	57.1
191.10609	1.2
191.17900	7.9
197.13260	1.0
199.14844	6.1
201.16333	47.1
203.17906	47.1
207.17360	11.2
211.14781	1.1
213.16301	5.9
215.17906	16.8
217.19467	5.5
219.17413	1.9
221.15404	1.0
221.18967	9.5
227.17862	3.8
229.15814	1.7
229.19418	16.6
231.20943	6.6
233.15364	1.4
235.16948	5.7
241.19421	4.4
243.21104	7.7
247.16870	27.2
249.18494	1.5
251.18111	0.8
255.21021	6.5
257.22525	1.2
261.18466	5.9
263.19919	1.3
269.22546	1.6
275.20004	4.8
287.19785	1.5
289.21558	3.3
301.21582	3.8
391.33664	9.1
395.29654	1.3
409.34631	17.5
437.34009	39.0
455.35239	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	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98835	1.5
55.05510	20.4
57.03415	1.8
57.07071	7.9
67.00552	1.5
67.05493	18.4
69.07056	21.6
71.04989	1.6
79.05482	19.3
79.99458	1.8
81.07047	40.2
83.08598	12.8
91.05453	22.6
92.09095	2.2
93.07020	35.7
95.08590	69.8
97.10155	3.4
105.07017	49.3
107.08580	76.7
109.10148	34.2
111.08073	7.9
113.36477	1.8
117.06996	3.5
119.08566	100.0
121.10122	45.0
123.08058	2.1
123.11706	16.1
129.06958	2.1
129.94102	1.8
131.08563	27.7
133.10109	79.7
135.11682	34.9
143.08571	4.2
145.10115	41.4
145.35530	2.0
147.11659	42.8
149.09648	2.5
149.13226	16.0
151.07634	2.1
151.11156	3.2
157.10149	7.2
158.11014	2.1
159.11671	35.1
160.12428	2.6
161.13220	34.0
163.14767	14.3
169.10240	2.2
170.87512	2.1
171.11693	10.1
173.13251	18.9
175.14789	16.8
177.09119	11.4
177.16331	4.2
179.14284	7.7
185.13254	7.3
187.14755	17.1
189.16365	41.4
191.17950	12.5
197.13211	2.3
199.14806	2.9
201.16350	33.1
203.17953	48.1
207.17439	12.8
209.68068	1.9
213.16388	7.9
215.17950	12.9
218.91531	1.8
219.13722	2.2
219.17332	2.8
221.18919	8.0
229.15875	2.5
229.19543	11.7
241.19489	4.6
243.21129	4.4
247.16882	25.4
255.21083	3.8
261.18460	2.2
269.22501	2.7
275.20306	2.2
289.21817	2.9
315.23508	2.1
319.50665	2.1
333.99414	2.0
391.33432	8.8
409.34656	10.8
437.34106	27.5
455.35187	11.0
480.16913	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30503	0.7
55.05267	0.6
55.05505	11.1
57.03417	0.8
57.07060	2.7
64.33271	0.7
67.05489	13.2
68.81034	0.7
69.07053	14.2
71.08611	0.9
76.56060	0.7
79.05477	15.4
81.06591	1.2
81.07038	25.9
83.04977	0.9
83.08606	10.1
85.06517	0.7
91.05450	8.9
92.08837	6.6
93.07019	25.7
95.04963	1.2
95.08584	60.0
97.10133	1.5
98.36383	0.6
99.08046	0.7
100.06945	0.9
105.07001	24.7
105.07658	1.3
107.08575	74.6
109.06511	1.4
109.10137	27.6
111.08040	4.8
111.11729	0.7
111.27721	0.7
117.06982	3.2
119.08556	44.1
121.06504	1.5
121.10115	49.7
123.08059	1.0
123.11698	8.3
125.09608	1.0
131.08557	8.4
133.10104	41.1
134.32060	0.8
135.08067	2.5
135.11673	23.3
137.09595	1.1
137.13258	1.2
142.07732	0.7
143.08536	2.8
145.10098	26.5
147.11664	24.6
147.12518	0.7
149.09599	3.2
149.13239	15.1
153.09068	2.7
157.10091	3.2
158.10947	0.9
159.11656	14.5
161.13242	14.6
163.11150	34.0
163.13614	0.8
163.14767	9.1
167.10597	1.7
169.10081	1.1
171.11690	2.9
172.12569	1.0
173.13225	8.4
174.14018	1.3
175.11334	0.8
175.14780	31.7
177.12907	1.0
177.16342	40.6
179.14398	0.9
185.13199	2.5
187.14786	19.0
189.16342	24.9
191.17902	5.6
193.12248	0.6
197.13261	1.0
199.14806	2.8
201.16315	10.4
203.14545	0.7
203.17920	35.5
205.15842	100.0
205.19492	5.2
207.17404	3.9
213.16368	1.4
215.17873	9.2
217.15804	1.3
217.19485	1.2
219.17459	3.0
221.18906	1.6
227.18045	0.9
228.19434	1.0
229.19479	3.3
231.21237	0.9
235.16766	1.1
239.17924	0.9
241.19383	0.9
247.16951	1.0
249.18382	7.4
261.18533	2.8
267.20923	0.9
285.25610	1.7
292.98944	0.8
295.24139	4.4
313.24973	7.2
339.26602	0.8
349.98831	0.8
391.33539	3.2
409.34586	38.9
437.34082	13.4
455.35934	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	455.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05301	1.1
55.05507	17.5
57.07048	6.1
57.25822	0.9
67.05492	25.0
69.07053	28.1
76.86897	1.2
79.05473	18.3
80.21298	1.0
81.07038	66.5
82.40589	1.1
83.08606	11.9
91.05453	15.5
92.09041	1.8
93.07025	53.2
95.04951	2.4
95.08584	100.0
97.10149	5.4
105.07008	38.6
107.04977	1.2
107.08575	78.6
109.06528	2.3
109.10140	46.9
111.08069	12.8
111.11759	1.4
117.06962	2.9
119.07712	2.0
119.08558	52.1
121.06461	1.5
121.09250	2.6
121.10117	67.2
123.08057	4.6
123.11681	29.2
125.09562	1.6
125.15247	1.2
129.06944	2.2
131.08522	13.9
133.10115	41.5
135.11671	41.5
137.09584	1.3
137.13234	18.8
139.11195	1.3
143.08574	8.9
145.10112	23.6
147.10591	1.9
147.11664	31.0
149.12143	2.1
149.13243	38.1
151.14781	2.0
153.09064	2.3
157.10110	8.5
159.11641	18.5
161.13225	22.7
163.11142	2.5
163.14796	11.6
165.12769	1.8
169.10089	1.9
171.11684	14.8
172.12375	1.4
173.13199	15.0
173.57388	1.3
175.14787	17.7
177.09000	1.5
177.16351	29.4
183.11548	1.8
185.13266	10.0
187.14760	15.7
189.16367	27.7
191.17915	6.7
195.17274	1.4
197.13196	2.3
199.14772	10.2
201.16309	16.8
203.17906	33.6
205.15768	10.4
205.19438	1.8
207.17470	2.4
213.16408	19.5
215.17911	19.8
217.12201	1.8
217.19342	1.3
219.17371	1.4
221.18979	2.8
225.16571	1.5
227.17853	1.9
229.19455	1.8
231.21191	1.6
235.16937	1.6
239.17899	1.7
241.19467	12.5
243.21127	3.0
247.16753	1.7
249.18465	2.7
259.16833	8.5
261.18527	2.2
265.08221	1.3
267.20944	2.0
269.22510	2.6
285.18427	1.9
287.20233	1.5
299.19913	1.9
313.21445	2.7
342.79483	1.3
391.33463	7.8
404.22058	1.5
409.34558	32.6
425.33981	7.7
437.29474	1.5
437.34171	29.2
455.35355	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81809	2.1
55.05317	1.2
55.05503	19.3
57.03411	1.4
57.07056	7.9
57.14898	1.4
61.59818	1.3
67.05494	14.8
69.07053	22.7
70.92358	1.5
71.08595	1.8
79.05466	16.9
81.07034	36.6
81.51544	1.6
83.08601	10.8
85.06512	1.7
91.05466	22.1
92.08999	5.6
93.07021	40.9
95.04950	3.4
95.08586	75.1
97.10108	3.8
105.07019	48.1
107.08577	84.0
109.10132	36.2
111.08073	10.2
117.07024	3.9
119.08554	100.0
121.10125	46.6
123.08014	2.7
123.11680	15.2
131.08522	18.1
133.10106	81.8
135.11658	37.6
137.13219	2.6
143.08516	2.9
145.10097	41.3
147.11668	67.9
149.09727	1.6
149.13232	17.3
151.07614	2.5
151.11147	1.8
153.09091	6.4
157.10115	7.8
159.11679	38.8
161.13225	36.7
163.07533	3.9
163.14803	19.2
167.10669	2.5
169.10118	2.9
171.11635	6.9
172.12357	1.7
173.13193	19.1
175.14767	17.7
177.09030	13.7
177.16364	8.8
179.14281	8.0
183.11670	2.0
185.13242	7.0
187.14809	19.7
189.16328	52.9
191.17908	10.7
199.14777	7.3
201.16350	46.7
203.17912	59.8
207.17439	17.1
213.16338	3.8
215.17932	18.5
217.19435	3.0
221.19002	11.2
227.17928	3.1
229.15921	3.1
229.19466	11.1
235.16905	6.9
241.19411	6.1
243.21118	12.5
247.16884	30.5
255.21042	3.4
257.22641	1.9
261.18350	3.3
269.22629	2.5
283.24210	2.4
295.24036	2.8
315.23279	1.8
390.48410	1.9
391.33472	7.0
396.21811	2.2
401.84271	1.7
409.34479	11.9
420.97482	1.8
437.34140	26.9
455.35165	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71398	1.4
53.00306	1.3
55.05505	25.6
57.03422	3.5
57.07065	9.3
67.05498	27.6
69.03423	2.3
69.07056	25.8
70.99780	1.6
74.93252	1.5
75.88532	1.6
79.05467	19.2
81.07039	44.0
81.07482	2.8
83.08607	17.6
85.06545	2.7
86.49097	1.8
91.05457	21.7
92.09087	1.7
93.06487	2.9
93.07030	50.7
95.04970	3.2
95.08586	85.8
97.06514	2.6
97.10149	5.6
105.07010	55.2
107.08580	92.8
109.06501	3.7
109.09402	1.9
109.10148	52.0
110.30432	1.6
111.08086	4.1
117.06998	8.7
119.08561	100.0
121.10117	54.6
123.08082	3.1
123.11687	23.4
125.09612	1.8
129.06963	1.9
131.08551	24.5
133.10109	93.6
134.10577	1.8
135.11673	45.7
137.09540	1.9
137.13248	2.6
139.11153	1.9
143.08528	3.5
145.10110	42.2
146.10829	1.9
147.11676	74.1
149.13251	17.9
151.07634	1.8
151.11176	2.9
153.09062	6.7
156.63905	1.5
157.10123	8.3
158.10902	3.0
159.11673	44.0
160.12373	1.9
161.13237	40.4
163.07486	3.7
163.14807	19.6
169.10104	2.0
171.11720	8.7
173.13205	28.0
175.14781	24.6
177.09126	9.3
177.16357	11.2
179.14265	8.6
179.68761	2.2
185.13271	3.4
187.11205	1.9
187.14751	21.3
189.16360	56.2
191.10753	1.9
191.17940	9.1
197.13235	2.6
199.14801	7.0
201.16336	49.7
203.17932	55.4
207.17442	16.9
211.14774	1.8
213.16360	3.5
215.17856	14.3
217.19539	2.3
219.17395	2.2
221.18974	8.0
227.17865	2.1
229.15962	2.5
229.19418	12.7
235.16893	7.6
241.19402	1.7
243.20992	6.3
247.16936	27.7
249.18427	2.7
255.21092	2.7
261.18414	3.5
272.27872	1.6
275.20132	2.1
353.24329	1.9
391.33420	10.0
409.34424	10.3
419.33435	2.3
437.34277	28.5
455.35226	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01826	4.5
55.05489	18.8
57.07054	3.6
58.15580	3.3
58.60690	3.1
59.83109	2.9
66.62442	3.3
67.05494	28.5
69.03413	4.5
69.07043	22.6
79.05486	26.0
81.07034	65.3
83.04952	7.2
83.08617	4.9
91.05459	27.4
93.07018	62.0
95.04941	7.7
95.08588	82.5
97.06510	7.4
99.04488	4.1
105.03391	35.6
105.07021	65.6
107.04891	3.8
107.08585	89.5
109.06509	15.5
109.10137	34.3
111.08034	7.8
115.05327	3.5
117.07004	15.7
119.08553	100.0
121.06490	7.8
121.10110	67.3
123.04433	6.2
123.11648	8.5
129.06931	8.6
131.08557	33.8
133.10107	66.2
135.08041	17.6
135.11668	42.7
137.09567	4.1
137.13208	4.3
143.08540	20.9
145.10115	54.1
147.07976	8.7
147.11650	45.2
149.09615	4.7
149.13223	8.3
154.54254	3.2
156.09291	4.4
157.10074	30.2
159.08015	7.9
159.11678	49.4
161.09586	16.1
161.13197	17.5
163.14799	22.9
169.10133	5.9
171.11630	18.6
173.09563	5.6
173.13194	32.2
175.11176	8.4
175.14723	28.8
176.92912	3.8
177.12704	19.6
177.16377	21.0
181.10176	3.4
183.11676	8.7
185.13228	19.0
187.11139	6.4
187.14760	45.5
189.12683	19.6
189.16365	52.4
191.14348	3.9
191.17906	18.7
195.11597	4.1
197.13226	5.3
199.14859	3.8
201.12769	15.7
201.16396	21.3
203.14247	8.8
203.17943	14.6
211.14856	3.9
213.16252	5.0
215.14214	4.3
215.17931	3.5
217.15948	5.2
225.16415	5.4
227.17853	5.2
243.17400	4.3
248.74304	3.6
267.08661	5.5
274.00827	4.1
373.28787	5.0
391.29904	38.0
409.30856	52.4
419.29251	4.5
437.30356	4.7
455.31165	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1519
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
53.03938	0.7
55.01852	0.6
55.05487	1.2
57.03418	3.0
61.02918	0.8
62.06047	0.7
64.33566	0.7
66.24270	0.5
67.05486	3.2
69.03413	4.7
69.07054	0.9
70.06567	2.4
71.04971	5.2
72.08142	0.7
73.02899	0.6
75.79488	0.6
79.05466	3.8
79.69081	0.6
81.03392	1.0
81.07033	3.8
83.04951	1.4
85.02888	6.7
85.06520	2.8
86.79880	0.6
87.04449	1.0
91.05450	3.3
92.05800	0.7
92.89896	0.5
93.07012	3.5
95.04931	3.4
95.08572	4.4
97.02871	3.0
97.06503	2.6
99.04445	0.8
103.03905	0.8
105.03374	6.5
105.07007	1.3
107.04934	2.4
107.08578	3.4
109.02871	0.7
109.06480	4.3
109.10145	3.1
111.08033	0.6
111.28839	0.6
113.09612	0.6
115.03850	0.7
117.07025	0.5
119.08548	4.6
119.64657	0.6
121.06472	1.1
121.10085	0.9
123.04396	0.6
123.07983	1.0
125.09623	3.2
127.03872	0.8
133.10081	1.0
135.08003	0.9
136.07513	1.2
137.09624	4.3
138.09923	1.1
139.07527	0.8
143.10643	1.1
147.11664	1.1
157.10046	0.7
161.13145	0.7
167.07007	0.7
181.04875	1.0
189.03676	5.0
197.86008	0.6
221.11642	1.4
221.15236	1.2
239.12732	3.3
239.16318	0.8
240.12997	1.0
253.99373	0.8
257.13788	3.3
257.17233	1.3
258.14291	0.8
285.76837	0.8
307.07843	1.0
318.07321	0.7
355.93427	0.6
409.11267	1.1
455.15552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.2
53.03936	3.8
54.82235	0.2
55.01863	0.5
55.05500	0.4
57.03416	1.0
61.93424	0.2
67.05495	0.9
69.03065	0.3
69.03413	6.9
69.07046	1.0
71.04964	1.0
73.02903	0.3
76.26915	0.2
77.03871	0.4
79.05473	4.7
81.03395	16.5
81.07042	1.3
83.04946	0.3
85.02885	7.4
85.86131	0.2
91.05474	0.5
92.08981	0.3
93.07005	2.6
95.04943	5.3
95.08582	1.4
97.02861	8.3
97.06455	0.4
99.04415	2.3
104.90932	0.2
105.03369	100.0
105.07014	1.1
107.08565	3.3
108.08943	0.2
109.02857	10.2
109.06496	0.3
109.10162	0.8
117.07032	0.2
119.08543	1.5
121.10079	0.3
123.04398	8.9
123.11568	0.3
127.03893	5.4
128.06161	0.2
129.06966	0.2
131.08542	0.3
133.10149	1.0
134.33209	0.2
135.11646	1.8
143.08530	0.3
145.04933	1.1
145.10139	0.8
153.12686	0.3
157.10109	0.4
159.11716	0.4
161.13234	0.3
168.36432	0.2
169.10069	0.4
198.79526	0.2
243.13782	0.3
249.07510	23.6
267.08563	17.5
401.19388	1.5
443.33783	0.2
453.33762	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2922
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.88552	0.7
54.61430	0.7
55.05496	6.0
57.03417	5.4
57.06779	1.2
57.07065	34.6
58.65176	0.8
62.06076	21.3
64.98138	0.8
67.05480	7.5
69.07064	7.7
71.08607	20.3
77.58347	0.7
79.05468	2.0
81.07035	16.8
82.07327	0.8
83.08589	5.7
85.10163	11.7
86.41555	0.9
89.05991	0.9
91.05476	1.2
92.08778	6.3
92.09396	1.7
93.07029	6.8
94.88306	0.8
95.08578	20.7
96.08890	1.9
97.10138	3.6
98.98437	9.5
104.27743	0.8
105.06986	6.2
106.07362	0.9
107.08572	7.8
109.10147	11.9
113.37093	1.1
119.08542	9.5
120.08913	1.2
121.10118	4.3
123.11672	3.5
124.01546	1.1
131.08505	1.8
133.10103	5.7
135.11647	1.2
143.08597	1.2
145.10078	9.8
146.10431	3.9
147.11652	1.3
154.53683	0.8
155.01030	3.6
157.10083	1.7
159.11679	1.5
160.11993	1.1
161.13200	1.6
171.11649	2.0
173.13242	2.0
173.55653	0.9
174.13577	1.0
175.14810	3.4
183.11673	1.3
187.14745	1.4
189.16415	1.6
198.13602	1.0
199.14841	1.2
201.16367	1.6
213.16325	1.8
216.06493	1.0
219.17613	1.0
228.18312	1.0
237.16312	1.0
239.17882	1.1
239.23535	1.2
240.18307	1.2
241.19550	1.0
242.19688	2.0
282.27814	13.5
313.27289	100.0
380.02994	1.0
393.23633	7.3
408.33444	3.2
435.32471	1.8
436.28033	5.3
436.33197	2.0
453.33246	1.4
454.28601	1.5
454.33698	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	454.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	0.4
53.03934	4.6
55.05507	3.6
56.97151	0.5
57.03419	1.0
57.07086	0.5
67.05484	3.3
68.78873	0.4
69.03419	7.4
69.07051	2.6
71.04984	1.2
76.59528	0.5
79.05476	12.0
81.03402	13.3
81.07037	4.8
83.04983	0.8
83.08614	0.8
85.02899	10.6
87.02358	0.5
87.04403	0.6
89.57766	0.6
91.05464	8.5
92.09133	1.9
93.07027	31.2
95.04951	7.6
95.08580	5.5
96.24398	0.5
97.02870	7.7
97.06507	9.2
99.04432	2.9
105.03378	100.0
105.06998	3.5
107.04887	0.6
107.08581	32.8
109.02869	8.1
109.06503	1.0
109.10139	3.6
119.05951	0.6
119.08533	0.9
123.04419	11.4
127.03897	6.3
133.10103	0.7
135.11664	14.8
137.13242	0.6
145.04889	0.7
165.12718	0.5
171.11630	0.7
249.07524	12.3
267.08591	12.4
294.94537	0.5
301.62994	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28267	0.7
52.36192	0.6
53.03928	3.0
53.72409	0.7
55.01862	0.9
55.05499	1.3
57.03408	1.4
67.05489	3.2
69.03400	4.5
69.07052	1.8
71.04997	1.5
76.56298	0.7
76.57049	0.8
78.04661	1.5
78.80629	0.6
79.05471	13.3
81.03400	8.8
81.07024	4.8
83.04974	0.9
85.02880	4.5
91.05479	7.2
92.08944	3.9
93.07052	3.5
95.04940	10.1
95.08591	3.9
97.02837	5.4
99.04443	1.1
99.08078	1.4
100.11217	1.9
103.05470	1.7
105.03352	1.4
105.07014	6.4
106.04125	1.1
107.04939	29.5
107.08566	1.8
109.02847	3.8
109.06514	1.2
109.10155	3.2
111.04487	0.8
115.05409	8.3
116.06195	1.9
117.07008	10.2
118.04140	0.8
119.08559	1.5
121.02840	59.0
121.06452	1.5
121.10138	1.0
123.04399	6.7
124.05138	6.7
125.05959	1.5
127.03870	1.7
128.06245	1.7
129.06970	9.0
131.04915	1.3
131.08540	11.9
133.06468	4.4
134.03532	0.8
135.08084	0.8
137.05952	1.9
139.03876	8.2
141.06956	6.4
143.04933	1.1
144.05664	14.2
145.02846	0.9
145.06474	22.4
149.05937	1.0
152.04591	5.4
152.07042	1.2
155.04893	2.8
155.05983	1.7
155.07036	1.0
156.05681	16.0
157.06477	3.4
158.07288	1.4
159.08008	19.1
161.05963	8.1
167.06999	100.0
169.06459	1.3
172.05215	1.9
173.05951	20.6
174.06766	1.0
177.05435	3.4
179.07117	1.2
181.04872	1.0
183.04388	1.2
184.05095	4.1
186.06723	1.8
187.07489	19.9
190.06215	13.6
191.06944	2.7
193.08640	0.9
202.06250	8.0
202.07852	1.1
203.06987	1.5
203.08713	1.0
204.07799	1.2
205.08574	18.9
208.05112	1.3
208.08751	1.2
215.06993	3.9
217.08556	40.0
218.07156	1.3
219.07983	6.8
219.10126	10.5
220.08891	2.0
221.09647	1.1
225.09088	0.9
231.08002	2.9
233.09570	1.5
235.07578	1.3
235.09621	5.0
236.08224	1.3
237.09009	0.9
246.06676	1.2
247.07460	6.8
247.09639	13.3
248.08298	4.1
249.05386	1.1
251.10733	1.1
257.17538	1.2
259.07623	1.3
261.09033	1.9
262.09845	1.1
263.06934	1.4
263.10605	5.1
264.07791	4.3
265.07120	3.8
265.10690	4.3
269.07916	1.7
271.09460	1.0
275.06915	1.2
276.07797	3.0
277.08493	1.8
279.10159	6.4
281.07965	3.0
282.08914	1.8
283.08173	5.5
291.10001	5.6
293.08026	4.0
307.09528	4.9
311.12665	1.0
315.08557	5.0
319.09720	1.4
321.07520	1.3
323.12592	1.8
330.10904	8.3
331.11618	1.2
336.09845	0.8
337.10522	1.8
339.12201	1.8
343.11700	1.1
351.12186	5.3
353.10077	2.9
356.12521	1.1
368.12518	4.4
371.14819	9.7
383.14813	34.6
401.15869	16.1
453.34171	1.8
454.34512	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
53.15722	0.5
53.39642	0.5
55.01863	1.1
55.05501	1.5
57.03430	0.8
67.04127	0.7
67.05503	1.4
69.03410	1.5
69.07034	0.6
70.06571	1.5
71.04965	1.0
78.04698	2.4
79.05478	15.0
79.50968	0.5
81.07027	5.8
83.04965	3.2
85.02882	2.8
85.06538	2.7
87.04422	0.7
91.05466	7.5
92.09074	3.7
93.07009	3.1
95.04943	6.8
95.08572	3.0
97.02870	1.3
97.06489	1.4
99.04402	0.7
103.05442	3.2
105.03384	2.2
105.07024	7.8
106.04144	0.9
107.04938	31.9
107.08580	3.7
109.06503	1.4
109.10182	0.9
111.08028	0.7
112.07568	0.8
115.05432	7.1
116.06222	2.9
117.06982	9.5
117.07777	0.8
119.08558	1.1
121.06422	0.8
121.10118	2.3
122.03625	0.8
123.04398	6.8
123.11684	0.9
124.05197	5.9
125.05967	3.3
125.09618	3.0
128.06206	2.3
129.06972	8.8
131.04947	3.2
131.08536	11.7
133.06442	4.6
133.10117	3.2
134.10435	1.0
137.05937	0.9
140.04646	1.0
141.06985	8.1
143.04910	1.0
143.10674	1.1
144.05681	17.2
145.06473	19.2
145.10121	0.9
147.04286	0.8
147.08078	0.8
147.11646	0.9
151.03903	1.2
152.04681	4.3
153.05464	2.9
155.04878	3.5
155.05998	3.3
155.07040	2.2
156.05672	24.1
157.06497	3.8
158.07230	1.5
159.08023	21.4
161.05937	8.1
165.05510	0.7
167.07001	100.0
169.06432	2.6
169.07626	2.2
172.05199	3.3
173.05946	23.3
174.06747	1.1
175.07553	2.9
176.04720	0.7
177.05461	1.0
181.04935	0.8
181.08601	1.1
183.04411	1.1
183.06485	1.0
184.05196	4.3
184.07353	0.7
185.05957	0.9
186.06725	1.5
187.07518	21.2
189.05440	0.7
190.06221	14.4
191.07007	3.5
191.08632	1.1
193.08592	2.5
202.06210	8.7
202.07835	1.1
203.06992	2.9
203.08661	1.1
204.07863	1.1
205.06616	1.1
205.08536	20.1
207.06424	0.8
207.08200	0.8
208.05141	0.8
208.08731	1.1
215.07014	3.4
217.08563	62.9
218.07077	0.7
219.08037	8.0
219.10149	11.1
220.08809	2.5
221.09647	0.9
229.08600	2.8
231.08046	3.3
233.09544	2.8
235.07507	1.0
235.09644	3.5
236.08234	3.5
245.09608	0.9
246.06659	1.6
247.07452	7.4
247.09654	13.3
248.08279	7.1
249.05424	0.8
249.09081	1.5
251.10599	4.0
259.07416	0.9
260.08423	0.8
261.09091	2.4
262.06195	0.9
262.09784	3.0
263.07040	1.4
263.10504	1.5
264.07788	5.4
265.08273	1.3
265.10721	5.0
269.07993	1.5
275.07037	2.5
276.07849	3.0
277.08490	2.9
278.09167	0.7
279.10220	4.4
281.07892	1.0
282.08694	1.1
290.09308	2.5
291.07135	1.1
291.10043	6.6
292.07355	1.4
293.08008	4.0
296.10297	1.2
299.09122	1.3
305.08084	0.8
307.09555	6.3
308.10410	4.2
309.07681	0.9
310.08231	1.1
311.12775	2.3
315.08618	6.3
319.09567	2.8
321.07431	1.1
322.11923	1.0
323.12589	1.4
325.10486	0.9
330.10925	7.0
331.11755	1.0
336.09958	2.6
337.10580	3.4
339.12286	3.6
343.11618	1.1
350.11646	0.9
351.12076	5.4
353.10153	3.8
356.12518	1.2
368.12573	6.6
371.14795	10.1
383.14795	47.6
401.15875	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	454.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
54.44020	0.9
55.01859	2.7
55.05500	4.4
57.03424	1.4
64.32784	1.2
65.03922	1.5
66.43958	0.9
67.05483	6.2
69.03404	6.5
69.07054	2.1
71.04975	2.5
73.02894	1.4
75.46816	1.0
78.04711	2.2
79.05462	14.1
81.03396	17.3
81.07045	9.9
83.05000	3.8
83.50200	1.0
85.02889	10.2
85.06528	2.4
91.05473	12.8
92.08794	2.0
92.09298	1.4
93.07019	7.4
95.04963	10.5
95.08592	6.6
96.51315	1.0
97.02839	4.2
98.97530	1.2
99.04441	1.9
101.05983	1.1
103.05453	2.4
105.03364	7.1
105.07010	10.3
107.04938	19.8
107.08575	7.5
109.02872	1.6
109.06477	2.0
109.10151	4.4
110.10427	1.1
111.04428	2.0
113.09648	1.5
115.05432	9.9
116.06180	2.2
117.06969	10.4
118.61092	1.2
119.04970	1.1
119.08569	5.0
121.06485	1.9
121.10155	2.4
123.04412	9.8
123.08008	2.5
123.11705	1.5
124.05170	5.1
125.09612	2.2
127.03912	2.2
128.06181	2.1
129.06987	6.9
131.04921	4.5
131.08533	11.0
133.06511	5.9
133.10127	2.7
135.11642	1.1
137.05968	2.6
137.09604	1.6
140.04695	2.6
141.04973	1.4
141.06970	5.5
143.04938	1.7
144.05688	11.4
145.06464	24.2
147.04448	1.1
147.08014	1.7
149.05882	2.0
152.04721	5.7
153.09131	1.2
155.05940	1.9
155.07007	5.5
156.05673	16.0
157.06506	2.6
157.86588	1.2
159.08022	16.9
161.05960	7.6
165.05463	1.3
166.06273	1.2
167.07001	100.0
168.07379	1.4
169.06454	1.6
169.84619	1.2
172.05141	2.3
173.05928	27.6
174.06651	1.7
175.07564	4.6
177.05415	1.9
179.07004	4.8
181.04933	10.7
182.05240	2.3
182.07263	1.2
183.06476	2.0
184.05180	2.4
186.06660	2.2
187.07501	13.4
188.09195	1.5
189.42963	1.2
190.06194	22.8
191.06960	4.6
193.08521	2.2
197.06108	1.4
202.06224	5.7
203.06989	1.9
204.07924	1.3
205.08551	25.5
205.10303	1.7
207.06422	4.4
207.08189	1.7
207.10048	1.3
208.05081	2.8
210.06682	1.3
217.08554	34.3
218.07268	2.0
219.08044	8.4
219.10193	4.9
219.22519	1.2
220.41959	1.1
221.05943	1.4
221.09694	1.3
229.08603	5.8
231.08026	2.2
233.09532	2.7
234.06671	1.5
235.07542	1.8
235.09602	5.8
236.08292	1.7
238.18663	2.0
241.08607	1.6
246.06728	1.6
247.07442	9.6
247.09645	10.6
248.08226	6.9
249.05388	1.6
251.10464	1.4
254.05676	1.6
257.17444	1.8
259.07339	1.7
261.09128	2.5
262.09854	1.8
263.07236	1.5
263.10648	5.6
264.07825	8.6
265.08264	1.9
265.10672	6.6
267.06522	1.7
269.08109	6.5
271.09506	1.4
272.06772	1.6
275.07062	2.7
275.18503	1.5
276.07693	4.5
277.08508	5.6
279.10150	6.3
280.11032	1.7
281.08197	1.2
282.08801	5.5
290.09210	2.0
291.10132	7.4
292.07187	1.3
293.08038	5.5
299.08990	2.1
305.07956	1.3
307.09531	6.6
308.10419	4.5
310.08148	2.2
311.12704	1.7
315.08609	23.1
319.09586	4.8
321.07571	1.4
322.08459	1.4
322.11914	2.5
323.12756	4.8
330.10907	22.7
331.11691	4.7
334.13190	1.1
336.09842	1.1
337.10690	5.4
339.12308	2.2
343.11713	2.8
350.11380	1.4
351.12210	9.9
353.09970	4.9
356.12561	1.3
368.12418	8.9
369.13126	1.4
371.14731	4.3
378.04385	1.1
383.14801	49.4
401.15915	18.5
454.13641	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.00302	0.2
53.03715	0.2
53.03939	4.0
55.01861	0.4
55.05499	0.9
57.03423	1.3
61.02913	0.3
62.43186	0.1
67.05479	0.4
69.03413	7.7
69.07043	0.8
70.06554	0.2
71.04970	1.5
73.02893	0.9
77.03886	0.3
79.05477	4.8
79.99111	0.2
81.03400	19.7
81.07036	1.4
82.07372	0.2
83.04953	0.4
83.08589	0.2
84.08091	0.2
85.02886	6.2
85.06535	0.8
86.06049	0.3
87.04440	0.2
91.05453	0.8
92.08991	1.1
93.07030	1.1
95.04950	6.1
95.08579	1.4
95.31702	0.2
97.02871	11.6
97.06493	0.2
99.04440	2.3
105.03373	100.0
105.07005	0.8
106.04159	0.8
107.08581	0.9
109.02858	10.5
109.10130	1.0
111.04414	0.2
115.03887	0.2
119.08539	0.3
121.06460	1.0
121.10119	0.7
123.04406	7.1
125.06001	0.2
127.03899	5.7
127.07523	0.2
130.89635	0.2
131.08513	0.2
133.10083	0.3
134.03714	0.2
140.93440	0.2
145.04939	1.7
147.11659	0.4
149.05980	1.4
151.11252	0.2
151.14711	0.2
153.09039	0.3
163.32518	0.2
177.05481	0.7
181.08539	0.4
186.86415	0.2
209.08115	1.5
222.96071	0.2
238.18727	0.2
239.20030	0.2
249.07524	20.1
267.08572	7.4
454.20932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.2
53.00301	0.1
53.03935	3.9
54.22681	0.1
55.01859	0.3
55.05500	0.8
57.03427	0.9
61.02917	0.2
64.33965	0.1
65.03926	0.9
67.05490	2.9
68.37885	0.1
69.03065	0.3
69.03416	5.3
69.07048	0.9
70.06589	0.3
70.99546	0.1
71.04977	2.1
71.14845	0.1
72.05310	0.2
73.02901	0.3
75.81941	0.1
77.03915	0.7
77.89913	0.1
78.98453	0.1
79.05475	4.1
80.04994	0.2
81.03398	10.3
81.07040	2.9
82.07372	0.4
83.04961	0.8
83.08585	0.2
85.01119	0.8
85.02882	4.9
85.06528	0.6
86.06043	0.3
91.05441	0.8
91.72569	0.1
92.05806	0.2
93.07025	1.3
94.07338	0.2
95.04943	7.7
95.08575	1.3
97.01052	0.2
97.02860	4.6
97.06521	0.6
97.10122	0.3
98.06036	0.3
99.02676	0.2
99.04438	1.4
99.08032	0.5
103.02120	0.2
105.03371	81.1
105.04520	2.6
105.06965	1.4
106.03680	0.2
106.07344	0.8
107.04913	0.6
107.08564	1.5
107.09852	0.1
108.08883	0.2
109.02860	3.8
109.06495	0.8
109.10152	1.3
109.10815	0.2
111.08083	0.2
112.02215	1.1
113.02928	0.2
115.05417	0.2
116.06977	0.2
117.03335	0.4
119.08582	0.8
120.08869	0.1
121.10107	0.7
122.10480	0.3
123.04410	4.5
123.08044	0.1
123.11677	0.4
125.05962	0.2
125.09602	0.3
126.03680	1.1
126.05485	0.3
127.03894	3.1
127.07504	0.2
127.11156	0.3
129.07005	0.2
131.08557	0.3
133.06485	0.2
133.10100	1.3
134.10439	1.2
135.07996	0.2
135.11664	0.2
137.05966	0.2
137.09567	0.2
139.11169	0.2
140.01640	1.4
144.04755	1.1
145.02831	1.6
145.04971	0.7
145.10056	0.3
146.10469	0.2
147.11601	0.5
149.05975	0.3
151.11183	0.6
152.04582	0.2
152.11479	0.2
156.10936	0.2
158.02693	0.7
159.07925	0.2
159.11632	0.2
167.06989	3.8
170.02660	6.2
177.05412	2.6
188.03729	100.0
189.03897	0.3
189.05482	0.6
219.10043	0.2
220.17807	0.6
230.04697	0.2
235.09514	0.2
237.18404	0.6
238.18765	1.0
239.19122	0.2
247.09531	0.6
249.07516	5.5
265.10641	0.4
267.08609	1.6
383.14798	0.2
454.11279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16286	2.5
54.63018	2.6
54.70258	2.6
54.81408	3.8
55.05506	3.8
59.87856	2.6
67.05509	4.2
67.51933	2.5
69.07047	7.9
76.56487	3.0
80.98142	3.2
81.07029	7.7
83.08580	3.4
89.06024	4.5
93.07016	4.4
95.08607	6.7
97.10165	3.7
98.11134	3.9
107.08569	4.6
109.10168	13.6
119.08558	3.7
133.10094	4.3
143.08542	3.7
147.11646	4.8
202.27748	3.4
225.70244	3.4
258.46381	3.8
260.56693	3.5
322.57764	3.2
453.35474	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3358
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05501	11.8
57.07059	9.3
67.05493	39.3
69.07063	41.4
72.16885	4.7
72.51430	4.9
79.05492	12.8
81.07032	40.0
83.08595	11.0
83.11254	5.1
88.42033	5.3
89.06003	6.6
91.05450	13.9
93.07037	31.5
93.75417	5.6
95.08578	58.0
105.07030	32.4
107.08573	59.9
109.10135	43.7
111.08073	7.2
119.08561	37.8
121.10120	62.3
131.08585	6.3
133.10104	44.6
135.11678	14.2
145.10112	30.2
147.11700	13.1
149.13216	12.1
159.11667	11.6
161.13226	8.6
163.11095	6.3
169.10085	7.5
171.11702	6.6
173.13219	11.3
175.14833	10.3
183.11668	8.9
187.14868	14.3
189.16325	11.9
201.16365	11.9
313.25290	7.4
343.22354	5.9
435.32434	22.8
453.33774	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3357
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.81087	0.8
52.23345	0.8
53.03939	1.4
53.41394	0.9
55.05502	20.4
57.03436	1.0
57.07056	4.1
62.87494	0.9
65.03944	1.4
66.02206	1.0
67.05482	18.8
69.03416	1.1
69.07044	15.9
79.05470	17.6
81.07035	40.6
83.04961	100.0
83.08608	7.6
83.13868	0.9
91.05455	15.9
92.08964	4.9
93.07020	42.7
95.04931	12.3
95.08579	62.2
97.06486	1.4
97.10136	4.1
103.40401	1.0
105.06371	1.8
105.07003	55.9
107.08575	65.3
109.06510	4.9
109.10128	29.2
111.08070	5.7
112.28844	0.9
116.05029	1.0
117.06979	7.3
119.08548	72.3
121.10116	40.9
123.08042	7.8
123.10764	1.4
123.11648	15.3
125.09591	4.4
129.06984	2.3
130.07739	1.1
131.08530	24.5
133.10097	43.4
135.08034	1.9
135.11661	20.9
137.09625	1.7
142.07819	1.4
143.08507	8.9
144.09349	4.0
144.78136	1.0
145.10097	42.3
147.11652	33.2
149.09593	1.7
149.13234	12.3
151.11095	1.5
157.10089	9.3
158.10886	1.4
159.11655	38.0
161.13220	38.7
163.11156	1.1
163.14796	11.1
169.10036	1.2
171.11613	7.0
173.13216	19.9
175.14775	20.7
177.16312	10.8
181.96663	1.0
183.11693	1.2
185.13226	3.7
187.14748	21.4
189.16342	40.1
191.14381	1.1
191.17957	6.2
193.15887	1.4
199.14801	8.8
201.16338	42.4
203.17921	17.7
205.15836	6.4
207.17397	1.5
211.14816	1.5
213.16298	13.0
215.17891	20.6
217.15895	7.3
219.17380	6.4
224.15230	1.1
225.16353	1.4
227.17891	4.5
229.19456	2.0
231.17332	2.0
233.19002	1.4
235.16972	4.2
239.17940	1.5
241.19492	4.0
243.21054	1.2
245.15123	1.2
245.18921	1.0
247.16896	5.2
249.18536	2.1
255.21045	2.1
259.16986	1.5
261.18506	6.4
269.22543	1.1
325.28680	1.5
349.29065	3.7
357.27753	2.2
371.29620	1.5
389.31924	3.8
395.29340	6.0
407.32895	17.5
409.34357	1.0
435.32449	10.1
453.27679	1.7
453.33560	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3359
Annotation	Stellettin J
Peak:m/z	Relative Intensity
54.81785	1.5
55.01844	1.6
55.05501	24.5
57.03434	1.8
57.07064	10.1
61.63437	1.6
67.05492	35.6
69.07055	36.6
73.14142	1.3
74.99616	1.5
77.53632	1.7
79.05472	23.8
81.07034	66.2
82.07352	2.8
83.04948	2.0
83.08611	11.3
83.34158	1.5
91.05453	23.5
92.09077	5.5
92.15937	1.8
93.07020	46.6
95.04916	2.0
95.08582	79.9
96.08913	2.3
96.64840	1.6
97.10138	4.2
98.50590	2.0
98.98445	3.9
105.07010	55.1
107.08576	79.9
107.09301	3.4
109.06499	2.3
109.10132	45.9
109.10844	2.1
110.77353	1.5
111.08067	6.2
117.07022	10.1
119.08554	84.8
121.06480	2.0
121.10119	63.7
123.08072	2.7
123.11685	19.7
125.09595	2.1
129.07013	9.7
130.07738	2.6
131.08534	37.6
133.10101	58.3
135.08057	2.9
135.11661	34.8
137.09602	2.4
137.13254	13.9
143.08530	14.8
145.10104	59.2
147.08018	3.4
147.11658	35.5
147.12727	2.4
149.09555	2.8
149.13194	18.9
153.09027	2.1
155.08568	3.1
155.56638	1.9
156.09326	2.4
157.10101	22.5
159.11647	39.4
160.12469	2.3
161.09561	4.0
161.13223	20.4
163.11185	3.6
163.14807	13.0
169.10149	11.0
171.11662	22.1
172.12508	2.3
173.09666	1.9
173.13176	25.2
175.14778	43.9
177.16351	18.9
181.10161	2.9
183.11697	8.9
184.12466	2.4
185.13268	10.1
187.14799	31.4
189.16350	27.4
191.17964	4.1
195.11748	3.1
197.13243	7.2
199.14774	17.2
201.16322	48.6
203.17946	9.1
205.15868	21.1
207.17569	2.0
209.13229	2.6
211.14813	2.4
213.16295	14.8
215.14351	2.2
215.17891	16.6
217.15901	10.1
219.17459	9.5
225.16360	6.9
227.17960	8.4
229.19505	6.1
237.16319	2.1
239.17952	10.1
241.19547	13.8
243.21075	2.5
247.16884	3.5
253.19522	4.1
255.21091	3.2
267.21075	7.4
285.18436	3.7
293.22531	2.3
299.20053	3.0
301.21677	1.9
311.23560	2.2
325.67078	1.8
333.25552	2.1
338.27670	3.8
353.24908	1.9
389.32037	7.7
407.32983	38.6
409.34875	2.9
423.32367	2.7
435.32434	22.7
453.33551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96057	1.0
53.03928	1.6
54.90241	1.2
55.05499	21.1
57.07066	2.6
60.65311	1.2
62.90330	1.1
64.15378	1.2
65.03907	1.7
67.05495	21.1
69.07053	14.6
77.18563	1.0
78.05935	0.9
79.05467	17.8
80.61844	1.0
81.07030	39.4
83.04958	100.0
83.08607	7.4
84.09254	1.3
90.38795	1.0
91.05454	16.2
92.09028	4.9
93.07014	42.3
95.04935	14.6
95.08573	64.1
97.06528	1.6
97.10115	2.5
99.63161	1.0
105.07002	54.6
107.08568	62.8
109.06499	4.9
109.10127	27.2
111.08061	5.4
117.06975	8.4
119.08547	76.6
120.09243	1.1
121.10110	43.3
123.08060	9.7
123.11646	11.1
125.09614	6.4
129.06902	3.4
131.08505	17.0
133.10094	36.9
135.11655	24.1
137.09573	1.7
142.07764	2.1
143.08543	7.5
144.09302	4.9
145.10098	44.4
145.11218	1.9
147.11658	32.5
149.13234	11.2
151.11122	1.6
153.09103	5.6
157.10132	13.8
158.10884	2.6
159.11641	42.0
161.09731	1.1
161.13208	33.9
163.07503	1.8
163.11223	1.6
163.14752	8.1
169.10092	2.8
171.11661	7.0
173.13216	20.7
175.14764	15.5
177.09024	4.2
177.16389	7.0
183.11664	1.7
185.13245	5.5
187.14764	17.8
189.16339	27.4
191.17896	9.3
195.11497	1.2
197.13202	1.6
199.14789	7.1
201.16341	30.4
203.14204	1.8
203.17937	12.3
205.15852	6.5
207.17340	2.0
213.16402	6.7
215.17889	22.2
217.15883	7.1
219.17456	7.4
225.16136	1.3
227.17941	2.2
229.19455	2.7
233.15341	1.6
235.16916	2.6
241.19559	4.7
247.16895	8.5
249.18579	1.7
255.20905	2.4
261.18481	11.4
269.19006	1.2
325.28897	2.3
349.28641	2.2
371.29657	1.7
389.31897	4.8
395.29276	6.6
407.28503	1.3
407.33105	19.1
435.32443	7.7
453.33478	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14923	1.0
55.05501	18.3
57.07059	2.5
67.05494	15.0
68.31007	1.2
69.07040	13.9
79.05468	16.0
81.07037	40.2
83.04964	100.0
83.08585	3.2
83.67164	1.4
85.62606	1.3
87.06478	1.2
90.37979	1.2
91.05456	19.5
92.08885	1.7
93.07017	47.5
93.34898	1.4
95.04942	6.2
95.08584	53.6
97.06538	1.5
105.07005	45.2
107.08575	58.1
107.09296	2.3
109.06496	3.1
109.10127	23.9
111.08075	1.7
117.07007	5.3
117.73522	1.2
119.08552	44.4
121.10117	33.6
123.08081	2.8
123.11665	13.4
125.09611	1.8
129.06992	4.8
131.08545	20.6
133.10100	33.0
135.11656	24.2
137.09573	1.4
143.08556	8.1
144.09312	2.4
145.10107	30.3
147.11667	26.2
149.13229	9.2
151.11186	1.7
157.10126	8.3
158.10925	1.7
159.11655	30.8
161.13205	26.6
163.14793	5.4
169.10139	2.4
171.11636	9.5
172.21344	1.3
173.13199	18.0
175.14758	28.4
175.16133	1.6
177.16299	10.0
185.13258	6.5
187.14803	22.2
189.16322	10.8
191.17926	1.5
193.15932	2.6
199.14819	10.9
201.16325	24.5
203.17892	1.6
205.15878	2.2
213.16367	8.9
215.17920	7.4
219.17474	2.1
227.18007	2.4
241.19470	3.2
243.21062	1.7
255.21017	2.3
259.16959	2.7
266.39078	1.5
267.21005	2.3
269.22556	1.8
306.00372	1.3
341.24600	1.3
349.28943	2.9
389.32004	2.2
395.29416	8.9
407.32947	16.2
409.34293	1.7
435.32495	6.0
453.33588	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.336
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.17864	1.4
55.05502	23.2
55.05738	2.7
57.07061	13.6
59.48676	1.6
67.05493	24.9
69.06711	2.2
69.07060	35.8
69.57381	1.6
71.04958	2.2
79.05470	18.6
81.06589	3.3
81.07036	54.5
83.04924	1.9
83.08590	20.4
85.06535	2.1
91.05450	22.2
92.08889	11.0
93.07032	40.8
93.07582	3.6
95.04932	2.5
95.08002	3.9
95.08582	87.9
97.06559	3.2
97.10155	4.0
105.07013	56.9
107.08573	92.0
107.09294	3.2
109.06498	3.9
109.10143	41.5
111.08078	7.9
117.06983	9.8
119.08556	89.9
119.09394	3.8
121.10122	67.0
123.08057	4.4
123.11675	29.8
127.91114	1.8
128.06219	2.1
128.44310	2.2
129.07019	4.2
131.08528	36.8
133.10110	69.3
133.11124	2.7
135.08029	2.9
135.11668	32.8
137.09650	1.9
137.13213	3.9
138.63364	1.9
139.84393	2.1
142.07779	2.0
143.08530	17.6
144.09378	2.3
145.10094	73.1
147.11665	34.7
149.09647	3.4
149.13246	30.9
151.11133	2.2
153.09047	2.8
155.08615	3.3
156.09277	2.6
157.10098	21.3
159.11659	44.4
161.13231	21.8
163.11192	2.9
163.14789	18.1
169.10103	13.2
170.10916	2.9
171.11632	24.6
173.13213	35.7
175.11166	2.3
175.14790	53.9
177.12856	2.1
177.16374	20.0
179.10576	2.0
181.10176	2.3
183.11662	8.9
185.13223	17.4
187.14778	42.3
189.16354	54.1
189.17924	3.1
191.17899	8.8
193.15926	2.7
195.11609	2.4
197.13245	10.5
198.91972	2.0
199.14804	19.9
201.16339	77.9
201.18167	3.0
203.17920	16.8
205.15860	35.5
207.17392	3.8
209.13313	2.7
211.14806	3.7
213.16400	26.7
215.17912	18.2
219.17435	12.7
223.14816	3.4
225.16394	7.6
227.17940	10.4
229.19458	2.9
231.17300	3.7
233.18971	3.8
235.16891	3.3
237.16356	4.4
239.17824	13.6
241.19426	27.3
243.21054	3.7
245.15251	2.2
247.16803	13.1
251.18002	3.2
253.19484	11.6
255.20924	3.3
259.16879	3.3
259.20486	3.7
261.18387	2.4
265.19415	2.9
267.21033	10.2
273.18546	3.5
285.18481	8.6
287.19977	2.9
299.20059	2.5
389.32153	13.8
407.32986	47.5
409.35022	3.5
423.32489	2.8
435.32471	53.6
436.20676	2.5
453.10788	3.1
453.33563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3359
Annotation	Stellettin J
Peak:m/z	Relative Intensity
54.81191	2.7
54.81477	2.7
55.05507	25.7
57.07058	7.2
58.50813	2.5
67.05479	29.2
67.31720	2.7
69.07053	28.0
79.05466	16.8
81.06599	3.9
81.07040	59.0
83.04959	13.5
83.08611	14.1
91.05448	19.1
92.09066	16.5
93.07016	52.5
95.08586	79.3
97.10130	3.4
105.07011	72.9
105.84721	2.9
107.08570	91.1
109.06503	5.6
109.10139	53.6
111.08042	5.3
117.06997	12.8
119.08558	100.0
121.09280	3.3
121.10127	72.9
123.11668	27.0
126.60187	3.2
129.06993	11.4
131.08548	46.1
133.10115	72.1
135.11676	39.8
137.09637	3.5
137.13220	4.4
143.08499	22.7
144.03444	2.6
145.10103	84.6
146.10707	3.4
147.11687	36.1
149.13217	15.6
153.09167	3.6
157.10063	16.7
158.10953	4.1
159.11665	57.4
161.13249	33.2
163.14793	17.6
164.62910	2.9
169.10054	7.3
170.10960	3.3
171.11646	19.3
173.13248	40.1
175.14801	50.9
177.16330	22.9
185.13220	15.2
187.14775	51.7
189.16353	47.5
189.17975	4.0
191.10358	3.4
191.17981	4.3
193.15971	3.2
197.13280	12.4
199.14787	19.8
201.16356	75.3
203.17917	18.0
205.15833	48.5
211.14763	4.2
213.16414	24.5
215.17926	24.8
217.15700	4.3
219.17409	20.0
223.14810	3.7
227.17853	4.9
229.19455	3.8
235.16914	5.4
239.17934	7.2
241.19452	15.6
243.20769	4.1
247.16934	17.2
253.19434	4.3
267.20972	5.0
290.69397	3.6
389.31998	16.6
395.29337	3.1
407.32959	63.0
435.32880	25.1
442.67749	4.1
453.33536	57.6
454.33990	3.5
461.89249	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	453.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40186	0.5
53.03951	1.2
55.01866	7.4
55.05491	2.2
57.03424	1.0
57.19991	0.4
65.03928	8.2
67.05494	5.8
69.03410	3.1
69.07048	3.0
71.04989	4.3
73.02899	30.5
75.04469	0.5
78.04643	0.7
79.05459	4.7
81.03386	1.2
81.07038	7.6
82.04181	2.7
83.04964	0.9
85.02881	6.9
85.06522	2.7
86.83631	0.5
87.04459	0.5
89.03923	0.7
91.05464	8.8
92.08826	2.8
93.03393	3.2
93.07021	7.5
95.04953	12.0
95.08580	3.3
96.18052	0.5
97.02868	1.2
97.06519	4.0
99.04457	0.6
99.08083	0.9
103.05453	3.6
105.03367	1.4
105.04483	0.8
105.07027	6.2
106.04162	6.4
107.04968	4.0
107.08582	5.4
109.06502	2.9
109.10141	3.2
110.03670	4.9
111.04420	4.5
111.08026	0.8
119.04923	3.1
119.08582	3.8
120.08891	0.6
121.02871	0.7
121.06486	10.0
121.10119	3.5
123.04408	10.6
123.08049	2.1
123.11717	1.2
124.05158	0.6
124.07564	0.6
125.02300	2.3
125.05974	6.0
125.09636	3.0
127.03918	0.7
127.11189	1.0
131.04922	3.2
131.08540	2.3
132.05701	0.7
133.06464	1.1
133.10118	5.3
134.03601	0.5
134.10445	1.0
135.04396	0.9
135.07910	0.8
135.11676	0.8
136.07570	2.6
137.05949	3.2
138.03098	1.3
138.09103	2.2
138.96878	0.5
139.07494	0.7
139.11142	0.6
140.04665	57.1
142.02589	2.2
143.10628	0.7
145.10117	1.2
147.04402	2.2
147.11662	1.2
148.05191	1.0
149.05954	9.1
151.07489	4.4
151.11139	1.4
153.05449	9.0
153.09093	1.0
155.07010	37.6
157.06581	0.6
159.11700	0.9
161.05974	0.7
161.13263	0.7
163.07452	1.2
164.06918	1.0
165.05414	1.0
166.06310	0.7
166.08627	1.2
167.07008	12.2
169.12282	0.7
171.06497	6.5
173.08060	4.4
177.05386	5.4
179.06992	16.9
180.07790	1.2
181.04927	100.0
181.08382	8.1
191.06934	3.9
192.07771	2.2
201.16429	1.0
207.06509	15.2
209.06044	1.0
209.08061	25.2
210.08788	0.7
217.08725	0.7
219.17365	1.3
225.07562	3.0
227.09099	36.6
237.18443	3.6
241.08473	0.9
290.49606	0.6
291.13171	0.7
301.10379	1.8
333.13287	4.3
361.13116	1.0
402.82455	0.6
453.13544	3.2
453.19879	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1516
Annotation	Speranculatine A
Peak:m/z	Relative Intensity
53.03943	0.6
55.05500	1.4
66.72291	0.7
67.05495	3.3
69.03422	0.8
69.07052	3.0
79.05473	3.9
81.07040	6.1
88.22715	0.7
91.05450	3.3
93.07014	4.5
93.31895	0.6
95.04947	1.2
95.08580	5.8
97.06564	0.9
105.03366	2.8
105.07031	5.5
107.07939	0.6
107.08559	5.5
109.06506	1.1
109.10166	4.0
109.71646	0.7
117.06980	1.2
119.08582	5.9
121.10104	1.8
123.07996	0.8
131.08554	3.8
133.10136	4.4
135.08070	1.1
135.11638	1.4
143.08635	0.8
145.10100	4.1
149.09627	1.3
157.10127	1.4
159.11731	1.8
160.08595	0.7
162.81680	0.7
168.37231	0.7
169.10013	0.9
171.03993	0.8
185.13202	1.5
186.06444	1.0
187.14818	1.3
453.15140	100.0
453.33453	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	452.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.8
53.03918	1.3
55.01847	2.8
55.05494	6.2
56.96555	1.6
57.03416	3.6
57.07045	1.4
59.04982	1.1
61.02907	1.5
67.05483	5.1
69.03407	11.1
69.07055	5.1
70.06560	2.9
71.04624	1.1
71.04966	29.2
73.02879	0.9
73.04607	0.6
73.06537	0.7
74.70083	0.6
77.81529	0.7
79.05473	8.3
81.03384	3.6
81.07030	17.8
83.04950	4.6
83.08578	3.4
85.02883	15.0
85.06522	14.5
86.09686	1.2
87.00811	1.1
87.04470	0.9
91.05461	5.4
93.07011	18.8
95.04949	8.2
95.06042	4.3
95.08572	13.7
97.02858	6.2
97.06520	6.3
97.10136	3.7
98.97550	1.5
99.04405	3.8
99.08061	3.7
103.05431	1.0
105.01859	0.8
105.02683	1.1
105.03366	22.2
105.07010	25.7
106.03676	1.6
107.08566	35.8
108.08918	0.8
109.02847	3.7
109.06513	5.7
109.10127	10.9
111.04412	1.0
111.08041	3.7
112.07553	1.2
113.06001	5.6
113.07117	8.7
113.09666	1.5
114.07452	1.0
115.07570	0.7
117.06960	3.0
119.08556	19.5
121.02857	10.1
121.06460	4.8
121.10110	17.5
123.04386	1.7
123.08026	6.6
123.11629	5.1
124.03895	1.5
125.09606	16.7
127.03905	5.0
127.05368	0.7
127.11163	12.2
131.08545	7.7
133.10098	25.4
135.08025	5.4
135.11670	5.6
137.05940	3.0
137.09576	2.8
139.03836	6.9
139.07483	1.1
139.11143	3.8
143.10637	32.0
144.09343	0.7
145.04961	1.6
145.10097	28.2
146.03168	1.2
147.08023	0.8
147.11638	10.4
149.05952	0.8
149.09599	4.1
149.13222	3.3
151.11145	100.0
152.11464	0.9
153.05473	1.0
155.07033	0.7
155.10568	0.9
157.10141	0.7
159.08018	0.9
159.11661	13.3
161.09605	6.5
161.13222	2.6
163.11168	5.5
163.14758	2.8
167.10635	1.0
173.13179	5.7
175.14783	3.1
177.05341	1.2
177.12708	7.4
179.10591	5.9
179.14171	0.7
189.12718	1.0
191.14253	3.6
191.17982	2.9
197.01219	1.2
201.16313	11.3
215.02208	2.7
219.13986	7.6
219.17360	37.1
237.02693	1.2
237.15018	5.2
237.18425	85.4
238.18610	0.8
238.64481	0.8
255.15822	16.6
255.19412	12.3
256.16537	0.8
273.07321	1.1
283.12000	1.0
307.11972	1.0
357.57745	0.9
411.19562	0.8
453.13327	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	1.2
53.03926	6.2
55.01842	1.3
55.05505	14.4
57.03416	7.3
57.07071	10.8
58.20837	0.9
58.76625	0.9
59.04984	1.7
59.97928	0.9
60.08152	1.9
61.02906	2.3
61.09876	1.0
63.81564	1.0
67.05488	35.7
69.03419	17.8
69.07059	42.1
70.07349	1.2
71.01327	1.2
71.04665	1.0
71.04977	14.8
71.08602	2.8
76.71831	0.9
79.05473	23.9
79.91591	1.1
81.03392	16.2
81.07037	82.3
83.04957	5.6
83.08597	12.3
85.02886	22.7
85.06527	45.0
86.09696	16.6
89.05996	1.3
91.05452	9.5
91.05937	1.0
92.08727	3.3
92.09314	2.4
93.06429	1.1
93.07025	40.3
95.04936	8.5
95.08582	70.4
96.08908	1.2
97.02866	10.6
97.06508	27.7
97.10139	8.7
98.06834	7.1
99.04429	2.3
99.08048	5.2
103.45808	1.2
104.10680	1.8
105.03373	91.7
105.07011	16.4
106.46098	1.3
107.08578	55.3
108.04472	1.2
109.02885	9.6
109.06517	4.7
109.09393	2.8
109.10138	70.2
111.08084	8.7
111.11710	2.6
113.05952	1.7
113.09601	1.1
117.06997	1.3
119.08555	12.6
121.10119	100.0
123.04401	9.2
123.08051	4.6
123.11678	31.8
124.99957	10.5
125.09613	9.7
126.09145	2.1
127.03896	6.5
127.07526	1.3
127.11141	2.1
131.08527	2.8
133.06380	1.1
133.10088	9.1
135.11688	25.2
137.09615	6.4
137.13229	9.7
138.64275	1.1
139.11153	8.1
142.42387	1.4
145.04898	1.4
145.10103	17.7
147.11658	11.0
149.09618	2.8
149.13220	9.8
151.11157	7.5
153.09109	1.4
153.12793	1.3
159.11636	18.8
161.02325	2.5
161.13217	7.3
163.03848	5.4
163.11143	16.2
163.14793	1.8
164.04230	6.6
165.08997	1.5
165.16306	2.2
167.10634	6.3
169.12164	5.3
173.02328	4.8
173.13223	1.9
174.02548	1.5
175.14774	6.1
177.12819	2.6
177.16353	44.0
181.12193	20.6
184.07307	31.4
186.11258	2.6
189.16335	2.3
191.17877	4.6
201.16345	32.5
209.18910	1.4
215.06920	2.5
216.07387	8.4
219.17412	29.6
223.13152	1.3
225.18466	1.2
237.18443	85.8
247.89978	1.2
249.07491	11.6
255.15878	17.3
255.19463	75.8
259.09698	8.2
260.10022	12.2
267.08511	7.3
273.20560	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	1.1
53.03929	1.6
55.01867	2.4
55.05499	10.9
57.03419	6.1
57.07054	2.7
58.43612	1.1
59.04987	2.3
61.02912	1.3
67.05476	11.6
69.03413	27.8
69.03765	2.0
69.07044	13.7
71.04971	66.5
75.74812	1.1
79.05471	22.9
81.03399	2.8
81.07036	84.7
83.04958	2.8
83.08598	5.3
85.02887	14.9
85.06542	7.9
87.04511	1.5
91.05464	16.0
93.07018	39.2
95.04929	11.9
95.08586	19.3
97.02881	5.6
97.06496	7.9
97.07080	1.2
97.10110	1.9
99.08076	23.2
103.22332	1.3
104.23587	1.2
105.07009	58.6
107.08571	39.2
107.33112	1.2
109.02862	1.3
109.06499	18.5
109.10145	28.6
111.08065	3.1
113.09649	2.6
117.07001	5.3
119.08555	21.2
121.06481	1.4
121.10111	27.5
123.08044	2.6
123.11693	16.2
125.09593	20.0
127.07545	8.5
127.10259	1.2
127.11163	47.4
131.08536	12.8
133.10100	84.7
135.11655	7.1
137.09593	3.1
137.13347	1.4
139.11121	9.1
143.10663	22.7
145.04962	1.6
145.10097	22.1
147.11693	14.4
149.09521	1.5
149.13181	2.5
151.11153	55.2
155.10657	21.8
159.11661	11.3
161.13234	5.5
163.11160	1.6
167.10643	2.1
169.12212	2.1
177.16319	2.3
177.44568	1.4
189.16505	1.4
191.17966	1.9
195.24562	1.3
201.16388	14.9
219.17433	20.1
224.08057	1.4
237.18439	100.0
255.19470	5.4
287.05478	3.0
288.05698	9.6
289.05984	7.8
290.06253	8.1
311.14929	1.7
333.08075	1.4
404.06848	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.1
53.03936	2.4
54.81395	0.6
55.01873	1.2
55.05503	8.2
57.03428	2.6
57.07079	1.2
60.53950	0.6
61.02908	3.3
61.23156	0.6
67.05475	6.0
69.03414	7.5
69.07050	6.4
71.04975	24.1
73.02904	0.7
73.06536	0.8
73.84538	0.5
78.41563	0.6
79.05479	10.2
79.97284	0.6
81.03409	3.6
81.06589	1.3
81.07034	19.0
83.04967	2.7
83.08582	1.1
85.02884	14.6
85.06517	5.7
91.05452	19.3
92.08949	4.1
93.07018	19.4
94.67046	0.7
95.04923	2.4
95.08575	11.1
95.56734	0.7
97.02883	4.0
97.06507	3.0
97.10153	2.5
99.08094	4.4
105.03383	5.5
105.07014	47.1
107.08582	19.0
109.02895	2.5
109.06499	2.7
109.10139	16.3
111.08097	1.3
117.06989	4.8
119.08562	12.4
121.02824	0.9
121.10114	13.7
123.08023	1.1
123.11676	4.5
125.09599	9.1
127.03899	3.2
127.07541	1.1
127.11184	9.3
131.08549	10.9
133.10109	100.0
135.11702	6.6
137.09608	1.6
139.11188	1.1
143.08511	0.8
143.10638	11.0
145.04955	0.7
145.10104	14.5
147.11681	6.0
149.09653	0.9
149.13278	1.4
151.11212	7.2
155.10645	0.8
157.10138	1.2
158.10939	1.0
158.56516	0.8
159.11681	10.0
161.06056	0.7
161.13243	1.6
163.11163	0.9
167.10754	0.8
169.12248	1.1
173.13249	1.3
175.14758	1.0
175.75958	0.8
178.32420	0.7
187.13298	3.3
191.17970	0.9
194.00465	0.9
201.16348	13.6
219.17407	20.1
237.18456	38.1
255.19513	3.4
267.08817	0.7
288.05676	1.4
289.05972	0.8
290.06424	0.7
409.03647	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
53.10530	0.6
55.01852	2.7
55.05504	14.3
57.03173	1.1
57.03428	20.6
57.07054	5.2
61.02920	5.6
61.07604	0.6
64.47005	0.7
67.05148	1.5
67.05492	37.8
69.03415	7.7
69.07053	26.2
71.01324	5.1
71.04986	6.9
71.08608	1.0
71.55583	0.7
72.05291	0.8
73.02901	0.9
76.77077	0.7
79.05471	33.7
81.03396	8.4
81.07036	48.3
83.04968	9.5
83.08603	5.8
85.02891	13.3
85.06526	25.3
86.09655	0.8
91.03933	3.3
91.05465	18.0
92.08820	2.8
93.07024	47.6
93.98306	0.8
95.04945	5.4
95.08584	29.5
97.02872	6.0
97.06504	21.9
97.10133	7.8
98.06846	3.0
99.04408	3.9
99.08046	7.4
105.03362	11.8
105.07021	7.3
107.04924	1.1
107.08574	44.0
109.02875	1.2
109.06519	1.4
109.10139	22.8
111.08048	3.5
111.11669	2.9
113.09557	1.1
114.36839	0.7
115.03928	0.7
117.07000	4.8
119.08549	8.7
121.06493	1.8
121.10127	38.5
123.04346	1.4
123.08018	1.1
123.11664	11.5
125.05981	1.0
125.09574	4.6
127.03903	3.9
127.11155	1.3
128.06177	0.8
133.10095	5.0
135.11673	61.3
137.09593	3.6
137.13229	3.4
139.11104	3.8
145.04944	1.2
145.10097	16.6
147.11644	1.3
149.09590	1.2
149.13249	1.6
151.11171	1.7
153.12723	4.6
155.10542	1.0
156.83414	0.7
159.11644	4.6
161.02341	2.7
161.13206	3.3
162.02634	1.5
163.03844	4.9
163.11130	11.9
164.04202	3.7
167.10674	1.3
173.02290	4.1
173.13245	1.0
174.02618	1.5
175.14731	1.2
177.16339	15.5
181.12190	19.3
184.07373	1.6
190.02046	0.9
191.17955	1.2
194.05235	0.9
199.13176	7.1
201.16307	6.2
207.02832	4.4
208.03151	3.1
215.07013	3.8
216.07274	1.5
219.17345	10.2
237.18436	19.2
247.96254	0.7
249.26736	0.7
254.18387	1.1
255.15839	100.0
255.19450	19.6
259.09555	5.0
260.09940	7.8
263.53793	0.9
267.08411	0.9
268.00583	0.9
269.63000	0.8
273.20535	17.8
324.59848	0.7
417.21118	1.3
451.52435	0.8
453.21252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01861	0.4
55.05501	0.5
56.70972	0.3
56.96560	0.2
57.03419	1.2
57.07047	0.2
61.02911	0.3
67.05484	1.4
69.03061	0.4
69.03416	6.4
69.07074	0.3
69.45649	0.3
71.04971	0.5
73.02919	0.3
74.48489	0.2
79.05470	6.2
79.67751	0.2
81.03398	9.0
81.07039	2.6
83.04977	0.5
85.02887	12.0
91.05473	0.3
92.08740	1.3
92.09389	0.4
93.07015	1.4
95.04945	5.1
95.08563	1.2
97.02870	6.4
97.06499	0.4
99.04442	1.9
105.03372	100.0
105.07014	1.1
106.03695	0.6
107.08574	1.5
108.31780	0.2
109.02860	7.0
109.06517	1.2
109.10136	11.9
119.08545	0.4
120.08060	0.3
121.10139	0.4
123.04399	13.0
123.08036	0.4
123.11685	1.2
127.03891	5.6
131.08559	0.5
133.10127	1.1
141.57175	0.3
145.04997	0.6
145.10127	0.5
151.11118	1.8
157.10088	0.4
169.12256	1.4
186.16592	0.2
231.06555	2.0
231.14265	0.2
249.07500	8.7
267.08569	25.8
315.10941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01864	0.3
55.05539	0.3
57.03425	0.9
61.02907	0.3
62.10200	0.4
67.05502	1.3
68.34056	0.4
69.03418	7.8
69.07038	0.4
71.04961	0.8
74.04666	0.3
79.05479	8.9
81.03394	9.7
81.07054	1.1
85.02891	12.8
89.03915	0.3
91.05445	0.5
92.09207	2.0
93.07020	1.5
94.82117	0.4
95.04947	4.2
95.08596	0.7
97.02869	4.8
99.04436	2.6
105.03374	100.0
105.06991	1.4
107.08579	2.0
109.02855	5.9
109.10133	2.6
117.03391	0.7
118.03765	0.4
119.08531	0.4
121.10096	0.7
123.04405	15.3
123.11662	1.4
127.03893	6.5
131.08522	0.5
133.10101	0.9
135.04387	2.2
136.04759	1.5
139.65923	0.4
145.02853	1.4
145.04845	1.1
145.10138	0.4
146.03151	0.9
157.10121	0.3
163.03891	6.5
164.04222	4.6
169.04948	4.0
170.05275	2.1
231.06575	0.7
249.07529	8.0
267.08569	22.8
285.90527	0.4
452.19629	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82525	0.1
52.96396	0.1
53.03939	4.7
54.39980	0.1
55.01855	1.0
55.05494	0.8
57.03431	1.7
61.02913	0.3
62.62514	0.2
65.84174	0.2
67.05489	1.2
69.03410	8.2
69.07039	0.9
71.04977	1.5
73.02896	0.3
73.89703	0.2
77.03918	0.4
79.05470	5.6
81.03397	19.2
81.07029	2.4
83.04962	0.4
83.08590	0.2
85.02884	7.6
85.06525	1.1
87.04443	0.3
91.05460	0.3
92.09099	0.3
93.07027	0.8
95.04945	5.8
95.08575	1.9
96.08920	0.2
97.02867	12.0
97.06497	1.2
98.06834	0.3
99.04424	2.3
105.03369	100.0
105.07005	0.9
106.03700	0.3
106.48742	0.2
107.08574	1.2
108.04467	1.2
109.02850	8.7
109.10136	1.5
115.03896	0.9
119.08569	0.3
121.10119	1.2
123.04401	6.6
123.11683	2.4
125.09624	0.3
127.03891	6.7
133.04903	0.7
133.10141	0.3
135.11615	0.4
137.09602	0.3
139.11107	0.3
145.04965	1.5
147.11697	0.4
151.03870	0.7
159.11653	0.3
163.03896	0.3
163.11179	0.2
164.04276	0.3
165.12701	0.2
173.02370	0.2
176.15120	0.2
184.07318	0.9
193.12282	0.2
201.16290	0.2
219.17491	0.2
229.14325	0.2
232.11200	0.2
237.18504	0.3
249.07521	16.9
255.19460	0.9
259.09647	0.2
260.10074	0.3
267.08554	6.1
273.20483	0.3
332.06213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.2
51.48208	0.1
53.00288	0.2
53.03939	3.8
54.81788	0.2
55.01859	0.7
55.05497	0.9
57.03434	1.4
57.07049	0.2
59.04990	0.4
61.02905	0.4
67.05498	1.7
69.03417	7.1
69.07053	2.0
71.04978	2.2
73.02890	0.7
77.03909	0.4
79.05478	6.0
81.03399	16.7
81.07034	3.2
83.04968	0.4
83.08630	0.3
85.02889	8.9
85.06515	1.7
86.09675	0.2
87.04449	0.2
89.06005	0.4
91.05453	0.8
93.07024	2.1
95.01334	0.2
95.04948	5.5
95.08578	2.5
97.02867	10.3
97.06510	2.5
98.06053	0.2
98.06834	0.3
99.04433	2.6
99.08064	0.3
101.02415	0.2
105.03373	100.0
105.06976	1.4
106.03721	0.7
107.04933	1.1
107.08587	2.3
108.04453	0.4
108.08884	0.2
109.02859	9.5
109.06478	0.4
109.10150	2.4
110.10525	0.2
111.08050	0.7
113.09580	0.3
117.07005	0.2
119.08552	1.1
121.06522	0.2
121.10141	1.9
123.04408	9.9
123.08047	0.4
123.11636	1.2
125.09600	0.9
127.03883	5.9
127.11109	0.2
131.08568	0.4
133.10091	2.1
135.08080	0.3
135.11673	1.0
137.09627	0.3
138.09926	0.2
145.04936	1.7
145.10091	0.6
147.04405	0.3
147.11693	0.7
149.06021	0.2
149.09482	0.2
149.13313	0.2
151.11182	0.7
159.11623	0.9
161.02295	0.3
161.13210	0.6
162.02602	0.2
162.13641	0.2
163.03880	0.6
169.12215	0.2
173.02336	0.3
174.02646	0.2
175.14740	0.3
179.03389	0.7
187.13269	0.2
195.84935	0.2
199.14865	0.2
201.16278	0.4
207.02831	0.2
215.07028	0.7
216.07379	0.4
219.17398	0.8
231.06548	0.3
236.17235	0.2
237.18361	1.5
249.07527	17.7
254.18320	0.7
254.21979	0.2
255.19571	1.9
259.09631	0.8
260.09943	1.1
267.08588	14.2
273.20535	0.4
418.53604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.2
53.00297	0.4
53.03938	4.3
55.01860	1.6
55.05500	5.0
57.03431	2.5
57.07059	1.1
57.82656	0.3
59.04979	1.3
61.02908	1.7
67.05492	6.5
69.03416	11.0
69.06712	0.5
69.07053	7.2
70.06581	0.3
71.04972	6.4
72.08137	0.3
73.02899	0.7
73.06528	0.5
77.03906	0.5
79.05482	9.2
81.03397	18.3
81.07037	14.7
81.07530	0.4
83.04962	3.9
83.08598	1.6
85.02889	12.5
85.06528	4.3
87.04437	0.6
91.05457	6.8
93.07023	14.0
94.07357	0.6
95.04951	14.0
95.08585	12.8
97.02871	11.4
97.06506	4.7
97.10130	0.6
98.06863	0.4
99.04422	3.1
99.08061	1.5
101.05972	0.4
105.03373	100.0
105.07001	10.8
106.03739	0.4
107.04928	1.6
107.08578	15.7
108.04457	0.6
109.02864	10.4
109.06499	2.9
109.10142	12.4
109.10858	0.6
110.10464	0.5
111.04408	0.3
111.08071	1.7
111.11722	0.6
115.05423	0.3
115.07534	0.7
115.54921	0.3
117.07023	2.1
119.04915	1.6
119.08549	6.7
120.39513	0.3
121.06490	1.3
121.10120	11.0
123.04404	20.5
123.08044	2.9
123.11678	3.1
125.09583	3.1
126.05596	0.3
127.03896	7.3
127.07515	0.6
127.11145	0.4
129.06981	1.2
131.04982	0.4
131.08546	3.8
132.08864	0.4
133.10107	10.0
135.04414	2.4
135.08031	0.5
135.11668	6.9
136.04723	0.5
137.02338	0.6
137.05951	8.6
137.09578	3.8
137.13309	1.0
138.09927	0.4
139.11150	1.4
141.09088	1.8
143.10655	3.0
145.02785	0.4
145.04929	3.0
145.06601	0.3
145.10107	5.7
147.04376	0.5
147.11665	2.9
149.05949	0.7
149.09589	0.6
149.13235	5.1
151.03893	9.2
151.07509	7.1
151.08635	0.4
151.11128	3.4
153.12749	0.7
155.10657	1.6
157.06441	1.3
157.10124	0.4
159.10185	1.9
159.11678	6.7
161.05984	2.0
161.09663	0.3
161.13252	3.4
163.03857	0.6
163.07529	1.3
163.11157	1.6
163.14799	0.5
165.05522	0.3
165.09074	0.5
167.08513	0.4
167.10577	0.4
168.10184	0.4
169.12175	0.4
173.02350	0.4
173.13246	1.5
174.06732	0.6
175.07527	0.6
175.14792	1.8
177.05492	0.6
177.12782	0.4
177.16393	1.7
179.14325	0.5
179.88037	0.3
181.12193	0.6
189.09059	3.0
189.16405	0.7
191.03349	0.5
191.17905	0.6
193.10136	0.3
195.08054	2.0
201.16386	3.9
207.10056	0.4
213.14822	0.5
215.07002	1.2
216.07372	0.5
219.17390	5.1
221.09613	1.1
223.07610	0.5
225.09119	0.4
227.10707	1.9
236.16998	0.5
237.18471	10.3
237.20773	0.6
249.07503	20.9
253.08493	1.2
253.12201	1.1
254.18333	0.4
255.06914	0.3
255.10106	1.9
255.15878	0.4
255.19537	3.7
259.09619	0.5
260.10022	0.5
267.08539	17.1
269.07974	0.5
272.10580	0.4
285.11182	1.3
287.12711	1.9
288.05530	0.3
301.14340	0.5
313.14288	2.6
321.54767	0.3
329.82370	0.3
330.14584	1.5
331.15411	1.8
405.19058	4.7
458.40881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.3
53.03720	0.2
53.03942	3.7
55.01851	0.4
57.03421	0.8
61.02909	0.3
69.03414	7.1
71.04986	1.3
73.02901	0.3
77.03921	0.4
79.05476	5.8
81.03399	16.8
81.07026	0.4
83.04420	0.2
85.02888	8.4
85.47138	0.2
91.05388	0.2
95.04949	5.5
95.08590	0.4
97.02872	9.7
99.04420	2.6
105.03374	100.0
106.03699	0.4
107.08571	0.2
109.02861	8.7
109.10152	0.2
119.30884	0.2
123.04407	9.0
127.03890	5.6
133.10136	0.2
145.04953	1.3
161.05891	0.2
168.44701	0.2
215.07039	0.2
231.06602	0.4
237.18396	0.4
249.07526	17.2
267.08585	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	451.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.9
55.22973	1.4
57.07060	3.4
58.89109	1.4
67.05496	15.5
69.03400	2.4
69.07053	16.7
70.49703	1.6
79.05488	19.6
81.07037	39.2
83.04953	2.9
83.08601	9.0
91.05449	18.6
92.09009	14.8
93.07021	40.1
95.04930	3.9
95.08588	60.4
97.06516	2.1
97.10130	2.7
105.07016	55.5
107.08575	59.0
109.10140	28.4
111.08053	2.0
115.05463	2.5
117.06968	9.4
119.08553	100.0
121.06445	1.9
121.10112	33.1
123.08073	3.4
123.11682	10.2
128.06181	6.7
128.34961	1.6
128.40355	1.6
129.06981	8.0
130.07784	2.2
131.08549	30.9
133.06490	1.7
133.10106	54.3
135.08022	34.4
135.11636	13.5
141.06969	3.0
142.07767	14.5
143.08543	24.4
144.09314	2.1
145.10106	62.9
146.07172	3.0
147.08020	8.4
147.11667	39.1
149.09579	8.9
149.13251	7.6
153.06914	2.9
153.09129	2.7
155.08536	16.4
156.09288	20.4
157.10091	46.5
158.07283	2.8
158.10875	3.2
159.08052	21.9
159.11653	36.6
160.08807	3.9
161.09595	68.8
161.13216	19.6
163.11182	2.8
163.14812	12.6
167.08531	10.5
168.09334	2.6
169.10098	25.5
170.10855	19.1
171.11641	35.6
172.08713	2.7
172.12616	1.8
173.09587	24.8
173.13191	27.6
174.10326	3.3
175.11143	39.6
175.14793	19.1
177.16322	15.9
181.10056	3.1
182.10779	19.4
183.11676	11.8
184.12524	2.3
185.13219	41.9
186.10355	6.8
187.11130	13.0
187.14777	50.5
189.12680	12.8
189.16336	30.0
191.10666	1.9
191.14339	2.4
191.17905	8.0
193.10074	2.3
194.10861	1.9
195.11659	7.3
197.13216	41.2
199.11258	2.9
199.14803	15.1
201.12720	34.0
201.16341	15.0
203.14299	85.7
203.17889	35.5
205.19580	6.1
209.13261	2.7
211.14809	3.5
213.12750	2.0
213.16365	10.3
215.14297	24.6
215.17834	3.5
217.15828	8.0
217.19466	2.3
221.15453	1.7
223.14748	2.2
225.16417	2.2
227.14281	7.5
229.15811	38.2
229.19504	2.4
231.17358	14.6
237.16394	2.3
241.19463	2.1
247.16840	3.4
249.18341	3.9
251.17891	2.4
253.19585	2.2
291.21042	3.4
309.21939	2.0
344.31424	4.0
345.31741	6.1
387.30194	2.7
405.31412	45.2
421.30954	14.4
423.32242	2.5
433.31180	19.4
450.37625	6.3
451.31921	39.3
451.38144	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13105	1.2
55.05497	10.3
57.02231	1.3
57.07056	1.3
67.05486	14.7
67.05796	1.3
69.03431	2.5
69.07041	14.3
71.00290	1.5
79.05457	11.4
81.07028	26.6
83.08600	7.9
85.27224	1.6
91.05451	22.7
92.08674	2.0
92.09200	6.3
93.07005	26.9
95.04935	1.8
95.08574	40.6
97.10141	3.0
105.07001	41.5
107.08566	40.5
109.10136	21.3
117.07038	5.7
119.08549	74.5
121.06455	2.1
121.10107	24.4
123.07991	3.1
123.11662	2.9
128.06206	3.1
129.06981	6.6
131.08542	37.5
133.10094	48.4
135.08022	32.0
135.08969	2.4
135.11659	12.3
141.06938	1.5
142.07771	9.3
143.08519	24.3
144.09213	1.7
145.06439	1.5
145.10091	61.3
146.07278	2.6
147.08072	7.6
147.11653	33.4
149.09581	9.2
149.13257	6.7
151.11171	2.1
153.09053	6.4
155.08545	6.4
156.09290	13.2
157.10095	34.5
158.10902	2.7
159.08012	17.6
159.11618	32.2
160.08792	3.5
161.08243	2.5
161.09578	79.7
161.10854	3.4
161.13225	21.1
163.14835	8.6
169.10118	9.7
170.10873	7.0
171.11615	22.6
172.08792	6.4
173.09564	20.8
173.13217	27.6
174.10315	2.7
175.11130	38.6
175.14761	22.7
177.12764	2.1
177.16386	9.9
181.10078	3.0
182.10800	3.7
183.11679	10.5
185.13210	28.9
186.10324	3.9
187.11176	14.3
187.14774	54.5
188.11905	2.8
189.12714	8.3
189.16324	30.3
191.14203	2.0
196.12447	2.1
197.13174	25.1
199.14804	18.3
201.12698	27.0
201.16339	18.2
203.14272	100.0
203.17911	37.3
205.15762	1.9
211.14796	6.7
213.16362	10.2
215.14258	13.1
215.17857	7.4
217.15880	6.8
219.13708	2.1
225.16301	2.7
227.14238	3.0
227.17815	3.0
229.15837	25.6
229.19308	2.2
231.17369	12.5
243.17271	2.6
247.16789	1.6
265.19455	1.9
375.30380	1.7
387.30457	7.0
405.31537	23.3
421.30930	11.6
423.32156	6.0
433.30756	19.7
451.26135	2.6
451.31924	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	451.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	0.7
53.03934	0.7
54.07926	0.3
54.82134	0.3
55.01870	3.3
55.05506	3.0
57.03430	3.0
58.18855	0.3
58.38224	0.3
67.05498	3.9
68.78442	0.3
69.03411	3.1
69.07054	15.3
71.04980	1.7
75.78329	0.3
78.53115	0.3
79.05476	13.6
81.03416	0.5
81.07053	3.1
82.07392	0.4
83.04971	2.6
83.08601	0.4
85.02894	3.0
85.06538	0.6
89.03893	4.4
91.05457	1.6
92.08646	0.9
92.09247	0.9
93.07017	3.0
95.04942	2.5
95.08571	3.3
97.02898	0.8
97.06507	100.0
99.04458	0.5
100.16484	0.4
104.28331	0.4
105.03368	2.1
105.07011	2.1
107.04935	1.7
107.08595	2.4
108.08913	0.5
109.02852	0.4
109.06532	0.5
109.10145	1.9
111.04429	0.8
113.09647	0.4
117.03354	5.6
119.04919	0.8
119.08588	1.8
121.10127	1.8
123.11697	0.8
124.75840	0.4
127.03933	0.4
130.80865	0.4
131.08533	0.5
133.02853	2.6
133.10078	0.5
134.03601	0.4
135.04387	10.8
135.11699	0.6
137.09660	0.4
145.02821	10.3
147.04391	2.0
147.11757	0.6
149.13261	0.6
159.04372	7.8
159.08075	0.7
161.02309	29.1
163.03871	51.5
167.14301	1.5
173.02310	53.4
185.05977	2.4
186.03134	0.7
187.03926	0.7
187.07515	1.6
189.05463	0.8
191.03329	4.1
199.04012	0.4
215.06995	61.9
233.08194	0.7
235.16872	1.7
250.18025	0.4
253.17953	2.1
254.18268	0.5
259.09598	88.4
260.10065	0.6
271.19031	0.9
310.29703	0.4
339.92981	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.05492	0.7
57.03435	0.5
58.11718	0.3
66.03134	0.3
67.01852	2.3
67.05480	2.0
68.99767	1.9
69.03416	0.4
69.07044	1.9
71.04960	0.7
71.20933	0.3
79.05474	3.6
79.67605	0.3
81.02934	0.5
81.03397	14.7
81.07040	2.5
83.04944	0.4
85.02874	1.4
89.03895	8.9
91.05448	1.4
92.08826	2.2
93.07005	1.6
95.04937	1.5
95.08566	2.1
97.02853	0.6
97.06504	0.7
97.10110	0.5
99.04436	11.1
105.03362	1.8
105.07003	2.2
107.04947	3.2
107.08575	1.8
109.02863	12.8
109.10127	1.6
111.04440	0.3
117.03352	11.0
118.03379	0.3
119.08543	2.1
121.10117	0.7
127.03884	11.3
129.07040	0.4
131.08493	0.7
133.10078	1.4
135.04387	28.2
135.11685	0.4
145.01675	0.7
145.02831	19.1
145.10095	0.6
147.11624	0.6
149.09575	0.6
149.13196	0.4
157.09995	0.6
159.04413	0.3
159.11652	0.7
161.13187	0.4
163.03867	100.0
164.04189	0.6
169.04919	52.0
171.11647	0.5
211.05914	2.3
242.53275	0.4
243.85031	0.4
259.09534	0.4
271.05954	1.4
289.06903	1.6
331.08051	1.4
451.19278	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.2
57.07062	15.8
59.04403	0.8
67.05495	3.3
69.07054	20.2
71.08605	12.8
79.05469	2.2
81.07032	13.8
83.08617	9.0
85.02903	1.3
85.10149	7.4
91.05455	1.9
92.09018	5.2
93.07011	8.2
95.04903	1.1
95.08581	20.2
97.06532	1.0
97.10115	8.0
99.04430	1.1
99.08086	3.9
102.11895	0.8
105.06993	6.3
107.08587	8.2
109.10153	11.6
109.28015	1.2
111.11724	2.3
119.08561	12.9
121.05597	2.2
121.06467	54.5
121.10118	7.5
123.11664	5.1
131.08565	6.3
133.10075	13.1
135.08022	2.0
135.11641	4.1
137.13237	1.2
143.08557	7.6
145.10081	10.3
147.08025	5.6
147.11690	6.7
149.09616	2.1
149.13232	2.2
153.67545	0.9
157.10129	6.1
159.11678	8.9
161.09576	16.3
161.13229	7.1
163.11047	1.2
163.14795	1.6
169.10051	1.7
171.11658	5.1
173.13188	11.2
175.11067	3.9
175.14780	1.9
175.83696	1.0
177.16289	1.2
179.10658	1.4
185.13223	3.6
185.22560	0.9
187.14824	4.9
189.12737	1.5
197.13208	1.7
199.14774	5.1
201.12836	1.2
201.16393	4.1
213.16331	1.4
215.14336	1.3
215.18002	3.5
217.15747	1.2
239.17828	2.0
257.19250	1.4
275.19937	1.2
301.28900	1.4
332.40155	1.3
339.30298	2.2
355.33423	6.7
357.31482	4.2
373.34515	5.4
397.34552	8.7
415.35580	100.0
433.36670	3.7
446.89020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.9
53.41791	1.2
55.05502	18.3
57.07052	2.4
62.60994	1.7
63.92167	1.4
64.63490	1.6
67.05493	23.3
69.03406	2.5
69.07059	11.5
71.04974	16.0
72.60789	1.5
79.05462	24.7
81.07034	64.5
81.64501	1.7
83.08615	2.5
85.06532	3.0
87.04504	2.1
91.05456	39.9
92.08694	6.6
92.09315	3.6
93.07021	89.8
95.04947	14.1
95.08579	52.0
103.05457	2.1
105.04469	1.9
105.07009	100.0
107.08566	37.9
109.06500	31.7
109.10130	20.8
111.08054	11.7
117.06995	16.0
118.33932	1.7
119.08549	93.9
121.06445	2.9
121.10117	40.4
123.08006	2.0
123.11658	2.4
128.06183	3.0
129.06949	7.4
130.07787	3.2
131.08537	26.3
133.10103	26.3
135.08023	2.5
135.11658	8.5
137.09593	6.7
142.07762	7.6
143.08548	12.2
144.09309	8.0
145.10081	34.9
147.11656	31.4
149.13229	6.9
155.08609	2.2
156.09308	7.9
157.10123	24.3
159.11673	40.1
161.13214	16.9
169.10052	6.5
171.11664	11.3
173.13228	10.2
175.10986	2.1
175.14757	2.0
177.12759	9.5
183.11586	2.5
185.13251	11.4
187.14793	10.9
189.16344	10.7
197.13188	3.6
199.14775	2.8
211.14827	2.2
213.16299	3.2
227.17805	3.0
255.20958	2.8
288.05878	2.9
295.61966	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09894	1.8
53.03935	3.3
55.05499	18.0
59.04980	2.2
63.55509	1.6
67.05490	22.8
68.88396	1.6
68.93256	1.9
69.07046	12.5
71.04969	2.9
75.25161	1.9
77.25880	1.8
77.88443	1.7
79.05472	28.1
80.46973	1.7
81.07036	100.0
83.04959	7.6
83.08597	6.4
85.02892	3.5
91.05460	25.8
92.08702	4.1
92.09259	4.2
93.07021	53.9
95.04932	10.2
95.08582	51.4
97.06501	2.9
105.07003	66.5
107.08573	42.2
109.06483	10.6
109.10143	15.8
111.08022	2.1
117.06991	10.4
119.08558	57.3
121.10126	39.1
123.08002	2.1
123.11762	2.5
130.07828	2.5
131.08522	15.7
133.10110	20.7
135.11682	3.7
137.09569	2.6
143.08528	12.3
144.09308	3.9
145.10130	22.7
147.11635	12.8
149.13220	4.2
156.09348	3.9
157.10089	14.4
159.11664	25.1
161.13211	12.6
163.14722	4.1
171.11623	4.0
173.13240	7.9
175.14818	2.4
183.11732	2.5
185.13274	7.4
187.14815	3.5
189.16339	26.3
199.14798	3.4
201.16327	3.9
213.16455	6.6
215.17940	10.7
227.17953	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40377	0.3
53.00281	0.5
53.03743	0.3
53.03944	3.6
55.01859	1.9
55.05233	0.4
55.05502	10.5
57.03430	6.4
57.07056	1.8
59.04988	2.3
60.04522	0.3
61.02897	3.1
65.03915	0.5
67.05490	11.0
69.03416	18.1
69.07054	5.0
71.01324	0.4
71.04976	4.8
73.02899	1.8
75.04469	0.7
79.05004	0.3
79.05471	13.5
81.03401	10.5
81.07039	15.1
83.04961	13.7
83.08614	1.5
85.02887	26.2
85.06524	7.3
86.09689	0.4
87.04445	5.2
89.05972	0.3
91.03943	0.8
91.05461	9.9
92.09055	0.4
93.07023	18.3
95.04944	10.1
95.08588	9.4
97.02862	10.9
97.06498	6.3
99.04408	2.8
99.08067	0.7
101.05992	1.4
103.05461	0.5
105.03373	100.0
105.07010	19.0
106.03674	0.8
107.04921	3.1
107.08581	15.3
109.02860	6.7
109.06488	4.5
109.10145	15.1
111.04404	0.5
111.08080	1.6
113.05987	3.6
115.03223	0.4
115.03928	2.8
115.05431	0.4
117.06986	2.7
119.04884	0.4
119.08562	17.7
121.02856	2.4
121.06473	2.3
121.10122	7.4
123.04409	15.1
123.08047	2.8
123.11684	1.6
125.05992	0.8
125.09612	0.8
127.03896	7.9
127.07547	0.7
128.06175	1.4
129.05461	0.4
129.06976	2.0
130.07738	0.7
131.07024	5.8
131.08528	8.1
133.04951	2.9
133.06427	0.4
133.10106	12.6
135.08069	2.4
135.11679	2.7
137.05997	0.4
137.08371	1.7
137.09589	4.9
139.03909	0.6
139.07529	3.8
139.11121	0.5
141.05432	0.4
141.09103	0.6
142.07700	2.5
143.08563	3.5
144.09271	0.7
145.04915	2.5
145.10091	5.5
147.08052	1.7
147.11665	9.0
148.07524	0.5
149.08156	1.9
149.09605	7.5
149.13249	1.5
151.07538	0.6
151.11169	2.0
153.09161	0.4
155.10643	0.4
156.06593	0.6
156.09344	0.6
157.10103	6.8
159.11671	7.1
161.09534	3.1
161.13225	0.8
163.07463	0.5
163.11157	0.6
166.04996	2.2
166.08627	2.2
167.06966	0.6
167.09084	1.9
167.10542	1.0
171.10219	0.5
171.11664	1.4
173.13216	2.3
175.11192	1.9
175.14816	1.7
177.12756	0.7
179.10567	0.6
184.06009	1.9
184.09660	1.4
189.16357	2.8
199.14778	4.0
215.06987	0.5
217.12335	0.5
217.15840	7.0
231.06604	0.6
235.13335	0.6
235.16881	7.4
249.07529	4.1
253.14305	4.5
253.17950	1.8
267.08572	19.5
271.15323	0.5
312.77148	0.4
397.22195	0.4
437.06702	0.3
450.17490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.6
55.01860	2.6
55.05498	0.9
57.03428	9.4
59.04973	0.9
61.02915	8.7
65.03916	0.7
67.05484	2.1
69.03416	25.7
69.07043	1.0
70.06581	1.9
71.04984	4.2
73.02887	5.3
75.04445	0.8
79.05466	8.3
81.03400	10.1
81.07037	2.7
81.68762	0.5
82.60561	0.5
83.04958	2.5
84.40101	0.5
85.02889	80.7
85.06528	0.7
87.04449	6.5
89.06005	2.0
91.03931	3.6
91.05460	43.7
93.07010	3.0
95.04951	6.8
95.08574	3.0
97.02866	28.9
97.06505	0.7
99.04419	4.6
101.02364	3.4
103.03921	13.1
103.05441	1.1
105.03373	100.0
105.06983	4.9
106.03709	3.0
107.04962	3.7
107.08572	2.4
107.23837	0.4
109.02866	9.0
109.06500	1.9
109.10149	0.8
112.28613	0.5
115.03909	5.3
117.06976	3.5
119.04999	0.5
119.08524	4.2
121.04975	0.5
121.06486	5.0
121.10104	2.0
123.04417	14.0
123.08039	0.5
123.11691	0.6
125.09584	0.6
127.03896	15.2
129.06963	0.9
131.04950	0.5
131.08543	2.1
133.04918	2.4
133.06493	1.0
133.10106	0.9
135.04390	0.6
135.08043	0.5
137.05956	14.3
137.09601	0.5
140.53050	0.5
143.08563	0.9
145.02921	0.9
145.04938	16.4
145.06432	1.6
145.10098	2.1
147.04366	1.7
147.11687	0.8
149.04434	14.9
149.05750	1.3
150.07576	0.5
151.11263	0.5
157.06494	0.6
157.10065	1.2
159.11676	1.2
161.09717	0.7
163.06012	7.9
163.07408	1.3
167.07040	2.5
175.07518	2.5
175.11143	0.7
175.14822	0.7
177.05461	1.1
177.12746	0.8
179.07005	6.6
189.12611	0.6
193.08572	0.7
199.14777	1.0
217.08612	1.9
217.15820	2.2
235.09602	2.1
235.13174	0.6
235.16876	2.8
249.07654	1.8
252.97862	0.7
253.07001	7.3
253.10637	3.0
257.13806	0.6
265.10651	1.1
267.08508	5.1
271.08075	6.5
271.11081	0.6
287.05560	1.0
288.05746	3.0
325.11353	0.5
454.44687	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03939	4.3
53.93326	0.2
55.01861	0.3
57.03415	1.2
62.95345	0.2
68.09270	0.2
68.25359	0.2
69.03416	6.9
69.07057	0.3
71.04961	0.9
74.57644	0.2
77.03915	0.5
79.05040	0.3
79.05475	5.0
81.03400	17.8
81.07024	0.4
85.02893	6.7
92.08822	1.0
93.07020	0.5
95.04945	4.6
95.08617	0.4
97.02869	10.9
99.04433	2.5
105.03375	100.0
108.04499	0.3
109.02866	9.8
119.08564	0.2
123.04403	7.7
127.03897	5.7
137.09613	0.3
145.04933	1.6
149.13213	0.2
231.06612	0.3
249.07535	21.1
253.17963	0.3
256.87961	0.2
264.26169	0.2
267.08575	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	450.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55434	0.6
53.03928	4.5
55.01849	1.5
57.03419	8.1
59.73149	0.6
61.02912	9.0
66.26124	0.6
69.03413	21.7
70.03738	1.0
71.04948	1.4
73.02898	1.6
79.05478	3.6
81.03400	13.2
85.02887	70.5
86.03233	0.8
87.04435	3.2
91.03894	3.1
91.05458	100.0
92.09051	3.8
95.04931	3.3
97.02866	31.9
99.04414	4.5
105.03370	60.8
105.03951	0.8
105.04417	0.9
106.03711	9.1
109.02859	8.0
114.37798	0.8
115.03899	3.6
117.06980	0.9
123.04383	5.1
124.04732	1.0
125.89372	0.7
127.03902	14.1
128.32364	0.8
129.06993	1.3
143.08507	1.0
145.04924	16.1
145.06200	0.9
145.06525	1.0
161.04456	1.7
163.06007	9.1
171.08014	1.2
183.08629	1.6
217.08539	1.1
235.09720	1.3
249.07445	5.1
250.07758	1.4
253.10570	2.8
259.83643	0.7
267.08533	8.7
268.08920	1.5
297.07986	0.7
326.21747	0.7
340.70825	0.7
384.19504	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66738	0.2
53.00318	0.2
53.03942	3.4
55.01883	0.8
55.05506	1.9
57.03424	1.5
57.07070	1.0
61.02918	0.5
64.34206	0.2
67.05485	2.2
69.03413	8.9
69.07050	3.3
71.04609	0.3
71.04976	6.0
73.02892	0.4
73.06529	0.5
77.03886	0.3
79.05475	6.0
79.25948	0.2
81.03400	20.0
81.07040	3.5
83.04956	0.3
83.08604	1.1
85.02890	8.8
87.00816	1.4
87.04452	0.5
91.05461	1.1
92.08869	0.4
93.07030	3.8
93.67367	0.2
95.04949	5.4
95.08582	8.4
97.02869	11.9
97.06509	2.8
99.04433	2.7
101.02356	0.3
103.05420	0.2
105.03374	100.0
105.06988	2.1
107.04906	0.3
107.08578	4.6
109.02860	10.8
109.06482	0.4
109.10155	2.8
109.83751	0.2
115.03939	0.4
117.07033	0.3
119.07719	0.2
119.08576	1.3
121.10116	3.3
123.04406	8.9
123.11684	2.1
125.09610	0.3
127.03883	6.8
129.05403	0.3
131.04883	0.4
131.08566	0.4
133.10094	1.1
135.11705	0.4
136.96133	0.2
137.09573	0.4
145.04962	1.8
146.71530	0.2
147.04445	0.3
147.08022	0.2
149.06078	0.3
149.13231	4.5
157.10110	0.3
159.11707	0.4
163.03917	1.3
167.14290	11.7
173.02301	1.0
173.13277	0.3
175.14737	0.4
215.06973	0.5
235.16888	1.1
249.07520	20.6
253.17995	1.7
257.15240	0.2
259.09613	1.3
267.08591	11.9
271.19006	1.2
366.03329	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
53.03936	3.8
55.01855	0.3
57.03428	1.1
61.02904	0.2
65.90818	0.1
67.05460	0.2
69.03413	6.9
69.94415	0.1
71.04965	0.8
73.02889	0.3
74.18597	0.1
77.03898	0.6
79.05469	4.4
79.50156	0.1
81.03394	16.9
81.07038	0.2
85.02887	6.3
91.05469	1.1
92.08807	0.8
92.09360	0.3
95.04941	5.4
95.05517	0.3
97.02864	8.9
99.04433	2.0
105.03368	100.0
108.04462	0.2
109.02855	7.6
109.10149	0.2
112.87316	0.1
121.06470	5.3
123.04401	7.7
127.03889	5.8
145.04922	1.2
149.05968	1.0
184.08571	0.1
230.14571	0.1
233.62907	0.1
249.07512	16.8
267.08566	10.1
274.97083	0.1
312.91080	0.1
357.76736	0.1
398.58810	0.2
399.54504	0.2
440.58240	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01859	0.4
57.03428	1.9
57.07078	0.2
59.04967	0.2
61.02911	1.2
69.03416	9.6
69.07056	0.2
70.06561	0.8
71.04972	1.6
72.08128	0.3
73.02895	1.1
77.03898	0.2
79.05471	6.1
81.03400	15.4
81.07029	0.2
83.04962	0.3
84.08133	0.2
84.81545	0.2
85.02889	13.9
86.09679	0.3
87.04460	1.0
89.06010	2.7
91.05463	1.5
92.09248	0.6
93.07027	1.0
95.04954	5.0
95.08598	0.3
97.02872	10.6
97.06527	0.2
99.04434	2.3
105.03375	100.0
105.07008	1.0
106.03716	0.3
107.04916	0.3
107.08549	0.3
109.02859	9.0
111.04423	0.4
115.03906	1.1
115.05419	0.3
117.06992	0.3
119.08574	0.9
121.02847	7.2
121.06489	1.2
123.04406	11.2
124.07558	0.9
127.03896	6.7
129.07004	0.7
131.08502	0.3
133.04962	0.7
133.06499	0.3
133.10118	0.4
136.07539	0.2
137.02301	0.4
137.05946	0.2
139.03909	0.3
143.08540	0.3
145.04947	2.4
145.06453	0.3
145.10083	0.3
147.08005	0.9
147.11638	0.4
149.04373	0.3
149.09654	0.2
157.10063	0.4
159.11681	0.2
161.05974	0.8
163.07513	0.2
167.06871	0.6
175.07518	1.2
177.05356	0.3
187.07469	0.2
205.08643	0.2
207.10109	0.8
213.52890	0.2
217.08684	0.2
217.15933	1.0
231.06538	1.0
235.09607	1.9
243.06453	0.8
249.07526	16.1
253.07103	0.4
253.10594	0.9
253.13982	0.2
267.08582	18.1
271.11780	0.3
287.05396	4.2
288.05771	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	450.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01859	0.4
57.03428	1.9
57.07078	0.2
59.04967	0.2
61.02911	1.2
69.03416	9.6
69.07056	0.2
70.06561	0.8
71.04972	1.6
72.08128	0.3
73.02895	1.1
77.03898	0.2
79.05471	6.1
81.03400	15.4
81.07029	0.2
83.04962	0.3
84.08133	0.2
84.81545	0.2
85.02889	13.9
86.09679	0.3
87.04460	1.0
89.06010	2.7
91.05463	1.5
92.09248	0.6
93.07027	1.0
95.04954	5.0
95.08598	0.3
97.02872	10.6
97.06527	0.2
99.04434	2.3
105.03375	100.0
105.07008	1.0
106.03716	0.3
107.04916	0.3
107.08549	0.3
109.02859	9.0
111.04423	0.4
115.03906	1.1
115.05419	0.3
117.06992	0.3
119.08574	0.9
121.02847	7.2
121.06489	1.2
123.04406	11.2
124.07558	0.9
127.03896	6.7
129.07004	0.7
131.08502	0.3
133.04962	0.7
133.06499	0.3
133.10118	0.4
136.07539	0.2
137.02301	0.4
137.05946	0.2
139.03909	0.3
143.08540	0.3
145.04947	2.4
145.06453	0.3
145.10083	0.3
147.08005	0.9
147.11638	0.4
149.04373	0.3
149.09654	0.2
157.10063	0.4
159.11681	0.2
161.05974	0.8
163.07513	0.2
167.06871	0.6
175.07518	1.2
177.05356	0.3
187.07469	0.2
205.08643	0.2
207.10109	0.8
213.52890	0.2
217.08684	0.2
217.15933	1.0
231.06538	1.0
235.09607	1.9
243.06453	0.8
249.07526	16.1
253.07103	0.4
253.10594	0.9
253.13982	0.2
267.08582	18.1
271.11780	0.3
287.05396	4.2
288.05771	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	450.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20045	0.2
51.02360	0.4
53.03942	2.3
53.75198	0.2
55.01843	1.1
55.05499	0.5
57.03423	1.6
61.02900	0.4
69.03412	11.9
71.04966	0.5
73.02876	0.4
78.03426	10.1
80.05007	2.0
81.03393	14.0
83.04958	2.0
85.02889	7.5
87.04440	0.4
92.08788	0.6
92.09264	0.3
96.04483	2.7
97.02872	2.9
99.04440	2.6
100.98728	0.3
106.02891	43.5
109.02864	6.9
111.04409	1.5
124.03921	100.0
125.04167	0.3
127.03890	3.3
129.05443	1.3
147.06462	0.5
155.64684	0.3
165.07518	0.5
166.05042	0.6
183.08597	0.6
193.36362	0.3
196.05928	0.3
232.05968	0.7
250.07042	5.9
268.08087	37.0
409.15375	0.3
450.15961	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85781	0.2
53.03943	3.3
54.01003	0.2
54.61428	0.2
55.01865	0.4
55.05490	0.2
57.03424	2.0
57.03648	0.2
59.91398	0.2
61.02907	1.1
69.03417	9.7
70.06582	0.3
71.04978	1.6
71.17213	0.2
73.02898	0.9
75.00098	0.2
76.56450	0.3
77.03902	0.3
79.05476	6.4
81.03400	16.0
83.04984	0.3
85.02890	13.1
87.04456	1.2
89.06020	1.6
89.06474	0.2
91.05461	0.9
92.00712	0.2
92.09282	0.4
93.07033	0.4
94.80083	0.2
95.04946	5.4
95.08575	0.4
97.02261	0.4
97.02871	10.7
99.04432	2.6
103.03951	0.3
105.03376	100.0
105.06982	0.9
107.04953	0.3
107.08594	0.3
109.02863	9.6
115.03928	1.0
119.08550	0.5
121.02841	4.3
121.06474	0.3
121.10100	0.3
123.04410	11.5
124.07552	0.5
124.87120	0.2
124.90895	0.3
125.05958	0.3
125.11814	0.2
127.03896	7.7
129.06963	0.2
131.08507	0.5
132.73010	0.2
133.04926	0.5
137.02293	0.3
137.05965	0.3
139.03847	0.3
145.04962	1.7
145.06305	0.2
145.10109	0.4
147.04506	0.2
147.08080	0.4
159.11699	0.4
161.05949	0.3
175.07558	1.3
178.05746	0.2
191.19958	0.2
204.38124	0.2
207.10097	0.3
231.06520	1.2
235.09647	1.4
243.06561	0.3
248.66443	0.2
249.07533	14.8
253.10674	0.4
267.08575	16.3
271.11615	0.2
287.05496	3.6
288.05783	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	449.3986
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
50.02187	1.6
55.05501	36.3
57.07069	26.7
61.62385	1.4
67.05491	17.7
69.03429	2.1
69.07050	35.0
71.08607	14.0
79.05463	2.9
81.07025	21.8
83.08607	27.5
85.10153	6.7
91.05470	7.2
92.08992	16.3
93.07003	12.7
95.04962	2.6
95.08591	20.0
97.10148	24.8
105.07006	3.9
106.00608	1.8
107.08570	7.6
109.06496	3.8
109.10138	21.9
110.06825	2.0
111.08057	16.5
111.11697	3.5
117.06974	2.0
119.08545	22.5
121.06360	5.8
121.10115	9.0
123.04424	15.6
123.08050	10.5
123.11703	10.5
125.05985	2.7
133.10080	8.8
135.11650	10.7
137.05980	2.2
137.09599	26.6
137.13226	2.7
139.07533	43.1
147.08051	2.0
147.11647	2.5
151.11206	13.5
153.09076	3.4
159.61000	1.8
161.13229	2.1
165.09067	10.9
165.12718	9.6
179.10721	2.0
179.14235	9.6
183.10100	2.5
193.15829	9.3
207.17465	2.0
217.46437	2.0
219.17361	9.0
230.24762	8.6
231.25117	3.4
239.07635	2.0
287.05499	4.6
347.29465	3.4
403.39328	20.3
431.38766	53.0
449.39783	100.0
472.67657	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3984
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
51.47502	2.0
52.75481	1.9
55.05513	33.9
57.07073	28.1
59.36293	2.0
60.99607	2.0
67.05491	14.8
69.07057	35.3
71.08604	18.5
72.83344	2.0
74.92148	2.9
79.05487	3.2
81.07042	17.6
83.08593	29.4
85.10159	4.2
91.05472	9.6
92.09138	2.6
93.07019	13.2
95.04914	3.2
95.08571	22.2
97.06493	3.7
97.10151	33.0
105.06982	6.2
106.44991	2.7
107.08598	9.7
109.06487	3.3
109.10146	17.6
111.08070	15.2
119.08556	30.2
121.06508	3.3
121.10109	10.5
123.04395	12.3
123.08015	5.0
123.11684	12.9
133.10088	6.0
135.11682	5.4
137.09578	28.1
139.07516	46.1
147.08041	3.1
147.11650	3.2
151.11200	9.8
153.97232	2.7
165.09111	11.5
165.12732	8.8
175.11195	2.8
175.14742	4.1
179.14313	12.3
189.16414	3.6
193.15932	5.0
221.18840	2.9
248.49516	2.5
287.05472	5.6
347.29233	4.0
403.39359	23.6
431.38803	59.6
432.38821	2.9
449.34048	4.6
449.39832	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	449.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
52.45550	0.3
53.00264	0.4
53.03944	3.9
55.01862	0.9
55.05495	0.8
57.03428	3.5
61.02903	2.6
69.03416	23.6
71.01334	0.5
71.04972	0.8
73.02886	1.4
74.24834	0.3
77.03902	0.5
79.05475	8.5
81.03397	10.8
83.04964	4.2
85.02892	16.8
87.04439	1.5
90.85612	0.4
91.03930	0.5
92.09137	1.5
95.04946	6.2
97.02877	3.7
99.04443	2.5
103.03874	0.5
105.03371	100.0
109.02868	5.4
111.04415	3.6
123.04400	14.1
127.03893	4.7
129.05441	5.2
145.04884	0.5
147.06511	3.1
165.07550	2.5
183.08627	7.9
211.42725	0.4
231.06491	0.7
249.07538	4.6
254.67926	0.4
267.08575	13.0
270.78131	0.4
281.91815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
54.81626	0.2
55.01852	0.6
55.05487	1.4
55.06234	0.2
57.03419	3.9
61.02925	2.4
69.03413	21.2
71.04967	1.8
73.02888	1.5
79.05474	8.5
81.03394	10.0
83.04965	5.1
85.02888	17.1
87.04449	2.1
91.03919	0.3
92.09016	0.3
93.92808	0.3
95.04951	5.5
97.02849	3.4
99.04437	3.3
103.03919	1.4
105.03371	100.0
109.02858	5.3
111.04422	4.0
117.05477	0.3
123.04396	15.4
127.03877	4.3
129.05458	5.0
145.04976	1.1
145.83246	0.3
147.06493	2.4
165.07472	2.3
180.08012	0.3
183.08607	6.0
211.17111	0.3
231.06407	0.6
249.07501	3.4
267.08575	12.7
357.77292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
53.03717	0.3
53.03941	4.0
55.01854	1.4
55.05491	1.4
57.03204	0.2
57.03427	3.5
59.05001	0.3
61.02913	1.9
67.05502	0.2
69.03414	24.1
71.04967	1.4
71.05331	0.3
73.02875	1.0
77.03900	0.6
79.05470	9.4
81.03397	10.4
81.31017	0.3
83.04960	5.7
85.02888	17.3
87.04452	1.4
92.09104	0.6
95.04945	6.3
97.02866	3.4
99.04432	2.6
103.03892	0.5
104.16518	0.3
105.03370	100.0
105.04522	2.6
106.23888	0.3
109.02863	4.7
111.04416	4.3
119.84864	0.2
123.04395	13.9
127.03896	3.8
129.05444	5.8
137.64317	0.2
145.04944	1.3
147.06493	2.2
150.62839	0.3
165.07561	2.5
183.08601	6.0
231.06447	0.6
249.07510	3.7
267.08560	12.0
289.83185	0.3
402.10181	0.3
410.41339	0.3
451.43286	0.3
470.60699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01847	1.0
55.05498	0.8
57.03434	3.4
57.31131	0.4
59.13105	0.3
61.02908	2.5
61.61095	0.3
67.89923	0.4
68.80981	0.4
69.03413	21.5
69.28359	0.4
73.02897	0.4
79.05470	9.2
81.03397	9.3
83.04967	6.5
85.02885	15.7
85.58820	0.4
87.04433	1.6
92.08963	1.3
95.04943	6.8
97.02853	4.6
99.04433	2.7
103.03914	0.5
105.03368	100.0
109.02856	4.3
111.04433	4.3
123.04401	14.2
124.90562	0.4
127.03860	4.4
129.05435	5.1
140.01877	0.4
145.04897	0.8
147.06493	2.4
158.95743	0.5
164.92169	0.5
165.07559	2.6
183.08594	5.9
228.93004	0.5
231.06343	0.6
249.07518	4.7
251.21167	0.4
267.08563	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	449.1415
Annotation	TyrMe-Met-OH
Peak:m/z	Relative Intensity
60.04519	3.2
69.03412	5.8
84.04472	2.4
85.02898	10.3
96.63331	1.7
97.02850	3.5
119.01940	2.3
172.91267	1.4
223.06535	1.5
225.06433	2.7
389.13440	3.0
405.94556	1.5
431.14682	1.8
449.14130	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	449.1074
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
52.25696	0.2
53.03947	1.3
55.01874	2.1
55.05504	2.0
57.03427	3.8
59.04982	0.3
61.02908	3.4
61.50942	0.2
64.33909	0.2
68.99764	0.4
69.03412	21.3
70.06562	0.2
71.01335	0.2
71.04956	1.7
73.02897	1.1
75.04462	0.2
78.24345	0.2
79.05476	0.7
81.03397	3.2
81.07035	0.2
83.01305	0.2
83.04963	6.8
85.02886	8.5
87.04444	2.4
91.03926	1.1
91.05463	0.3
92.07063	0.2
92.08787	0.4
92.09338	0.4
93.03351	0.2
95.04934	1.0
97.02379	0.2
97.02868	8.2
99.04431	3.3
103.03896	1.5
105.03368	13.6
105.07023	0.3
109.02862	1.2
109.06499	0.3
110.14280	0.2
111.03735	0.3
111.04419	3.8
115.03872	0.2
115.05418	0.2
117.05445	0.3
117.07008	0.4
121.02810	1.0
123.04416	1.5
127.03896	1.6
129.05457	6.0
135.04436	0.2
137.02330	3.0
137.03313	0.4
137.05983	0.4
137.09550	0.2
145.04939	2.7
145.06430	0.4
145.10060	0.2
147.04463	0.4
147.06520	2.7
149.02347	0.4
157.06447	0.3
161.05917	0.4
163.03996	0.2
165.01770	0.4
165.07535	3.2
173.05989	0.3
175.07491	0.2
178.06207	0.2
183.08606	6.1
185.05937	1.0
189.05357	0.8
193.04851	0.2
213.05432	2.8
216.04167	0.2
231.06436	1.5
241.04903	1.5
243.89404	0.2
259.05954	0.3
267.08572	0.7
269.04294	0.4
269.10156	0.2
287.05429	100.0
288.05710	0.4
392.10986	0.2
449.10376	0.8
449.15991	2.0
467.53305	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
52.46261	0.2
53.03933	0.5
54.09972	0.2
55.01866	0.3
57.03434	1.6
61.02909	2.4
61.94996	0.2
68.99772	1.1
69.03415	4.2
70.92431	0.2
73.02879	0.8
77.53631	0.2
81.03402	2.1
85.02888	10.4
85.07128	0.2
85.14249	0.2
87.04450	0.2
91.03884	0.3
92.08936	1.3
96.12145	0.2
97.02855	3.2
99.04408	0.4
105.03352	0.3
107.04923	0.5
109.02842	1.5
111.00777	0.9
111.45885	0.2
121.02831	4.4
127.03894	1.6
133.02794	0.5
137.02315	1.4
140.60558	0.2
143.46246	0.2
145.04971	0.8
145.06413	0.4
147.04373	0.9
153.01796	6.9
157.06462	0.4
159.04169	0.2
161.05978	0.2
161.32233	0.2
165.01791	2.5
171.04390	0.4
183.01443	0.2
183.02788	1.4
185.05965	1.0
213.05466	2.5
231.06496	1.5
241.04813	1.7
258.05215	2.0
259.05991	0.4
280.66736	0.2
287.05435	100.0
288.05661	1.5
387.86459	0.2
414.13556	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01860	0.1
57.03423	0.9
58.58630	0.1
61.02916	9.9
63.69710	0.1
68.99780	1.0
69.03416	1.4
70.35361	0.1
71.04984	0.1
73.02541	0.1
73.02905	2.3
79.05476	0.1
81.03410	0.6
83.01308	0.1
85.02893	6.5
87.04444	0.1
90.97530	0.1
91.03396	0.1
91.03940	3.1
91.05444	0.1
92.08759	0.1
95.04942	0.1
97.02875	3.6
99.04435	0.1
101.02361	0.2
105.03387	0.8
107.04958	0.6
109.02853	0.7
111.00784	1.2
111.04420	0.1
115.03873	0.1
121.02847	4.3
121.03767	0.2
121.06472	0.1
127.03881	1.0
129.06935	0.1
133.02823	0.8
133.06544	0.1
135.04393	0.2
137.01335	0.1
137.02327	1.5
141.06879	0.1
145.04918	0.4
145.06503	0.3
147.04405	0.9
153.01813	6.0
157.06490	0.7
161.06013	0.2
165.01814	2.7
169.06436	0.1
171.04324	0.4
173.05946	0.1
175.03860	0.1
183.02858	1.6
185.05884	0.7
189.05438	0.1
193.01372	0.1
197.05870	0.2
203.06921	0.1
212.90724	0.1
213.05443	2.3
229.04883	0.1
231.06516	1.1
241.04903	1.5
245.04286	0.1
258.05188	1.7
259.06015	0.7
269.04330	0.3
287.05453	100.0
288.05844	1.0
449.93060	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	448.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46855	0.3
55.00994	0.3
57.07053	0.4
63.33510	0.3
64.33321	0.4
67.05489	2.2
78.06307	0.3
81.07046	0.8
83.04974	0.5
92.09121	0.6
93.07018	1.3
95.08598	0.4
108.09383	0.7
109.06543	0.4
109.10134	4.6
119.08568	3.1
121.06486	12.1
122.07235	1.8
131.29333	0.4
135.08051	0.7
136.08810	16.5
137.09595	15.4
149.02309	1.9
149.05939	0.5
149.09595	1.8
151.07471	0.4
152.08331	1.5
164.08299	33.6
165.09077	100.0
168.75354	0.4
177.09004	0.8
177.12764	0.5
178.09882	0.4
187.11122	0.5
190.09846	0.7
205.12186	5.7
287.05502	0.5
430.37979	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.1
51.02358	0.2
53.03938	3.7
54.08649	0.1
55.01865	0.6
55.05502	0.1
57.03424	1.0
61.00798	0.1
61.02900	0.4
64.17406	0.1
67.05491	0.2
69.03416	6.6
69.24074	0.1
71.04973	1.0
73.02896	0.2
77.03922	0.5
79.05473	4.0
80.04998	0.2
81.03400	17.8
81.07030	0.2
83.04977	0.1
85.02885	6.0
93.92863	0.1
95.04948	6.7
95.08563	0.1
97.02870	10.0
99.04432	2.5
100.49059	0.1
101.02387	0.1
103.03945	0.1
105.03373	100.0
106.03699	0.4
107.08599	0.1
108.04467	2.0
108.88406	0.1
109.02859	8.9
119.08530	0.2
123.04401	6.0
126.05508	0.2
127.03889	5.6
137.05975	0.1
145.04964	1.6
163.24802	0.1
207.06496	0.2
231.06529	0.1
249.07521	21.0
266.10205	0.1
267.08572	6.7
356.80615	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	448.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.2
53.03939	3.7
55.01860	0.4
55.05494	1.3
56.96563	0.2
57.03437	1.8
61.02929	0.3
65.03883	0.2
67.05489	0.4
69.03412	7.6
69.07054	0.3
71.04979	1.9
73.02888	0.9
75.04459	0.9
77.03907	0.4
79.05479	3.5
81.03401	16.9
81.07036	0.4
81.66377	0.2
83.04967	4.4
85.02892	10.2
91.05460	1.8
92.09220	0.9
93.07011	0.4
95.04960	5.4
95.08608	0.3
97.02869	13.4
99.04433	3.0
101.06017	0.2
105.03375	100.0
105.07007	1.0
106.02902	0.2
106.03696	0.5
107.04893	0.2
107.08572	0.4
109.02862	9.1
109.10134	0.3
111.04427	5.6
115.36082	0.2
117.06993	0.4
119.04942	0.4
119.08563	0.8
121.02840	1.0
121.06477	0.4
123.04403	7.0
125.05908	0.3
127.03883	6.6
129.05438	3.1
131.08559	0.4
133.06459	0.2
135.08067	0.2
137.05977	0.4
145.04951	1.4
145.10135	0.8
147.11673	0.5
149.06111	0.2
149.49107	0.2
159.11687	0.9
165.05496	0.4
176.01648	0.2
177.05510	0.3
184.42062	0.2
191.07089	0.2
215.14241	0.3
231.06465	1.1
233.15347	0.3
237.07631	1.3
249.07512	15.7
251.09155	0.2
251.12688	0.8
251.16270	0.4
267.08588	10.9
269.17389	0.2
377.12064	0.3
385.70087	0.2
395.13226	1.2
440.44717	0.3
468.38757	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01859	0.5
55.05491	0.5
57.03407	2.1
57.85836	0.3
59.04956	0.4
61.02908	2.0
62.98645	0.3
69.03416	12.0
71.04973	0.6
73.02887	2.3
77.03911	0.6
79.05467	6.5
81.02927	0.7
81.03394	16.7
83.04955	1.6
84.77259	0.3
85.02886	15.6
87.00840	0.3
87.04444	1.6
88.36010	0.3
89.03891	1.6
91.03941	1.7
91.05445	3.0
91.41390	0.3
92.09167	0.6
95.04949	5.3
97.02866	11.2
97.06498	0.4
99.00793	0.5
99.04418	1.9
101.06006	0.5
104.12894	0.3
105.03371	100.0
105.07018	1.8
106.03667	0.4
107.04954	0.7
109.02858	9.4
111.04392	1.4
115.03904	2.0
117.03353	9.7
117.42772	0.4
119.03379	0.4
119.04933	2.5
120.04427	0.4
123.04408	14.4
127.03907	6.4
129.05461	1.5
133.04921	1.6
133.06442	0.9
133.10144	0.4
136.07550	5.2
137.05954	1.5
145.02824	30.5
145.04919	1.9
145.10114	0.6
146.26344	0.3
147.04372	0.7
147.06520	0.3
149.05971	3.0
149.09825	0.5
165.05463	3.9
165.09102	2.3
177.05429	33.6
182.08099	3.9
214.09383	0.6
231.06407	0.7
240.09018	0.4
249.07549	13.5
251.12630	0.5
267.08566	17.8
268.08978	0.4
339.10858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01866	0.4
55.05495	1.3
56.92930	0.2
57.03430	2.2
61.02910	0.4
62.04709	0.2
67.05477	0.5
68.92939	0.2
69.03065	0.4
69.03413	6.9
69.07066	0.2
70.06557	0.3
71.04973	4.9
73.02888	1.3
75.04434	0.4
79.05473	4.1
81.03396	15.7
81.07035	1.5
83.04966	4.5
85.02885	12.8
85.03310	0.3
86.09699	0.3
86.10464	0.3
91.05453	1.6
92.09090	1.5
93.07029	1.6
95.04383	0.4
95.04936	5.5
95.08590	0.4
97.02863	10.0
97.06499	1.1
99.04443	2.8
105.03370	100.0
105.07000	1.4
106.03698	0.4
107.08555	1.2
108.04465	0.5
109.02857	10.2
109.06515	0.4
109.10121	0.4
110.06041	0.3
111.04433	4.3
111.08050	0.5
112.85506	0.3
117.23486	0.3
119.04898	1.4
119.08558	0.6
120.05255	0.5
121.10097	1.0
121.86324	0.2
123.04415	6.1
127.03892	6.0
129.05481	1.8
131.08493	2.0
133.10107	0.5
136.03928	1.4
137.05948	0.5
145.02760	0.3
145.04933	1.9
145.10081	1.2
147.06508	1.0
147.11668	0.4
149.09636	0.4
154.05009	0.3
157.10121	0.4
159.11667	0.4
163.56651	0.3
165.75937	0.3
173.13313	0.5
182.04448	14.0
187.11084	0.3
187.14839	0.3
197.13148	0.3
215.14262	0.4
231.06459	1.9
233.11772	0.3
233.15327	0.6
249.07518	19.3
251.12756	0.4
251.16508	1.1
267.08563	13.8
378.98065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.2
53.03939	4.0
55.01875	0.3
55.05481	0.2
57.03419	1.1
61.02910	0.4
69.03416	6.8
71.04971	1.2
73.02850	0.3
77.03874	0.7
79.05473	4.3
81.03395	16.0
85.02888	7.8
91.05441	0.3
92.09251	1.1
95.04951	4.9
97.02866	9.5
97.03496	0.3
97.60497	0.2
99.04426	2.6
105.03371	100.0
106.03687	0.4
109.02135	0.4
109.02859	8.9
119.04930	1.4
119.08549	0.2
123.04395	8.4
127.03883	5.8
145.04901	1.6
147.04382	5.4
158.69604	0.2
249.07512	18.6
267.08566	14.1
413.12140	0.3
424.26053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57174	0.2
51.02357	0.4
51.31153	0.2
53.03939	4.5
55.01863	0.4
56.87270	0.3
57.03418	0.5
61.02908	0.6
64.52909	0.2
65.03921	0.4
67.05480	0.3
69.03416	7.6
71.04963	0.6
71.21096	0.3
73.02904	1.2
77.03912	0.7
79.05482	4.5
81.03395	16.9
83.04967	0.6
85.02886	7.6
91.03909	0.5
91.05459	6.7
92.08987	1.1
93.03349	0.4
95.04946	9.7
97.02866	8.1
99.04434	1.9
103.05439	0.5
105.03371	100.0
107.04935	4.0
109.02865	7.8
111.04417	0.6
117.03323	1.2
118.06548	0.4
119.04918	10.5
120.04440	3.4
121.06484	1.3
121.10100	0.3
123.04400	23.2
125.04720	1.2
127.03877	5.7
135.06784	0.6
136.07552	33.1
145.02840	3.8
145.04921	1.3
145.10008	0.4
146.06009	0.4
147.03339	0.4
147.04378	10.3
147.05453	0.5
149.05939	0.5
160.07629	0.4
165.05432	21.5
166.04965	2.8
177.05437	5.0
178.08614	1.2
182.08090	22.4
200.93633	0.3
216.71840	0.3
224.09125	1.3
233.15315	0.4
243.04408	0.3
244.09712	0.3
249.07542	11.6
267.08585	8.0
272.09216	0.4
277.74960	0.3
290.10187	0.5
394.12640	0.3
397.62494	0.3
412.13794	1.2
430.14493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85680	1.7
53.30849	1.4
55.05507	34.5
57.06818	3.0
57.07070	58.7
67.05484	14.5
69.03426	3.0
69.07054	55.9
71.08614	39.9
79.05463	8.8
81.07044	27.4
83.04976	2.2
83.08607	33.9
85.10167	16.2
91.05447	10.7
92.09189	2.4
93.07018	16.2
95.08574	26.9
97.10144	27.2
105.07001	8.3
107.08607	13.6
109.06505	22.0
109.10147	29.6
111.04446	9.8
111.08054	8.0
111.11698	12.8
117.07080	2.0
119.08561	12.6
121.06471	19.1
121.10146	8.6
123.08024	13.2
123.11753	3.1
125.05949	6.9
131.08531	4.4
133.06412	2.2
133.10103	7.0
135.08052	11.7
135.11703	3.4
135.68864	2.1
137.05951	100.0
137.09599	10.7
139.07510	81.2
145.10118	12.4
147.07979	2.4
147.11649	3.1
149.09669	4.1
149.13234	2.4
151.07536	42.1
153.09103	3.7
159.08005	2.0
159.11681	9.9
161.09616	3.4
163.11185	7.8
165.09096	34.4
167.10649	1.9
169.08522	2.6
173.13246	4.3
177.09045	9.6
177.12657	2.1
179.10683	2.5
187.11104	8.5
187.14731	2.8
191.10609	21.4
201.12675	3.0
205.12224	12.9
205.91101	2.0
219.13757	4.0
373.42880	2.0
383.36584	8.4
385.34549	7.6
401.37704	9.2
403.35361	3.4
411.36133	8.6
419.38757	20.3
429.36969	9.8
447.38544	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62287	1.8
55.05496	14.9
57.07058	9.7
69.07014	2.6
71.08614	4.6
83.04962	36.2
83.08598	3.4
83.30177	2.1
85.10189	4.2
92.08734	4.2
93.06999	10.8
95.08572	2.4
97.77911	1.9
99.49796	2.2
111.08067	3.8
121.05738	2.7
121.06467	21.6
127.07558	2.7
133.06442	2.4
135.08022	11.0
137.09651	3.8
139.07523	62.6
140.66058	2.3
149.09605	2.8
151.07516	4.0
153.09071	8.2
163.07510	9.6
164.61925	2.1
169.08571	13.1
181.08566	8.5
273.33304	2.2
325.21289	2.4
447.32425	3.8
447.38248	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	447.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97673	1.0
55.05305	1.1
55.05502	16.0
57.07064	9.0
67.05492	2.0
69.07047	7.5
69.21206	1.0
71.08611	6.1
79.05475	2.1
81.07024	5.0
83.04963	44.6
83.08598	5.1
85.10159	4.6
91.05459	4.8
92.08852	5.2
93.07032	12.7
95.04945	1.2
95.08570	6.5
95.90578	1.2
97.06508	1.0
97.10159	1.1
99.08089	1.5
105.07066	1.3
107.08564	6.8
109.06501	5.9
109.10168	2.1
111.04373	1.5
111.08055	4.1
121.06486	26.4
121.10088	1.3
123.08077	1.6
125.05952	1.7
127.07539	9.7
135.08015	13.6
137.09608	2.7
138.86617	1.2
139.07518	74.8
145.10092	2.4
149.09644	4.4
151.07547	1.8
153.09082	6.4
154.36569	1.1
163.07468	15.1
165.09134	2.2
167.10599	1.8
177.12682	1.7
181.08585	7.0
181.12219	2.1
213.35289	1.1
405.37030	1.5
447.38202	100.0
448.38690	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3829
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05502	15.6
57.07066	12.4
61.57369	1.2
65.37639	1.5
67.05483	2.0
69.07048	8.9
71.08608	11.8
79.05471	2.4
81.07031	6.9
83.04966	47.4
83.08615	5.9
84.45802	1.3
85.10149	1.9
91.05480	3.4
91.15505	1.3
92.08984	1.5
93.07019	19.5
95.04950	2.0
95.08580	6.2
97.06489	1.6
97.10146	2.7
99.08070	2.9
107.08564	7.0
109.06506	5.9
109.10186	1.5
111.08052	2.9
121.06478	30.5
121.10098	2.0
123.04388	1.9
123.08006	3.3
126.40757	1.6
127.07530	9.6
135.08044	14.8
137.09587	7.9
137.27336	1.4
139.07521	82.9
149.09581	5.8
151.07539	2.3
153.09105	9.1
153.60487	1.5
161.74631	1.5
163.07491	16.3
163.11180	2.7
165.09048	3.0
167.10640	2.1
169.08487	1.6
180.07521	2.7
181.08543	8.8
217.49478	1.5
219.98271	1.3
241.53029	1.4
295.80826	1.5
360.89267	1.6
401.37546	1.6
429.37180	2.5
447.38254	100.0
448.38315	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3079
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
55.05510	2.2
57.07061	1.9
67.05470	1.1
69.07043	5.0
71.08588	1.1
72.04468	1.1
81.07036	2.1
83.08597	1.5
92.08697	4.5
92.09327	3.1
95.08585	2.2
102.89675	0.8
109.10097	1.3
137.02063	1.4
151.07596	1.6
157.53265	1.0
158.44827	0.9
183.02567	2.0
263.24652	0.9
375.32208	3.7
419.31311	2.0
446.42410	1.0
447.30545	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	447.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95333	1.6
51.02106	1.8
54.32019	2.3
55.05513	16.2
56.05832	2.0
57.07055	11.8
67.03209	1.9
69.07049	5.2
71.08603	3.6
83.04968	39.0
83.08600	2.7
83.94154	2.1
91.05440	2.5
93.07014	12.2
95.08559	4.2
97.10131	3.6
107.08549	4.6
109.06510	3.4
111.08096	3.3
115.42313	2.0
121.06491	25.0
123.07980	2.7
127.07513	3.9
135.07999	12.2
137.09572	2.8
139.06502	3.8
139.07523	66.7
149.02277	3.3
149.09619	2.9
153.09091	4.7
163.07520	14.6
167.10664	3.5
181.08617	5.0
430.78186	2.2
447.38211	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	447.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83358	2.3
54.04329	2.0
55.01870	18.5
55.05506	50.7
57.03428	70.3
57.07056	11.9
57.92123	2.4
62.09729	2.2
62.45388	2.0
65.26170	2.3
67.05484	12.0
69.07054	47.2
71.08606	6.3
71.63276	2.2
79.05482	10.5
81.07032	13.8
83.08611	33.8
91.05456	2.8
92.09003	19.1
93.07015	15.6
95.08598	17.5
97.06530	2.5
97.10152	16.5
98.98447	86.1
98.99049	4.7
105.06993	3.2
107.08582	9.6
111.11671	3.4
112.99987	4.0
116.99474	2.4
119.08529	3.5
121.10127	6.3
133.10150	2.5
135.08080	2.9
136.99977	68.0
145.10120	2.5
152.18637	2.7
155.01016	42.8
193.02704	3.8
219.67659	2.6
223.31253	2.7
237.22005	4.3
311.25732	29.1
435.56677	3.4
447.24921	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	447.2222
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03928	3.2
54.92346	1.6
55.01867	5.1
55.05510	15.3
57.03429	29.9
57.12023	1.9
61.02913	86.5
61.03212	4.2
63.77679	2.1
67.05495	35.0
69.03417	40.4
69.07050	16.9
71.01332	2.5
71.04974	10.8
73.02901	38.6
79.05479	21.5
81.03410	19.6
81.07037	100.0
83.04966	9.6
83.08594	5.0
85.02888	67.0
85.06520	4.9
91.03918	26.3
91.05446	36.4
92.08974	8.3
93.07023	20.5
95.04956	10.2
95.08591	23.0
96.15094	2.0
97.02866	50.9
97.06510	7.5
99.04437	13.0
99.08047	4.4
101.02364	12.2
105.03391	10.8
105.06367	3.7
105.07015	56.1
107.08573	16.8
109.02872	8.3
109.06485	7.7
109.10159	3.3
114.37658	2.2
117.07008	2.1
119.08572	47.0
121.10112	33.6
123.08080	4.3
123.11682	31.7
127.03876	20.9
127.07499	3.2
131.08571	4.5
133.10094	8.2
137.09589	2.6
137.13239	2.3
145.04936	4.8
145.10159	3.1
147.11662	84.5
157.10112	4.3
165.12721	39.4
183.06459	2.8
183.13817	9.6
193.12309	3.2
201.07697	2.2
229.14352	23.4
267.15845	25.8
285.16946	52.8
294.91565	2.1
327.17972	3.1
411.20071	11.1
429.21069	8.6
447.22125	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
54.81556	0.7
55.01858	1.8
57.03430	4.8
57.07073	1.0
61.02919	1.9
62.48183	0.7
69.03423	7.9
70.06573	1.7
71.04951	0.8
72.08127	1.3
73.02908	1.6
76.93043	0.7
79.05463	7.6
81.03391	5.8
85.02892	16.8
86.03223	1.4
86.06043	0.8
86.09697	3.8
91.05455	6.6
92.08719	1.9
92.09277	1.7
93.07017	0.9
95.04967	4.2
97.02876	7.1
98.97562	1.1
99.04449	1.0
103.05453	10.7
105.03370	6.5
105.07018	12.5
105.09156	4.0
106.09459	0.9
107.04940	78.5
107.08619	1.0
109.02851	1.7
113.05943	1.2
115.05488	4.1
117.06991	1.8
118.04121	0.9
119.04944	6.4
120.05694	6.0
121.02813	1.5
121.06490	1.4
123.04417	4.8
124.05189	1.2
127.03907	5.1
131.04889	4.2
133.06459	8.9
135.04404	1.7
135.08026	27.8
137.05928	3.5
139.03922	1.2
144.05688	1.0
145.04955	3.3
145.07596	3.5
147.04390	8.3
148.05196	7.2
149.04836	1.0
149.05956	4.9
151.03876	1.7
152.04668	1.2
153.05453	1.3
154.06229	1.8
161.06004	3.4
162.06697	1.4
163.03880	3.8
163.07503	56.9
165.05440	10.5
165.09103	1.6
167.07004	69.4
177.09036	0.8
179.07008	4.3
179.10538	1.1
180.07771	100.0
181.08588	1.9
193.08546	9.4
194.09300	1.0
195.10141	61.7
208.90524	0.8
213.11218	11.7
267.08871	1.2
269.13599	0.8
319.11548	1.1
345.05008	0.9
426.51495	1.0
447.18057	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1285
Annotation	Sissotrine
Peak:m/z	Relative Intensity
51.23427	0.1
53.03927	0.4
55.01860	0.4
55.05500	0.2
56.32940	0.1
57.03417	0.8
59.04980	0.1
61.02901	0.7
65.71924	0.1
67.01844	0.1
67.05480	0.5
68.64765	0.1
69.03075	0.1
69.03419	2.3
69.07046	0.3
71.04961	0.2
73.02895	0.2
79.05479	0.8
80.39228	0.1
81.03403	1.4
81.07056	1.0
83.04961	0.2
85.02893	3.9
85.06533	0.5
86.09688	0.7
91.05447	0.9
93.07044	0.8
95.04949	0.8
95.08580	0.7
97.02876	1.5
97.06511	0.2
99.04428	0.7
102.94693	0.1
105.03371	3.0
105.06991	0.7
106.03707	0.7
106.06531	0.2
107.04900	0.4
107.08562	0.7
109.02849	0.7
109.06506	0.4
109.10139	0.5
111.08069	0.1
117.07059	0.2
117.84533	0.1
119.04916	0.9
119.08567	0.8
121.02848	0.6
121.06531	0.2
121.10093	0.2
123.04411	0.2
124.01562	0.6
124.07536	0.2
125.05959	0.2
125.09630	0.1
127.03887	0.7
127.11212	0.1
130.06483	0.3
131.04872	0.1
131.08551	0.2
133.10130	0.2
135.08093	0.2
137.05963	0.1
137.09555	0.2
143.08543	0.4
145.02802	0.5
145.04965	0.1
145.10089	0.5
157.07547	0.3
157.10146	0.2
158.05978	0.2
159.11673	0.2
163.11131	0.1
164.07043	0.1
167.03355	3.2
171.11618	0.1
171.49004	0.1
185.04416	0.3
185.07173	0.1
187.03848	0.4
197.05948	0.2
203.10376	0.1
213.05385	0.2
225.05424	0.5
231.13727	0.2
242.05684	11.2
243.06352	0.1
249.07579	0.1
249.14908	0.2
267.08624	0.3
267.15948	0.2
270.05173	7.3
278.10135	0.7
285.07526	100.0
286.07837	0.5
316.16537	0.1
336.23651	0.1
418.45352	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	446.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02293	1.0
53.03926	4.7
54.81810	1.2
55.01841	1.3
55.05511	9.2
57.03417	3.8
59.46831	1.0
61.02888	1.5
67.05482	5.2
69.03423	11.2
69.07046	4.5
71.04974	2.5
73.02903	1.5
74.52843	1.1
79.05476	15.9
81.03404	13.1
81.07034	13.5
83.04967	19.5
85.02414	1.5
85.02888	19.3
85.06540	2.3
91.05458	11.5
92.08690	1.8
92.09222	4.1
93.07023	83.6
95.04961	8.3
95.08571	11.2
95.54242	1.0
97.02877	10.1
97.06486	9.9
99.04442	1.5
99.08095	1.6
105.03378	100.0
105.07017	41.0
107.04924	4.2
107.08578	66.8
109.02863	7.5
109.06506	5.0
109.10149	5.0
111.08067	2.0
114.35149	1.2
115.18221	1.0
117.06966	1.3
119.08554	25.7
121.06512	4.3
121.10120	41.7
123.04381	11.6
123.08056	9.2
125.05962	1.2
125.09579	8.5
127.03882	7.4
129.06935	2.0
131.08531	2.7
132.85966	1.2
133.06464	38.3
133.10098	25.2
135.08015	1.8
139.11182	2.1
142.07785	2.1
143.08563	15.3
145.10115	19.5
146.07236	1.1
147.04477	1.4
147.08031	5.1
147.11685	20.0
149.09602	31.3
151.07516	4.5
157.10091	14.0
159.11668	4.8
161.09602	15.2
161.13239	1.3
167.10632	23.3
170.10880	2.6
171.11714	1.4
173.09555	5.0
175.11168	1.4
175.14790	14.7
185.13214	52.1
187.14769	4.5
189.09096	6.6
189.12643	1.3
191.13480	1.3
203.14290	96.5
205.15739	1.9
213.12715	15.7
221.15327	6.6
231.13760	72.6
249.07536	10.7
249.14783	8.9
267.08612	13.0
267.15869	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01851	0.1
55.05500	0.4
57.03441	0.2
59.67097	0.2
69.03422	1.7
69.07068	0.2
71.04970	0.3
73.06538	0.2
74.09696	0.3
78.04684	0.2
79.05474	1.0
81.03405	1.9
81.07049	1.0
83.04964	0.3
85.02894	2.2
85.06528	6.1
86.09680	0.2
89.03899	5.6
91.05471	1.3
92.09048	0.3
93.07022	0.9
95.04935	1.3
95.08568	0.7
97.02877	0.8
97.06512	0.4
99.04424	0.3
99.08105	0.2
103.05446	1.4
105.03371	8.4
105.06994	0.8
106.04177	0.3
109.02853	1.0
109.06520	0.4
109.10101	0.2
110.06081	0.2
117.03360	26.9
119.08591	0.7
121.06517	0.3
123.04436	1.3
125.05996	0.2
127.03879	0.4
127.07504	0.3
131.04909	3.0
133.10117	0.3
134.03618	1.7
135.04390	1.7
141.45122	0.2
145.02831	78.9
145.08560	2.1
146.03090	0.3
147.11636	0.3
149.05962	11.7
161.09717	0.2
162.03101	0.3
163.03871	1.0
163.09627	2.1
175.07529	0.3
177.05437	100.0
177.78278	0.2
178.05753	0.3
186.05513	0.4
189.12831	0.2
195.06422	0.4
201.28508	0.2
213.12619	0.2
215.28398	0.2
231.13745	0.3
249.07515	0.2
249.14769	0.8
267.08600	1.2
293.10043	0.3
312.09711	0.2
321.09586	0.8
324.10461	0.2
339.10635	5.5
405.18237	0.2
446.45917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.0
53.03955	0.9
55.01866	1.4
57.03430	35.9
59.04988	7.3
59.88985	0.5
60.04511	2.3
61.02905	3.2
67.99001	0.6
69.03416	100.0
71.04971	1.0
73.02905	5.1
74.09695	1.0
75.04471	5.2
79.29503	0.5
81.03396	6.5
83.04949	0.8
85.02892	79.8
85.06539	2.5
87.04450	64.0
89.03912	3.1
91.03926	0.8
91.05466	2.2
92.08983	2.9
92.87020	0.5
95.04994	0.9
97.02871	70.4
99.04437	2.4
103.03922	0.7
103.05477	0.6
105.03397	3.8
107.04962	0.7
109.02863	3.1
111.66370	0.6
113.40939	0.6
115.03911	65.2
117.03354	17.6
123.04418	0.7
127.03897	8.0
131.04912	3.0
133.04947	67.4
134.03616	1.2
135.04460	0.8
135.08014	0.7
145.02835	61.6
145.04758	7.7
149.05952	7.5
150.07597	10.1
151.03900	0.7
159.08044	0.9
159.39320	0.6
163.06027	0.9
171.08034	2.4
177.05434	79.7
180.08682	0.8
187.06088	0.7
201.09183	0.8
211.06042	0.6
219.89067	0.6
223.06021	0.9
241.06987	0.7
259.07971	1.1
261.11212	0.6
277.09131	0.9
295.10138	0.9
295.72409	0.6
321.09729	1.5
339.10730	6.3
386.57797	0.6
436.38806	0.7
468.49115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.05498	1.8
57.03430	0.8
59.04992	27.1
61.02930	0.5
63.54449	0.3
63.58866	0.4
65.38354	0.3
66.39651	0.4
67.05476	2.0
67.05814	0.4
69.03419	9.2
69.07031	0.6
71.04974	0.5
75.95177	0.4
79.05472	10.0
79.55753	0.4
81.03393	8.9
81.07036	4.6
83.04956	2.5
83.08620	0.7
84.12558	0.4
85.02892	18.6
85.06534	22.5
86.99768	0.4
91.05458	1.6
93.07045	0.5
95.04942	4.6
95.08578	0.9
97.02879	5.5
99.04404	1.3
101.06004	26.8
103.03914	3.7
105.03377	100.0
105.06976	1.5
106.03702	1.0
107.08626	0.5
109.02871	4.9
109.06486	3.9
119.08555	0.5
123.04413	17.2
127.03889	4.7
127.07536	21.4
127.11185	0.5
143.08661	0.4
145.05013	0.6
145.08577	22.3
159.11699	0.6
163.09631	15.6
231.06497	0.9
249.07484	5.1
267.08569	18.3
269.08997	0.4
279.26678	0.5
309.66122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56688	1.1
53.03937	1.8
55.05502	35.2
57.07067	10.7
62.39898	1.0
64.68518	1.0
64.69498	1.0
67.05141	2.7
67.05491	69.1
67.05853	2.8
69.07050	49.3
71.08601	2.2
79.05478	9.1
81.07037	93.7
83.08599	36.2
85.06517	1.8
87.09653	1.1
91.05472	1.8
93.07040	13.8
95.08583	100.0
97.10145	29.1
105.07034	2.5
107.08560	8.8
108.72697	1.3
109.10143	45.2
109.10857	2.2
111.11712	11.8
121.10101	7.9
123.11659	17.8
125.13274	2.7
135.11679	8.5
137.13257	5.7
145.66437	1.2
149.13248	4.7
151.14784	2.0
165.16327	1.4
179.18039	1.4
181.03976	1.2
274.44949	1.5
356.79401	1.5
373.38281	26.6
391.39316	14.3
399.10843	1.2
400.96597	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3673
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
55.01859	1.1
55.05502	14.3
57.07063	5.1
67.05489	11.8
69.03437	1.2
69.07050	24.2
70.06588	0.7
71.04993	1.4
75.87778	0.7
79.05468	11.7
81.07041	24.6
83.04950	1.4
83.08591	9.3
85.06525	1.6
86.44489	0.9
91.05463	10.5
92.08870	3.9
93.07024	39.1
95.04942	1.8
95.08585	44.2
97.06522	6.2
97.10137	13.5
101.05945	0.9
105.06317	0.9
105.07005	23.6
107.08575	68.6
109.06535	1.7
109.10138	25.3
111.08083	1.7
111.11704	1.3
113.09617	3.2
117.07021	2.0
119.08552	29.1
121.06452	0.9
121.10114	43.3
123.08046	1.9
123.11697	10.3
125.09596	4.1
131.08549	7.6
133.10103	26.6
135.11658	35.2
137.13210	1.8
139.11162	9.6
143.08531	4.2
145.10104	20.0
147.11662	19.2
149.09651	1.7
149.13243	9.3
151.14793	0.8
153.12733	8.3
157.10089	3.8
159.11668	26.7
161.13228	16.1
163.14790	37.8
170.99039	0.8
171.11636	5.9
173.13220	13.7
175.14772	10.0
177.12807	0.9
177.16370	4.6
179.14267	3.4
181.15826	24.7
183.11717	1.5
183.29491	0.8
185.13203	5.1
187.14755	18.9
189.16341	6.7
191.14355	1.3
191.17862	7.5
197.13249	4.0
199.14850	1.9
201.16367	37.0
203.17928	37.9
205.15828	1.0
209.15276	1.0
211.14868	1.4
213.16306	6.5
215.17935	5.4
219.17401	41.6
225.16357	3.3
227.17992	9.3
229.19406	6.8
237.18384	12.9
239.17897	3.1
241.19498	1.8
243.20879	0.9
247.20540	4.9
253.19522	1.8
257.22687	1.1
267.20929	1.9
281.22345	1.0
283.24063	7.0
318.64685	0.8
391.33469	9.5
409.34561	100.0
427.30356	1.5
427.35648	29.1
444.40500	1.1
445.36496	26.0
445.42136	0.9
446.36411	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3674
Annotation	4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
51.73160	6.8
55.05502	14.8
57.07059	37.6
64.89478	8.0
67.05485	12.3
69.07046	48.9
71.08603	20.6
79.05475	35.9
79.62423	10.5
81.07042	93.7
83.08591	17.6
84.44804	7.9
91.05433	9.8
92.09005	70.5
93.07018	36.9
95.08591	74.2
97.10147	10.5
105.07014	46.3
107.08558	32.7
109.10141	35.7
118.74577	9.3
119.08553	42.3
121.10197	10.3
123.11695	10.0
131.08542	20.0
133.10081	13.9
145.10060	67.7
147.11667	41.7
149.13234	12.4
157.10181	12.0
159.11595	16.4
161.13319	14.3
189.08830	16.8
227.17874	10.5
268.33209	10.2
293.19928	11.8
381.35052	55.0
399.36136	44.4
409.34659	16.4
427.35873	69.6
445.32266	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	445.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28320	2.2
52.52217	2.0
53.80853	2.1
55.01859	2.2
55.05504	24.2
57.07063	27.0
62.88483	2.0
67.05487	17.5
69.07056	40.7
71.08610	16.3
79.05465	6.0
79.56264	2.4
81.07038	24.4
83.08607	19.9
85.10177	6.5
91.05439	3.3
92.08824	10.8
93.07008	16.1
95.04901	4.2
95.08588	22.8
97.10135	15.2
105.07014	10.0
107.07944	2.5
107.08591	14.4
109.06488	24.8
109.10149	6.1
111.08032	3.6
111.11711	2.8
119.08558	3.5
121.10100	6.0
123.08037	16.4
123.11625	3.9
125.05945	18.0
133.06448	16.0
133.10172	3.5
135.08034	10.8
137.05954	78.8
139.07559	26.4
151.07513	37.9
161.05887	15.3
165.09149	19.5
175.11169	3.8
177.09233	2.9
179.06987	100.0
185.41211	2.6
221.11450	2.9
385.34671	4.4
403.35843	3.5
417.37012	12.4
427.35333	3.5
445.36847	49.8
445.42667	5.6
469.93967	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15411	1.5
52.24249	1.6
55.01858	3.2
55.05502	15.2
55.73727	1.5
56.75546	1.6
57.07069	16.8
63.45893	1.5
64.30501	1.5
67.05480	2.9
68.28502	1.5
69.07063	16.4
71.08614	8.9
79.05466	11.5
81.07047	14.3
83.08591	7.6
85.10168	2.2
91.05450	10.9
92.08817	2.1
93.07007	7.7
95.08567	4.5
97.06483	2.4
97.10130	2.6
105.07005	13.2
107.08575	9.8
109.06505	19.8
119.08589	2.8
123.08036	7.8
125.05976	30.2
133.06462	21.8
135.08040	10.8
137.05956	100.0
137.09587	2.2
139.07495	4.4
143.08594	2.1
149.09630	2.3
151.07532	38.5
151.08678	3.6
161.05940	21.9
163.07610	3.1
165.09059	3.7
175.11177	3.5
179.07007	85.0
189.12794	2.4
191.10655	2.1
275.96619	2.1
399.36163	4.0
417.37094	11.9
445.30396	2.4
445.36603	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	445.3676
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
55.05502	33.3
57.07071	33.9
64.33440	2.9
67.05476	19.0
69.07051	51.9
71.08600	23.1
79.05462	14.9
81.07035	42.4
83.08590	20.3
85.10168	7.6
89.11098	2.6
91.05459	12.2
92.46996	2.7
93.07021	35.8
95.08585	48.1
97.10131	14.3
105.06994	15.6
107.08568	44.5
109.06509	3.5
109.10137	28.4
111.08069	2.8
111.11708	4.0
119.08574	6.6
121.10113	17.2
123.11700	4.8
135.08043	5.3
135.11626	7.5
137.09613	5.0
139.07532	20.5
142.07832	3.9
143.08521	5.0
145.10123	17.1
147.07973	3.3
147.11630	4.5
149.09637	5.2
149.13263	6.0
149.35118	3.0
157.10104	6.5
158.07091	3.5
159.11751	4.1
161.09566	7.0
163.11147	3.0
165.05354	4.1
165.09073	35.0
173.09604	25.6
175.11143	26.5
187.11214	4.3
191.10605	22.8
219.10085	4.0
247.24297	4.0
269.18973	4.2
287.19882	12.3
394.09769	3.2
409.34421	14.1
427.35657	100.0
445.36649	15.2
445.42068	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	445.367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92607	0.6
54.36274	0.8
55.05499	16.1
57.07052	6.3
59.06120	1.0
59.41407	0.6
60.05626	1.6
61.51122	0.7
62.57600	0.7
67.05490	8.8
69.07051	25.2
71.08608	1.8
79.05468	1.6
81.07033	8.6
83.04948	1.2
83.08607	10.3
91.05459	1.5
92.08744	2.8
93.07023	3.9
95.08566	9.1
97.10134	4.6
99.56160	0.8
105.07002	3.6
106.20135	0.7
107.08578	6.4
109.06548	0.8
109.10144	8.5
111.11694	1.1
119.08548	4.6
121.10110	1.7
122.07290	1.6
123.07983	0.9
131.08554	1.3
133.10063	1.1
135.08044	4.5
135.11690	1.8
137.09576	13.2
139.07518	1.1
144.56866	0.7
145.10091	1.3
149.09595	13.4
149.61160	0.8
151.07524	1.8
159.08157	0.8
159.11678	3.1
163.11113	10.1
163.12076	0.6
165.09068	100.0
169.26218	0.8
173.09578	1.3
175.11150	3.2
176.08270	0.9
177.09004	6.6
177.12640	1.3
187.11185	1.0
189.09085	1.1
189.12746	1.4
190.09894	1.0
191.10609	4.1
199.11130	1.9
203.10643	4.3
203.14253	1.3
205.12221	6.9
219.13730	1.5
294.45584	0.8
427.35696	6.5
445.36841	11.2
445.42508	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3671
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
51.44046	1.1
54.81779	1.2
55.01872	1.4
55.05507	12.5
57.07075	5.4
60.41692	1.1
64.99263	1.1
67.05484	12.5
69.07055	32.1
69.07388	1.5
71.08646	1.6
75.54678	1.2
79.05479	12.1
81.07040	33.2
81.07475	1.9
83.04994	1.5
83.08591	10.3
85.06513	1.5
86.60589	1.2
89.03574	1.2
91.05435	10.1
92.08714	4.3
92.09306	4.7
93.07025	40.0
93.07560	1.7
95.08586	51.4
97.06522	1.8
97.10161	13.5
99.08104	1.5
105.07001	25.0
107.08571	70.3
109.10139	26.7
119.08565	29.8
121.10131	43.8
121.38016	1.4
123.11726	8.3
125.09617	5.1
131.08562	7.2
133.10094	30.6
135.11668	40.2
137.13284	2.3
139.11148	11.3
143.08597	2.8
145.10097	21.7
146.66852	1.5
147.11665	23.3
149.09537	1.4
149.13292	8.6
153.12764	6.2
157.10133	5.9
159.11664	30.6
159.12712	1.4
161.13197	12.9
163.11168	2.7
163.14803	38.5
171.11739	4.5
173.13242	10.9
175.14862	7.4
177.16391	5.6
181.15839	24.9
181.32205	1.2
183.11751	2.6
184.08609	1.3
185.13298	2.7
187.14752	16.2
189.16437	2.7
191.17993	7.9
199.14789	2.1
201.16335	43.0
203.17896	32.1
211.14877	1.4
212.31071	1.3
213.16408	2.7
215.18082	5.3
219.17412	50.1
227.17897	9.1
229.19571	7.0
237.18443	14.6
241.19507	1.7
246.56082	1.4
247.20569	1.5
253.19478	2.6
281.22562	1.7
283.24194	5.2
318.98184	1.3
391.33490	12.0
409.34579	100.0
427.35687	25.9
445.36441	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2946
Annotation	Foetidinol
Peak:m/z	Relative Intensity
51.44527	0.5
53.00284	0.9
55.01863	0.7
55.05492	3.3
57.03434	4.8
57.07064	13.5
64.99740	1.1
67.05476	2.9
67.55106	0.6
69.07053	32.4
71.08614	1.2
79.05463	2.5
80.91027	0.6
81.07033	6.3
83.01327	4.4
83.08590	2.8
85.06522	1.4
91.05443	2.6
93.07023	7.2
95.08566	5.5
97.10128	1.3
105.06991	1.3
107.08564	8.5
109.02896	0.8
109.06508	4.4
109.10133	3.7
111.11694	0.7
119.08530	1.5
120.56123	0.7
121.06479	1.1
121.10084	1.4
123.11662	9.0
127.03889	1.4
131.08569	1.2
132.83560	0.6
133.10085	1.1
135.08049	5.9
135.11684	7.4
137.05943	4.8
139.03864	1.4
139.07475	1.2
139.27545	0.6
144.66156	0.7
145.10120	4.6
149.05966	2.4
149.09589	2.5
149.13133	0.7
151.07503	2.5
153.05437	3.6
155.08572	0.7
159.08070	0.6
162.06754	1.3
163.07489	7.4
163.11119	3.8
165.05440	100.0
165.09091	4.4
173.09584	5.5
175.11049	0.7
176.08243	2.7
177.05508	1.0
177.09087	17.5
179.06961	0.7
190.06253	1.1
191.10637	10.7
191.25558	0.7
201.09111	6.3
204.07748	1.1
217.08569	0.8
219.10129	80.1
221.11691	34.5
221.13463	0.8
225.11157	1.2
235.09599	0.8
237.11166	73.2
287.16336	28.0
305.17422	8.6
341.21091	1.0
343.22620	2.7
359.22083	21.5
371.22226	3.7
395.56201	0.7
427.35193	1.0
445.42059	0.9
456.80905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.7
53.58673	1.6
54.81251	1.5
55.01860	2.0
57.03431	56.5
59.04958	1.6
61.02922	18.1
64.08892	1.4
69.03414	42.9
71.01343	6.7
71.04973	2.0
73.02901	100.0
79.05506	1.4
81.03403	5.8
85.02891	83.4
85.06542	2.5
87.04446	3.7
91.03926	2.9
92.08978	6.1
97.02868	58.0
97.03493	2.1
98.65244	1.6
99.04440	2.2
105.03364	2.5
107.04937	2.7
109.02859	7.8
111.04459	1.7
115.03912	37.9
119.04902	2.0
127.03896	18.4
133.04973	12.4
134.06001	6.4
145.02881	3.0
145.04950	25.4
147.04414	11.0
158.05978	2.7
163.03897	12.6
163.05977	12.7
223.06018	2.1
241.07016	6.6
259.08151	2.8
265.17697	1.9
266.10138	20.7
295.10242	9.4
296.11273	2.4
320.66394	1.5
340.56079	1.8
347.16342	1.6
428.15546	7.1
445.19864	2.9
447.09302	2.1
468.03809	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2052
Annotation	3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE
Peak:m/z	Relative Intensity
55.01865	0.9
55.05502	1.0
56.96561	0.8
57.03421	1.4
57.07065	2.3
61.02928	0.7
62.55925	0.5
64.15356	0.6
65.03923	0.9
67.05489	3.4
69.03415	7.3
69.07056	0.9
70.06580	5.7
71.04977	1.1
79.05458	1.4
81.03389	1.4
81.07036	2.3
83.04963	2.5
85.02890	8.7
87.04451	1.0
91.05447	2.7
92.08955	0.9
92.83029	0.5
93.07037	4.4
95.04935	5.3
95.08604	1.3
97.02877	2.7
97.06518	1.2
98.97550	0.8
99.04424	1.3
103.05465	0.7
105.03372	2.4
105.06998	7.8
107.08595	3.3
108.70976	0.6
109.06509	3.8
111.04443	3.4
113.05969	0.8
114.36831	0.6
115.90919	0.5
117.03296	0.8
117.07002	1.3
119.04927	0.8
119.08562	7.7
120.08147	0.6
121.02842	1.4
121.06505	4.6
121.10124	1.0
123.08070	3.0
124.89747	0.6
127.03903	2.7
129.05469	0.5
129.07034	0.8
131.08540	4.8
133.06456	1.4
133.10091	2.4
135.08054	6.9
139.03992	0.7
141.06993	0.7
142.07813	0.8
143.06966	0.8
143.08585	1.1
145.02795	0.7
145.05023	1.1
145.06505	1.0
145.10118	4.9
147.04442	0.9
147.08031	4.5
147.11678	0.9
149.05959	1.0
149.09628	0.7
156.09302	0.7
157.10115	1.4
158.07219	1.1
159.07982	4.2
159.11670	4.4
161.09586	4.1
165.09122	3.0
167.07022	0.8
171.07962	0.8
172.08858	2.4
173.09587	2.4
173.13272	3.3
175.07477	5.5
175.11183	3.1
177.05568	1.0
183.11620	0.7
185.09685	0.9
186.10445	0.7
187.11211	3.1
189.09155	2.4
189.12814	0.8
193.08572	2.8
196.08900	0.7
199.11163	1.3
201.12695	2.3
203.10654	1.4
211.11179	0.8
217.12137	2.6
229.12228	2.6
247.13304	7.6
253.14075	0.7
262.18918	0.6
265.14282	25.6
283.15366	0.7
422.80347	0.7
445.20447	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	444.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97278	0.3
55.05500	0.3
56.49462	0.2
57.07056	0.6
67.05488	0.6
69.07053	6.6
71.02594	0.2
72.25150	0.2
73.06545	1.5
74.25375	0.2
77.78546	0.3
79.05475	0.6
81.07040	1.2
83.04932	0.5
84.08115	0.4
86.09688	100.0
91.05434	0.4
92.08670	1.3
92.09298	1.5
93.07023	0.4
95.08575	1.6
107.08559	0.5
112.07584	0.5
118.08608	0.4
121.10076	0.3
133.10074	0.3
141.40379	0.3
142.56868	0.3
145.10056	0.4
147.57066	0.3
150.11481	0.3
168.13750	0.5
186.14850	56.1
214.14331	11.1
299.23294	0.3
314.19571	7.1
329.55646	0.3
399.28445	18.4
424.83401	0.3
427.27829	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	444.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01870	2.9
57.03429	4.8
59.04983	0.8
60.84054	0.3
61.02915	9.9
64.57028	0.3
66.67753	0.3
69.03416	17.4
71.04973	2.5
73.02908	3.3
81.03395	7.4
83.04953	1.6
83.26939	0.4
85.02891	100.0
86.09688	0.7
87.04451	3.2
91.03938	4.3
91.05452	0.4
92.08876	1.8
95.04968	0.5
97.02872	22.4
99.04444	5.1
101.02339	0.5
103.03905	0.6
105.03378	4.2
109.02861	8.2
111.04430	0.6
115.03904	0.6
127.03890	19.2
131.04889	0.4
140.53242	0.4
145.04941	27.9
147.04404	0.7
163.05992	13.1
177.05443	0.9
179.17398	0.4
235.12262	0.4
265.16507	1.6
325.11304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98506	0.5
53.03924	0.8
55.01855	1.0
55.05494	1.3
57.07066	1.1
57.26936	0.5
61.02905	1.4
66.67707	0.6
67.05479	2.9
69.03418	12.9
71.05009	0.9
79.05466	3.5
81.03394	2.7
81.07022	3.1
81.35746	0.7
83.04967	13.2
83.08566	1.0
85.02882	9.0
85.06529	3.1
91.05463	5.9
92.09143	2.7
93.03383	0.8
93.07008	10.2
95.04954	3.4
95.08584	0.8
97.02864	7.2
97.06528	1.0
97.31412	0.6
99.04419	0.9
103.05482	0.8
105.03396	3.6
105.06377	0.7
105.06973	5.6
107.04944	0.8
107.08572	14.1
109.02861	15.3
109.06492	9.7
109.10145	1.5
111.04419	5.9
111.08088	1.2
113.05961	1.6
117.06981	3.8
119.04906	0.7
119.08549	12.4
121.02831	1.5
121.06479	25.9
121.10118	4.1
123.04356	1.3
123.08011	3.0
124.03938	0.8
125.05922	1.1
128.06197	0.8
129.06981	1.0
131.08528	8.5
133.06471	0.9
133.10106	7.6
135.08015	36.4
137.05957	4.6
137.09674	2.3
143.08543	3.9
144.09352	3.4
145.06430	4.5
145.10080	8.5
147.04453	2.3
147.08009	1.2
149.05914	1.5
149.09602	12.8
150.10373	3.1
151.07536	1.0
151.11143	1.1
153.09088	3.2
155.08525	1.0
157.10114	1.3
158.10902	6.7
159.07977	6.9
159.11650	18.8
161.09584	1.5
163.07503	16.4
163.11151	3.5
168.09288	1.1
169.10141	0.8
170.10910	2.3
171.08025	1.4
171.11574	0.8
172.08774	6.0
173.09589	16.4
173.11794	1.4
173.13225	33.2
177.12683	1.2
183.11665	5.1
185.09520	0.9
185.13246	2.7
186.10338	13.9
187.07538	1.3
187.11128	54.1
191.06964	10.7
193.10179	0.7
196.08836	3.2
201.12706	42.0
202.13002	0.7
205.12198	10.7
209.07907	0.8
211.11168	7.0
219.13782	8.1
229.12190	41.3
230.12567	0.7
247.13229	100.0
248.13623	0.8
265.14282	13.5
315.94098	0.7
323.85095	0.7
361.64441	0.7
367.56381	0.7
444.20956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18224	0.3
53.03937	2.1
55.01859	2.9
57.03428	7.5
57.07068	0.7
61.02916	11.4
67.05511	0.7
69.03416	21.4
71.01347	0.4
71.04974	3.6
73.02895	4.3
78.28753	0.4
81.03394	8.4
82.44981	0.4
82.47838	0.4
83.04917	0.5
85.02888	100.0
85.06528	17.6
85.07013	0.8
87.04449	2.8
91.03931	5.6
91.05495	0.5
93.07041	0.4
97.02866	27.0
97.06506	0.6
99.04430	5.3
103.03919	1.9
103.07613	0.5
108.16056	0.4
109.02861	8.6
115.03938	0.7
117.05462	0.4
127.03893	23.9
137.09544	0.4
140.04715	0.4
145.04939	30.7
163.05991	13.2
187.16306	0.4
229.10649	6.5
247.11809	0.6
289.09085	0.5
325.11172	3.2
360.20779	0.5
436.53079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
54.95012	0.5
55.01869	1.3
55.05505	1.4
57.03429	3.6
57.07070	100.0
59.79111	0.5
61.02687	0.5
61.02922	7.9
61.35442	0.5
64.04919	0.6
69.03420	30.1
70.06583	2.5
71.04977	1.3
71.46474	0.6
72.08131	0.5
73.02883	0.6
74.06065	2.2
77.44932	0.6
81.03406	6.1
83.04974	2.2
83.08580	0.8
85.02893	31.2
85.06535	34.3
86.09695	1.1
87.04449	1.4
89.06033	0.9
92.09080	2.6
95.04979	0.8
97.02876	16.1
99.04442	5.1
101.05974	1.0
103.07566	3.0
107.04942	2.7
109.02879	4.5
111.04452	0.9
115.03876	0.8
116.07038	0.7
125.05983	0.8
127.03887	24.7
129.05511	0.8
135.04411	1.0
145.02791	0.7
145.04929	7.1
153.05463	0.9
163.03900	5.7
169.08560	1.5
181.08582	0.8
183.08699	0.7
211.09579	2.4
229.10709	4.2
234.07649	0.8
247.11725	62.6
444.18536	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	444.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51735	0.5
52.57964	0.6
53.03931	2.5
54.81693	0.8
55.01856	1.6
55.05499	1.1
56.34956	0.6
56.64319	0.6
57.03431	6.4
57.07066	100.0
57.20563	0.6
59.04989	1.0
61.02914	9.1
63.97472	0.6
69.03413	44.7
69.07063	1.4
70.06583	1.5
71.04963	2.9
73.02892	3.1
81.03397	8.1
81.07058	0.9
83.01304	1.1
83.04953	1.5
85.02887	50.6
85.06528	33.4
86.09684	1.6
87.04446	4.4
87.21082	0.8
91.03922	1.1
92.08876	3.8
93.07059	0.8
95.08541	0.8
97.02867	28.2
97.06483	0.8
99.04425	4.9
102.73936	0.7
103.07513	2.5
105.03331	0.8
109.02864	7.7
112.89452	0.7
115.03902	4.0
115.07548	0.8
127.03889	35.1
133.04974	1.4
145.04921	14.1
147.09137	4.0
169.08591	1.3
174.80415	0.8
179.19910	0.7
185.16489	0.8
211.09628	4.3
221.45956	0.9
229.10628	8.8
247.11719	63.8
282.15323	2.8
303.48526	0.7
378.33569	0.7
434.41873	0.8
444.19604	5.1
445.19208	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83736	0.2
53.03942	3.6
55.01863	0.5
55.05494	0.6
57.03410	1.3
57.63234	0.3
61.02908	0.5
67.05476	0.6
69.03412	7.2
69.07043	2.5
70.53806	0.3
71.04973	1.6
73.29947	0.3
79.05476	6.0
81.03397	13.1
81.07041	2.6
83.04967	1.7
85.02891	11.3
85.06516	0.6
91.05450	1.3
92.08912	1.3
93.07021	1.6
95.04945	5.5
95.08553	1.3
97.02861	7.3
97.06500	4.4
99.04443	2.9
101.05980	0.4
103.05440	1.3
105.03371	100.0
105.07010	1.4
106.03719	0.6
107.08581	2.1
109.02858	7.7
109.06492	0.7
109.10153	0.5
111.08024	0.4
117.03363	0.5
119.04925	0.6
119.08597	1.3
121.02823	0.7
121.06478	0.5
121.10113	1.2
123.04401	13.3
123.08039	1.1
125.05975	1.2
125.09615	0.5
127.03890	6.1
131.04881	4.7
131.08539	0.7
133.06499	0.3
133.10081	0.5
135.08047	1.7
137.05983	0.8
143.07031	1.4
143.08575	0.7
145.02821	2.6
145.04933	0.8
145.10124	1.5
147.04396	2.6
149.05960	0.7
149.09619	0.4
159.00490	0.7
159.11716	0.4
160.00826	0.5
161.08197	0.4
161.09657	1.3
162.05440	0.6
163.07513	1.3
171.11659	0.4
177.05432	3.8
187.11238	0.4
189.09145	0.4
201.12781	0.5
229.12239	0.5
231.06519	1.5
247.13249	1.4
247.17052	0.4
249.07512	11.1
265.14163	0.4
267.08566	24.5
311.86838	0.3
350.22757	0.3
426.08685	6.4
426.13959	0.6
432.59198	0.4
443.16837	0.6
443.25299	0.7
444.09698	1.6
444.16937	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	444.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	27.0
55.01862	6.2
57.03429	11.1
58.98779	0.7
61.02914	8.0
67.01850	3.7
67.05467	1.1
69.03414	34.1
70.06570	0.9
71.04977	30.0
71.30689	0.7
72.08106	0.7
73.02891	4.6
78.03418	1.0
81.03396	38.9
83.01328	1.2
84.08124	1.4
85.02885	58.9
85.06521	3.4
86.03996	0.7
87.04440	1.6
92.09059	3.9
97.02865	48.1
99.04432	22.8
100.16866	0.8
101.02361	1.8
103.03926	1.2
103.07556	3.9
106.02885	3.2
108.04502	1.0
109.02859	92.3
110.07092	0.8
111.04412	1.3
113.05965	5.4
115.03911	4.5
116.98569	0.9
117.05467	0.8
117.08038	0.8
121.06462	1.3
124.03911	2.8
127.03886	100.0
131.07011	6.6
136.32222	0.8
137.05925	3.5
138.05484	1.1
141.05376	2.6
145.04936	10.9
150.07716	18.7
153.05470	1.8
163.05963	1.0
166.04967	11.8
169.04927	7.6
173.08075	0.9
180.08606	1.0
181.08522	0.9
187.05971	51.6
222.06931	0.9
229.07030	3.9
247.08060	28.4
247.11859	3.3
265.09045	6.2
268.08145	1.3
275.11194	1.1
341.06323	1.0
391.15750	1.0
444.17435	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	444.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01860	1.9
57.03430	4.7
58.59018	0.3
61.02912	6.0
69.03415	26.3
71.04969	7.0
73.02888	3.3
81.03398	17.5
82.07161	0.5
83.01318	0.7
84.04477	2.4
85.02887	52.9
85.06523	3.8
87.04436	2.6
89.06016	1.1
91.03912	0.9
92.09138	0.9
97.02868	100.0
99.04426	12.4
101.05988	0.7
102.05515	0.5
103.03944	1.8
103.07535	0.6
103.74628	0.5
106.06529	0.8
107.04937	0.7
109.02863	20.2
113.20551	0.5
115.03907	1.0
120.08096	1.0
121.02803	0.5
127.03889	36.7
130.04942	0.7
134.81306	0.5
139.03871	0.8
141.05453	1.0
145.04933	36.0
163.05998	1.1
169.04982	0.7
171.56558	0.5
173.08128	0.6
187.05995	2.8
188.49348	0.5
205.07048	31.1
229.10764	0.5
247.08098	3.0
247.11742	1.1
270.10349	0.5
281.11191	2.2
282.11591	3.1
302.48611	0.6
329.49655	0.5
391.11584	0.7
443.16711	0.9
444.16824	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	444.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01859	1.8
55.05501	4.4
56.05840	0.4
57.03420	2.1
57.07053	0.3
61.02898	2.7
67.01849	28.0
69.03409	20.7
70.06573	0.6
71.04978	7.6
73.02880	0.6
73.35146	0.4
74.48844	0.5
81.03393	20.7
83.08595	10.6
83.28170	0.4
84.08923	1.7
85.02886	17.6
85.06500	0.9
86.03217	0.7
87.04478	0.6
91.03912	0.6
92.08977	1.6
97.02864	26.3
97.03493	0.9
98.97579	0.5
99.04424	13.8
101.02377	0.6
101.09623	1.7
103.07554	2.0
104.48452	0.4
107.18656	0.4
109.02856	32.1
111.04391	0.5
115.03911	2.2
119.10623	0.5
127.03884	100.0
139.03885	5.0
141.05399	0.5
145.04936	2.9
147.04358	0.9
153.90247	0.5
163.03880	1.8
164.13507	0.5
166.05028	0.5
169.04939	4.1
180.08647	0.5
181.08566	1.7
187.05965	8.2
190.36250	0.4
211.09686	0.6
229.07031	0.9
247.08063	25.6
282.09793	0.4
323.12756	0.4
335.56183	0.4
357.09341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.3
54.06557	0.9
55.01865	25.8
55.05514	1.7
57.03429	12.4
61.02916	6.2
64.34064	0.7
67.01858	1.9
69.03419	46.1
70.06575	1.3
70.52916	0.7
71.04973	11.7
72.04516	0.8
73.02902	11.3
74.42838	1.0
81.03403	57.8
82.03726	0.9
83.01344	1.4
83.04996	1.1
83.08611	4.6
85.02892	37.4
85.06515	0.8
87.04457	1.1
92.09135	3.5
95.04961	1.0
97.02876	79.2
98.06068	1.1
99.04442	49.8
101.09666	1.2
101.11572	1.0
103.03946	3.6
108.04487	7.9
109.02864	70.5
109.41652	0.8
111.04438	2.0
115.03915	4.8
126.05447	1.5
127.03896	100.0
137.05956	1.0
139.03900	9.8
145.04971	14.3
169.04906	6.5
187.05988	36.9
197.64151	0.9
204.08607	1.0
205.07048	63.0
222.09677	2.1
271.55099	0.8
313.09344	3.1
468.89301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.05507	16.6
57.03422	2.0
57.07058	10.9
67.05480	28.6
69.07053	30.6
71.04987	2.4
71.08614	4.3
79.05466	15.1
81.07033	60.3
81.07478	3.4
83.04961	2.5
83.08605	15.6
83.62579	1.8
85.06507	2.0
88.53905	1.8
91.05461	12.3
92.09187	8.4
93.07013	37.9
95.04949	2.3
95.08577	100.0
97.10146	10.1
105.07012	35.3
107.08564	67.9
109.10138	71.1
117.03414	2.9
119.08557	38.9
121.10110	63.4
123.11680	21.3
125.09627	7.3
131.08533	2.9
133.10101	29.8
135.11659	35.3
135.76532	1.8
137.05962	7.4
137.13268	3.1
139.11153	4.4
143.08562	3.9
145.02824	9.4
145.10118	9.7
147.07922	2.4
147.11652	30.7
147.35112	1.9
149.13220	18.7
157.10136	7.9
159.11687	7.6
161.13208	25.1
161.24281	1.8
163.14774	19.9
163.47330	2.2
169.10010	3.3
171.11621	3.2
173.13266	4.3
175.14777	11.8
177.05408	17.3
177.16388	12.9
183.11676	3.6
185.13165	2.3
187.14836	8.2
189.16408	11.4
191.17880	59.3
201.16325	2.2
203.17905	17.4
205.19485	3.5
207.17247	3.0
215.17923	3.9
217.19476	22.4
221.18962	3.2
225.16394	2.7
229.19542	2.1
229.44276	1.9
235.20540	16.5
245.22433	2.5
384.24484	2.0
395.36917	2.2
407.32959	2.8
415.32001	8.9
425.38440	16.1
443.33292	13.6
443.38828	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	443.388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05262	1.8
55.05497	17.4
57.07059	7.8
67.05492	47.4
69.07054	34.3
74.57699	1.7
79.05476	19.6
81.06592	4.0
81.07038	70.8
83.08596	15.1
85.06536	2.4
90.82581	1.8
91.05459	20.3
92.08577	2.0
92.09122	9.7
93.07019	42.0
95.04955	2.2
95.08002	4.2
95.08586	98.1
97.06490	4.0
97.10139	9.4
105.07021	33.6
107.08576	68.7
109.06493	3.1
109.10142	100.0
111.05408	1.9
111.08032	2.6
111.11702	3.4
113.10429	2.0
116.04987	2.5
117.07011	2.9
119.08551	38.9
121.06468	2.1
121.10131	51.1
123.11691	26.5
125.09641	1.8
131.08537	2.7
133.10110	30.6
135.08069	6.8
135.11682	35.3
137.13242	10.5
145.10120	15.9
147.11652	23.9
149.13220	21.1
157.10081	1.9
159.11661	13.5
159.46902	2.0
161.13202	21.7
163.14761	18.2
163.71132	1.9
173.13190	4.0
175.14803	10.7
177.16460	4.2
179.14194	3.6
187.14777	8.9
189.16408	16.0
191.17891	19.6
201.16388	4.1
203.14342	4.0
203.17899	10.8
207.17256	3.2
215.18037	2.4
217.19440	8.4
221.18930	2.9
229.19559	3.1
279.23184	7.6
315.19824	2.5
379.33859	2.9
389.37598	7.3
425.33899	16.4
425.37985	11.8
430.87100	2.3
434.52921	2.2
443.34769	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	443.3516
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
52.39218	1.3
54.82388	2.0
55.05499	7.5
57.07078	1.9
64.56967	1.9
67.05505	9.9
69.03392	2.3
69.07053	12.4
73.69742	1.6
79.05479	2.8
81.07031	21.5
82.24796	1.8
83.04976	2.5
83.08605	4.6
91.05449	8.1
92.08665	5.7
92.09289	8.1
93.07037	14.3
95.04967	2.5
95.08579	22.0
97.06511	2.3
105.06999	14.2
107.08571	13.8
109.10138	14.2
111.08029	2.2
119.08551	18.4
121.06516	2.4
121.10100	17.5
123.11696	3.3
127.14075	1.8
131.08543	3.1
133.10115	10.7
134.07280	3.2
135.08058	8.1
135.11699	10.5
137.09586	2.2
145.10164	4.3
147.11697	12.3
149.09613	4.5
149.13260	3.0
159.11691	3.9
161.09610	3.2
161.13261	3.6
165.09160	9.2
171.11687	3.6
173.13216	3.5
175.11148	3.8
175.14792	4.4
177.16353	2.8
189.12747	2.4
189.16389	11.2
199.14809	2.6
203.17883	3.7
231.17444	4.4
235.16930	3.4
278.20538	2.2
289.56750	1.9
314.56439	2.1
407.32877	7.7
425.34119	15.9
443.35138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3517
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03925	1.8
55.01849	2.5
55.05500	18.4
55.99540	1.6
57.07055	3.4
60.32575	1.4
67.05492	30.1
68.29143	1.7
69.07053	21.5
76.59555	1.6
79.05467	18.0
81.07039	43.4
81.32053	1.8
83.04961	7.3
83.08599	11.6
91.05451	17.1
92.08765	9.5
93.07025	43.5
95.04910	3.5
95.08588	67.6
97.06531	3.4
97.10094	2.8
101.05961	2.2
105.07016	38.1
107.08577	71.9
109.06487	10.9
109.10134	39.1
111.08035	4.3
117.06981	2.6
119.08561	58.7
121.10128	42.3
123.08012	13.0
123.11708	14.4
125.09612	2.2
131.08539	17.3
133.10114	45.5
135.08020	4.2
135.11684	35.0
137.09671	6.8
137.13255	2.6
139.11145	14.8
143.08525	8.8
144.09328	2.6
145.10088	24.8
147.11662	28.6
149.13228	6.7
151.11198	19.2
157.10120	15.7
159.11655	26.9
161.09612	4.2
161.13223	41.9
163.11101	2.1
163.14783	26.6
170.10905	2.0
171.11676	9.8
173.13237	17.9
175.11084	3.4
175.14793	14.2
177.12683	3.0
177.16408	3.2
179.14288	47.6
185.13220	9.7
187.14728	19.5
189.12654	3.8
189.16359	9.8
191.14267	3.4
191.17941	7.2
199.14743	15.7
201.16356	25.9
203.14197	2.5
203.17929	34.7
205.15797	3.2
207.13763	2.2
213.16306	4.0
215.18018	3.1
217.15813	37.9
219.17430	2.9
227.17915	9.2
235.16870	34.4
245.18843	2.5
255.21034	4.5
269.22583	3.0
389.31842	2.6
389.37704	2.2
407.33023	100.0
408.33286	2.2
425.34140	24.8
443.35318	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3516
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05269	1.5
55.05505	15.2
57.03435	1.7
57.07055	2.9
62.76939	1.7
67.05496	21.0
69.03394	3.0
69.07053	37.3
71.04945	1.9
71.88430	1.5
76.56844	1.7
79.05493	17.0
81.07037	55.2
83.04951	2.2
83.08600	8.9
88.94005	1.7
91.05456	17.8
91.19279	1.5
93.07026	46.8
95.08010	3.0
95.08588	75.9
97.06516	1.9
97.10098	3.0
105.07014	59.6
107.08568	65.8
109.06464	2.6
109.10136	42.4
111.08034	1.9
117.07011	10.1
119.08556	66.9
121.06454	7.3
121.10125	48.1
123.08006	8.9
123.11700	14.4
129.06966	6.7
131.08546	31.0
133.10106	44.3
133.83699	1.7
135.08022	2.3
135.11696	23.3
136.29626	1.7
137.09586	3.7
137.13252	3.1
139.11171	1.9
142.07808	2.7
143.08553	16.6
144.09329	3.5
145.10104	50.7
147.11655	22.5
149.09583	2.5
149.13240	18.3
151.11246	2.0
151.14847	2.3
155.08493	3.5
156.09309	2.4
157.10107	26.1
159.11658	39.5
161.09622	3.7
161.13216	15.2
163.11176	3.5
163.14774	27.4
169.10101	7.7
170.10913	2.9
171.11635	13.7
173.13223	23.9
175.14789	25.2
177.12772	3.6
177.16336	29.7
183.11652	8.3
184.12337	2.4
185.13191	12.4
187.14795	25.3
189.16318	17.8
191.17824	2.3
193.15839	8.2
195.11707	3.4
197.13242	7.4
199.14793	12.8
201.16360	22.6
203.14320	2.1
203.17946	15.0
205.15877	10.8
209.13084	2.8
211.14841	3.7
213.16418	15.3
215.17914	32.4
216.85391	1.8
219.17380	1.7
221.24350	1.7
224.15343	1.8
225.16318	7.2
227.17995	9.4
229.15891	2.0
229.19469	29.0
231.17340	3.2
235.16885	10.3
237.16260	2.1
239.17911	2.0
241.19458	3.0
243.21101	2.7
247.16776	2.2
251.17900	3.7
253.19563	3.0
255.21021	12.5
265.19424	2.1
267.21118	2.9
269.19058	1.6
269.22531	2.4
319.23901	2.9
327.18787	1.7
389.31857	19.5
407.33005	44.5
425.34073	100.0
426.34119	1.7
443.35437	5.3
456.21118	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.01856	0.9
55.05502	45.9
57.03419	2.8
57.07063	0.9
61.02910	5.8
61.49855	0.5
67.05474	0.6
69.03415	12.7
70.06559	0.8
71.04974	1.4
73.02905	1.3
74.75813	0.5
79.05449	0.5
81.03396	4.0
81.07034	0.9
83.04962	1.1
83.08601	100.0
84.08157	0.6
85.02887	50.0
87.04470	1.1
87.05316	0.6
91.03928	0.6
92.09070	1.4
95.04967	0.7
95.08572	0.9
97.02860	14.3
98.97572	0.6
99.04415	2.4
101.09636	17.6
102.30045	0.5
105.06981	0.6
107.04950	1.0
107.08556	0.6
109.02852	5.0
109.10196	1.0
110.07183	0.6
119.08571	1.0
119.10672	10.0
127.03880	13.2
137.09645	1.0
145.04909	6.7
147.04433	0.7
159.07951	1.0
159.11667	0.7
163.03783	0.7
163.05957	1.3
163.11111	0.7
202.92882	0.7
247.08060	1.3
263.16486	0.8
292.07849	0.6
351.26132	0.6
443.18604	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01854	5.6
55.03558	0.7
55.05502	24.6
56.25182	0.7
57.03430	19.0
57.07055	2.0
59.04987	0.9
61.02915	13.2
64.98014	0.7
65.03909	1.2
67.05148	1.5
67.05492	39.7
68.35738	0.9
69.03413	100.0
69.07045	9.2
71.04981	9.6
73.02879	3.8
73.19931	0.9
75.04443	1.0
79.05468	30.8
81.03390	12.6
81.07034	44.8
83.04964	36.9
83.08589	4.5
84.05401	0.9
85.02883	27.3
85.06584	0.8
87.04443	8.7
91.03939	1.5
91.05460	16.1
92.08680	3.6
92.09307	3.2
93.07021	38.3
94.75288	0.8
95.04921	4.4
95.08579	38.9
97.06470	1.4
97.10140	1.5
99.04426	12.4
103.03890	4.4
103.78184	1.0
105.07009	13.0
107.08578	19.8
109.10140	17.1
111.04421	22.4
114.17255	0.8
117.05435	0.9
117.06985	5.6
119.08543	12.4
121.10106	18.5
123.11671	5.7
129.05447	35.3
131.08539	10.9
133.10078	7.5
135.11644	12.4
137.13261	1.5
145.10095	7.8
147.06491	8.6
147.11635	4.1
149.13226	5.9
159.11674	5.6
161.13226	4.1
163.14778	4.0
165.07529	6.1
173.13206	5.3
175.14789	1.2
177.16385	2.0
187.14761	3.7
201.16273	1.3
205.15904	1.0
231.85649	1.1
233.22594	1.2
243.21022	7.0
261.22073	22.3
279.23032	8.5
319.92276	0.9
375.40930	0.9
401.31509	1.0
407.27814	12.9
425.28961	6.0
443.34869	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81627	0.1
55.88703	0.1
56.32518	0.1
65.03925	1.4
67.05481	0.1
69.07066	0.1
79.05460	0.2
81.07053	0.2
85.90459	0.1
88.38351	0.1
90.08250	0.1
91.05459	17.0
92.09054	0.4
93.03442	0.1
93.07032	0.1
95.04943	1.1
95.08591	0.1
96.12400	0.1
105.03373	2.5
105.07047	0.1
108.29067	0.1
111.04425	0.1
119.04917	42.2
123.04391	0.2
128.96721	0.1
144.67738	0.1
147.04385	100.0
148.04678	0.7
181.23389	0.1
261.07516	0.4
293.17950	0.1
301.12842	0.1
303.08456	0.1
321.09659	0.5
380.43103	0.1
425.11789	0.3
443.25739	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66824	0.3
54.03459	1.8
55.04236	2.2
57.03410	0.4
69.03403	2.1
70.02925	0.4
71.04981	0.5
73.02894	0.6
79.60821	0.3
80.04993	0.6
81.03389	0.6
81.04035	0.7
81.04517	19.8
82.05300	8.8
82.85609	0.3
84.04492	0.3
84.08112	0.4
85.02885	3.3
85.06522	0.4
87.04432	0.5
90.32432	0.3
92.08957	0.5
97.02866	1.7
107.05948	0.3
108.05592	0.8
116.72539	0.3
122.07119	84.1
123.07899	100.0
126.61761	0.3
127.03849	0.7
144.04778	0.5
160.04230	1.5
165.07718	2.8
247.52533	0.4
281.10599	37.8
323.11774	0.6
342.57822	0.4
443.15808	51.3
444.16003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91972	0.1
53.00092	0.1
58.31046	0.1
58.79668	0.1
59.04990	0.7
65.03917	1.6
67.05468	0.2
69.03415	0.2
79.05480	0.3
81.03370	0.2
81.07032	0.6
89.13631	0.1
91.05458	22.5
93.06994	0.2
95.04945	0.8
97.10762	0.1
99.34077	0.1
104.42493	0.1
105.03357	2.3
105.06982	0.2
107.08569	0.2
109.06518	0.6
111.08099	0.2
119.04919	51.0
120.05261	0.2
123.04409	0.2
123.11639	0.2
129.44327	0.1
147.04387	100.0
148.04736	0.6
165.09064	0.2
169.31691	0.1
170.59248	0.2
181.34138	0.2
199.38385	0.1
261.07523	0.3
312.01001	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	443.1179
Annotation	S-(4-Nitrobenzyl)glutathione
Peak:m/z	Relative Intensity
50.01600	0.2
50.34515	0.2
51.02369	0.4
52.64876	0.2
53.03939	4.3
55.05500	0.2
57.03419	1.3
61.02905	0.8
69.03419	7.2
70.06564	0.9
71.04969	1.0
77.03894	0.3
79.05474	6.6
81.03400	13.4
83.08620	0.3
85.02889	11.2
85.06518	0.3
92.09232	0.8
95.01313	1.6
95.04948	6.4
95.08635	0.2
97.02865	7.9
99.04434	1.8
105.03376	100.0
106.03709	0.8
109.02867	6.6
123.04412	10.8
124.99951	0.3
127.03901	4.9
129.01775	0.3
141.01834	0.4
145.04947	1.2
161.05963	0.2
177.05547	0.2
231.06505	0.4
249.07538	8.1
267.08572	8.2
300.48358	0.2
316.78232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.0
53.03939	0.6
55.01857	1.2
55.05510	0.7
57.03431	28.1
57.07069	1.2
59.04989	5.2
60.04511	0.8
61.02917	5.7
67.05471	1.0
69.03416	80.4
71.01319	1.0
71.04980	1.5
71.08611	0.7
73.02905	4.8
75.04465	3.0
81.03391	5.5
82.62594	0.7
83.04963	1.2
85.02890	100.0
87.04453	46.7
91.03931	2.8
92.09067	3.1
95.04995	0.9
97.02872	64.8
99.04439	3.7
100.11242	1.3
103.03951	0.9
105.03371	2.9
109.02853	7.7
111.04435	1.0
115.03909	50.7
116.51254	0.7
117.24611	0.7
119.04939	1.1
124.36842	0.7
127.03889	15.0
127.33383	0.6
133.04945	48.9
133.28241	0.6
145.04945	22.0
147.04376	2.8
149.15607	0.6
150.07608	5.9
151.03865	0.8
163.05956	8.7
169.04956	0.8
170.15431	1.5
182.15375	1.3
198.14880	1.4
210.14865	1.0
241.07124	1.3
259.08069	1.4
267.08701	0.7
293.19424	1.1
295.10181	1.2
313.18137	0.8
398.02274	0.8
442.33002	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
55.01871	3.6
55.05507	49.2
55.05764	3.3
57.07070	80.9
59.04984	1.6
67.05492	27.7
69.03429	2.0
69.07054	100.0
71.04974	3.5
71.08244	2.5
71.08617	47.4
76.56364	1.7
78.88091	1.8
79.05463	14.6
81.06595	2.6
81.07043	50.2
83.01331	1.7
83.04958	2.3
83.08606	63.9
85.02900	2.0
85.10166	21.0
87.04456	6.5
91.05461	9.2
92.08644	3.0
92.09238	3.8
93.07037	23.8
95.04370	1.5
95.04950	10.8
95.08585	59.7
97.02866	8.2
97.06507	3.9
97.10145	41.4
99.11723	2.3
105.07001	12.3
107.04938	2.0
107.08579	23.0
109.06508	7.0
109.10145	29.5
111.08071	3.5
111.11707	20.8
111.70795	1.7
112.97573	1.8
115.03933	17.9
117.07017	3.2
119.08544	17.0
121.06498	7.5
121.10135	13.3
123.08050	3.9
123.11669	13.2
125.06023	2.4
125.09528	2.0
125.13248	8.2
131.08546	3.2
133.06476	3.6
133.10098	10.0
134.20114	1.7
135.08055	9.2
135.11691	8.4
137.05980	2.3
137.09625	2.0
137.13232	7.0
139.07536	7.0
143.08499	1.8
145.10158	2.2
147.08054	9.8
147.11661	7.0
149.09613	3.3
149.13226	3.7
150.90041	1.5
151.07573	8.2
151.11191	1.8
151.14803	2.6
153.09055	2.5
155.07095	1.6
157.10056	3.0
161.09608	3.1
161.13235	5.8
163.07497	3.0
163.14752	2.0
165.09120	5.9
171.11670	2.1
175.07507	6.7
177.09099	2.2
179.07005	2.1
180.42949	2.0
189.09099	2.7
189.16447	1.7
199.11139	1.8
217.12433	2.1
231.13873	1.7
247.20464	3.4
256.31506	1.8
281.17612	2.0
313.20142	1.9
319.29907	2.3
323.22336	2.0
333.24142	1.8
343.29959	2.2
361.30908	11.2
363.32343	6.4
379.31860	6.9
389.30341	8.5
407.34750	11.7
407.39526	2.5
425.32507	8.2
432.70251	1.9
442.34030	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26725	0.3
53.03935	0.7
55.01865	0.8
55.05509	3.1
57.03428	2.6
61.02909	4.3
63.07287	0.3
67.05486	1.5
69.03419	8.2
70.06583	0.5
71.01367	0.3
71.04984	2.9
73.02887	2.0
73.06539	0.7
79.05492	0.7
81.03397	4.6
81.04524	1.3
83.01310	0.3
83.04965	10.9
84.04475	0.3
84.05765	1.1
85.02891	34.5
85.06535	3.5
85.07817	0.3
87.04450	1.8
91.03932	1.4
91.05481	0.5
92.08716	0.6
92.09274	0.6
93.06984	0.4
95.04956	2.9
97.02873	12.7
97.06510	2.2
99.04437	5.1
101.06000	100.0
103.03883	0.4
107.04917	0.3
107.08617	0.4
108.39697	0.3
109.02869	4.6
109.06496	0.8
111.04447	1.6
113.06010	2.2
115.03918	0.5
121.06499	0.4
122.07137	5.6
123.07917	5.6
125.05974	3.0
127.03900	7.6
137.05969	1.3
143.07027	0.5
145.04942	7.5
147.04367	0.4
149.05951	0.7
151.07539	0.4
155.06973	0.4
163.03911	0.5
163.06032	0.7
163.07449	0.4
167.07031	0.7
181.08635	0.5
185.08101	0.4
197.08095	1.2
209.08093	0.7
213.30612	0.4
227.09148	2.4
245.10201	2.5
263.11179	8.8
281.10672	1.5
442.13126	5.2
442.18384	0.7
443.15958	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	442.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15154	0.1
53.03939	1.9
55.01862	2.5
55.05272	0.2
55.05508	3.2
57.03429	6.3
59.04976	0.4
60.04509	0.2
61.02916	9.9
67.05502	0.2
67.35018	0.2
69.03416	17.7
69.07060	0.4
71.01341	0.8
71.04979	4.8
73.02900	4.0
79.05471	0.3
81.02929	0.3
81.03403	8.0
81.07046	0.9
83.01326	0.5
83.04976	0.5
83.08602	3.7
85.02891	100.0
87.04449	3.0
91.03941	4.6
92.08775	0.3
92.09254	0.2
93.07043	0.4
95.04943	0.4
95.08613	0.2
97.02872	23.4
97.06509	0.4
99.04430	4.3
99.05025	0.3
99.08069	0.4
101.02390	0.7
101.09634	0.4
103.03904	1.1
105.03349	0.3
105.07053	0.2
107.08592	0.3
109.02863	8.5
109.06502	0.2
109.10155	0.2
111.08057	1.0
113.09619	0.4
115.03915	1.2
123.08036	0.4
127.03896	20.0
127.07596	0.3
129.09065	0.4
137.09589	0.2
139.07498	1.7
141.09097	1.0
145.04938	27.9
151.07523	0.4
153.09164	0.3
155.10661	0.3
163.05986	11.9
167.10712	0.3
169.08490	0.3
179.10699	0.2
191.10646	0.2
191.78545	0.2
197.11658	0.2
209.11771	1.1
214.13629	0.2
227.12814	1.3
245.13860	1.4
263.14856	2.9
271.08447	0.2
289.09302	0.3
325.11279	1.0
351.12030	0.2
434.36798	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3724
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
50.68769	2.0
53.00292	3.5
55.05501	41.7
57.03436	3.8
57.07065	25.6
57.91174	2.2
63.18808	2.0
67.05496	42.7
69.07055	100.0
79.05482	21.9
81.06596	3.8
81.07037	65.4
83.08605	51.4
85.06557	2.8
86.09672	3.8
91.05454	23.7
93.07021	48.4
95.08581	99.1
97.06522	5.0
97.10176	18.1
105.07018	48.3
107.08575	58.0
109.06481	3.9
109.10146	71.4
111.08074	6.1
117.06996	11.6
119.07739	2.7
119.08562	68.2
121.10118	50.0
123.08034	2.6
123.11689	26.2
129.06972	4.9
131.08531	30.1
133.10115	45.2
135.11691	34.3
137.09595	2.9
137.13234	11.9
142.07779	3.0
143.08502	24.9
144.09282	3.1
145.10091	44.6
147.11682	31.1
149.09607	5.8
149.13232	23.0
155.08510	10.7
156.09319	2.9
157.10112	32.6
158.10919	2.9
159.11667	47.2
161.09595	3.0
161.13234	20.0
163.14764	11.3
167.08496	2.7
168.09317	3.1
169.10065	15.2
170.10912	2.9
171.11658	27.8
173.13210	30.3
175.11172	2.9
175.14792	15.8
177.16298	5.9
181.10063	3.7
182.10876	4.7
183.11635	19.4
185.13245	26.3
187.14749	41.5
189.16336	6.2
196.12364	3.6
197.13237	12.7
198.13986	3.5
199.14804	22.6
201.16377	28.5
203.14336	2.7
203.17838	9.2
209.13235	3.2
211.14790	24.4
213.16289	22.4
215.17917	4.6
217.19438	3.3
225.16364	11.7
227.17871	17.5
229.19461	3.7
237.16321	5.0
239.18060	5.9
241.19429	14.1
243.20947	3.8
251.17883	2.9
253.19371	4.2
257.22638	6.1
267.21088	25.3
269.22647	4.6
281.22650	3.7
283.24170	4.4
285.22070	37.6
293.22415	2.8
295.24243	6.0
303.23111	69.3
313.24963	3.5
353.28329	4.0
395.37070	4.2
405.35080	16.0
423.36325	45.4
441.28275	3.4
441.32581	4.4
441.37280	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	441.3724
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
51.52166	1.8
54.70415	1.5
55.05501	20.0
56.11645	1.4
56.23140	1.5
56.45475	1.6
57.07062	3.4
61.66253	1.9
66.74511	1.7
67.05493	25.0
69.07056	26.7
70.44610	1.8
79.05474	22.9
80.60014	2.0
81.07034	47.2
83.08612	16.5
83.67746	1.7
85.06501	2.7
89.83172	1.5
91.05470	23.4
92.08728	5.6
93.07024	50.5
95.08010	3.6
95.08591	100.0
97.10145	8.0
105.07024	44.5
107.08580	83.1
109.06573	2.3
109.10152	60.8
117.06992	8.5
117.78375	1.7
119.08556	65.0
121.10134	66.8
123.08070	2.8
123.11677	25.6
129.06998	2.0
131.08546	19.4
133.10107	73.2
135.11667	38.6
137.09550	2.1
137.13258	7.7
143.08527	10.7
145.10123	39.9
147.11664	41.2
149.09543	2.7
149.13235	15.3
151.11151	2.1
151.14729	2.1
157.10124	16.5
159.11665	34.8
161.09621	2.3
161.13257	28.3
163.14748	15.4
169.09943	2.0
171.11649	10.5
173.13170	19.3
175.14799	10.8
177.16357	14.3
179.14236	3.2
183.11606	3.7
185.13287	10.6
187.14799	13.9
189.16396	18.2
191.17920	9.5
197.13239	3.1
199.14816	8.7
201.16370	11.0
203.17947	19.2
213.16415	8.7
214.17163	2.2
215.17918	15.3
217.19524	7.5
227.17891	3.1
229.19498	7.9
233.18904	2.6
241.19412	3.5
243.20972	18.4
245.15282	2.2
247.20505	4.0
255.20912	6.4
261.22052	10.2
262.41373	2.0
269.22583	10.9
273.06793	2.1
273.22180	2.8
283.24130	2.7
285.22110	3.7
287.23679	3.8
301.25314	3.7
313.25168	9.5
325.09402	2.2
336.47311	1.9
353.28302	3.2
405.34875	7.5
423.36365	40.0
441.20187	2.2
441.37604	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.4
55.05505	40.5
57.07063	32.5
59.73946	2.5
61.23754	2.5
61.84076	2.9
67.05501	29.2
69.07049	85.6
71.08613	4.1
79.05461	7.1
81.07040	64.9
83.04961	3.0
83.08598	50.0
85.06515	3.6
91.05463	17.2
92.09055	3.3
93.07028	36.8
95.08579	100.0
95.66468	3.2
97.10148	16.5
104.91946	4.0
105.07004	46.2
107.08567	63.9
109.10144	60.1
117.06998	5.3
119.08543	51.1
121.10099	34.0
123.11658	27.6
131.08557	27.1
133.10124	41.7
135.11688	25.9
137.09596	4.1
137.13245	6.0
143.08536	20.3
145.10103	38.1
147.11644	19.1
149.13240	12.8
155.08539	6.4
157.10075	31.0
159.11671	37.5
161.09595	3.8
161.13219	19.8
163.14848	4.3
169.10074	15.9
171.11642	21.7
173.13190	25.2
175.11115	3.8
175.14790	13.8
177.12669	5.0
183.11626	19.7
185.13190	30.2
187.14799	27.6
189.16362	12.5
195.11560	6.0
196.12393	4.1
197.13246	22.8
199.14816	15.6
201.16388	25.2
201.47380	3.6
203.18042	4.8
209.13225	5.6
211.14767	21.2
213.16335	17.4
215.17934	3.6
225.16347	13.9
227.17931	6.9
229.19569	4.8
239.17894	4.9
241.19446	7.7
253.19363	4.3
255.21004	3.9
257.22559	4.3
265.19452	3.7
267.21045	46.6
285.22150	31.8
295.24170	4.4
301.21579	4.7
303.23111	74.8
315.23215	3.7
405.35083	14.2
423.36533	29.4
441.37357	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	441.3722
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03921	1.3
53.89673	1.2
55.05499	13.9
57.03423	2.5
57.07053	8.4
59.04996	2.7
65.94160	1.1
67.05489	22.9
69.06712	1.6
69.07050	22.5
69.45135	1.1
71.04975	1.4
71.08620	1.5
79.05470	16.3
81.07035	52.8
83.08589	13.1
85.06506	9.9
91.05456	15.9
92.08707	1.8
92.09190	2.7
93.07020	52.2
95.04935	2.1
95.08579	93.0
97.06506	2.5
97.10159	6.5
105.07003	43.3
107.08567	69.1
109.06498	2.6
109.10137	61.6
110.64983	1.3
111.08074	6.2
113.09589	2.6
114.48083	1.2
117.06985	3.2
119.08547	57.7
121.06511	2.1
121.10114	62.7
123.08054	3.3
123.11669	23.8
125.09524	4.7
131.08539	14.3
131.09390	1.6
133.10107	38.9
133.11026	2.3
135.11658	52.3
137.09586	1.7
137.13239	8.1
139.11234	1.6
141.29086	1.3
143.08559	2.2
145.10101	29.0
147.11670	32.2
147.95355	1.2
149.13231	23.6
151.11220	1.8
151.14761	1.9
156.09198	1.3
157.10112	6.9
159.11661	29.4
161.13200	36.5
163.11154	2.1
163.14774	24.1
171.11604	3.1
173.13211	21.1
175.14781	25.4
177.12753	2.1
177.16335	15.5
179.14247	2.0
185.13229	2.7
187.14722	13.7
189.16335	19.4
191.14314	8.1
191.17908	50.8
193.15816	1.7
199.14787	2.6
201.16350	21.0
203.17934	21.2
205.15837	6.0
205.19554	6.7
207.17444	5.6
213.16327	3.2
215.17892	22.4
217.19572	8.0
219.17415	6.1
225.16542	1.3
227.17892	5.8
229.19586	5.6
231.21066	1.8
233.18985	15.3
243.21078	2.8
255.21034	2.1
257.22586	2.0
261.22064	2.1
283.24310	1.6
284.68652	1.4
341.33600	1.5
395.36731	2.4
405.35263	7.3
406.91177	1.4
423.36182	63.3
441.37253	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	441.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56822	1.5
53.03934	2.1
55.05502	18.8
55.40055	1.3
56.33049	1.7
56.69533	1.5
57.07078	4.9
60.55558	1.6
67.05500	17.5
69.07050	25.8
71.08623	3.4
77.37788	2.0
79.05447	16.6
81.07040	47.0
83.08605	11.6
85.89518	2.0
91.05462	24.3
92.08968	11.6
93.07021	43.4
95.08585	69.4
97.10139	7.3
105.07005	47.4
107.08579	69.9
109.10155	27.9
113.00040	2.1
117.06973	3.8
119.07716	3.9
119.08559	100.0
120.08891	1.9
121.10123	37.4
123.08047	2.2
123.11687	4.2
131.08533	19.3
132.92435	1.8
133.10097	57.8
133.11023	2.9
135.08113	2.1
135.11671	19.3
143.08536	8.5
145.10117	46.3
147.11688	32.4
149.13225	17.1
157.10141	11.8
159.11659	31.7
161.13261	17.9
163.07460	2.2
163.14780	23.4
169.10077	2.5
171.11688	8.2
173.13240	23.4
175.14792	26.7
177.09102	4.3
177.16342	7.7
181.98566	2.0
183.11658	2.9
185.13260	9.6
187.14754	21.5
189.16348	63.5
191.17801	2.6
195.73035	2.2
199.14761	4.5
201.16371	38.3
203.14198	3.0
203.17929	9.3
211.14661	2.8
213.16356	8.4
215.14397	2.8
215.17912	36.0
217.19612	2.2
219.13705	3.7
219.17390	2.0
227.17937	7.2
229.15759	3.8
229.19417	18.4
241.19646	3.6
247.16888	11.9
261.18442	19.8
275.20120	3.8
281.22601	2.9
307.24005	1.9
311.25653	2.7
312.26120	2.7
377.31860	3.3
395.33124	9.2
423.32208	34.1
441.33154	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84961	1.8
55.05496	16.1
57.07065	9.7
67.05489	26.7
68.05804	2.3
69.07040	27.5
71.08635	2.0
77.24368	2.3
79.05473	21.7
81.06593	3.9
81.07034	69.7
82.07352	11.6
83.08585	5.8
89.15423	2.3
91.05464	23.0
92.09171	16.9
93.07024	50.0
95.08007	4.4
95.08576	100.0
96.08910	13.1
97.10149	2.8
103.05391	2.9
105.07001	54.7
107.08572	62.1
108.08929	2.8
109.06475	3.2
109.10139	34.6
111.08070	2.2
117.06995	9.5
119.08558	86.3
121.10120	43.2
123.11675	17.1
129.06963	3.1
131.08527	24.8
133.10091	64.7
135.07999	4.6
135.11676	22.6
137.13229	10.3
138.13560	9.3
143.08545	5.1
145.10110	41.2
147.11653	33.3
149.13206	17.4
157.10088	15.2
159.11632	29.8
161.13197	19.9
163.14781	32.4
171.11687	11.1
173.13261	18.8
175.14796	35.6
177.16371	4.0
178.95535	2.3
185.13159	9.4
187.14754	19.3
189.16344	50.8
191.17905	4.2
197.13289	3.2
199.14804	5.5
201.16299	22.7
203.17859	15.3
213.16396	4.8
215.17905	35.6
225.16342	3.6
227.17834	3.7
229.15894	2.8
229.19441	28.5
241.19525	3.5
246.59392	3.2
247.16922	22.0
261.18491	23.1
299.19736	2.9
304.90796	2.6
309.86755	2.2
341.14212	2.7
377.31735	4.9
395.32822	3.5
423.32318	27.8
440.36063	2.6
441.33591	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	441.336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84961	1.8
55.05496	16.1
57.07065	9.7
67.05489	26.7
68.05804	2.3
69.07040	27.5
71.08635	2.0
77.24368	2.3
79.05473	21.7
81.06593	3.9
81.07034	69.7
82.07352	11.6
83.08585	5.8
89.15423	2.3
91.05464	23.0
92.09171	16.9
93.07024	50.0
95.08007	4.4
95.08576	100.0
96.08910	13.1
97.10149	2.8
103.05391	2.9
105.07001	54.7
107.08572	62.1
108.08929	2.8
109.06475	3.2
109.10139	34.6
111.08070	2.2
117.06995	9.5
119.08558	86.3
121.10120	43.2
123.11675	17.1
129.06963	3.1
131.08527	24.8
133.10091	64.7
135.07999	4.6
135.11676	22.6
137.13229	10.3
138.13560	9.3
143.08545	5.1
145.10110	41.2
147.11653	33.3
149.13206	17.4
157.10088	15.2
159.11632	29.8
161.13197	19.9
163.14781	32.4
171.11687	11.1
173.13261	18.8
175.14796	35.6
177.16371	4.0
178.95535	2.3
185.13159	9.4
187.14754	19.3
189.16344	50.8
191.17905	4.2
197.13289	3.2
199.14804	5.5
201.16299	22.7
203.17859	15.3
213.16396	4.8
215.17905	35.6
225.16342	3.6
227.17834	3.7
229.15894	2.8
229.19441	28.5
241.19525	3.5
246.59392	3.2
247.16922	22.0
261.18491	23.1
299.19736	2.9
304.90796	2.6
309.86755	2.2
341.14212	2.7
377.31735	4.9
395.32822	3.5
423.32318	27.8
440.36063	2.6
441.33591	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	441.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.3
53.03921	1.5
55.01859	1.7
55.05505	15.8
57.03424	12.3
57.06811	1.3
57.07068	20.8
59.04994	7.9
61.02903	2.1
67.05483	4.0
69.03415	33.4
69.07055	93.3
70.06574	5.0
70.24686	0.8
71.04984	1.2
71.08248	1.1
71.08613	19.4
73.02898	2.1
73.06535	17.9
75.04465	1.1
76.56180	0.9
79.05465	1.3
81.03390	5.6
81.07043	3.7
83.04971	4.1
83.08596	5.1
85.02890	34.3
85.06534	1.2
85.10157	9.0
87.04452	16.7
91.05489	1.5
92.08616	1.0
92.09128	4.0
92.64053	0.9
93.07026	1.7
95.04943	2.2
95.08569	1.4
97.02871	26.1
97.06502	1.3
99.04426	3.5
103.03909	0.9
105.03376	14.2
105.07046	3.1
107.04915	1.1
107.08565	2.0
109.02854	1.9
109.06510	1.4
109.10110	1.0
111.04438	1.6
111.08052	1.4
111.11703	79.1
112.07587	1.3
115.03934	14.2
119.05013	1.0
121.10116	1.0
123.08042	1.4
127.03886	5.6
127.25443	1.0
128.10674	1.1
129.05464	1.3
129.12733	100.0
130.12279	1.3
133.04944	11.0
135.08066	1.0
139.03868	1.8
143.08473	1.2
145.02850	1.1
145.04955	3.7
147.04372	2.0
147.13795	17.3
174.11191	1.7
175.06006	1.6
177.05411	1.7
298.11209	1.0
314.01669	1.1
317.26120	1.0
321.11600	1.1
363.06259	0.9
441.10083	1.8
441.20407	4.5
441.25574	1.4
442.17950	1.0
447.44073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54122	0.6
69.03403	1.0
74.49728	0.6
81.03394	1.3
92.08854	5.9
95.04934	0.9
105.03368	14.8
129.03087	3.0
157.02617	3.6
166.81078	0.7
175.03644	3.2
228.77913	0.8
239.26979	0.6
247.05865	1.6
273.50998	0.7
289.06827	3.6
307.07813	95.2
440.23138	3.4
441.11469	100.0
441.24176	4.6
442.11829	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
54.94970	0.2
55.05495	1.8
63.02360	0.3
65.03920	0.5
67.05482	2.2
67.48293	0.2
69.03412	0.5
71.08606	0.5
77.03917	0.5
79.05469	3.4
81.03424	1.0
82.06549	0.2
83.04497	0.3
83.04959	5.5
83.08591	0.4
85.02900	0.4
85.06556	0.2
88.11240	1.1
89.03896	7.7
89.04448	0.3
92.08955	1.2
93.03368	0.5
95.04944	15.8
97.02821	0.3
100.07594	1.1
100.11230	1.9
105.03371	67.1
105.04524	2.0
106.03699	0.9
107.04926	3.1
110.72295	0.2
111.04427	5.2
112.07554	0.2
117.02513	0.5
117.03352	14.1
123.04406	3.5
128.07050	0.5
135.04393	27.8
139.03867	1.1
140.07057	0.3
145.02821	20.6
146.03236	0.3
163.03867	100.0
164.04239	0.9
170.15355	4.0
177.94763	0.2
182.15276	1.7
198.14871	1.3
209.16441	0.4
210.14835	2.0
261.07510	15.7
307.07742	1.3
311.05035	0.2
319.08102	4.2
424.31537	0.9
440.23331	2.7
441.11603	7.3
441.24069	3.6
441.33954	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42906	1.4
55.05505	7.2
57.03429	10.1
58.65571	1.6
65.56166	1.8
67.05480	3.0
69.07064	2.3
71.88292	1.9
79.05473	100.0
81.07038	4.4
83.08590	4.0
84.87842	2.0
85.06548	2.6
89.06012	2.9
91.05464	36.1
92.08650	3.1
92.09243	5.8
93.07019	3.9
95.08572	4.1
97.10141	8.2
105.07027	20.2
106.07378	2.1
107.08574	71.4
109.06480	17.3
116.06227	3.5
129.06961	3.2
131.08537	53.3
134.68124	1.8
140.15398	2.1
149.09608	20.5
167.10620	22.5
193.82585	1.9
270.73529	2.0
276.70444	2.0
352.28549	2.1
362.97070	1.9
363.06354	2.2
382.07773	2.0
450.73889	2.2
458.86572	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	440.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.5
55.01854	2.2
55.05492	10.5
57.03423	2.7
57.07062	13.0
61.02906	4.6
64.32977	2.0
65.92923	2.0
66.01884	1.9
67.05493	19.1
67.07469	1.7
69.03417	19.2
69.07054	14.6
71.04984	4.2
74.29247	2.2
79.05463	13.4
81.03397	61.4
81.07040	38.4
83.04955	17.5
83.08598	4.5
85.02892	36.2
85.06511	28.1
87.04439	5.1
91.05461	19.1
92.08833	2.4
93.07025	30.4
95.04947	81.1
95.08575	34.4
97.02869	13.5
97.06499	10.0
99.04425	10.2
105.07003	61.3
105.07652	2.9
107.08572	34.2
109.02835	3.1
109.06483	16.0
109.10153	15.9
111.08038	4.2
113.02319	2.8
113.05968	28.6
115.03896	3.0
117.06973	9.7
119.08558	41.9
120.08066	7.8
121.06469	9.4
121.10106	39.0
123.07298	2.3
123.08019	19.4
123.11645	2.3
125.05923	2.8
127.03883	7.7
129.06975	8.0
131.08540	68.7
133.06497	3.7
133.10095	19.1
135.08054	2.4
135.11697	10.9
137.09581	2.9
137.33582	2.0
139.07509	4.4
139.11191	9.7
143.08571	4.9
145.10088	14.1
147.11655	60.3
149.09593	23.3
151.07501	10.5
151.11134	3.3
156.09325	8.6
159.11661	21.0
161.13187	24.7
163.11252	3.1
165.12686	33.3
169.08575	10.8
171.10335	2.3
171.11670	16.0
177.12759	13.0
179.14330	2.6
189.12729	34.5
195.13800	9.4
207.13762	100.0
225.14786	60.4
227.66498	2.4
243.15918	41.7
268.42459	2.3
371.19531	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85658	0.9
53.03949	1.1
55.01855	5.0
55.05500	13.8
57.03428	8.1
57.07060	5.1
59.04972	4.9
61.02925	1.1
64.33825	1.0
66.74458	0.9
67.05490	14.5
69.03416	16.4
69.07053	16.0
71.04958	7.6
72.04500	2.2
73.02895	1.7
79.05474	7.8
81.03392	7.1
81.07036	56.5
83.04957	13.1
83.08585	2.4
84.67220	1.1
85.02891	30.2
85.06528	14.3
87.04440	2.6
90.05527	6.6
91.05443	11.8
92.64726	1.0
93.07020	13.8
95.04954	13.0
95.08582	42.6
97.02853	9.4
97.06494	9.5
97.10131	8.3
98.02374	1.7
99.04428	40.8
99.08065	13.4
100.03924	1.3
101.02332	1.5
101.06009	2.0
103.05412	2.3
105.07019	14.9
107.04953	2.3
107.08575	23.5
109.02857	7.3
109.06503	16.6
109.10129	20.4
111.04421	4.3
111.08050	9.3
113.05986	5.0
113.09594	1.3
115.03899	4.3
116.03412	2.7
117.06908	1.5
117.78587	1.3
119.08555	23.2
121.06477	4.9
121.10117	24.2
123.04446	2.5
123.08054	27.3
123.11683	23.4
124.07559	2.5
125.05946	2.6
125.09621	12.3
126.00533	1.2
127.03886	11.1
127.07559	10.6
127.11153	2.2
129.09100	1.2
131.04913	7.6
131.08563	2.4
131.09473	1.0
132.06534	1.5
133.06476	1.3
133.10104	10.9
135.04359	1.2
135.07991	7.2
135.11664	7.4
137.09619	8.3
137.13243	17.8
139.07524	1.4
139.11140	4.2
141.09039	7.8
142.08517	1.4
143.07036	1.2
145.04910	2.5
145.10086	6.0
147.08005	4.5
147.11655	23.2
149.09538	8.3
151.03780	1.4
151.07561	7.9
151.11119	12.0
156.09389	2.4
156.51758	1.0
160.22571	1.1
161.09692	1.4
161.13214	15.8
163.07547	1.6
163.11098	4.8
165.12715	20.5
167.10719	2.0
169.08603	2.2
171.11673	4.4
179.14262	9.5
181.12198	4.3
183.13768	7.1
184.09642	2.0
189.12704	18.9
202.10709	9.5
207.13733	25.8
220.11888	1.5
225.11336	2.7
225.14803	100.0
239.21852	1.5
243.15858	38.7
243.18364	1.4
328.13806	6.3
364.16116	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	440.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.4
55.05497	6.7
57.03420	3.3
57.07059	10.7
59.04980	2.6
62.03859	1.3
67.05499	17.7
69.03416	11.2
69.07047	8.0
71.04979	1.6
73.02914	1.6
79.05473	10.5
81.03398	48.8
81.07036	43.5
82.03728	1.3
83.04971	9.8
83.08605	7.2
84.08110	2.1
85.02883	20.0
85.06525	35.7
87.04437	1.7
91.05440	9.1
92.09126	3.3
93.07021	17.9
94.51147	1.7
95.01266	1.7
95.04950	44.5
95.08584	34.6
97.02862	7.4
97.06519	7.3
99.04427	1.6
99.08025	1.3
105.07008	47.5
107.04923	1.6
107.08568	23.4
109.06510	8.9
109.10144	7.2
111.04399	1.8
111.08047	5.6
113.02298	2.7
113.05981	31.1
115.03912	2.8
117.06983	3.2
119.08568	35.2
121.06458	3.2
121.10126	25.8
123.08024	14.8
123.11670	2.3
125.06031	1.9
125.09599	6.0
127.03817	3.2
127.07507	1.8
131.07018	1.8
131.08543	14.5
133.06491	2.8
133.07532	1.4
133.10092	8.0
135.08032	19.7
135.11717	6.0
139.11172	8.4
143.08507	1.8
145.04991	1.6
145.10100	5.0
147.11656	20.8
149.09605	11.1
151.07545	8.2
156.09361	5.5
159.11668	6.6
161.13211	19.5
163.11195	2.8
165.12721	33.0
169.08575	11.4
170.62845	1.3
171.11644	5.6
172.86354	1.4
177.12802	4.7
179.14252	3.4
185.61572	1.4
189.12756	14.0
195.13733	2.4
207.13768	100.0
225.14828	31.3
243.15828	20.9
352.68173	1.4
391.06305	1.7
450.05099	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47111	1.3
53.00298	1.5
53.03932	14.5
54.81468	2.1
55.01861	2.5
55.05492	11.1
57.03413	2.0
57.07054	14.0
59.04987	2.3
61.02910	2.8
67.05493	21.8
67.78046	1.3
69.03414	22.4
69.07058	10.8
71.04956	7.5
73.02874	2.0
79.05473	15.9
81.03397	50.8
81.07037	50.8
81.62122	1.5
82.03712	1.8
83.04954	12.7
83.08593	9.8
84.08119	2.4
85.02894	31.1
85.06522	41.2
85.13515	1.4
86.03194	1.7
87.04459	2.7
87.43026	1.2
90.76916	1.3
91.05446	10.8
92.08843	1.7
93.07008	22.9
95.01296	13.9
95.04943	50.4
95.08570	41.3
96.01659	3.2
97.02898	11.8
97.06503	10.5
99.04456	2.7
101.06014	2.0
105.07010	55.5
107.04926	2.5
107.08569	30.4
109.02860	7.5
109.06475	12.3
109.10152	11.4
111.04443	1.8
111.08071	3.3
113.02338	18.3
113.05977	35.7
114.02689	7.0
115.03899	1.9
117.07029	4.8
119.08565	39.1
121.06483	6.2
121.10118	33.1
123.08025	12.2
123.11652	2.4
125.05978	2.1
125.09586	6.5
127.03871	7.2
127.07569	2.4
129.06985	1.7
131.07004	2.1
131.08545	20.2
133.06482	2.2
133.10095	9.7
135.07999	12.6
135.11665	7.6
137.09579	2.2
139.03963	1.6
139.11148	8.6
141.09009	1.6
145.10109	6.6
147.11649	22.3
149.09569	12.1
151.07559	12.6
151.11230	2.0
156.09264	2.4
158.19681	1.4
159.11664	9.3
161.13225	22.1
163.11201	3.1
165.12714	37.3
169.08549	9.2
171.11674	6.5
177.12738	6.1
179.14302	5.6
189.12680	15.2
195.13762	2.2
207.13760	100.0
225.11279	2.0
225.14763	30.2
239.93082	1.8
243.15854	19.2
306.64859	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.99580	2.4
54.27376	2.8
55.05504	31.5
57.07056	17.6
58.58772	3.1
62.78045	3.2
67.05492	39.5
69.03423	3.1
69.07048	95.4
79.05479	23.6
81.07044	46.5
83.08595	29.9
90.77472	4.0
91.05464	26.3
92.08823	15.0
92.64057	3.6
93.07021	50.9
95.04897	4.0
95.08590	66.1
97.10130	3.8
105.07023	43.2
107.08578	59.0
109.06479	7.4
109.10139	53.6
111.08031	3.6
117.06980	6.7
119.08528	53.5
121.06466	13.6
121.10121	100.0
123.08043	6.9
123.11674	19.4
129.07037	5.0
131.08545	34.2
132.84622	3.8
133.10085	38.4
135.07990	4.7
135.11650	20.3
137.13214	8.0
139.11174	6.2
143.08554	23.7
145.10107	41.8
147.08012	14.4
147.11642	22.4
149.09581	5.4
149.13223	7.8
155.08508	6.5
157.10123	31.4
159.08063	12.9
159.11638	26.2
161.13194	14.3
163.14774	4.5
169.10097	18.3
171.11644	25.0
173.09636	7.7
173.13232	19.1
175.14760	4.9
181.10258	3.8
183.11653	19.4
185.13219	17.6
187.11197	4.8
187.14734	6.6
189.16367	5.0
195.11636	18.7
197.13240	7.4
199.14850	7.9
201.16313	6.7
203.17892	4.6
205.19688	4.6
207.61934	3.5
209.13248	12.4
211.14816	5.8
213.16446	3.7
214.43552	3.9
217.12172	12.9
221.13301	6.0
223.14758	14.7
235.09193	3.3
235.16878	13.0
236.15634	4.8
237.16289	4.0
239.17888	4.9
251.17914	7.0
261.12027	3.7
265.19418	4.4
268.86877	3.3
269.18967	5.2
273.18362	5.4
285.21854	4.8
291.21149	4.9
309.22110	12.6
328.23898	4.0
403.33548	18.1
421.34204	32.8
439.35834	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05503	11.4
57.03428	1.4
57.07061	4.7
59.04985	1.7
67.05493	23.1
69.03411	12.2
69.07053	30.9
71.04980	2.1
72.95550	1.1
79.05478	9.3
81.07034	28.3
83.04955	1.8
83.08605	6.2
85.06535	2.2
91.05473	6.6
92.08886	3.3
93.07028	18.3
95.04990	1.2
95.08585	53.2
97.06516	2.2
105.07020	24.9
107.08585	19.9
109.10149	29.6
117.07032	2.2
119.08572	19.6
120.73685	1.0
121.10121	16.3
123.08066	11.1
123.11654	5.6
128.06236	1.2
129.07002	1.7
131.08507	7.8
133.10107	19.4
135.08023	1.2
135.11691	6.7
141.06908	1.2
141.09059	16.6
141.09918	1.0
142.07817	1.6
143.08525	8.1
144.09348	1.2
144.93327	1.2
145.10069	12.5
147.11655	10.1
149.13275	5.4
155.08583	2.0
157.10121	13.2
159.11638	18.5
159.12769	1.4
161.13220	5.3
163.14879	2.1
167.08617	1.2
169.10141	6.9
170.11008	1.2
171.08032	5.8
171.11671	11.2
173.13261	12.8
174.06812	1.1
175.14786	2.7
177.16396	1.2
181.10091	1.5
183.11658	9.2
184.07445	1.1
185.13264	10.2
187.14836	6.3
189.16438	2.3
193.10233	1.4
195.11671	4.8
196.12498	2.1
197.13271	6.4
199.14873	6.2
201.12721	1.3
201.16373	3.8
207.11710	2.3
209.13184	3.5
211.14764	4.2
213.16335	2.4
215.17981	1.5
222.14023	1.8
223.14862	4.5
225.16458	4.9
227.17947	1.4
237.16397	6.8
251.17802	2.4
253.19472	1.3
255.17548	2.6
265.19476	1.4
273.18497	10.8
283.24316	1.2
287.20132	5.1
301.21661	1.4
315.23117	1.8
383.29153	1.2
403.33719	2.3
421.34750	5.5
439.35696	100.0
448.48230	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	19.2
55.06582	1.0
57.07067	8.7
60.95282	1.1
67.05493	24.9
69.06708	1.8
69.07053	27.7
71.08612	1.3
79.05468	13.8
81.07035	53.2
83.08595	15.5
91.05457	14.7
92.08791	3.0
93.07024	43.8
93.07534	0.9
93.07623	1.1
95.08583	100.0
97.10143	9.7
105.07008	38.1
105.42879	1.2
107.08575	74.2
109.10141	61.7
117.07027	1.2
119.08556	73.9
121.10120	65.8
123.11684	24.7
131.08536	6.6
133.10104	55.7
135.11670	48.4
137.13217	13.4
142.21553	1.0
145.10098	14.3
147.11656	45.3
149.13234	47.0
151.07407	1.2
153.09113	9.4
159.11671	9.8
161.13219	27.0
163.14758	15.0
165.09050	1.4
167.10683	5.2
171.11638	1.5
173.13231	7.2
174.13995	1.7
175.14754	13.6
177.09016	1.3
177.16356	8.5
179.18039	1.1
187.14771	5.7
189.16348	70.6
191.17909	65.9
193.12245	1.8
199.14838	2.3
201.16367	28.4
203.17921	98.9
205.19502	27.9
207.17465	2.5
213.16351	1.9
215.17941	12.5
217.15802	1.3
217.19514	11.0
221.15413	1.9
221.18996	2.2
229.19476	1.8
231.21071	4.3
235.16853	4.5
243.20984	2.5
245.22585	2.5
247.16832	9.5
249.18427	13.8
255.20869	1.2
261.18451	5.7
269.22687	1.6
356.95337	1.2
393.35071	9.1
439.35672	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	439.3568
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.00291	1.0
53.03928	1.5
53.20316	0.7
55.05500	7.5
57.03413	1.2
57.07066	3.6
59.04989	1.1
67.05492	17.8
69.03415	8.3
69.07051	26.1
72.20544	0.8
79.05475	6.1
81.07036	25.8
83.08608	4.1
88.29976	1.1
89.83565	0.8
91.05482	5.0
92.08987	9.0
93.07018	11.1
95.04925	1.1
95.08585	49.6
96.08927	0.8
97.06500	4.9
97.10151	1.0
105.07017	17.1
106.64376	0.9
107.08582	18.4
109.10143	30.9
111.08095	1.2
117.07021	2.2
119.08550	17.6
121.10121	17.1
123.08035	10.9
123.11646	7.3
129.07001	2.0
131.08522	7.1
133.10106	20.6
135.11679	5.6
137.13222	2.3
141.09076	17.0
142.07722	1.5
143.08566	7.5
145.10110	12.3
147.11647	8.2
149.13278	4.2
155.08583	1.3
156.09328	1.5
157.10147	10.6
158.10893	1.1
159.11655	17.6
161.13234	4.3
163.14857	2.0
169.10097	7.9
170.10886	1.1
171.08020	4.6
171.11664	7.3
173.13177	9.5
174.95345	1.0
175.14809	6.0
177.16318	2.0
181.10034	1.5
183.11662	4.6
185.09605	1.7
185.13196	10.0
187.14792	4.6
195.11678	4.7
196.12300	1.1
197.13251	7.1
199.14862	6.5
201.12807	1.3
201.16333	4.5
203.14482	1.0
203.17841	1.4
207.11707	2.2
208.12282	0.9
209.13321	1.8
210.13971	1.3
211.14783	4.5
213.16356	5.7
215.17912	2.0
217.15839	1.6
221.13287	1.1
222.14114	1.5
223.14796	2.0
225.16478	1.9
227.18011	4.9
237.16333	5.9
239.18069	4.0
251.18016	1.9
253.19521	1.2
255.17474	1.6
261.18607	1.3
265.19354	1.2
267.21225	1.0
273.18454	10.8
275.19867	1.1
287.20160	7.7
289.21680	1.3
315.23215	4.2
392.86057	1.0
403.33575	4.7
421.34601	4.3
439.35721	100.0
448.52280	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.7
57.07074	7.8
67.05180	1.5
67.05491	19.5
69.07054	14.0
79.05468	8.7
79.57724	1.1
81.07037	71.3
83.08611	7.1
83.34068	1.0
87.48827	1.0
91.05455	5.1
92.08869	1.2
93.07015	12.8
95.08582	100.0
97.10177	1.5
105.07018	11.5
106.84777	1.0
107.08582	15.8
109.10139	34.7
117.06967	1.6
119.08584	13.3
121.10123	15.5
123.11682	25.1
131.08527	6.5
133.10124	8.6
135.11674	7.9
137.13232	44.8
143.08519	1.7
145.10101	11.9
147.11665	8.0
149.13194	8.7
151.14812	1.5
157.10094	5.5
159.11659	7.5
161.13292	2.1
163.14767	1.4
171.11644	6.8
173.13248	6.3
175.14787	5.4
179.17940	4.5
181.40039	1.1
185.13283	4.2
187.14812	5.4
189.16267	8.2
191.17923	5.0
199.14827	5.6
201.16376	7.1
203.17859	8.8
205.19473	2.1
213.16377	10.2
215.17923	4.4
241.19374	5.6
243.21045	2.3
245.15179	1.4
255.20987	4.0
259.16879	5.3
261.18442	2.0
269.22626	4.4
279.95313	1.2
393.34982	13.7
434.21100	1.2
439.35776	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	18.8
57.07054	6.5
67.05497	13.1
67.93893	1.3
69.07051	25.1
75.91467	1.3
79.05477	12.8
81.07040	41.2
83.08611	12.5
84.35909	1.6
89.06006	1.9
91.05443	11.8
92.09016	17.4
93.07018	36.7
95.08586	73.4
97.10163	6.7
99.58001	1.5
105.07015	36.9
107.08577	59.6
109.10144	46.7
111.11708	2.0
119.08559	61.4
121.10126	45.0
123.11687	13.4
131.08572	3.5
133.10110	41.7
135.11688	33.6
137.13225	3.5
139.29988	1.3
139.46223	1.7
145.10107	11.4
147.10600	1.6
147.11664	46.6
149.13242	25.4
151.07559	1.5
153.09120	10.5
159.11682	9.0
161.13219	25.9
163.14822	14.3
167.10681	2.8
173.13297	2.6
175.14774	16.6
177.16362	3.5
185.13205	1.5
187.14767	3.1
189.16350	63.4
191.17908	68.2
195.09775	1.7
201.16382	18.8
203.17931	100.0
205.19521	17.8
208.25403	1.6
215.17935	6.7
217.19554	9.8
229.19473	2.2
231.21095	2.4
235.16956	8.3
245.22662	1.8
247.16910	7.3
249.18475	14.3
393.35156	6.4
426.34793	1.7
438.24988	1.6
439.35580	32.6
456.08606	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.05502	8.4
57.07069	11.2
67.05492	18.6
69.07053	11.9
78.45352	0.8
79.05482	8.0
81.07040	76.8
83.08629	7.2
86.76904	0.7
91.05447	5.0
92.09086	1.0
93.07031	11.3
95.08587	100.0
97.10152	3.2
105.07011	8.8
107.08588	12.6
109.10142	31.5
111.11720	0.9
117.07022	2.9
119.08562	7.8
121.10129	6.4
123.11686	29.2
131.08549	8.4
133.10088	6.3
135.11650	5.3
137.13237	44.3
139.35320	0.8
143.08578	3.2
145.10124	8.7
147.11668	5.6
149.13255	3.8
151.14772	1.6
157.10143	3.9
159.11632	5.4
161.13214	3.3
163.14813	1.4
165.09052	1.2
171.11659	6.1
173.13237	6.0
175.14786	4.9
179.17844	5.0
185.13234	4.2
187.14764	6.6
189.16324	1.1
191.17918	0.6
199.14790	6.1
201.16345	6.4
205.19518	1.0
206.31198	0.7
212.08238	0.7
213.16328	9.2
215.17934	5.5
215.95056	0.7
227.17992	1.5
241.19478	4.7
243.21132	3.2
255.21080	4.2
256.05038	0.7
259.16821	6.7
269.22595	4.0
287.20151	1.3
289.21777	0.8
393.35095	13.9
409.11533	0.8
439.35657	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	439.3569
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
52.83340	1.7
54.30862	1.8
55.05499	11.6
55.58907	1.8
57.07066	25.7
58.07399	2.8
62.26500	2.1
65.47532	1.8
67.05494	19.6
69.03416	11.3
69.07061	37.8
71.08611	18.6
79.05488	4.4
81.07042	31.2
83.04939	2.0
83.08617	4.9
83.24845	2.3
85.10169	4.7
89.06017	24.8
90.06329	2.3
91.05466	9.1
92.08832	2.1
93.07024	14.2
95.08578	57.7
97.10149	4.3
105.07029	24.1
107.08585	24.7
109.10146	41.2
117.07044	2.2
119.08562	19.4
121.10130	12.0
123.08023	14.8
123.11689	5.2
129.06964	2.4
131.08525	8.7
133.08606	7.9
133.10114	23.9
133.20868	2.2
134.08873	2.4
135.11688	9.6
141.09085	19.0
143.08507	8.5
145.10112	8.5
147.11684	15.2
149.13231	4.6
155.08543	2.9
156.09175	2.2
157.10130	13.4
159.11682	19.6
161.13245	9.5
169.10097	5.2
171.08002	5.2
171.11717	7.9
173.13255	13.5
183.11682	3.6
184.12357	2.1
185.13280	8.9
187.14821	3.1
189.16406	3.2
191.17912	3.2
195.11623	4.0
197.13145	7.7
201.16412	3.6
203.18028	2.3
208.12538	2.1
209.13202	3.3
211.14804	3.8
213.16194	2.3
227.17981	3.7
237.16425	4.0
239.14874	8.4
240.15193	2.6
245.45526	2.2
251.17883	2.3
255.17404	3.0
265.75644	2.2
273.18448	12.0
287.20175	4.1
365.40564	2.7
403.33380	4.3
421.34714	10.5
422.35397	14.3
439.35699	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	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06275	3.0
54.71735	3.9
55.01876	3.7
55.05515	30.3
57.07071	5.9
67.05491	57.7
69.03405	5.6
69.07054	36.3
70.14230	4.1
71.04981	4.1
79.05482	27.5
81.07037	75.8
83.08604	7.4
91.05458	25.5
92.08846	4.4
93.07028	54.3
95.08588	100.0
97.10179	6.5
105.07018	55.4
107.08585	68.5
109.10166	63.2
111.08032	5.7
117.07031	8.9
119.08560	72.0
121.06487	3.9
121.10097	44.6
122.45865	3.7
123.08027	8.9
123.11647	18.3
131.08551	21.8
133.10103	49.6
135.11685	22.4
137.13223	5.3
142.07765	6.1
143.08533	15.3
145.10081	60.2
146.10400	4.0
147.11635	30.7
149.13202	7.0
155.04648	3.7
156.09290	7.1
157.10085	34.0
159.11650	39.2
161.13223	20.8
163.14790	4.4
169.10085	15.9
170.10864	8.5
171.11684	33.8
173.13293	31.1
175.11183	5.7
175.14767	8.8
179.78548	3.9
183.11720	9.6
184.12360	5.0
185.13245	24.3
187.14825	28.1
189.16403	30.7
191.17917	4.1
195.11685	5.6
197.13152	13.4
199.14803	48.4
201.16385	43.8
209.13205	9.0
211.14799	14.0
213.16393	9.1
217.19746	4.9
225.16402	16.2
229.19501	5.6
237.16270	6.7
239.17931	6.1
295.24109	8.5
298.22253	5.2
305.53238	4.1
307.24066	4.0
368.29321	4.9
403.33438	36.1
421.34760	16.4
439.36124	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41327	5.6
54.59372	5.2
55.05493	29.1
57.07066	10.2
60.54531	5.5
67.05488	49.4
69.07065	71.6
69.09877	6.5
71.08582	6.9
79.05462	36.0
81.07036	55.8
85.02903	7.8
91.05448	34.9
92.08808	52.1
93.07021	72.1
95.04944	29.0
95.08568	75.3
97.10165	8.9
101.99335	10.0
105.03374	34.6
105.06998	69.6
107.08566	100.0
109.10158	73.7
117.07014	12.3
119.08576	59.3
121.10130	72.1
123.11671	12.7
129.06970	7.4
131.08510	32.9
133.06462	8.7
133.10127	54.3
135.11668	46.6
143.08513	10.4
145.10077	45.9
147.11664	15.2
149.13205	8.8
156.09373	8.3
157.10080	16.9
157.40178	7.6
159.11699	10.7
161.09581	9.1
161.13202	8.9
163.14807	10.0
165.09068	16.9
173.13223	7.7
175.14738	11.9
183.11674	9.1
187.14815	12.5
190.98981	7.7
191.17929	13.6
197.13257	9.4
201.16422	10.3
203.17851	26.7
223.14731	7.5
229.19536	8.2
265.46295	8.0
348.67130	7.3
349.32718	7.6
350.76849	7.6
421.34738	9.4
439.35742	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55045	0.6
51.72771	0.7
55.05501	6.3
57.03443	1.2
57.07064	1.9
60.60231	0.7
65.98617	0.7
67.05492	8.8
67.05789	0.9
69.03428	0.8
69.07052	11.0
70.06520	0.7
75.99958	0.6
76.48879	0.8
78.06451	0.8
79.05463	6.3
81.03356	1.0
81.07040	16.7
82.89473	0.8
83.08595	4.1
91.05453	6.7
92.08733	1.1
92.09245	1.6
93.07024	15.9
94.67692	0.8
95.04929	1.3
95.08585	27.3
96.95007	0.8
97.10158	1.4
105.07024	12.5
106.07601	0.8
107.08581	23.8
109.06539	1.4
109.10144	11.5
117.06981	1.8
119.08565	27.8
121.06483	6.5
121.10129	18.2
123.11700	1.9
124.94792	1.1
129.06946	1.1
131.08554	6.9
133.10091	20.2
135.08067	4.3
135.11670	9.5
140.75467	0.9
143.08542	3.2
145.06424	10.2
145.10100	12.3
147.08034	22.2
147.11658	12.0
149.09628	1.4
149.13240	6.8
152.58618	0.9
153.09108	1.2
155.08525	0.8
157.10158	4.5
158.10846	1.0
159.08018	42.7
159.09325	1.7
159.11638	6.9
161.09596	23.6
161.13231	12.2
162.10384	1.2
163.11174	3.4
163.14812	3.8
169.22832	0.9
170.10872	1.0
171.11694	1.9
172.08719	0.9
173.09601	16.3
173.13243	3.5
175.11137	13.9
175.14815	2.0
176.11992	0.8
177.12732	5.1
177.16321	6.2
185.13205	4.1
187.11182	5.4
187.14792	4.9
189.12712	31.9
189.16342	9.2
190.13478	1.4
191.14281	3.6
191.17941	3.6
197.13318	0.9
199.14778	1.7
200.11945	1.4
201.12770	3.5
201.16275	1.8
203.14288	17.5
203.17894	12.2
213.16464	1.1
215.14279	100.0
217.15912	1.4
219.17435	1.1
297.22049	1.6
375.30383	0.8
393.31424	27.5
421.30627	8.7
439.31808	29.1
439.36938	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81733	0.9
55.01860	1.0
55.05502	9.3
57.03416	0.8
57.07058	3.6
67.05481	11.2
69.03390	3.3
69.07049	16.3
79.05479	12.0
81.03369	1.7
81.07040	26.6
83.05000	1.2
83.08591	5.2
85.02871	5.4
91.05457	9.0
92.09061	1.4
93.07024	27.3
95.04948	2.1
95.08009	1.8
95.08585	42.7
97.10123	1.6
105.06355	1.5
105.07011	25.3
107.08575	31.7
109.06503	4.9
109.10139	22.5
111.08077	1.6
115.05392	1.0
117.07008	1.7
119.08553	33.4
121.06480	16.5
121.10114	25.7
123.08013	1.6
123.11665	5.6
125.09615	1.4
128.06137	1.1
129.06879	1.0
131.08571	9.5
133.10103	33.1
135.08037	7.9
135.11668	13.1
137.13272	1.1
142.07782	1.7
143.08562	5.9
145.06470	11.2
145.10098	15.5
146.07251	4.6
147.08020	51.6
147.11635	16.7
149.09631	3.8
149.13235	15.6
153.09142	1.0
156.09303	1.4
157.10063	7.9
159.08032	36.1
159.11646	10.5
160.08789	1.9
161.09583	76.8
161.13187	10.8
162.10283	1.3
163.11131	4.1
163.14735	13.3
171.11668	3.9
173.09631	13.3
173.13249	5.5
174.10373	1.2
175.11154	16.9
175.14702	9.9
176.11888	1.7
177.12704	6.0
177.16367	14.9
183.11623	1.1
185.13179	5.8
187.11186	6.2
187.14761	12.5
189.12715	49.7
189.16345	23.0
191.14291	4.2
191.17862	7.0
193.12100	1.1
197.13222	1.7
199.14731	1.6
201.12720	5.0
201.16422	2.1
203.14293	22.8
203.17921	18.2
205.15884	1.4
213.12842	1.3
215.14279	100.0
217.15845	1.8
217.19681	1.0
219.17336	1.4
227.13962	1.0
229.15834	1.2
277.21530	3.4
292.75122	1.1
393.31436	43.8
421.31042	8.7
439.26001	2.1
439.31940	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	439.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98868	3.5
55.05502	17.3
57.07062	5.1
60.74428	3.6
67.05495	26.5
69.07051	27.9
69.45197	4.4
71.15405	5.1
75.23128	3.9
79.05473	22.7
81.07039	92.1
82.07395	8.2
83.08619	7.5
91.05470	27.2
93.07034	49.8
95.04931	7.0
95.08584	100.0
97.06490	8.9
105.03379	19.0
105.07019	48.5
106.03738	6.8
107.08605	55.8
109.10151	53.2
111.08068	19.8
111.11741	5.2
119.08548	81.5
121.06451	9.1
121.10103	49.8
123.11668	16.5
128.41473	3.5
131.08528	18.0
133.10120	55.6
135.08017	20.0
135.11653	24.2
137.13197	5.6
143.08583	10.2
145.10088	42.1
147.08051	26.6
147.11673	35.5
149.13232	16.2
157.10165	24.4
159.11655	26.1
159.18745	4.1
160.06555	4.2
161.09587	38.0
161.13234	25.4
163.11099	5.2
163.14774	6.8
170.10886	7.0
171.11575	14.1
173.09572	6.8
173.13269	15.1
175.11185	17.7
175.14853	21.6
177.16360	26.8
183.11627	4.3
185.13234	16.8
187.11159	4.6
187.14781	23.9
189.12767	29.9
189.16382	26.9
191.14313	7.1
191.17894	15.7
197.13254	7.0
199.14755	6.6
201.16313	6.5
203.14288	43.2
203.17845	13.8
213.16417	6.8
215.14259	18.1
215.17946	5.6
223.14931	5.9
225.16187	4.1
268.11023	4.5
297.22253	4.9
393.31433	48.1
439.31699	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	439.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32200	1.9
53.00307	2.3
53.03929	16.9
53.90829	2.0
55.01851	4.5
55.05505	20.9
57.03419	13.4
57.07066	30.8
61.02916	18.1
62.24970	2.4
67.05492	42.4
69.03416	49.0
69.07054	21.6
71.04954	4.5
73.02899	4.8
76.72549	2.2
79.05048	4.5
79.05473	75.5
81.03375	19.8
81.07043	48.3
83.04935	4.2
83.08604	9.0
85.02892	82.6
87.04446	9.2
91.03914	3.4
91.05457	43.0
91.61417	2.3
92.09003	18.5
93.07027	100.0
95.04935	13.2
95.08593	37.8
97.02863	31.0
97.06530	3.3
99.04393	2.8
105.03369	12.4
105.07024	40.2
107.08578	55.2
109.02863	12.5
109.06483	3.1
109.10123	17.5
117.06993	10.9
119.08559	33.1
121.06470	3.1
121.10100	40.4
121.19328	2.3
127.03850	11.9
129.06979	5.2
131.08565	18.3
133.10083	26.5
135.11665	29.2
143.08543	15.4
145.04965	5.0
145.10080	19.5
147.08060	5.1
147.11664	13.9
149.13260	20.9
157.10115	9.7
159.07957	4.7
159.11653	12.0
161.09605	10.7
161.13234	11.1
163.11142	2.9
163.14722	5.0
171.11642	4.9
173.13217	4.5
175.11166	3.5
175.14742	4.4
185.13274	4.7
187.11172	2.4
187.14821	3.7
189.12689	4.0
189.16342	4.4
203.14227	2.6
203.17958	3.7
213.16345	4.0
215.14253	10.0
216.14490	2.5
230.44151	2.3
236.74846	2.4
254.86130	2.3
260.97311	2.4
269.10236	2.4
275.20023	3.6
277.07358	2.8
277.21585	66.8
289.21774	2.5
295.08423	11.5
301.21432	5.3
393.31085	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	439.2299
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
53.80402	0.2
54.81942	0.3
55.05496	0.4
56.96564	0.3
58.67137	0.3
66.66118	0.2
67.05484	0.7
69.07043	1.1
79.05464	0.4
81.03376	0.3
81.07026	1.7
81.56587	0.2
85.02879	0.5
91.05475	0.3
93.07047	0.5
95.04926	0.5
95.08567	1.3
98.82351	0.3
105.03384	1.4
105.07009	0.4
107.08569	0.6
109.06444	0.3
109.10122	1.1
113.09624	0.3
119.08559	0.4
120.27399	0.3
121.10054	0.3
129.06963	0.4
131.08565	0.3
131.77145	0.3
133.10136	0.4
138.71547	0.2
145.10191	0.3
165.09135	0.4
203.05229	1.7
267.08783	0.3
277.17743	1.6
280.45197	0.3
340.81021	0.3
395.23819	0.6
439.22931	100.0
440.23315	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2296
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
50.24067	0.3
71.27077	0.3
76.77337	0.3
81.03390	0.4
92.08686	0.8
92.09271	0.9
93.06994	0.4
96.01826	0.4
105.03378	3.4
106.03706	1.3
107.31010	0.4
120.01743	0.3
132.02788	0.3
141.05241	0.4
157.04703	0.5
169.04710	0.7
170.10768	0.3
183.91966	0.3
203.05246	2.2
259.16666	1.9
269.35034	0.4
273.09506	0.4
277.17691	3.1
369.18744	6.8
439.22937	100.0
440.23087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.12
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.05496	0.5
56.88364	0.4
57.03426	2.1
61.02901	0.6
67.05485	3.4
69.03419	4.7
69.07060	0.6
71.04948	0.5
71.22867	0.5
73.01340	0.5
73.02908	2.1
73.46657	0.5
81.03410	0.8
81.07027	3.2
85.02890	3.4
85.06523	0.8
92.08802	1.6
93.07014	1.1
94.14968	0.5
95.04950	0.6
95.08581	2.4
97.02892	4.3
97.06477	1.0
105.03356	4.8
105.07047	0.7
106.02996	0.5
106.03703	2.8
107.08585	1.0
109.02836	1.0
109.06521	0.9
109.10131	3.4
109.27084	0.5
111.08042	2.2
115.03978	0.8
124.03886	0.7
125.09599	2.3
127.03929	0.6
143.14169	0.5
145.02641	0.5
145.04926	0.6
145.10077	0.9
177.12686	0.6
181.12160	0.8
182.12540	0.7
185.04155	0.7
201.10213	0.7
223.13286	3.2
224.13661	0.9
229.06784	3.1
241.14311	0.9
317.08356	55.2
324.88092	0.6
343.39725	0.5
376.72845	0.6
409.81845	0.8
439.12000	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	438.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59120	1.8
52.25262	1.9
55.05508	16.8
57.07058	7.7
59.04987	2.5
67.05488	22.0
69.07056	9.9
71.04974	13.1
79.05469	35.4
81.07042	52.7
83.04972	3.0
83.08586	2.3
85.06545	17.1
89.06023	20.8
91.05460	36.3
92.03754	2.5
92.06236	3.0
92.08658	7.2
92.09277	11.5
93.07021	100.0
95.04949	12.6
95.08584	29.5
97.06492	4.1
99.04473	2.5
105.07017	41.3
107.08576	48.2
109.06505	18.0
109.10137	8.7
110.09679	14.5
113.78387	2.2
114.76981	2.6
117.07059	8.0
119.08551	30.6
121.10120	17.9
122.44315	2.2
123.08064	2.9
125.09634	3.1
129.06982	3.3
131.08556	16.4
133.08603	5.4
133.10109	31.8
143.08398	2.4
145.10091	19.7
147.11700	3.6
149.13243	5.2
151.11179	8.6
157.10120	2.6
159.11630	16.9
161.13197	33.7
168.13811	14.3
173.13300	4.1
185.13255	2.3
201.16362	16.4
236.20039	4.1
239.14876	5.0
252.19052	2.8
316.19418	2.6
421.35376	3.3
448.25027	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	439.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05802	0.4
53.03934	0.4
57.03427	2.4
61.02892	0.4
67.05483	2.5
69.03405	4.0
71.04983	0.9
73.00174	0.4
73.02892	2.6
81.03388	3.0
81.07022	1.1
85.02879	4.4
85.06592	0.5
87.04463	0.5
91.05463	0.6
92.09174	1.0
93.07040	1.0
95.08588	0.8
97.02871	4.3
99.04434	1.2
104.19830	0.5
105.03371	6.2
105.06968	0.9
106.02949	0.8
106.03707	2.9
107.03895	0.5
107.08575	0.9
109.10152	2.4
111.08079	2.3
121.10160	0.7
123.04398	0.9
123.08058	0.9
124.03946	1.2
127.03884	0.5
145.02615	0.5
151.96283	0.5
165.09097	0.6
179.98680	0.5
181.12227	1.1
185.04164	0.7
223.13251	4.9
224.13686	1.9
229.06801	2.3
241.14302	1.0
249.39690	0.5
250.52815	0.7
254.08516	0.6
260.92178	0.5
270.09335	0.5
287.86246	0.6
317.08377	53.4
348.40665	0.5
368.43524	0.5
439.12030	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	438.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59120	1.8
52.25262	1.9
55.05508	16.8
57.07058	7.7
59.04987	2.5
67.05488	22.0
69.07056	9.9
71.04974	13.1
79.05469	35.4
81.07042	52.7
83.04972	3.0
83.08586	2.3
85.06545	17.1
89.06023	20.8
91.05460	36.3
92.03754	2.5
92.06236	3.0
92.08658	7.2
92.09277	11.5
93.07021	100.0
95.04949	12.6
95.08584	29.5
97.06492	4.1
99.04473	2.5
105.07017	41.3
107.08576	48.2
109.06505	18.0
109.10137	8.7
110.09679	14.5
113.78387	2.2
114.76981	2.6
117.07059	8.0
119.08551	30.6
121.10120	17.9
122.44315	2.2
123.08064	2.9
125.09634	3.1
129.06982	3.3
131.08556	16.4
133.08603	5.4
133.10109	31.8
143.08398	2.4
145.10091	19.7
147.11700	3.6
149.13243	5.2
151.11179	8.6
157.10120	2.6
159.11630	16.9
161.13197	33.7
168.13811	14.3
173.13300	4.1
185.13255	2.3
201.16362	16.4
236.20039	4.1
239.14876	5.0
252.19052	2.8
316.19418	2.6
421.35376	3.3
448.25027	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	438.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01859	2.9
55.05500	2.8
57.03423	2.5
57.07061	0.5
59.04985	1.3
61.02903	2.4
61.47484	0.5
65.03913	0.7
68.99768	0.7
69.03416	11.6
69.07049	8.5
70.55599	0.5
71.04961	0.9
71.08614	64.8
71.81577	0.6
71.95528	0.5
73.02904	3.0
75.15995	0.6
81.03400	10.2
81.07045	1.3
83.08612	0.7
85.02886	23.4
87.00816	13.4
91.05457	96.8
92.08988	3.6
93.06999	1.0
95.08563	1.3
97.02879	13.6
99.04431	4.5
99.08069	100.0
105.01839	6.1
105.03386	2.2
109.02859	7.4
109.10088	1.0
117.01862	1.2
127.03890	10.7
129.12732	9.7
145.04916	3.3
151.03911	8.6
155.14336	2.3
159.02853	3.2
159.56674	0.6
173.15335	47.3
182.36525	0.6
223.20547	1.3
231.05020	1.3
241.08533	0.7
257.18301	0.6
259.09641	2.5
340.80014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.1
57.03416	0.2
62.93349	0.1
64.33521	0.2
67.05479	0.7
69.03410	0.4
69.07044	0.2
73.92014	0.2
79.05463	0.4
81.03389	1.1
81.07030	0.9
82.44183	0.2
85.02882	1.0
85.06528	0.2
91.05460	4.9
92.09059	0.4
93.07014	0.4
95.04962	0.3
95.08581	0.3
97.02858	0.4
99.04397	0.2
103.05442	0.3
104.37442	0.2
105.03362	2.3
105.07024	1.3
107.04926	1.0
107.08549	0.6
109.02885	0.3
109.06493	0.3
109.10130	0.3
111.08077	0.2
115.05424	1.3
116.06205	0.8
117.06230	0.2
117.06995	1.2
119.04916	2.3
119.08571	0.2
121.10122	0.2
123.04393	0.2
125.09671	0.2
127.03896	0.3
128.06181	3.1
129.06047	0.3
129.06982	9.1
131.04865	0.3
131.08543	11.5
132.05699	0.2
133.06442	1.7
133.10109	1.1
135.11613	0.2
137.05934	2.0
139.05396	0.2
141.06961	3.0
142.07744	1.3
143.04846	0.3
143.08528	2.1
144.05679	4.0
145.06476	3.1
146.07266	1.6
147.04404	0.7
147.08028	0.3
152.06140	0.2
153.06960	1.4
155.06044	0.4
156.05685	0.6
157.06468	4.5
158.07217	1.0
159.08022	19.2
160.05122	0.2
161.05963	1.3
161.09586	4.6
167.04900	0.2
167.06989	1.1
169.06413	0.6
169.07617	1.4
170.07217	3.9
171.08012	4.1
172.05141	1.3
173.05945	2.5
174.06767	1.4
175.07520	1.7
178.06245	0.3
181.06496	0.2
184.05223	0.2
185.05930	0.6
186.06688	0.3
187.07498	13.3
188.08267	0.6
189.05415	1.3
189.09067	6.0
190.06216	0.8
191.06989	0.8
192.07791	0.2
192.99643	0.2
193.08542	0.8
198.06773	1.3
199.07495	2.1
200.08139	0.2
201.05411	0.7
203.07022	3.0
204.07782	9.6
205.08548	1.4
206.09492	0.9
207.10133	0.6
216.07762	2.5
217.08571	0.7
218.09315	1.0
219.10117	2.9
221.08134	0.3
221.11685	1.7
231.10112	5.7
234.08893	1.1
237.11267	0.4
249.11162	100.0
250.11465	0.3
250.68291	0.2
267.08536	0.2
267.12265	1.3
317.30170	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13526	0.2
53.03942	2.4
54.81730	0.2
57.03431	0.4
66.04710	0.2
69.03417	3.7
71.04968	0.4
73.99184	0.2
79.05470	2.2
81.03398	8.4
81.07043	0.3
85.02881	2.6
85.06564	0.3
91.05467	0.3
92.08929	0.5
94.04137	1.8
95.04945	2.2
97.02862	5.1
97.03484	0.2
99.04444	1.2
105.03372	44.1
105.12440	0.2
107.05005	0.2
108.04488	0.8
108.62943	0.2
109.02869	3.3
119.08539	0.2
122.03617	6.2
123.04411	2.7
126.05480	0.2
127.03899	2.0
137.05954	100.0
138.06288	0.5
204.18317	0.3
249.07536	6.8
255.34401	0.2
267.08521	1.7
385.75992	0.2
443.31058	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.3
51.57992	0.2
53.03717	0.2
53.03939	4.6
55.01864	0.4
55.05487	0.3
56.73962	0.2
57.03421	1.1
57.07047	0.3
61.02879	0.2
62.74452	0.2
67.05488	1.1
69.03069	0.4
69.03416	8.0
69.07053	0.8
71.04964	1.6
73.02908	0.3
76.94646	0.2
77.03876	0.2
78.68695	0.2
79.05483	4.4
81.03400	18.9
81.07044	3.4
83.04950	0.2
85.02889	8.8
85.06537	2.3
86.09702	0.3
91.05464	2.8
92.08743	0.3
92.09203	0.4
93.07027	1.2
95.04943	5.9
95.08576	2.3
97.02868	10.7
97.06519	0.4
99.04425	2.3
99.08031	0.2
103.03867	0.3
105.03374	100.0
106.03712	0.4
107.04935	1.5
107.08557	1.3
108.82198	0.2
109.02866	10.8
109.10134	1.5
109.32924	0.2
119.04939	1.4
119.08562	0.5
121.02858	0.9
121.06472	1.5
121.10128	0.4
122.05460	0.2
123.04411	7.1
123.08030	0.3
123.11686	0.3
124.07540	0.4
125.07880	0.2
127.03893	6.5
133.10150	0.2
135.11659	0.3
136.07568	0.4
137.05998	1.2
137.09610	0.4
137.13217	0.5
145.04921	1.7
145.10184	0.3
151.10921	0.2
152.07037	0.4
152.24194	0.2
153.12689	0.4
153.49597	0.2
154.08675	1.6
154.13072	0.2
155.14311	1.0
167.07108	0.3
170.08057	0.3
172.09647	1.2
173.05957	0.2
173.15359	1.0
203.07045	0.9
211.11143	0.3
223.17007	0.3
227.07008	0.3
241.14381	0.3
241.17915	0.4
245.08185	0.3
249.07524	21.0
263.09094	0.4
267.08582	9.5
301.14145	0.2
302.00226	0.2
309.09155	0.2
309.13016	0.2
385.12842	0.3
438.21753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01864	0.3
57.03418	1.1
62.71326	0.2
69.03417	6.2
69.07044	0.2
71.04977	1.4
73.02898	0.4
77.03925	0.3
79.05473	3.6
81.03402	20.8
81.07034	0.8
85.02896	5.7
91.05491	0.3
92.09043	0.9
93.07009	0.2
95.04953	5.5
97.02875	9.8
99.04437	2.9
105.03376	100.0
106.03715	0.2
109.02864	9.6
112.19166	0.2
113.02332	0.3
117.06944	0.2
123.04402	6.7
125.02308	0.8
127.03904	5.4
128.06203	0.7
129.07001	1.2
131.08551	1.6
137.02313	0.3
141.07019	0.4
144.05678	0.7
145.04941	2.0
145.06485	0.2
157.06490	0.4
159.08035	2.9
161.09662	0.4
167.07011	0.7
170.07249	0.3
171.08093	0.3
175.07512	0.2
187.07553	2.0
189.09062	0.9
203.06992	0.4
204.07814	0.9
216.07851	0.2
219.10260	0.2
231.10217	0.2
241.50302	0.2
249.07562	22.3
249.11198	12.5
267.08609	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	437.3619
Annotation	5beta-cholestan-3alpha,7alpha,12alpha,24(S)-tetrol
Peak:m/z	Relative Intensity
50.12220	4.9
55.05498	33.2
57.07057	8.0
67.05488	68.9
69.07061	72.0
79.05466	30.9
81.07039	100.0
83.08592	23.5
88.22243	5.3
91.05453	32.6
92.08871	39.0
92.11523	5.8
93.07013	56.5
95.08572	84.7
97.10162	7.7
101.40737	5.0
105.07035	22.2
106.68361	5.4
107.08582	25.1
109.10136	34.2
119.08549	26.5
121.10131	25.1
123.11698	8.5
128.73840	6.3
130.97647	5.5
131.08545	9.5
133.10124	22.5
135.11613	9.4
139.11143	5.3
145.10120	7.9
147.11656	10.1
157.10107	7.6
215.22734	4.5
221.44756	5.4
249.51509	6.1
263.23544	13.0
401.33966	29.4
419.35001	60.6
427.99603	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	437.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99649	0.9
51.87093	0.9
54.81970	1.0
55.05506	10.4
57.07056	2.2
67.05492	10.3
69.07059	16.3
79.05467	7.4
81.07037	28.9
83.08608	8.3
91.05449	11.6
92.08960	2.7
92.31314	1.0
93.07032	22.8
95.08578	51.0
97.10178	4.7
105.07006	37.3
107.08577	41.5
109.06496	1.3
109.10135	28.5
111.21429	1.2
117.07021	6.3
119.08556	68.8
121.10111	30.6
123.08060	1.3
123.11681	7.3
125.09629	1.4
131.08548	18.4
133.10104	51.1
135.11668	13.0
137.13266	2.0
143.05609	1.3
143.08536	7.0
144.09305	1.5
145.10107	41.5
147.11658	36.1
149.13251	7.6
153.09096	4.6
157.10107	5.3
159.11668	37.5
161.13225	23.5
163.14842	5.8
167.10616	2.7
169.10051	1.8
171.11685	8.5
172.12407	2.1
173.13226	14.7
174.13992	1.8
175.14769	13.4
177.16359	13.0
183.11674	2.6
185.13219	9.1
187.14755	27.3
189.16350	100.0
191.17970	2.3
199.14835	9.7
201.16362	29.6
203.17941	48.3
205.19514	6.5
213.16310	7.0
215.17905	16.1
225.16278	1.7
229.19420	1.8
239.17906	2.4
241.19528	1.4
243.20964	2.2
247.16847	2.7
249.18448	6.7
253.19514	1.7
271.18231	1.2
285.18506	2.0
295.24203	2.0
349.28998	4.3
391.33502	10.5
395.29510	6.8
437.34039	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	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	0.8
54.82028	1.0
55.05314	0.9
55.05505	12.8
57.07062	7.4
61.50116	0.8
67.05492	21.1
69.07056	25.7
76.48559	0.8
79.05466	10.6
81.07039	52.7
83.08595	9.6
91.05473	8.9
92.08823	5.3
92.64662	0.9
93.07021	23.4
95.04891	0.9
95.08588	100.0
97.06497	1.1
97.10149	4.8
105.03402	0.9
105.07007	23.2
107.08582	32.2
109.06557	1.0
109.10139	38.9
117.07017	4.1
119.08556	44.0
121.10134	23.5
123.11691	16.5
129.06989	3.8
131.08540	15.8
133.10118	22.4
135.11682	13.7
137.13222	13.8
142.07837	1.2
143.08525	9.7
144.09222	1.0
145.10103	40.4
147.11676	21.3
149.13229	14.6
151.14818	9.3
155.08533	2.0
156.09341	1.3
157.10092	11.9
159.11682	17.8
160.12486	1.0
161.13225	14.3
163.07590	1.2
163.14798	6.7
169.10075	6.5
171.11659	17.9
173.13235	18.0
175.11328	0.9
175.13342	1.9
175.14781	27.4
177.16393	4.6
183.11565	6.3
185.13199	7.6
187.14777	8.9
189.16360	12.8
191.17978	7.0
195.11691	1.9
197.13190	6.4
199.14790	12.4
201.16385	17.7
203.17935	12.5
209.13203	1.7
211.14787	1.9
212.15689	1.1
213.16330	10.6
215.17908	8.1
217.12247	1.8
217.19472	3.3
221.15370	1.4
225.16388	5.2
227.17818	6.3
229.19435	3.7
231.17406	1.3
237.16441	1.6
239.17931	15.3
240.18872	1.0
241.19466	26.5
243.21013	6.1
247.17018	3.6
253.19437	7.6
255.21010	4.3
259.16910	3.9
259.20587	4.9
261.18112	1.2
265.19595	1.2
267.20871	6.0
269.22668	3.6
279.21021	1.8
281.22614	1.5
285.18475	11.9
287.20029	4.8
293.22583	1.7
295.24124	4.0
299.20053	6.8
307.24194	1.8
313.21625	3.7
321.25540	1.5
335.27274	4.9
349.28839	1.2
353.24603	1.5
367.26242	1.1
391.33536	19.5
419.33109	1.3
437.34076	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79211	1.7
55.05494	15.5
57.07056	3.8
59.38976	1.5
67.05482	18.2
69.07052	21.1
79.05462	12.3
81.07037	42.0
83.08609	11.5
87.30695	1.8
91.05436	14.7
93.07029	32.1
95.08587	51.0
97.10159	3.3
102.06227	2.0
105.07021	43.5
107.08564	42.0
107.56766	1.8
107.81911	1.8
109.10145	28.4
117.07011	4.3
119.08561	80.3
121.10117	41.2
123.11683	8.2
125.09605	2.1
129.07051	2.4
131.08551	18.9
133.10109	56.1
135.11647	18.4
137.13219	3.9
143.08539	11.1
145.10083	44.3
147.11652	46.4
149.09605	2.7
149.13228	9.4
153.09070	2.8
157.10098	8.2
158.10895	2.4
159.11652	44.6
160.12479	2.6
160.95233	1.8
161.13239	28.7
163.14758	4.3
169.10031	2.5
171.11745	3.3
173.13225	18.0
174.80829	2.0
175.14743	17.9
177.16324	15.8
183.11551	3.4
185.13144	2.1
187.14845	16.4
189.16342	100.0
191.17862	3.4
199.14822	7.9
201.16335	47.2
203.17914	50.8
213.16351	12.1
215.17917	20.7
217.19333	2.5
225.83253	2.0
239.18011	2.5
241.19528	2.6
247.16931	3.1
285.18427	3.5
295.56696	1.9
339.52493	2.2
391.33401	11.9
437.34036	61.3
440.09750	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28098	2.0
55.05503	13.8
57.07058	4.9
67.05488	20.1
69.07059	21.1
76.56533	4.0
79.05483	6.3
81.07044	49.8
83.08611	10.4
88.19292	2.6
91.05457	11.8
92.08980	3.7
93.07019	27.9
94.92542	2.2
95.08592	100.0
95.58408	2.3
105.07021	27.1
106.93013	2.4
107.08591	35.6
109.10143	40.0
117.06979	2.9
119.08578	55.8
120.90624	2.8
121.10110	28.6
123.11690	16.6
125.78807	2.3
131.08569	23.2
133.10104	31.8
135.11685	11.6
137.13206	12.2
139.56866	2.6
143.08563	11.0
145.10114	47.9
147.11667	20.3
149.13263	10.8
151.63712	2.8
153.08997	3.3
155.08521	2.9
156.09302	3.5
157.10136	15.6
159.11684	22.9
161.13239	18.5
163.07547	5.2
163.14804	5.8
169.10152	5.5
171.11676	25.8
173.13216	24.5
175.14850	32.3
177.16429	10.7
183.11652	5.9
185.13246	3.4
187.14767	16.5
189.16345	21.1
191.17969	5.5
199.14799	12.6
201.16374	32.1
203.17915	18.3
213.16365	12.4
215.17949	6.1
217.19624	3.3
225.16277	3.2
229.19379	3.4
239.17897	11.0
241.19589	12.5
245.15341	2.9
247.17087	8.4
253.19511	4.1
255.21114	4.1
285.18546	5.2
353.24557	3.8
391.33392	17.9
437.34113	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	437.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22621	2.6
53.00301	2.7
53.09216	2.6
55.01862	3.0
55.05499	36.0
57.03420	3.3
57.07053	5.2
58.66522	2.6
67.05494	67.2
69.07055	54.0
77.07194	2.6
79.05468	33.1
81.07037	81.0
83.08589	17.2
91.05466	33.2
92.09158	9.6
93.06486	4.4
93.07023	74.2
95.08591	62.9
105.07016	69.5
107.08580	94.2
109.06508	4.0
109.10143	100.0
117.06992	15.4
119.08553	92.5
121.10130	89.9
123.11681	29.6
128.06233	4.0
129.07011	11.3
131.08540	37.5
133.10109	72.9
135.08018	6.7
135.11708	25.4
137.09581	5.7
137.13272	3.6
142.07733	13.1
143.08580	33.8
144.09346	4.7
144.43680	2.9
145.10112	51.6
147.07999	3.8
147.11670	38.3
149.09541	4.6
149.13213	34.3
151.11136	6.9
155.08572	13.1
156.09312	11.4
157.10089	48.2
158.10831	5.1
159.08000	3.3
159.11668	49.1
161.09557	5.1
161.13246	27.8
163.14732	5.4
166.07713	3.3
167.08578	4.3
168.09303	3.6
169.10072	24.6
170.10893	11.7
171.11636	29.3
173.09691	3.2
173.13229	38.8
175.11185	5.2
175.14813	51.3
177.12674	12.5
177.16319	4.7
179.08481	6.3
181.10110	17.6
182.10899	12.6
183.11653	34.6
185.13187	30.3
185.39299	2.7
187.14745	28.3
189.12708	12.2
189.16324	15.1
193.10085	15.9
193.15883	21.5
194.10861	10.8
195.11678	30.8
196.12561	4.2
197.13240	27.0
199.14787	19.5
201.16365	12.3
203.17953	5.3
205.15959	4.6
206.10899	11.5
207.11688	22.6
208.12459	15.1
209.13252	22.8
211.14766	17.9
213.16324	12.3
215.14285	5.2
215.17909	6.0
219.11606	5.4
220.12550	4.0
221.13277	21.7
222.14021	12.5
223.14769	35.8
225.16328	19.4
227.18004	6.9
229.19408	4.0
231.21130	5.8
233.13237	6.6
234.13979	6.2
235.14796	23.2
236.15733	3.5
237.16362	20.5
239.17897	13.2
241.19470	4.2
249.16351	29.2
251.17812	14.2
253.19150	9.3
255.20879	4.2
261.16309	4.8
263.17844	13.9
265.19455	7.2
267.17438	6.5
268.04758	3.5
269.19034	3.2
271.20483	6.8
277.19437	19.1
281.18881	3.3
289.19370	5.4
291.21005	10.6
293.22348	3.7
295.20462	5.1
299.19736	3.5
305.22644	7.1
337.25040	14.7
355.26236	6.7
375.30557	3.9
391.33551	3.7
401.31943	56.9
419.33011	76.9
437.18976	11.4
437.28680	3.8
437.34094	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	437.341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.9
57.07054	0.8
65.03921	1.1
66.94662	0.5
67.05493	48.0
68.04373	0.6
69.03420	1.0
69.07053	8.3
79.05484	2.5
81.07040	18.3
83.04958	2.4
83.08582	1.3
89.05969	1.0
91.05457	1.2
92.08867	5.4
93.07026	4.5
95.08589	6.4
95.09116	0.7
96.44964	0.6
97.06488	0.8
105.07024	3.6
107.08590	6.5
109.10141	100.0
119.08569	5.5
121.10128	3.0
123.08066	1.0
133.10097	4.2
135.11693	1.4
141.09099	1.4
145.10112	1.5
147.11665	1.3
149.13199	0.8
157.10098	2.4
159.11676	2.7
161.13263	0.9
169.10167	0.8
171.11783	1.3
173.13177	0.9
175.14787	4.4
197.13272	0.8
200.32237	0.6
223.23679	0.6
303.96634	0.7
319.33185	0.7
380.27832	0.7
437.34073	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88747	0.6
55.01864	2.8
55.05499	8.3
57.03421	3.1
57.07061	2.7
59.04974	0.8
67.05148	0.9
67.05489	25.4
69.03411	9.4
69.07047	16.2
70.06571	16.7
70.52246	0.6
71.04974	12.3
76.90611	0.7
79.05036	0.9
79.05470	10.0
80.91034	0.6
81.03387	4.4
81.07031	32.4
82.07359	1.5
83.04954	1.6
83.08595	5.2
85.02885	13.0
85.06525	32.2
86.06057	0.7
86.06829	0.9
87.00803	2.6
90.50632	0.6
91.05457	6.8
93.07018	32.4
93.91691	0.6
94.07348	1.0
95.04958	1.1
95.08578	100.0
96.08910	1.3
97.02853	5.7
97.06505	5.8
97.10143	1.7
99.04426	3.0
99.08054	6.9
105.01849	2.5
105.03349	2.7
105.07003	18.8
106.07314	1.6
107.08570	34.3
108.08885	1.5
109.02853	2.9
109.06486	1.4
109.09387	1.5
109.10139	42.2
111.04420	0.8
111.08045	3.8
113.07102	16.4
113.09612	5.1
115.12362	0.6
116.04939	3.5
117.06950	1.5
119.08550	22.5
120.08852	1.2
121.09258	1.3
121.10110	32.3
123.08040	3.2
123.11686	6.7
125.05948	1.1
125.09572	6.9
127.03883	9.0
127.11169	8.5
128.11513	0.8
131.08551	3.1
133.10114	12.6
135.08022	1.5
135.11678	16.6
137.09612	1.0
137.13239	1.3
139.11113	2.8
141.06558	3.5
143.10660	0.8
145.04944	1.6
145.10088	4.2
146.10437	3.5
147.04391	0.8
147.08072	0.7
147.11670	14.1
149.09583	1.4
149.13223	1.3
150.05428	0.9
151.03918	0.7
151.11165	1.2
153.09158	0.7
153.12704	19.0
159.02872	0.7
159.07597	0.9
159.11633	3.2
160.12015	1.1
161.09540	0.7
161.13213	9.8
162.13535	0.7
163.14754	5.7
165.12721	2.9
167.07086	0.8
170.08087	10.0
175.14767	5.1
177.12680	0.7
177.16368	4.7
181.04924	1.7
181.15845	0.9
182.05237	0.8
201.16440	1.3
202.16614	1.3
203.14268	1.4
203.17943	21.8
219.17413	1.6
220.17693	1.3
221.15285	3.6
221.18991	14.0
239.16400	9.5
239.20000	18.3
256.11417	1.0
256.19312	0.8
257.17456	3.8
257.21011	1.1
274.10510	1.2
285.10770	6.2
295.36874	0.7
353.35544	0.8
363.75180	0.9
433.22440	0.8
436.17587	0.7
437.14169	6.1
437.21442	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	436.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01887	0.9
52.81730	0.7
53.03921	1.9
55.01852	3.3
55.05507	9.7
57.03416	3.4
57.07068	2.0
59.04979	3.3
61.02889	1.1
64.33389	0.8
65.03925	0.9
67.05482	14.0
69.03415	13.2
69.07057	10.9
71.04974	5.8
73.02854	0.9
79.05480	11.1
81.03394	8.3
81.07037	45.7
83.04990	2.5
83.08602	4.4
85.02892	33.5
85.06528	7.0
87.00809	7.6
91.05453	15.0
92.09167	1.0
93.07016	39.8
95.04950	6.5
95.08585	44.3
96.08900	1.2
97.02872	12.5
97.06503	3.9
97.10172	1.7
99.04427	4.9
99.08067	2.0
101.05997	3.5
105.01831	7.8
105.03384	4.4
105.07012	33.2
106.07389	1.0
107.04953	1.1
107.08579	49.5
109.02876	6.0
109.06495	4.6
109.10141	36.5
111.08070	1.7
113.02322	1.9
117.06984	1.5
119.08562	28.3
121.06479	1.7
121.10120	43.0
123.04406	0.9
123.08022	4.7
123.11684	85.7
124.12024	0.9
125.09612	4.2
127.03899	11.7
127.07516	3.5
131.08528	5.6
133.10106	24.4
134.10526	0.9
135.07996	1.1
135.11652	17.4
137.09575	3.5
137.13226	3.9
139.11195	0.9
145.04948	11.1
145.10114	6.2
146.10521	0.9
147.11662	72.2
149.13217	3.6
151.11156	2.0
153.12762	1.2
157.10074	1.2
159.02866	0.9
159.11664	4.5
161.13216	15.5
163.06050	6.5
163.07281	1.1
163.11182	3.3
163.14809	12.1
165.12720	14.3
167.07004	1.5
167.10542	1.2
168.07440	1.1
175.14777	4.7
177.16342	4.4
181.04900	1.3
181.15860	1.4
195.17253	1.2
200.18440	0.8
201.16435	1.2
203.17920	100.0
221.15327	4.6
221.18974	60.8
231.04897	3.7
239.12839	1.3
239.16388	5.2
239.19894	1.4
257.13840	1.2
257.17288	3.9
263.09344	0.9
379.28534	1.0
418.15079	1.6
437.14212	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	436.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38574	0.1
51.02374	0.2
53.03939	2.0
55.01863	0.2
55.05512	1.7
55.94505	0.1
57.03431	2.1
57.07064	0.4
57.15272	0.1
59.05001	0.5
61.02902	0.8
67.05477	1.8
67.07896	0.1
68.05806	0.3
69.03415	7.4
69.07054	2.1
70.06589	2.4
71.01336	0.3
71.04974	4.1
71.06898	0.3
72.05312	0.2
73.02897	0.4
77.03899	0.5
79.05475	7.0
80.05791	0.7
81.03401	3.7
81.07037	8.5
82.07377	1.0
83.01326	0.3
83.08620	1.1
85.02892	8.0
85.06519	1.0
87.04449	0.2
91.05459	2.0
92.05786	0.3
92.08742	0.2
92.09222	0.2
93.07023	5.8
94.07354	1.0
95.04943	4.7
95.07664	0.2
95.08578	6.5
96.08922	0.9
96.71242	0.1
97.02869	16.1
97.06514	0.8
97.10152	0.3
98.03204	0.4
99.04447	2.3
99.08070	0.8
101.02370	0.6
105.03374	100.0
105.07007	5.3
106.03008	0.2
106.03699	2.8
106.07323	1.2
107.04868	0.2
107.08578	7.2
108.08899	1.2
109.02872	2.2
109.06513	0.2
109.09388	0.4
109.10139	5.1
110.10471	0.9
111.08048	0.2
111.11670	0.2
112.07569	1.9
113.07919	0.8
117.07017	0.7
119.08562	4.2
120.08898	0.6
121.10117	3.1
122.10471	1.0
123.04404	6.2
123.08056	0.2
123.10871	0.3
123.11686	2.9
125.09557	1.2
125.43649	0.2
126.09949	0.3
127.03890	5.0
127.11179	0.8
131.08545	0.7
132.08882	0.2
133.10106	7.3
134.10428	1.5
135.10820	0.4
135.11676	8.3
136.12032	0.3
137.13237	0.6
139.11153	0.3
140.07092	0.3
143.10654	1.2
144.10956	0.3
145.04932	3.8
145.10165	1.2
145.11153	0.2
146.10393	0.6
147.10797	0.2
147.11703	2.6
148.12074	0.2
149.13304	1.2
150.13628	0.7
151.11201	0.2
152.07021	1.5
153.12784	0.3
157.12231	0.3
159.11674	0.7
160.12000	0.3
161.13269	1.3
163.11119	0.2
163.14830	0.2
165.12718	0.2
167.14319	1.2
168.14626	1.1
173.13359	0.2
175.14880	0.3
177.16388	1.6
191.17870	0.2
201.16354	0.7
202.16667	0.6
203.17957	4.6
219.17464	1.5
220.17761	1.5
221.19043	5.1
231.06517	0.4
239.20088	2.5
249.07547	4.7
257.21091	0.3
267.08578	20.8
268.08945	1.3
275.70825	0.2
376.84619	0.2
418.53284	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01859	3.6
55.05503	22.2
57.03408	3.8
57.07068	8.8
57.44408	0.8
57.54208	0.8
59.04996	1.1
61.02902	5.0
67.05492	32.8
69.03410	12.9
69.07053	56.3
69.66200	0.8
71.04975	7.2
71.08585	1.0
73.06508	1.7
79.05473	17.0
81.03399	8.9
81.07037	97.1
83.04967	6.4
83.08611	11.4
85.02420	1.7
85.02888	31.4
85.06499	2.2
87.04467	1.2
91.05451	16.0
92.08949	1.5
93.07026	41.6
95.04935	5.5
95.08584	100.0
97.02882	9.6
97.06496	6.1
97.10143	10.1
101.05955	3.4
105.03368	30.2
105.07011	44.5
107.08576	46.0
109.02857	5.6
109.06499	5.8
109.10139	73.6
111.08064	10.5
111.11709	8.9
115.07542	4.3
119.04891	1.1
119.08565	40.1
121.10123	33.0
123.04431	2.1
123.08034	4.8
123.11682	30.6
125.09579	5.3
127.03886	4.3
127.07516	0.9
131.08521	1.8
133.09167	1.5
133.10103	26.6
135.07977	1.1
135.11682	16.6
137.09598	4.5
137.13223	13.0
139.11116	1.8
141.09093	1.5
145.04968	2.2
145.10075	4.2
147.04398	5.7
147.11668	43.4
148.04770	1.9
149.13232	8.3
151.11183	1.5
151.14796	1.5
155.10628	4.1
159.11690	2.2
161.13197	15.5
163.14801	15.7
165.12729	5.2
169.12265	0.9
175.14771	6.1
177.16356	2.1
179.17868	1.4
191.17867	5.1
203.17920	60.3
217.66211	0.9
221.18979	26.0
239.20007	16.3
246.55013	0.9
249.07581	2.2
257.21017	4.2
267.08542	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	436.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
54.60516	0.9
55.01851	1.5
55.05505	6.8
57.03425	6.7
57.07065	4.3
59.04991	1.6
61.02910	4.8
65.03960	1.1
65.91933	0.8
67.05492	5.3
68.23024	1.1
69.03422	22.9
69.07060	7.6
70.06573	4.6
71.04986	2.0
73.02901	6.4
76.55606	1.1
79.05480	9.5
81.03422	8.2
81.07043	12.5
83.04972	6.9
83.08631	1.3
85.02890	25.8
86.09696	1.4
87.04443	1.3
89.03887	1.2
89.98825	1.0
91.05466	12.2
92.08990	6.7
93.07022	25.0
95.04957	7.5
95.08585	12.5
97.02892	9.6
97.06524	2.5
99.04439	5.8
105.03388	2.4
105.07024	24.7
107.04945	48.8
107.08578	27.6
109.02840	2.5
109.06506	8.5
109.10137	5.9
111.04449	1.4
111.08121	1.2
112.07635	3.2
115.03933	1.4
117.03397	1.8
117.07021	10.2
117.26164	1.2
119.04916	1.2
119.08563	32.7
121.02865	10.9
121.06483	2.2
121.10128	16.0
123.04406	1.7
123.08047	6.4
123.11707	2.3
125.05945	1.6
127.03909	7.0
128.06212	2.0
129.06982	10.7
130.07787	3.9
131.08545	54.9
133.06462	2.0
133.10112	21.5
135.04356	4.0
135.08081	10.2
135.11688	5.7
137.05980	4.0
137.09560	1.4
139.03914	7.5
140.07018	1.1
142.07756	5.0
143.08530	15.6
144.09361	4.9
145.02876	7.2
145.04895	2.0
145.10118	21.1
147.08072	10.0
147.11673	9.8
149.05920	1.4
149.09598	2.4
149.13264	1.9
151.07521	4.0
151.11171	2.0
155.08522	4.0
157.10071	10.8
158.10867	11.9
159.07976	1.9
159.11703	6.3
161.05939	2.2
161.09619	4.3
161.13188	7.1
163.03867	12.9
163.11188	2.0
165.09085	17.2
167.06937	1.5
168.36218	1.0
170.10878	10.4
173.13231	100.0
175.07468	2.5
175.11111	1.1
175.14783	2.5
177.05449	6.8
177.09163	2.7
179.06987	7.8
181.05008	1.6
181.12280	1.8
185.13246	18.3
191.14281	52.8
193.08527	1.6
193.12268	1.4
203.07027	1.4
203.10730	1.8
203.14297	22.3
209.15395	1.7
221.02930	4.7
221.08075	8.6
221.11722	5.5
221.15337	13.1
230.40596	1.2
239.12764	6.6
239.16457	4.4
257.13779	4.3
304.50266	1.3
383.20352	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.2
53.03722	0.2
53.03943	4.0
55.01860	0.4
55.05501	0.8
57.03421	0.9
57.07054	0.2
61.02900	0.3
61.98830	0.1
67.05478	0.8
69.03416	7.1
69.07053	1.5
71.04968	1.4
73.02905	0.3
77.03909	0.7
78.47115	0.2
79.05477	5.3
81.03400	16.8
81.07037	2.1
83.04967	0.2
83.08617	0.4
85.02890	6.5
85.06539	1.5
91.05466	0.8
92.08692	0.4
92.09277	0.4
93.07024	1.0
95.04948	5.5
95.08582	2.4
97.02871	9.7
97.06496	0.3
97.10135	0.2
99.04441	2.2
99.08064	0.2
105.03377	100.0
105.06947	1.1
106.03696	0.3
107.04944	0.8
107.08595	1.4
108.04497	0.6
109.02864	8.9
109.06577	0.2
109.10155	1.3
119.04942	0.2
119.08559	1.0
121.10131	1.1
123.04410	8.1
123.11687	0.6
127.03899	5.5
132.82246	0.2
133.10120	1.0
135.04398	0.3
135.11681	0.6
145.04906	1.3
147.04408	0.7
147.11690	0.7
148.04788	0.2
149.13210	0.3
153.12807	0.3
159.11632	0.2
161.13278	0.2
163.14774	0.2
171.37674	0.2
179.14291	0.2
203.17906	0.8
221.19008	0.9
231.06516	0.2
239.20032	0.9
249.07527	20.0
257.21176	0.3
267.08588	9.9
415.09894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
54.82001	0.3
55.01860	1.6
57.03426	6.6
57.53075	0.3
61.02905	0.7
63.29116	0.3
69.03407	3.9
70.03834	0.3
71.04974	0.3
73.02895	0.6
75.04454	1.9
79.05468	2.2
81.03403	1.6
83.04960	0.4
85.02419	0.6
85.02889	8.7
87.32487	0.3
91.05458	0.6
92.08652	0.7
92.09270	1.5
93.07023	0.4
95.04943	1.2
97.02860	3.3
99.04410	1.4
103.05456	1.3
105.03379	9.0
105.07010	26.5
107.04927	1.6
109.02875	1.4
109.06509	1.6
117.06947	0.7
119.08567	0.6
122.03617	0.7
123.04398	1.1
127.03872	1.3
131.04823	0.4
133.06467	52.6
134.06812	0.4
135.04482	0.3
135.08018	0.7
137.05956	100.0
145.04897	0.7
147.07965	0.4
151.07564	0.5
153.07515	0.5
161.09584	0.3
163.07500	3.9
165.09076	23.9
175.07489	3.8
175.11148	0.4
177.09062	0.8
180.07794	0.3
181.08583	2.2
182.09357	0.6
182.32130	0.4
183.10120	9.5
203.10701	2.0
209.11720	1.6
221.11765	1.8
239.02380	0.3
239.09268	0.3
239.12602	2.3
257.13779	36.2
267.08600	1.2
352.74728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3465
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
55.01856	0.4
55.05496	0.6
64.37094	0.3
66.33277	0.3
67.05473	0.5
69.07053	0.7
81.07021	0.8
84.70959	0.3
87.87783	0.3
89.20738	0.3
92.08886	2.6
93.06994	0.6
95.08572	1.9
99.04424	4.4
105.06979	0.5
109.10100	0.6
111.04408	3.3
121.10110	0.5
125.05967	11.4
128.15916	0.4
132.65314	0.3
141.05447	4.8
145.10089	0.4
153.05441	100.0
160.51080	0.4
177.05554	0.6
230.79604	0.4
417.33557	4.3
435.34631	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	435.383
Annotation	Taiwaniasterol D
Peak:m/z	Relative Intensity
55.01852	8.0
55.02093	1.1
55.05500	1.1
57.07071	3.2
69.07046	1.4
81.07034	1.6
92.09170	1.3
95.08576	1.5
97.02868	24.9
99.04453	1.6
105.53487	1.1
105.57587	1.3
114.09177	1.4
115.03919	13.7
123.08012	1.5
133.21252	1.2
141.20178	1.4
151.07523	34.2
165.09096	17.0
169.08583	28.5
179.10654	6.5
193.12183	5.4
389.04080	1.3
417.37198	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	435.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57013	1.7
51.16134	1.9
53.03931	2.9
55.01850	2.2
55.05521	17.0
55.05744	3.0
57.03414	3.9
57.07055	2.0
59.04966	2.3
66.86633	1.7
67.05482	14.2
69.03417	38.3
69.07060	16.2
71.04978	69.7
73.02893	2.0
79.05469	25.8
81.03381	5.1
81.07034	74.7
83.04955	4.3
83.08605	4.5
85.02892	19.3
85.06516	11.4
91.05460	21.8
93.07026	45.6
94.07373	2.3
95.04944	9.5
95.08591	26.5
97.02875	4.2
97.06506	12.4
97.10157	3.3
99.08070	17.0
105.03353	2.7
105.07019	53.5
106.07340	2.2
107.08580	47.2
108.08858	2.5
109.06498	21.0
109.10145	35.9
110.10460	2.2
111.08037	3.9
117.06996	5.2
119.08549	27.5
121.10130	31.5
123.08052	4.8
123.11676	14.3
125.09618	19.7
127.07520	3.2
127.10293	3.7
127.11171	67.8
130.07719	1.9
131.08542	20.0
133.10106	77.1
135.11676	9.5
137.09608	3.2
139.11179	8.1
143.10680	15.6
145.10117	39.4
146.10466	8.4
147.11685	13.1
149.13210	4.9
151.11156	68.9
153.12688	2.5
155.10643	18.8
159.11716	16.8
161.13225	8.9
169.82823	2.1
173.13210	3.5
176.99045	2.0
191.39746	2.1
201.16377	23.7
202.16742	8.6
204.40959	2.2
219.17458	22.3
220.17841	4.0
237.16063	3.6
237.18456	100.0
255.19569	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.4
53.03940	1.7
54.81675	0.7
55.01861	2.8
55.05507	12.7
57.03191	0.7
57.03432	9.1
57.07051	1.3
59.04997	0.8
61.02903	3.5
65.03922	1.1
67.05498	8.6
67.10966	0.6
67.64459	0.6
69.03419	9.9
69.06750	0.7
69.07059	9.8
71.04612	0.9
71.04978	21.3
73.02911	11.8
79.05479	10.6
81.03394	5.0
81.07040	20.4
82.03727	0.9
83.04951	5.7
83.08594	3.1
85.02887	15.9
85.06528	8.1
86.03241	1.2
87.00806	2.8
87.04469	0.7
91.05469	16.1
92.08780	3.5
93.07025	18.6
95.04941	5.1
95.08589	14.3
97.02876	8.8
97.06509	4.1
97.10130	2.7
98.03196	1.4
99.04440	1.3
99.08069	4.4
105.01819	0.9
105.03369	5.6
105.07018	45.1
106.07310	1.1
107.04932	3.7
107.08583	19.1
108.08868	1.1
109.02849	3.2
109.06490	3.9
109.10133	15.0
111.08049	3.9
113.09718	0.7
115.07478	0.9
117.06995	6.6
119.04963	0.8
119.08556	14.4
121.02852	2.9
121.10128	19.7
123.04459	0.9
123.08029	1.7
123.11669	4.5
125.09606	14.4
127.03867	4.0
127.11169	7.4
129.06985	0.9
129.09085	1.5
129.25778	0.7
130.07761	0.8
131.08557	11.0
133.10114	100.0
135.11662	10.4
137.02348	5.1
137.05930	0.8
137.09601	1.0
138.02826	0.8
139.11140	1.5
142.31544	0.7
143.08453	1.2
143.10680	8.4
145.04938	2.5
145.10112	19.0
147.11690	8.2
149.13214	5.2
150.05537	1.2
151.11191	5.0
153.01802	2.8
153.12683	1.5
159.11659	11.8
160.12071	0.8
161.05876	0.8
161.13210	4.2
163.11162	1.2
165.01779	1.1
167.06975	3.4
167.14340	0.8
167.21574	0.7
171.06535	1.0
175.14777	1.1
178.66100	0.8
180.75923	0.9
181.04915	4.3
183.02939	0.8
191.02849	0.8
193.15872	1.5
201.05553	0.9
201.16370	15.9
211.17027	1.2
219.17419	16.3
220.17686	1.4
229.04921	3.9
233.08081	1.3
237.18449	29.4
255.19466	1.1
257.04425	1.4
287.18561	1.0
303.04959	54.8
304.05255	2.6
331.11884	0.8
346.67291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.8
53.03934	3.3
55.01863	8.7
55.05508	35.4
57.03435	16.5
57.07055	3.5
57.76811	1.8
59.04967	2.8
61.02900	2.5
61.25072	1.5
65.03924	2.1
65.22598	1.6
67.05496	22.6
69.03409	27.1
69.07053	20.8
71.04975	58.7
73.02924	2.3
79.05470	23.0
80.34111	1.9
81.03413	14.3
81.07039	65.6
82.07374	2.8
83.04961	18.1
83.08608	10.0
84.10464	1.8
85.02885	37.0
85.06537	18.0
86.03219	2.6
87.00818	8.7
91.05465	22.6
92.09003	9.2
93.07015	53.6
95.04927	20.3
95.08580	40.1
97.02866	13.4
97.06511	12.1
99.08066	10.0
101.06009	2.8
105.03370	13.3
105.07009	61.3
106.03713	8.6
106.07376	2.4
106.13783	1.9
107.04941	7.8
107.08584	47.2
109.02876	8.4
109.06519	19.7
109.10142	37.7
111.08047	9.7
117.07014	8.3
119.04852	1.7
119.08534	31.6
119.32940	2.0
120.08916	2.1
121.06480	3.9
121.10120	49.7
123.04474	2.4
123.08038	9.4
123.11678	11.3
124.07616	2.2
125.09604	18.4
127.03899	8.3
127.11166	38.7
128.04256	2.0
130.07756	2.7
131.08528	29.0
132.08852	2.3
133.10107	92.6
134.10478	2.0
135.07996	4.1
135.11696	18.6
137.02338	3.5
137.05948	7.2
137.09615	4.3
138.06313	4.2
139.11140	12.1
143.10690	14.3
145.04863	3.0
145.08986	2.4
145.10109	61.5
146.10483	7.5
147.11664	19.0
149.13251	4.4
151.11159	38.1
152.07068	4.1
153.01839	3.3
153.12752	8.3
155.10674	8.1
159.11647	24.4
160.12035	3.2
161.13213	11.4
163.11174	4.1
166.02635	2.2
167.06999	15.3
169.08588	8.6
170.09013	6.1
173.13194	7.3
175.14778	3.2
177.12730	2.8
181.04903	11.9
189.16446	2.6
191.18016	2.8
201.16385	22.5
202.16675	7.9
211.07521	1.9
219.17409	29.6
220.17775	3.1
229.04922	4.3
237.18457	100.0
238.18736	2.5
255.19565	17.1
303.04919	68.4
304.05066	3.3
343.15332	2.3
386.98154	2.1
447.41171	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29155	0.7
51.02375	0.7
53.03931	4.1
53.83624	0.6
55.01851	4.5
55.05500	7.8
57.03416	4.1
57.07057	1.9
61.02900	1.3
62.06075	6.0
64.20682	0.6
64.82795	0.7
65.03934	9.2
65.04259	0.9
67.05492	13.0
69.03410	10.6
69.07056	6.1
71.04977	10.2
73.02853	0.8
79.05473	24.3
81.03409	6.7
81.07038	29.2
82.04170	3.4
83.04933	4.0
83.08606	2.9
85.02410	1.3
85.02884	21.2
85.06519	6.0
86.03183	0.7
87.04449	0.8
91.05460	17.0
92.05766	1.3
93.03368	3.1
93.07016	21.2
95.04955	11.2
95.08583	14.7
97.02868	5.4
97.06487	8.9
97.10117	1.0
97.87900	0.8
99.04410	3.6
99.08072	1.2
101.05994	1.1
103.05423	1.9
105.03362	13.1
105.07009	27.6
106.03690	3.9
106.07343	1.0
107.04940	34.3
107.08573	19.5
108.02054	1.3
108.08865	0.9
109.02845	1.8
109.06483	4.7
109.10130	12.6
110.03635	4.4
111.04405	3.1
111.08046	3.4
113.05952	0.9
115.05428	6.0
117.07002	12.4
119.04883	3.5
119.08572	12.7
119.09401	1.1
121.02785	0.9
121.06442	5.1
121.10119	10.9
122.03667	0.9
122.10468	1.0
123.04408	5.4
123.08010	4.9
123.11700	5.5
124.05196	6.5
125.05982	6.7
125.09607	7.4
127.03864	1.7
127.05364	1.1
127.11116	5.1
128.06219	3.4
129.06973	3.7
131.04884	5.9
131.08537	7.3
132.05597	1.2
133.02824	3.2
133.06482	4.4
133.10110	27.7
135.08022	0.9
135.11670	4.4
137.05939	3.0
137.09595	3.3
138.03088	1.2
139.03870	0.8
139.07500	1.2
141.06967	1.4
142.02580	5.0
143.04935	0.8
143.08453	1.3
143.10654	6.7
144.05672	4.3
145.04872	1.0
145.05392	0.9
145.06477	14.1
145.10088	13.3
147.04369	5.4
147.07964	1.7
147.11659	10.9
148.12001	3.1
149.05960	4.6
149.09561	1.6
149.13225	3.2
151.07484	0.8
151.11150	6.4
152.04628	3.7
153.01776	7.7
153.05423	5.4
153.09033	1.1
155.05997	1.6
155.10635	1.5
156.05678	0.8
157.06458	4.0
157.10063	0.9
159.04350	1.5
159.08014	3.4
159.11647	11.5
160.05119	1.4
160.11984	1.6
161.05963	7.5
161.13225	7.3
163.07500	0.9
163.11125	1.7
165.05463	2.6
165.12744	1.6
167.07002	78.4
171.06487	10.3
172.05170	6.7
173.05922	6.2
173.13196	3.9
175.07465	4.4
175.11223	1.2
175.14835	0.8
179.06993	1.2
181.04918	100.0
183.04300	0.9
187.03871	0.9
187.07487	5.8
189.05397	1.7
190.06239	3.2
191.07022	1.6
191.17874	1.0
193.12250	3.1
195.06476	1.3
200.04637	3.0
201.05447	8.3
201.16402	10.1
202.16699	1.3
203.07007	3.2
205.08502	6.9
206.05556	1.0
207.10103	1.0
209.07959	1.0
217.08505	1.6
218.05716	4.5
219.06425	1.5
219.10141	3.2
219.17395	12.7
220.17743	1.7
221.07959	3.6
233.08035	30.4
233.10378	1.1
235.09541	5.9
237.14742	1.2
237.18542	8.0
244.09331	0.9
245.08144	1.8
249.07600	1.0
251.09079	1.5
254.17371	5.4
255.17639	1.1
263.09085	4.8
268.08920	1.3
272.18552	7.8
273.07486	6.4
273.18823	3.5
279.06204	0.9
291.06366	1.1
295.09470	1.4
307.10019	0.9
321.07565	1.0
331.07913	1.6
355.11642	1.8
367.11658	1.3
387.14197	7.2
399.14249	4.9
417.10181	1.4
417.15353	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	435.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.01855	2.2
55.05506	7.6
57.03426	3.6
57.07072	1.0
59.04991	1.4
61.02903	0.8
62.06072	4.6
65.03939	8.5
67.05490	14.1
69.03407	11.9
69.07056	10.1
71.04972	16.5
72.08115	0.9
73.02910	1.2
73.06551	0.8
73.49450	0.7
79.05470	22.9
80.07773	0.9
81.03390	7.6
81.07037	35.4
82.04202	1.8
83.04966	4.9
83.08605	3.5
85.02885	20.8
85.06526	6.4
91.05460	20.5
92.08643	0.9
92.09139	2.0
93.03371	3.7
93.07018	25.3
94.25116	0.8
95.04943	10.9
95.08581	18.0
96.08982	0.9
97.02864	5.9
97.06494	10.3
97.10153	1.5
99.04449	2.0
99.08071	3.8
101.05991	3.9
103.05470	3.3
105.03378	14.8
105.07006	34.1
106.03645	2.9
107.04935	39.6
107.08569	21.0
108.02070	1.0
108.08871	1.4
109.02866	2.0
109.06511	6.5
109.10136	14.9
110.03648	5.1
110.10422	0.9
111.04431	1.9
111.08092	5.0
113.09635	0.9
115.03857	1.1
115.05425	5.5
116.06237	1.7
117.07005	10.1
119.04928	4.0
119.08557	17.7
121.02854	1.0
121.06495	3.9
121.10126	14.7
123.04425	4.3
123.08051	4.9
123.11670	7.0
124.03963	1.1
124.05172	6.1
125.05980	8.1
125.09601	9.4
127.03909	1.6
127.11172	5.3
128.06183	2.0
129.06960	4.2
131.04924	1.5
131.08545	9.6
132.05716	1.2
133.02756	0.9
133.06487	4.7
133.10095	33.0
134.10419	1.3
135.08034	1.9
135.11687	7.8
137.05972	4.7
137.09567	3.4
138.03145	4.0
141.06998	1.9
142.02592	3.6
143.10629	6.3
144.05705	5.4
145.04874	1.0
145.05399	1.4
145.06456	15.3
145.10109	15.8
147.04384	5.3
147.08003	1.8
147.11679	10.7
148.12010	1.6
149.05978	3.8
149.09579	1.7
149.13211	4.3
151.11160	11.2
152.04698	1.9
153.01810	9.4
153.05424	6.2
155.06035	1.7
155.10608	1.9
156.05574	1.3
157.06483	3.6
158.73999	0.9
159.08093	1.2
159.11650	10.5
161.05962	7.9
161.13167	7.2
163.07526	1.6
163.11169	1.2
165.05429	4.4
165.12787	1.5
167.06999	72.0
171.04333	0.9
171.06430	8.5
172.05144	7.1
173.05913	7.6
173.13235	2.1
175.07515	3.5
175.14812	1.2
177.05382	1.4
181.04918	100.0
185.05978	1.2
187.07396	6.7
189.05447	3.6
190.06223	1.4
191.03238	1.1
191.06996	1.8
191.10600	1.2
193.12161	1.3
200.04611	1.9
201.05428	8.4
201.16321	11.7
202.57397	0.9
203.06949	1.4
205.08578	4.4
206.05647	2.0
207.10117	1.2
217.08545	1.7
218.05664	7.3
219.06458	1.9
219.10078	1.6
219.13983	1.1
219.17410	15.2
220.17812	1.0
221.08023	3.7
231.06378	1.1
233.08020	34.3
235.09616	5.1
237.02501	0.9
237.14915	1.2
237.18466	11.6
244.09415	3.2
245.07965	1.3
251.09084	4.1
254.17516	3.2
255.19693	1.9
263.09210	7.6
267.08746	0.9
272.18466	5.3
273.07651	8.2
273.18784	1.2
292.07254	1.5
293.96848	1.0
311.05649	1.0
311.12646	1.0
313.63712	1.0
323.09055	1.3
331.08240	1.5
355.11667	1.2
381.12921	1.3
384.11551	1.4
387.14438	6.8
397.22900	0.9
399.14249	5.0
417.15353	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.00302	0.7
53.03936	1.8
55.01857	2.8
55.05277	0.8
55.05497	7.3
57.03422	4.5
57.07059	1.7
59.04974	1.0
61.02913	1.1
62.06076	5.1
62.13391	0.7
65.03928	7.9
67.05491	17.6
69.03413	17.5
69.07049	8.8
71.04975	18.6
73.02902	1.3
73.06554	1.0
74.76357	0.7
78.04695	1.0
79.05472	26.2
81.03392	8.3
81.07039	40.1
82.04212	3.5
83.04960	5.1
83.08598	3.5
84.77039	0.7
85.02890	21.8
85.06519	7.1
87.04465	1.0
91.05458	21.5
92.09255	2.0
93.03428	1.0
93.07026	25.7
94.07359	0.9
95.04958	12.9
95.08575	17.3
97.02877	7.0
97.06509	8.6
97.10130	1.1
98.97546	0.8
99.04416	1.6
99.08076	1.1
101.05994	1.9
103.05435	3.8
105.03368	12.1
105.07014	42.2
106.03694	3.3
106.07355	3.0
107.04940	37.0
107.08587	23.3
108.02090	1.2
108.08903	0.9
109.02865	1.8
109.06490	7.7
109.10137	18.4
110.03642	4.9
111.04446	1.6
111.08057	3.1
115.05453	5.6
115.07575	1.3
117.07005	12.1
119.04883	3.5
119.08557	18.2
121.02831	1.6
121.06492	4.9
121.10104	14.8
123.04403	8.2
123.08009	5.7
123.11710	8.1
124.05212	6.2
125.05957	7.3
125.09612	11.0
127.03892	3.7
127.11190	8.5
128.06204	1.0
129.06979	5.2
131.04916	4.8
131.08545	12.2
132.05707	1.5
133.02837	3.2
133.06477	3.4
133.10110	38.7
135.08017	1.3
135.11638	7.3
137.05968	4.9
137.09618	4.8
138.03088	3.2
139.11172	3.0
141.06943	2.8
142.02606	1.5
142.04214	1.0
143.04895	1.0
143.08440	1.2
143.10638	8.3
144.05696	3.6
145.05206	1.5
145.06454	14.7
145.10103	20.7
147.04393	4.6
147.07993	1.1
147.11638	9.4
149.05963	3.8
149.09653	1.4
149.13229	3.8
150.03914	0.9
150.09947	1.0
151.11171	12.9
152.04691	1.9
153.01807	6.6
153.05466	4.5
153.09076	1.0
155.06006	3.2
155.10655	3.2
156.05682	1.3
157.06476	3.9
157.10043	1.1
159.08076	3.8
159.11670	13.2
160.12048	1.6
161.05960	8.8
161.13222	7.4
163.07487	1.7
163.11145	3.4
165.05489	4.5
165.12704	1.7
166.06076	1.0
167.07005	65.9
169.12233	1.0
171.06514	7.9
172.05165	5.1
173.05994	6.8
173.13098	2.7
175.07518	3.1
175.14784	1.7
176.08328	1.1
177.05530	1.7
177.12773	1.2
179.07100	1.6
181.04926	100.0
181.12215	1.2
187.07516	4.9
189.05431	1.9
190.06212	1.2
191.06940	1.7
191.17976	0.8
192.07768	1.2
193.12149	3.0
195.06549	1.5
200.04619	1.7
201.05429	7.7
201.16367	13.4
202.16713	1.5
203.39854	1.0
205.08591	5.5
206.05759	2.0
207.06412	0.9
209.07988	1.6
217.08488	1.1
218.05716	5.3
219.10158	3.3
219.17430	17.3
220.17827	1.2
221.08102	5.3
233.08026	28.9
235.09642	6.2
237.14793	1.5
237.18439	16.6
244.09427	1.2
245.08113	1.2
251.09015	3.2
254.17268	1.5
255.19623	1.4
263.09149	5.3
267.08707	0.9
268.08765	0.8
272.18463	5.3
273.07516	6.6
273.18738	1.9
280.07376	0.9
309.07458	1.1
323.09247	1.1
327.12360	1.1
334.04361	1.0
355.11700	3.1
367.11639	1.1
381.13123	0.9
387.14224	6.0
399.14392	3.8
417.15408	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	435.1284
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
53.03927	0.4
55.01854	1.2
55.05503	1.7
61.02927	0.4
67.01852	1.3
67.05489	1.9
68.99780	0.3
69.03418	2.9
69.07051	1.6
71.04972	2.2
73.02876	0.4
75.02329	0.3
79.05475	2.1
81.03392	1.5
81.07037	7.6
82.07389	0.6
83.01346	0.4
83.04952	0.5
85.02888	4.8
85.06533	2.4
91.05464	4.6
92.08757	1.5
92.86867	0.3
93.07019	4.2
95.04943	2.3
95.08584	3.7
96.08916	0.5
97.02879	1.4
97.06543	0.4
99.04467	0.4
99.08092	0.4
105.03363	3.4
105.07013	4.7
106.07335	0.7
107.04941	1.6
107.08579	4.8
108.08923	0.5
109.06472	0.3
109.10148	3.1
110.10451	0.3
111.08060	0.5
117.06989	0.7
119.04917	11.8
119.08548	3.3
121.06506	0.7
121.10126	2.0
122.10482	0.6
123.04411	3.5
123.08051	0.5
123.11707	0.4
125.09601	1.2
127.03893	0.7
127.11154	0.6
131.08556	2.0
133.10095	3.8
134.10454	0.5
135.11646	1.3
136.45216	0.3
143.10670	0.5
144.09361	0.3
145.04922	0.3
145.10107	4.9
146.10437	1.6
147.04391	49.4
147.11670	1.6
149.13246	0.5
151.03909	1.2
151.11130	1.3
153.01807	100.0
159.11632	2.6
160.11987	0.6
161.09561	1.0
161.13217	1.2
162.09828	0.3
162.13553	0.4
163.11169	0.7
165.01711	0.3
171.02885	4.1
173.13231	0.7
175.14781	0.5
177.12640	0.4
179.03358	1.2
179.10672	0.5
189.05449	0.5
191.17851	0.4
201.16360	2.8
202.16664	1.2
216.65633	0.3
219.13754	0.5
219.17348	3.1
220.17749	1.3
231.06485	3.7
237.14949	0.3
237.18437	1.2
255.06477	0.5
255.15839	1.6
256.16104	0.4
273.07513	99.3
274.07904	0.4
396.60248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1279
Annotation	Isoinnovanoside
Peak:m/z	Relative Intensity
50.09030	0.2
50.94341	0.2
53.03932	0.5
54.33766	0.3
55.05495	0.3
65.03918	0.4
67.01865	0.4
67.05486	0.7
68.99767	0.5
69.07042	0.3
71.04984	0.3
77.55617	0.3
79.05457	0.5
79.26604	0.3
81.03396	5.9
81.07034	0.6
84.03547	0.3
86.77554	0.3
91.05456	11.1
92.08986	2.1
93.07043	0.5
95.04920	0.4
95.08582	0.6
98.57449	0.3
99.04433	3.8
104.38081	0.4
105.06998	0.8
107.08561	1.4
107.67343	0.3
109.02861	7.5
109.10165	0.5
119.04917	32.7
119.08568	0.7
121.49130	0.3
127.03882	3.8
145.10033	0.4
147.04385	100.0
148.04778	0.3
169.04922	18.9
185.13203	0.5
211.06039	0.6
255.06459	1.6
273.07520	2.8
315.08453	1.5
435.32309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1282
Annotation	Isoinnovanoside
Peak:m/z	Relative Intensity
50.35977	0.1
51.18830	0.1
51.28701	0.1
53.03926	0.9
55.01859	0.3
55.05485	0.8
55.36761	0.1
57.03406	0.2
57.07054	0.3
59.04984	0.3
61.02897	0.2
65.03915	1.0
67.01833	0.9
67.05499	1.4
67.53188	0.1
68.99768	0.9
69.03407	0.4
69.07040	1.3
71.04965	1.2
77.15786	0.2
78.04671	0.2
79.05471	2.2
81.03394	6.1
81.07034	7.1
82.07372	0.9
83.04962	0.3
85.02882	1.9
85.06512	0.3
87.39744	0.2
91.05454	11.4
92.09145	0.6
93.03365	0.3
93.07005	2.6
95.04935	1.3
95.08585	2.1
96.08900	0.2
97.02861	1.0
97.06520	0.7
99.04432	3.7
99.08064	0.2
103.05437	0.4
105.03374	1.9
105.07016	2.4
106.04136	1.1
107.04917	1.2
107.08570	2.1
109.02135	0.4
109.02855	6.9
109.03590	0.3
109.06489	0.3
109.10129	1.5
110.03677	0.2
110.10428	0.2
111.04375	0.2
111.08106	0.3
111.11653	0.2
115.05423	0.3
117.06980	0.7
119.04911	32.1
119.08530	1.0
121.06457	0.8
121.10090	1.8
122.10461	0.7
123.04390	0.9
123.08022	0.2
123.11682	0.8
124.12037	0.2
125.05961	0.3
125.09551	0.2
127.03870	5.0
129.06940	0.3
131.08525	0.7
133.02774	0.2
133.06429	0.3
133.10104	0.9
134.03578	0.2
135.08057	0.2
135.11674	0.8
137.13231	0.3
140.04666	0.2
145.04951	0.2
145.06418	0.2
145.10078	1.0
146.10490	0.2
147.04381	100.0
147.11662	0.4
148.04774	0.4
149.05949	1.0
149.13248	0.3
153.09035	0.2
157.06427	0.4
159.11681	0.9
161.05943	0.9
161.13252	0.4
162.13437	0.2
163.07513	0.2
163.11038	0.3
165.09004	0.2
167.06984	2.4
169.04913	16.4
177.05447	0.4
177.16298	0.3
181.04909	3.4
181.08519	0.2
186.84921	0.2
191.18002	0.2
193.08650	0.2
201.16348	0.8
209.08057	1.0
211.06009	0.8
219.17404	0.4
220.17705	0.2
233.07976	0.3
237.18419	1.0
238.18832	0.3
255.06496	1.0
273.07523	3.2
315.08606	1.7
329.89322	0.2
417.15128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1283
Annotation	Isoinnovanoside
Peak:m/z	Relative Intensity
53.03940	0.9
53.27123	0.1
54.18778	0.1
55.05487	0.1
55.89491	0.1
57.03419	0.1
62.33546	0.1
65.03918	0.6
67.01854	0.7
67.05487	0.5
67.92027	0.1
68.99790	0.5
69.07056	0.4
72.49500	0.1
81.03398	5.8
81.07044	0.7
81.72754	0.2
85.06548	0.2
90.07915	0.1
91.05459	9.5
92.08738	0.3
93.07015	0.3
95.04952	0.2
95.08608	0.5
97.02873	0.2
97.06504	0.2
99.04440	3.7
105.03396	0.2
105.07000	0.6
107.08585	0.6
109.02867	6.8
109.10133	0.3
119.04921	30.3
119.38828	0.2
121.10220	0.2
123.04417	0.2
127.03894	4.4
130.62318	0.2
133.10068	0.1
133.76274	0.1
146.61855	0.2
147.04391	100.0
148.04744	0.6
151.44624	0.2
157.06496	0.3
159.11702	0.3
163.28258	0.1
169.04929	17.3
171.11687	0.2
185.36386	0.2
211.05991	0.9
231.11296	0.1
255.06458	1.1
273.07489	3.0
315.08588	1.9
319.16095	0.2
451.35803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1279
Annotation	Isoinnovanoside
Peak:m/z	Relative Intensity
52.39896	0.1
52.76346	0.1
53.03942	0.8
55.05505	0.3
55.05770	0.1
57.03425	0.3
57.07059	0.1
59.04955	0.1
65.03922	0.7
67.01852	0.7
67.05495	1.0
68.99772	0.7
69.07054	0.7
71.04974	0.7
73.02836	0.1
79.05472	0.7
81.03394	6.2
81.07046	0.9
83.08585	0.2
85.02909	0.4
85.06514	0.3
91.05457	11.2
92.09170	0.7
92.63947	0.1
93.07006	1.0
95.04940	0.7
95.08588	0.8
96.08949	0.2
97.02856	0.3
99.04437	4.4
105.03369	1.9
105.07005	1.0
106.07342	0.2
107.08587	0.9
109.02858	6.9
109.03595	0.3
109.06513	0.2
109.10138	0.6
117.06972	0.2
119.04913	33.0
119.08598	0.9
121.09092	0.1
121.10082	0.5
123.04364	0.2
123.11741	0.2
127.03886	4.6
131.08556	0.7
133.10100	0.3
135.08066	0.2
145.10074	0.9
147.04381	100.0
148.04752	0.7
159.11679	0.6
167.07048	0.1
169.04915	16.7
185.05875	0.2
187.07542	0.2
201.16286	0.2
202.16472	0.2
211.05988	0.9
229.14276	0.2
255.06418	1.0
269.17273	0.3
273.07446	3.4
278.82233	0.2
308.95822	0.2
315.08484	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75795	0.2
53.03931	1.2
55.05510	0.3
55.33179	0.2
65.03918	0.5
67.01836	1.0
67.05482	0.3
67.12856	0.2
68.99773	0.4
69.07036	0.8
71.04969	0.5
73.45913	0.2
79.05468	0.2
81.03405	5.6
81.07029	1.0
85.02886	0.3
86.34572	0.2
89.41408	0.2
91.05464	12.4
93.07012	0.5
95.04929	0.3
95.08598	0.8
97.02845	0.4
99.04433	3.6
105.03378	1.0
105.07008	1.0
107.08567	0.5
107.63868	0.2
109.02869	7.7
109.10140	0.5
117.06960	0.3
119.04922	37.4
119.08523	0.4
121.10105	0.3
127.03898	5.0
131.08476	0.3
142.17604	0.3
145.10103	0.3
147.04393	100.0
149.76331	0.3
151.74222	0.2
169.04932	16.3
169.06374	0.6
172.57251	0.2
211.06046	1.0
219.52431	0.2
234.85616	0.2
237.88225	0.3
243.07410	0.2
243.78726	0.2
255.06502	1.1
261.11990	0.2
273.07501	2.2
315.08545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.128
Annotation	Isoinnovanoside
Peak:m/z	Relative Intensity
53.03939	0.5
58.59459	0.3
63.59969	0.3
65.03921	0.6
66.28680	0.2
67.01834	0.6
68.99776	0.5
71.04998	0.3
75.70813	0.3
81.03402	5.9
91.04959	0.5
91.05471	9.6
92.08789	2.0
92.09399	0.6
99.04427	3.7
102.50917	0.3
109.02866	7.3
119.04923	33.3
127.03915	3.4
147.04395	100.0
148.04718	1.2
169.04932	14.7
183.36041	0.3
193.61952	0.2
194.55811	0.3
199.07782	0.4
211.05981	0.6
220.90807	0.3
255.06406	0.7
273.07513	3.0
300.41510	0.3
315.08502	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47036	2.9
53.44877	3.4
54.91838	3.0
55.05500	14.9
57.07066	7.4
61.54060	4.0
63.50229	3.2
67.05488	18.8
69.07060	14.6
71.04969	13.6
75.97818	3.0
79.05470	20.8
81.07042	58.8
83.08578	5.6
91.05463	38.5
93.07013	81.0
95.04947	15.1
95.08578	63.6
105.07015	68.6
107.08549	36.4
109.06483	19.9
109.10140	16.1
111.08088	5.2
117.07008	5.5
119.08554	93.5
121.06499	5.1
121.10098	54.2
123.65984	3.6
131.08539	19.7
133.10097	29.1
137.09569	5.2
142.07770	7.6
143.08543	22.5
144.09367	4.9
145.10124	40.8
147.11664	59.5
149.13277	5.8
155.01001	4.8
156.09286	6.3
157.10118	31.6
159.11644	34.6
161.13242	14.2
169.10138	5.6
171.11638	9.0
175.11150	15.3
177.12817	5.6
183.11684	4.8
185.13258	13.8
187.14774	6.3
189.16328	6.7
213.16386	7.0
251.21158	3.5
283.16843	100.0
339.23138	63.7
339.26874	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61115	2.0
53.03933	3.3
55.05507	42.3
57.03415	3.1
57.07062	3.2
64.05965	2.3
66.18505	2.4
67.05502	35.7
69.03397	6.4
69.07047	32.3
71.04978	32.5
73.06544	4.3
78.56164	2.3
79.05470	35.0
81.07040	63.0
83.04960	2.7
83.08604	9.8
83.77893	2.7
85.02869	21.5
85.06516	3.2
91.05456	33.9
92.09123	4.3
93.07023	94.0
95.04946	5.5
95.08578	65.1
97.02863	3.7
97.06516	5.5
99.08071	5.3
105.07015	100.0
107.07866	4.6
107.08578	94.7
109.06526	4.5
109.10141	59.3
110.81715	2.8
111.08060	6.3
112.07530	5.5
117.07008	14.1
119.08574	50.3
121.06532	4.1
121.10127	97.6
123.08068	3.7
123.11684	12.6
125.09596	23.6
127.03836	3.1
127.07550	3.1
127.11182	6.7
129.06975	2.9
131.08549	33.2
133.10106	91.3
135.11655	27.5
137.09639	3.8
143.10664	25.1
144.09372	3.6
145.10106	56.0
147.11688	24.7
149.13260	26.9
151.11226	3.9
157.10146	3.6
159.11667	44.6
161.13243	12.7
163.11177	15.8
167.14250	22.3
171.11792	3.2
173.13150	5.4
175.14780	3.6
177.12732	5.9
191.17896	4.8
201.16312	41.2
219.17395	57.7
237.18506	16.1
241.17226	3.7
247.17889	2.7
292.28613	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	434.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43706	0.9
53.03937	1.8
55.05505	8.9
55.65898	1.1
57.03411	5.6
57.07057	2.2
61.02913	1.7
62.62310	0.9
63.62676	1.0
65.56936	1.1
67.05491	15.0
69.03414	13.3
69.07052	13.6
71.04971	18.1
72.05293	1.3
73.02891	1.5
79.05469	13.8
81.03380	4.4
81.07037	44.3
83.04958	10.0
83.08591	6.0
85.02885	27.0
85.06528	2.1
89.32516	1.0
91.05468	17.8
91.51933	0.9
92.09137	1.8
93.07017	49.6
93.87875	1.0
95.04929	6.0
95.08578	35.6
97.02857	6.5
97.06502	5.3
105.04442	1.3
105.07011	35.2
107.04942	1.3
107.08572	100.0
109.06499	4.3
109.10143	30.7
111.08049	6.9
115.03889	4.4
117.03529	1.3
117.06985	6.3
119.08549	23.0
121.06448	1.0
121.10112	47.3
123.08014	2.2
123.11675	16.2
129.05440	4.5
129.06964	1.6
130.07729	1.5
131.08510	14.1
133.10094	16.3
135.08063	1.1
135.11630	8.5
138.84007	1.1
144.09251	1.2
145.10110	28.6
146.10837	1.2
147.11653	11.9
149.09579	1.4
149.13229	35.6
151.14758	1.8
157.10059	1.6
159.11664	19.3
161.13219	15.8
163.11143	4.4
163.14731	1.0
165.12711	5.2
167.06989	1.6
167.14296	19.0
171.11635	1.7
173.13210	7.9
175.14850	1.3
181.04840	1.9
189.12859	1.7
201.16374	15.2
207.13789	3.7
219.13800	2.4
219.17447	10.1
225.14795	8.3
237.14777	8.0
237.18391	2.5
238.95804	1.2
255.15906	4.5
282.98792	1.4
287.05441	8.9
288.05759	21.4
370.07742	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01863	1.3
55.05505	17.7
57.03436	0.8
57.07062	13.7
58.26137	0.6
59.04980	3.1
61.02917	4.9
61.85912	0.7
65.03943	0.6
67.05136	1.1
67.05489	26.2
69.03041	0.6
69.03404	6.0
69.07051	26.9
69.07402	1.3
71.04974	16.8
71.08603	1.1
73.02901	1.5
73.06528	0.9
76.56824	0.7
79.05475	16.5
81.03384	4.3
81.07037	89.9
83.04967	5.5
83.08610	21.3
85.02893	17.5
85.06525	19.3
91.05462	17.2
92.09016	1.0
93.07023	43.4
95.04946	4.9
95.08582	79.4
95.66906	0.6
97.02879	6.2
97.06490	7.8
97.10155	7.5
99.04430	71.3
99.08075	4.4
101.05998	2.7
105.03371	3.5
105.07012	25.8
107.08574	59.6
109.02922	0.9
109.06507	6.1
109.10139	68.1
111.08060	9.7
113.06005	0.9
113.09673	1.5
115.07549	1.4
117.05452	6.0
117.06996	4.4
119.08559	49.6
121.06496	1.2
121.10119	95.0
123.08059	7.3
123.11681	66.8
125.09621	8.8
127.03915	1.6
127.07523	8.3
127.11165	6.0
131.08521	7.2
133.10104	24.0
135.08025	3.6
135.11659	26.4
137.09630	6.0
137.13243	6.2
139.07489	0.8
139.11133	4.8
141.09050	0.9
145.10110	23.0
147.04391	4.0
147.11641	5.1
149.09619	5.3
149.13208	7.0
151.11159	3.8
151.14859	0.7
153.09113	2.3
153.12650	0.9
157.10179	1.1
159.11665	25.7
161.13220	32.9
163.11134	9.7
167.07083	0.9
167.10645	4.9
173.13182	2.7
175.14793	21.3
177.12860	6.6
177.16351	80.8
179.14305	8.6
181.05038	0.9
181.12184	16.1
191.14293	1.1
191.17958	10.2
201.16347	34.6
207.24570	0.6
219.17409	44.3
237.18445	100.0
238.18645	0.9
255.19496	63.3
302.07306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13196	0.8
53.03932	5.0
53.95394	1.0
55.01852	0.8
55.05505	19.0
57.03420	6.7
57.07062	2.3
59.04992	1.8
59.94043	0.9
61.02919	7.9
67.05492	23.1
69.03412	20.3
69.07056	22.8
71.04969	11.6
73.02895	1.4
73.16567	1.0
79.05474	26.4
81.03406	9.6
81.07034	61.1
83.04964	38.4
83.08597	4.5
85.02419	2.1
85.02892	38.8
85.06522	2.3
91.03926	1.2
91.05456	27.9
92.08725	2.3
92.09315	2.0
93.07021	77.3
95.04951	20.3
95.08583	66.6
97.02877	20.0
97.06510	16.3
97.10151	1.2
98.86620	1.0
99.04459	2.1
101.33356	1.1
101.78448	1.2
103.05444	1.6
105.03353	10.4
105.07013	100.0
107.08576	72.9
109.02856	2.1
109.06484	5.9
109.09393	1.4
109.10136	32.9
111.08070	2.0
117.06990	13.0
119.06138	1.3
119.08561	50.2
121.06498	1.5
121.09258	1.8
121.10121	42.5
123.08038	7.3
123.11698	10.1
125.09583	13.3
127.03903	8.9
129.06970	4.9
130.07793	5.9
131.08548	34.8
131.09439	1.1
133.06470	26.1
133.10107	67.5
134.58583	1.1
135.11681	23.9
137.09631	1.2
137.13220	6.1
142.07715	1.2
143.08571	1.9
144.09326	7.2
145.04932	1.9
145.10106	74.6
146.10883	4.7
147.04378	2.1
147.11656	12.8
149.13237	15.9
151.11133	2.3
152.48817	1.1
157.10106	5.4
158.10892	1.5
159.11664	55.0
161.13202	13.6
163.11133	4.5
171.11700	1.1
173.13234	10.3
175.14798	8.9
177.16302	1.6
181.04907	1.3
191.17889	4.5
201.16336	59.2
203.17923	4.7
219.17413	32.4
237.18480	6.5
416.16431	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.3
53.03931	1.5
54.72026	0.3
55.01859	2.0
55.05498	0.4
57.03426	31.0
59.04991	7.7
59.85826	0.3
60.04500	1.6
61.02914	5.9
61.60459	0.3
69.03413	88.9
69.07032	0.4
71.01354	0.4
71.04987	2.7
73.02892	5.9
75.04464	3.4
79.05473	3.3
81.03400	9.0
81.07040	1.6
83.04964	0.7
83.08961	0.3
85.02887	100.0
87.04448	54.1
91.03912	2.4
91.05450	1.7
92.08852	0.7
93.07021	1.7
93.50085	0.3
95.04948	1.9
95.08581	1.6
97.02866	73.6
99.04432	3.7
101.02384	0.4
103.03916	1.4
103.05421	0.5
105.03374	31.8
105.04496	1.0
105.07008	24.3
106.03735	0.3
107.04926	0.6
107.08581	1.9
109.02864	8.2
109.10149	0.6
111.04407	1.6
115.03905	68.2
117.06968	1.3
119.04821	0.4
119.08553	2.3
121.06422	0.5
121.10094	1.3
123.04376	5.0
127.03889	15.4
129.06967	0.7
131.08519	2.0
133.04938	60.2
133.10065	2.6
135.04382	0.5
135.11674	0.5
137.05988	0.4
139.03888	0.4
143.08546	0.7
143.10651	0.4
145.04932	18.3
145.10071	1.6
147.08003	2.1
149.09526	0.5
149.13202	0.5
150.07590	8.3
151.03850	0.4
157.10103	0.4
159.08063	0.4
159.11670	1.3
160.22061	0.3
161.04424	0.4
161.05817	0.3
161.13214	0.5
163.05991	8.4
163.11147	0.4
165.09048	0.4
167.07036	0.6
167.14310	0.6
169.04906	1.6
171.08012	0.6
181.04924	2.8
182.05211	0.7
189.09029	1.2
191.10657	0.3
191.14461	0.3
201.09029	1.4
201.16281	2.5
207.10071	0.4
209.11600	0.5
209.15260	0.5
219.10158	1.1
219.17346	2.8
222.08524	0.4
223.05930	0.5
231.10121	0.6
236.17426	0.4
237.11139	1.6
237.18552	0.5
241.06961	1.8
249.07475	4.9
249.11154	0.6
255.12173	1.8
259.08066	4.1
267.08597	4.6
277.08981	1.4
285.13312	4.0
295.10138	3.7
396.31595	0.3
396.67734	0.3
404.14075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.4
55.01854	0.9
55.05496	3.1
57.03428	16.4
57.07050	0.6
59.04994	1.0
60.00659	0.5
61.02919	5.9
67.05488	3.2
69.03419	27.3
69.07042	3.1
71.01319	0.9
71.04980	5.9
73.02905	24.9
79.05476	7.4
79.62943	0.6
81.03406	16.0
81.07045	7.0
82.20545	0.6
83.04965	6.2
83.08601	0.6
85.02892	35.6
85.06520	1.3
87.04446	4.0
90.95473	0.6
91.05461	66.7
91.26180	0.6
92.08750	2.5
92.09334	1.3
93.07019	6.1
95.04951	4.9
95.08583	4.3
97.02876	29.4
97.06496	2.7
99.04436	5.3
101.06007	9.6
103.03903	0.7
103.05474	1.0
104.68979	0.6
105.03380	43.1
105.07017	100.0
106.03711	2.8
107.04952	1.3
107.08568	8.1
109.02890	7.5
109.06496	1.3
109.10165	4.5
115.03915	10.4
115.07554	1.4
117.07037	2.2
119.04881	0.7
119.05733	0.6
119.08567	9.9
120.08884	0.9
121.02891	2.1
121.10117	4.5
123.04385	5.6
123.08036	4.0
123.11742	0.8
125.42293	0.7
125.85870	0.6
127.03883	16.1
131.08566	7.0
133.04929	5.4
133.10103	5.3
135.11676	1.3
137.02330	7.6
137.05943	4.2
139.11148	0.7
143.08536	3.0
145.04961	4.7
145.06491	1.0
145.10101	7.2
147.08101	2.8
147.11629	3.2
149.09634	0.8
149.13290	0.7
150.05420	0.9
151.11099	4.6
153.09128	0.6
159.08058	1.2
159.11658	4.6
161.04448	0.6
161.09586	0.7
161.13251	4.2
163.06012	1.0
163.11121	1.1
164.01222	0.6
167.07004	1.5
169.04913	5.8
169.12169	1.1
171.07994	0.9
173.13210	1.4
175.14714	0.8
181.04872	4.7
189.09045	0.8
201.16394	3.9
219.10123	2.3
219.13768	1.1
219.17349	6.6
233.07932	1.6
237.07794	0.9
237.14809	2.9
237.18452	4.9
249.07594	6.1
249.11081	1.5
259.07962	0.9
259.56619	0.7
263.09149	4.5
267.08527	7.6
281.10165	8.9
283.81845	0.8
370.47464	1.0
381.15216	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87672	0.1
53.03935	1.3
53.16590	0.2
55.01857	1.4
56.11659	0.2
57.03429	9.0
59.04968	0.3
61.02912	3.5
61.71238	0.2
66.39993	0.2
66.49442	0.2
69.03413	10.0
71.01333	1.0
71.04958	0.9
73.02899	20.0
79.05478	4.3
81.03393	3.8
81.07036	0.3
84.78640	0.2
85.02888	20.2
87.04444	1.2
91.03934	0.5
91.05446	1.6
92.09186	1.1
93.07032	0.4
95.04934	1.8
97.02871	12.8
99.04433	1.1
103.03934	0.3
103.05460	2.1
105.03372	17.3
105.07011	100.0
106.07354	0.4
107.08583	0.3
109.02863	3.3
115.03145	0.4
115.03909	7.2
117.06941	1.5
119.08544	0.9
123.04375	1.6
127.03896	5.0
129.05418	0.3
129.06999	0.9
131.08560	1.1
132.06592	0.3
133.04941	3.0
141.06984	0.3
143.08536	0.4
145.04942	4.3
145.06430	0.8
145.10114	0.8
147.08035	0.9
150.07567	0.4
153.07059	0.3
155.08472	0.2
159.11789	0.4
162.07535	0.2
163.05948	1.7
183.08020	0.4
201.16287	0.4
219.10133	0.4
219.17491	0.5
223.05972	0.4
231.09946	0.2
237.11230	0.4
241.07025	1.0
249.07588	3.2
249.11226	0.5
259.08115	1.8
267.08560	2.8
277.08981	0.2
285.13290	0.2
295.10245	2.1
434.20236	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04328	0.2
52.42912	0.2
53.03931	0.4
54.70121	0.2
55.01860	1.6
55.05512	0.3
57.03418	0.6
61.02906	1.2
62.72160	0.3
63.15745	0.2
65.03930	1.9
67.05492	1.9
69.03429	2.4
69.33138	0.2
70.06581	0.4
71.04987	0.3
73.02905	0.3
79.05481	0.5
79.13523	0.3
81.03394	0.6
83.04980	3.0
85.02889	5.9
85.61768	0.3
88.29124	0.3
91.05455	1.2
92.09112	0.4
93.03366	0.5
95.04941	1.6
97.02873	2.6
98.77776	0.3
99.04429	0.6
101.05982	2.3
103.05453	1.5
105.07015	8.4
106.02918	0.3
107.04948	0.5
109.02860	1.0
111.04417	0.7
113.05994	17.4
115.04765	0.2
115.05414	2.3
116.67978	0.3
117.07019	0.7
119.08575	0.3
121.02848	100.0
122.03185	0.4
123.04454	0.4
124.03959	0.6
127.03912	1.3
128.06177	0.6
129.07007	2.8
130.47331	0.2
131.04904	7.6
131.07054	0.6
131.08510	0.4
132.05646	0.4
133.06476	10.1
137.05992	2.6
139.03882	3.3
141.06987	0.7
143.04970	0.5
143.06078	0.4
144.05757	0.4
145.04991	0.4
145.06473	2.4
146.03596	0.4
147.04405	0.6
147.08035	0.6
149.05957	0.3
153.01872	0.6
155.06010	0.4
157.06468	3.2
159.04376	1.3
159.08044	0.5
160.05215	1.1
161.05949	15.3
163.07518	1.9
167.07013	4.5
171.04321	0.3
172.05185	1.3
173.05998	1.8
174.06720	1.3
175.03868	1.2
175.07556	1.4
177.05522	0.4
181.04961	2.4
185.05983	0.4
186.03058	0.4
187.03857	1.1
187.07559	1.0
188.04697	0.6
189.05446	1.8
189.09048	2.6
191.07005	2.5
193.08606	8.8
196.05232	0.4
197.08051	3.6
199.03879	0.4
200.04639	0.4
201.05470	1.7
201.09038	0.4
203.07013	1.7
204.04080	0.3
205.08659	1.3
207.06607	1.1
207.10132	0.7
213.05450	0.6
214.02591	1.5
216.04198	1.6
217.01526	0.3
217.04962	1.1
217.08505	1.9
218.05792	0.5
219.06517	1.9
219.10117	1.1
221.08008	0.6
227.03374	0.6
229.04942	2.7
230.05719	0.7
231.02849	0.6
231.06503	3.2
232.03581	2.6
233.08047	3.3
237.11119	0.3
241.05003	0.6
242.05769	0.5
243.06592	1.1
244.03783	0.5
245.04399	1.2
245.08153	1.2
247.05978	10.1
248.06842	0.3
249.07562	1.8
255.04877	1.3
259.05988	5.5
261.07553	3.9
263.09174	1.1
271.06000	2.6
273.04880	0.3
273.07480	2.6
275.09021	0.5
277.07001	0.3
279.08545	0.4
285.07867	0.4
288.06119	0.3
289.06976	2.7
291.08646	1.1
301.07022	1.2
303.08722	1.1
319.07962	1.7
321.09613	1.5
349.09174	2.5
351.10901	0.4
363.10672	0.6
367.10101	0.4
381.11707	6.9
399.12711	4.5
434.16760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01869	3.1
57.03432	64.2
59.04986	2.8
61.02912	16.4
69.03416	77.7
69.03796	2.6
71.01341	7.2
73.02901	96.6
76.97890	1.7
79.05486	2.4
81.03395	8.2
85.02892	100.0
87.04459	23.5
97.02877	86.9
99.04453	3.0
105.03389	10.7
109.02853	3.5
115.03919	56.4
123.04385	14.6
127.03917	19.4
133.04936	33.7
144.06555	3.5
145.04958	22.5
150.07530	1.9
162.07625	2.7
163.06015	6.7
179.07338	1.8
223.06105	1.9
241.06993	5.9
368.21423	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08173	0.8
50.37619	0.8
52.16489	0.7
53.03941	14.1
55.01867	13.5
55.05501	5.2
55.73645	0.9
56.07578	0.8
56.86416	0.8
57.03424	9.8
59.04972	0.9
60.04502	1.1
61.02920	8.9
65.03905	0.9
67.05489	6.8
68.99776	2.1
69.03414	53.4
69.07049	5.0
71.04980	13.8
73.02902	9.8
73.81713	0.8
79.05474	10.3
81.03399	46.5
81.07041	25.5
83.04945	3.6
83.08601	1.3
85.02891	100.0
85.06514	6.4
87.00320	1.9
87.00813	42.5
87.04436	6.2
91.03935	1.3
91.05466	11.2
92.09027	2.4
93.07031	10.5
94.04190	1.5
95.04926	1.9
95.08597	10.8
97.02871	44.3
97.06557	1.1
98.06036	1.2
99.04432	16.8
103.03979	1.1
105.01852	25.1
105.03379	15.3
105.07011	15.7
106.02889	2.1
106.03688	1.3
107.04932	4.2
107.08581	13.0
107.26894	1.0
108.04475	7.4
108.05090	0.9
109.02857	39.3
109.06503	39.6
109.10155	8.3
109.10769	0.9
111.08078	1.1
115.03910	3.6
117.01836	5.9
117.06987	1.7
119.06024	1.5
119.08554	12.5
121.02881	7.9
121.06453	1.6
121.10116	7.6
123.04366	1.4
123.08065	1.4
124.03899	3.7
125.09635	1.7
126.05484	2.0
127.03890	46.0
127.11201	4.3
127.68656	1.1
129.01828	4.1
131.08548	6.1
133.04956	5.2
133.10110	6.9
135.11679	5.4
137.05959	65.3
139.03880	2.1
143.10709	1.7
145.04933	17.0
145.10083	23.9
147.02902	1.3
147.08015	1.0
147.11696	5.1
149.13274	1.5
154.06200	2.1
159.02870	19.8
159.11652	10.0
161.13214	6.2
163.11147	1.5
163.14667	1.4
167.07297	2.0
169.08569	88.4
173.13240	4.1
173.66603	1.0
174.61418	1.1
175.14819	1.1
178.13354	1.1
191.17894	1.7
195.06465	1.5
201.16289	12.6
213.03836	1.3
219.17421	13.8
230.06616	1.2
231.04926	8.9
237.14824	1.5
237.18402	3.5
248.07547	5.7
266.08429	0.9
267.08643	1.6
267.11658	1.0
277.10721	1.5
279.24707	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
54.81684	0.3
55.01863	4.0
57.03429	53.1
59.04986	2.1
60.04518	1.3
61.02596	0.3
61.02913	15.2
69.03416	47.0
69.07070	0.3
70.06579	0.5
71.01338	6.1
71.04981	2.6
72.04497	0.7
73.02900	100.0
74.09670	0.3
74.56261	0.3
77.03927	0.3
77.55553	0.3
79.05474	6.2
81.03397	12.9
81.07020	0.5
83.04980	0.5
84.04498	0.6
85.02888	73.3
87.04446	4.3
91.03937	3.1
91.05472	0.8
92.08931	1.7
93.07018	0.6
95.04947	3.0
95.08598	0.5
96.04445	1.5
97.02869	68.6
98.06014	1.5
99.04430	4.3
101.02364	0.4
103.03901	0.7
105.03372	57.3
105.07005	0.4
106.03703	0.7
107.03812	0.4
107.08554	0.5
108.04503	0.5
109.02139	0.5
109.02862	10.2
111.04449	0.5
114.05523	0.5
115.03906	38.7
119.08559	0.8
121.02843	0.4
123.04400	16.5
125.09560	0.4
126.05493	0.6
127.03888	20.4
131.08513	0.4
132.06532	1.2
133.04938	9.1
144.06531	4.9
145.04935	21.9
145.06081	0.7
145.10080	0.4
149.02274	1.6
150.07555	2.4
156.06462	0.4
159.11633	0.4
162.07581	3.5
163.05995	7.8
171.49606	0.4
180.08588	3.7
193.04897	1.4
201.16396	0.7
211.06076	0.4
214.50539	0.4
219.06427	1.7
219.17319	0.7
219.85251	0.3
221.00038	0.3
223.05946	2.8
231.06535	0.5
237.07497	0.4
241.07040	4.4
249.07518	11.8
255.54500	0.3
259.08093	2.7
267.08560	10.8
276.10507	0.5
285.09540	2.6
294.11661	1.6
295.10077	2.1
312.12769	0.7
395.07813	0.4
399.19821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19844	0.1
53.03933	0.2
55.01855	0.2
55.05492	0.2
56.40515	0.1
57.03419	0.7
58.45939	0.1
61.02925	0.9
65.03926	1.6
67.05489	0.8
69.03417	2.0
69.27432	0.1
70.06573	0.1
71.04964	0.2
73.02898	0.7
73.75712	0.1
81.03384	1.0
83.04971	1.0
85.02890	5.7
86.09686	0.2
87.04464	0.2
91.05447	0.2
92.09059	0.6
93.03394	0.5
95.04937	0.6
97.02874	1.9
99.02134	0.1
99.04431	0.3
101.05997	0.9
105.03370	0.3
106.02903	0.2
109.02847	0.7
110.05985	0.1
111.04430	0.3
111.72134	0.2
112.07631	0.1
113.05196	0.3
113.05987	5.9
119.04926	0.2
121.02847	100.0
122.03181	0.2
123.47370	0.1
124.03922	0.9
127.03889	0.9
129.06970	0.6
131.04901	1.6
131.07013	0.6
131.08524	0.2
132.66180	0.1
137.05972	0.6
138.05498	0.2
139.03891	2.4
145.02863	0.2
145.04926	0.6
157.06520	0.5
163.03865	0.6
163.07465	0.5
175.07481	0.2
189.09105	1.1
219.10188	0.2
237.07533	0.2
255.04942	1.4
268.08212	0.2
434.16281	0.3
446.80103	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
54.39536	1.5
55.05509	42.1
56.09336	1.5
57.01005	1.6
59.04988	72.6
61.65554	2.1
67.05489	19.9
69.03408	8.0
69.07050	7.4
71.04984	2.6
72.41872	2.0
79.05476	15.3
81.07020	20.4
83.08588	3.5
85.06528	100.0
91.05459	58.6
92.08868	13.3
93.07030	41.5
95.04943	12.9
95.08599	26.4
97.06516	2.2
97.10168	2.9
99.08098	3.0
103.05448	2.8
105.07006	49.7
107.08589	26.2
109.06496	14.1
109.10125	17.5
111.08076	15.0
117.06989	22.6
119.08553	72.5
121.06482	3.9
121.10121	19.7
122.07258	7.9
123.08056	12.4
123.11655	2.4
125.09593	24.1
128.06219	9.5
129.06987	13.9
130.07733	9.3
131.08537	27.8
133.10112	24.5
135.08078	3.9
135.11671	10.9
137.09581	29.9
141.06952	7.2
142.07774	21.6
143.08554	21.4
144.09399	2.6
145.10129	27.4
147.08043	4.9
147.11690	9.8
149.09607	10.6
151.07442	2.2
151.11189	22.6
153.07039	3.6
154.07741	3.8
155.08514	14.2
156.09279	14.5
157.10094	23.8
159.08015	3.5
159.11667	12.1
161.09593	3.6
161.13174	3.2
163.11153	3.6
165.06876	2.2
166.07742	2.2
167.08534	4.2
168.09363	3.1
168.80716	3.0
169.10086	12.6
170.10883	4.5
171.11671	16.3
173.13223	4.1
175.11209	3.3
179.08496	8.0
181.10088	4.7
182.10857	4.3
183.11639	16.2
185.13231	4.8
189.12741	4.7
193.10138	7.9
194.10933	9.2
195.11681	9.5
197.13213	4.3
201.12346	1.9
203.14206	3.0
207.11656	4.7
208.12421	2.7
209.13293	11.7
211.14752	2.6
215.14243	3.7
219.11723	3.9
221.13248	2.8
223.14801	4.5
225.16383	2.6
226.15573	2.0
235.14758	4.3
265.19385	3.6
272.58685	2.4
314.21494	2.6
341.25009	3.2
354.25717	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	433.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.05502	41.6
57.07055	2.9
59.04986	65.8
67.05485	22.7
69.03391	5.6
69.07040	9.4
71.04960	2.5
79.05457	18.2
81.07033	26.3
83.04941	2.5
83.08572	3.6
85.06523	100.0
91.05454	56.1
92.09063	6.3
93.07013	44.4
95.04928	10.5
95.08577	28.6
97.06492	2.8
97.10158	2.2
99.08050	3.6
100.41317	1.5
103.05408	2.1
105.07006	52.2
107.08568	24.1
109.06485	12.5
109.10126	18.3
111.08038	10.2
115.05403	2.4
117.06992	18.8
119.08548	72.5
121.06493	2.2
121.10117	23.9
122.07217	3.2
123.08014	9.7
123.11659	1.7
125.09595	22.8
128.06183	8.5
129.06967	9.4
130.07756	7.5
131.08539	27.4
133.10088	21.9
135.08032	3.9
135.11646	8.9
137.09586	24.8
141.06924	3.8
142.07729	18.4
143.08528	24.8
144.09285	6.5
145.10103	31.1
147.08081	6.6
147.11636	11.8
149.09615	7.3
149.13246	1.9
151.11130	21.5
153.06966	2.1
154.07733	2.1
155.08534	9.3
156.09334	9.9
157.10086	24.4
159.07994	3.2
159.11641	16.4
161.09596	1.9
163.11093	2.8
165.06970	4.0
167.08508	7.2
168.09322	8.0
169.10115	12.0
170.10846	2.8
171.11630	12.7
173.09602	2.1
173.13220	7.1
175.11095	3.0
178.07759	1.7
179.08485	10.0
180.09344	2.7
181.10066	8.7
182.10851	3.1
183.11713	11.4
185.13220	9.1
187.14737	2.4
189.12682	3.2
192.09386	2.4
193.10057	6.8
194.10780	3.1
195.11612	7.3
196.12527	2.0
197.13193	8.2
203.14279	3.2
205.10027	3.2
206.10858	3.8
207.11615	7.4
208.12387	2.3
209.13205	11.3
210.14030	1.9
211.14688	2.2
215.14351	2.1
219.11595	2.5
220.12505	1.7
221.13278	3.7
223.14783	2.7
233.13152	3.1
235.14809	2.9
302.14667	1.8
433.31314	3.7
433.36719	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03386	0.2
69.90470	0.2
72.08127	0.3
73.64710	0.2
83.75795	0.2
85.02876	0.3
85.40991	0.2
104.82275	0.2
107.00588	0.2
125.05956	0.6
151.03894	1.5
193.71719	0.3
201.03751	0.3
259.07834	0.3
271.11499	9.1
343.09879	0.4
401.14050	0.6
433.16718	100.0
434.17078	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2348
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.00286	1.4
53.03931	2.6
53.25437	1.1
53.58830	1.1
55.05505	23.9
57.03430	22.5
57.07054	2.4
65.03916	1.6
67.05493	85.9
69.07056	17.3
74.65224	1.3
79.05476	45.0
81.07038	87.0
82.72797	1.4
83.08610	9.4
85.06529	1.8
91.05466	21.8
91.57247	1.3
92.09130	1.6
93.07021	65.8
93.60970	1.3
95.04933	3.4
95.08585	69.6
97.06496	1.4
98.98449	100.0
99.08033	1.8
105.07018	25.1
107.08582	33.3
109.06541	2.1
109.10139	29.9
116.99480	5.2
117.07021	8.0
119.08558	15.3
121.10132	30.6
123.11692	10.6
131.08572	15.4
133.10086	16.4
135.08031	2.2
135.11668	20.5
137.13226	1.8
144.04738	1.5
145.10123	9.7
147.11691	5.8
149.13202	10.7
155.01039	9.6
157.10117	1.6
157.27652	1.4
159.11684	9.0
161.13234	5.9
163.14825	3.1
169.56314	1.5
173.02113	8.1
173.13277	6.5
177.16362	2.7
187.14798	2.5
201.16286	1.6
243.21011	10.0
261.22052	27.6
284.94070	1.5
317.24722	5.8
335.25720	94.6
395.64426	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01306	0.2
54.82317	0.3
59.91671	0.2
64.34075	0.2
72.08135	0.3
73.02880	0.3
85.02876	0.3
89.87865	0.2
90.50076	0.2
92.08733	0.3
92.09219	0.4
125.05971	0.3
148.04654	0.3
151.03902	1.3
192.15823	0.2
259.07846	0.3
271.11502	7.2
271.14410	0.4
299.10828	0.3
315.91278	0.3
343.10132	0.3
357.93283	0.3
369.11581	0.3
401.14075	0.5
433.16714	100.0
434.17078	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.3
53.03940	3.0
54.82306	0.2
55.01846	0.4
55.05499	1.9
57.03417	1.1
57.03660	0.1
59.04988	0.2
61.02900	0.2
61.63753	0.1
67.05486	2.1
69.03413	6.7
69.07053	1.2
71.04976	1.3
72.34772	0.2
73.02901	0.3
77.03903	0.3
79.05003	0.2
79.05472	7.7
81.03397	11.2
81.07037	3.7
83.04962	3.0
83.08589	0.2
84.05292	0.3
85.02885	10.4
85.06519	0.7
91.05443	2.2
93.04265	0.2
93.07022	4.5
94.07355	0.4
95.04942	6.4
95.08580	3.9
96.08890	0.4
97.02873	8.1
97.03493	0.4
97.06512	0.7
97.10121	0.4
99.04424	1.5
100.70024	0.2
104.04945	0.8
105.03370	100.0
105.07003	6.9
106.07331	1.7
107.04917	0.3
107.08569	3.9
108.08909	0.7
109.02863	6.9
109.06474	0.9
109.10118	2.0
110.09380	0.2
111.04436	0.2
111.08054	0.3
117.06989	0.3
119.08554	6.0
120.08887	1.2
121.06490	0.4
121.10122	4.0
122.10440	0.7
123.04400	12.3
123.08065	0.7
123.11697	0.4
125.09598	0.3
127.03886	5.1
129.06961	0.3
131.08537	1.1
132.04424	17.3
133.06401	0.2
133.10095	3.8
134.10466	0.8
135.08049	0.4
135.11626	0.4
137.09578	0.7
143.08504	0.3
145.04950	1.9
145.10091	1.5
147.08092	0.2
147.11656	2.1
148.11975	0.3
149.09636	0.8
149.13303	0.2
151.11096	0.2
155.08606	0.3
157.10112	1.2
159.11671	2.9
160.12001	0.4
161.09563	0.4
161.13225	8.2
161.14534	0.3
162.05524	0.2
162.09805	0.2
162.13580	2.6
165.05426	0.2
171.11658	0.3
173.13257	0.3
175.11151	0.3
175.14804	0.3
179.10670	0.3
181.04964	0.9
189.16370	0.9
191.10605	0.3
199.14781	0.7
206.24803	0.2
217.15829	2.4
218.16202	0.9
231.06447	2.0
235.16879	4.9
236.17249	2.1
243.52954	0.2
249.07512	12.4
253.17924	0.2
267.08582	15.8
297.03879	0.3
394.29935	0.2
433.16071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.2
53.03930	0.4
55.01854	0.3
55.05509	1.5
55.80966	0.1
57.03426	5.4
57.07055	0.2
57.73667	0.1
58.91150	0.1
59.04992	0.3
61.02895	0.3
65.03899	0.2
65.86195	0.1
67.05490	2.0
68.99770	0.6
69.03415	1.8
69.07047	1.6
70.03748	0.2
71.04974	23.0
73.02905	0.7
73.60818	0.1
75.04451	1.0
79.05472	2.2
80.05775	0.2
81.03395	1.0
81.07022	3.4
83.04961	2.1
83.08613	0.6
84.08181	0.2
85.02885	23.6
85.06516	0.7
86.03239	0.2
86.09665	0.2
87.04436	0.6
88.04716	0.2
88.10643	0.1
91.05457	2.3
92.05807	0.3
92.09122	0.6
93.06999	3.1
94.07336	0.2
95.04938	1.4
95.08576	2.5
97.02856	1.1
97.06493	0.9
99.04384	0.6
101.05983	0.3
104.19266	0.1
104.94412	0.1
105.02685	0.2
105.03370	4.1
105.07006	4.0
106.03686	0.9
106.07354	0.3
107.04916	0.7
107.08588	3.0
108.08902	0.2
109.02844	0.7
109.06500	0.9
109.10132	1.7
111.00771	1.3
111.04392	0.6
113.05994	0.2
114.06400	0.2
115.05354	0.2
117.06964	0.6
119.08549	3.3
120.08841	0.2
121.02837	4.1
121.06451	0.3
121.10120	1.8
123.04409	0.8
123.08054	0.6
123.11636	0.4
125.09589	0.4
127.03870	0.7
128.06165	0.2
129.05453	2.2
129.06979	0.8
130.02368	0.1
131.08545	1.9
132.08850	0.2
133.02835	0.3
133.10088	2.1
134.10390	0.2
135.08075	0.5
135.11665	0.7
137.02301	1.0
137.05956	0.2
137.09546	0.5
139.11148	0.2
141.09024	0.2
142.07759	0.6
143.08583	1.1
145.04993	0.2
145.06409	0.3
145.10124	1.1
146.10425	0.2
147.04416	1.1
147.07986	0.3
147.11668	1.4
149.09589	0.3
149.13303	0.3
153.00565	0.2
153.01801	5.4
153.02995	0.3
157.06487	0.3
157.10080	1.6
158.10452	0.2
159.07884	0.2
159.10529	0.2
159.11627	1.4
160.11993	0.4
161.05949	0.3
161.09587	0.2
161.13196	0.7
163.03828	0.2
163.11198	0.2
165.01784	2.8
165.12788	0.2
167.10611	0.4
171.04430	0.2
171.11681	0.3
173.13165	0.2
175.11172	0.3
175.14844	0.2
177.12712	0.2
179.10605	0.2
179.66631	0.1
181.04893	0.3
181.12379	0.2
183.02864	1.4
185.05983	0.9
189.05461	0.4
189.16402	0.6
197.05882	0.3
199.14771	1.0
200.15166	0.3
203.07040	0.2
213.05392	2.1
217.15834	1.7
217.19417	0.4
218.16206	0.3
227.06935	0.3
231.06483	1.0
235.16850	1.6
236.17258	0.3
241.04919	0.8
250.07933	0.2
253.17836	0.8
254.08276	0.2
258.05219	1.7
259.05939	0.7
267.08624	0.7
268.09204	0.2
281.73865	0.2
287.05429	100.0
288.05637	1.3
362.53986	0.2
444.23499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
50.30649	0.1
51.50486	0.1
51.96309	0.1
53.03940	0.5
53.41949	0.1
55.01854	0.2
55.05498	0.9
55.74919	0.1
57.03426	6.2
59.04979	0.6
61.02621	0.1
61.02915	0.7
66.47586	0.1
67.05484	0.8
68.99782	0.6
69.03400	0.8
69.07053	0.3
71.01335	0.3
71.04973	32.7
73.02895	0.6
75.04459	0.9
79.05458	1.3
81.03406	0.8
81.07032	1.9
82.07358	0.2
83.04965	0.8
85.02886	29.8
85.06516	0.2
87.04452	0.9
91.05452	0.7
92.08602	0.2
92.09114	0.3
93.07011	1.2
95.04936	1.2
95.08586	0.9
97.02883	0.7
97.06494	0.2
97.10142	0.1
99.04416	0.6
105.03365	3.9
105.07014	1.8
106.03716	0.3
106.07314	0.2
107.04964	0.7
107.08566	1.3
109.02852	0.6
109.06464	0.1
109.10168	0.2
111.00820	1.0
111.04398	0.7
111.08090	0.1
117.07021	0.3
119.08547	1.5
120.08878	0.2
121.02837	3.9
121.06480	0.2
121.10135	0.7
123.04373	0.2
123.08060	0.3
125.09603	0.5
127.03876	0.5
129.05455	4.3
129.06944	0.2
131.08563	0.8
133.02811	0.5
133.10085	1.0
134.10510	0.1
135.04373	0.2
135.11678	0.3
137.02310	1.1
143.08516	0.6
144.09067	0.2
145.06473	0.3
145.10104	0.7
147.04381	0.6
147.06512	0.8
147.07953	0.2
147.11687	0.7
149.09550	0.2
151.11134	0.1
153.00563	0.2
153.01797	5.5
157.06454	0.5
157.10114	0.6
158.10515	0.2
159.11629	0.9
160.12036	0.2
161.05969	0.3
161.09616	0.2
161.13214	0.2
162.09818	0.2
165.01807	2.2
171.04375	0.2
173.13229	0.2
175.14752	0.3
181.04849	0.2
183.02847	1.4
185.05898	0.3
185.27881	0.2
185.29553	0.2
189.05455	0.2
189.16359	0.3
197.05872	0.2
199.14775	0.8
200.15173	0.2
203.06877	0.2
213.05431	1.9
217.15796	1.2
218.16205	0.2
230.98312	0.1
231.06494	1.0
235.16986	0.9
236.17317	0.2
241.04865	0.8
253.17917	0.2
258.05170	1.6
259.05881	0.6
267.08453	0.2
287.05429	100.0
288.05820	1.4
346.25116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	1.0
53.03931	1.5
54.81994	0.8
55.01861	3.4
55.05500	6.7
57.03416	1.2
57.07069	1.1
58.65398	0.6
59.04985	1.1
61.02906	1.5
63.00608	0.6
67.05492	12.6
69.03413	16.3
69.07054	61.2
71.04978	1.6
76.77075	0.8
79.05454	7.5
81.03403	1.6
81.06596	1.6
81.07038	28.4
83.04958	1.8
83.08598	4.7
85.02892	15.3
85.06522	3.3
91.05452	10.7
92.08825	3.4
93.07029	22.6
95.04960	3.3
95.08585	20.6
97.02865	7.0
97.06564	2.3
97.10130	1.1
99.04415	0.9
105.07014	39.2
107.08581	33.3
109.06507	5.5
109.10143	31.4
111.08053	1.3
117.07002	1.2
119.08553	32.3
120.08928	0.8
121.06493	3.2
121.10126	23.3
123.08053	3.1
123.11755	0.9
125.06024	1.0
125.09573	3.4
126.19128	1.0
129.07024	0.8
131.08546	14.9
133.10109	70.4
135.08020	1.9
135.11684	14.9
137.09625	5.3
137.13258	1.6
139.11160	3.0
143.08549	7.5
144.55243	0.8
145.04918	1.6
145.10085	1.3
146.07193	1.6
147.08037	12.8
147.11641	11.8
149.09583	22.6
149.13232	1.4
151.07500	1.2
151.11182	1.7
157.10135	7.8
159.11646	6.6
161.09587	100.0
161.13214	1.7
163.14815	0.9
165.09109	4.0
167.10643	42.0
171.11687	1.5
173.13226	3.2
175.11156	5.2
175.14778	26.4
177.12662	1.3
179.10628	27.3
189.16338	22.1
191.17949	5.7
193.15884	3.4
199.14830	8.5
207.17433	0.9
217.15840	34.3
235.16875	47.2
253.17934	35.8
378.04080	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36268	0.2
53.03936	0.4
55.01864	0.2
55.05502	0.3
55.72820	0.1
57.03429	1.2
59.04983	1.0
61.02914	2.0
69.03416	3.2
69.07056	1.4
71.04978	1.0
73.02899	0.7
73.06541	3.5
79.05483	0.3
81.03407	1.4
83.04950	0.3
85.02893	15.6
86.09679	0.2
87.04445	0.4
87.08092	0.3
89.06029	1.2
89.20403	0.2
91.03925	1.2
91.05463	0.2
91.07565	0.9
93.07014	0.7
96.64089	0.1
97.02866	3.8
99.04447	0.8
100.01733	0.2
101.06013	1.4
103.05449	4.6
107.04955	1.6
109.02892	1.3
115.03902	0.2
116.65128	0.2
120.08086	100.0
121.08412	1.3
127.03908	3.8
128.98529	0.2
131.04900	2.9
137.74002	0.2
145.04955	4.6
149.05963	1.5
153.07533	0.2
163.05986	1.8
166.08609	30.1
167.09001	0.3
173.34193	0.2
249.23779	0.2
253.12762	0.3
325.11206	0.3
379.15988	0.2
395.09341	0.2
433.16754	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	432.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
55.01851	0.3
55.02287	0.2
55.05488	0.4
56.05012	0.4
57.03416	1.8
59.90508	0.3
61.02900	1.6
65.43358	0.2
68.05015	3.6
69.03131	0.3
69.03419	4.6
70.06574	4.1
71.01341	0.3
71.04965	1.0
72.08116	0.5
73.02892	1.2
74.06026	0.3
81.03406	1.1
81.87878	0.3
84.08128	1.2
85.02886	7.3
85.06537	0.5
86.06052	2.3
86.09677	3.7
87.04441	1.3
87.09991	0.5
89.06009	0.3
91.03886	0.3
94.03981	0.3
95.06068	0.4
96.04462	0.5
97.02870	3.7
97.07617	0.4
98.06030	3.7
98.97546	1.1
99.04439	0.6
105.75436	0.3
108.67139	0.3
109.02855	1.3
110.09703	0.3
112.08697	0.5
113.07084	0.4
116.07075	0.6
119.01889	0.4
119.03546	1.4
120.08070	4.4
123.05546	1.3
127.03905	2.1
131.00133	0.3
132.10178	1.3
133.03252	0.4
136.06160	100.0
137.04634	2.0
137.06648	1.8
141.06551	5.3
145.04936	1.1
148.07503	0.4
150.05759	0.4
152.05690	1.8
157.03470	0.4
163.04425	0.3
164.11823	1.2
165.10196	10.1
170.06795	0.3
175.04434	0.4
183.11238	2.4
192.11256	1.0
193.09651	1.1
194.10468	0.3
196.65976	0.3
210.12335	5.9
211.10739	30.9
219.01688	0.9
221.05046	1.0
237.02881	1.2
253.12642	0.4
259.06662	1.0
264.75690	0.3
287.78622	0.3
292.99060	0.3
326.91278	0.3
372.17435	0.3
373.15942	18.9
432.20795	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	432.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15954	0.2
53.03932	1.3
55.01857	0.6
55.05502	1.7
57.03422	1.5
57.06806	0.4
57.07064	5.7
59.04994	0.5
61.02909	1.4
62.37722	0.2
66.56036	0.2
67.05142	0.4
67.05493	9.5
69.03407	3.7
69.07042	1.4
71.04974	2.1
73.02917	0.4
77.03893	0.3
79.05476	8.2
79.72406	0.2
81.03394	3.9
81.07042	4.5
83.04967	1.0
83.08630	0.3
85.02892	11.6
85.06527	100.0
86.06884	0.3
91.05461	3.6
92.08865	0.9
93.07023	4.0
95.04938	5.3
95.08594	3.0
97.02882	3.6
97.06499	1.8
99.04440	0.4
105.03374	36.4
105.07015	7.2
107.08572	4.0
109.02872	2.1
109.06499	1.2
109.10137	2.2
111.08050	0.2
113.05984	4.5
117.07021	1.4
119.04867	0.3
119.08564	5.8
121.06490	1.5
121.10101	2.0
123.04404	13.5
123.08048	1.2
123.11678	0.6
125.06110	0.3
125.09635	0.9
126.68983	0.3
127.03874	2.1
128.06189	0.4
129.06992	0.5
131.07019	12.7
131.08537	4.3
133.10115	2.9
135.08061	1.1
135.11687	0.5
137.09557	0.4
142.07753	1.6
143.08546	4.5
145.04965	0.5
145.10117	2.2
147.07967	0.3
147.11636	3.1
149.09598	1.6
151.11159	1.0
156.09366	0.3
157.10101	4.0
159.11642	3.1
161.09637	1.3
161.13257	0.9
163.11208	0.4
165.12752	0.5
167.06949	0.3
171.11656	0.5
173.13239	0.9
175.11180	1.5
175.14778	0.6
187.14731	0.2
189.16391	0.9
199.14807	4.1
217.15848	4.6
235.09663	0.5
235.13324	0.9
235.16904	3.3
249.07578	1.3
253.10616	4.1
253.17989	0.4
267.08591	3.4
374.78009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.2
53.03941	3.3
55.05485	0.3
57.03418	1.2
57.07038	0.3
60.06316	0.2
61.02903	0.5
66.17320	0.2
67.05492	0.5
69.03071	0.4
69.03419	7.0
69.03788	0.2
69.07062	0.3
71.04967	1.2
73.02882	0.3
73.43458	0.2
77.03900	0.3
79.05473	6.5
81.03402	11.7
81.07033	1.2
83.04941	0.9
85.02888	11.8
85.06493	0.4
91.05466	0.9
92.08683	0.2
92.09225	0.3
93.07039	1.2
95.04945	5.2
95.08591	0.5
97.02870	6.6
97.06527	0.4
99.04435	2.0
100.10578	0.2
103.07567	0.2
105.03372	100.0
105.07007	2.5
107.08572	1.0
109.02862	7.3
109.10153	0.4
113.06008	0.4
117.96944	0.2
119.08553	1.7
121.10121	0.8
123.04407	13.8
127.03886	5.3
131.08553	1.0
133.10110	1.5
142.07751	0.5
143.08540	0.3
145.04971	1.1
145.10129	0.8
147.11687	0.4
149.09613	0.4
157.10114	1.3
159.11682	1.1
166.08635	1.1
171.11618	0.3
174.53224	0.2
199.14827	1.1
217.15883	1.2
231.06575	1.0
235.16968	1.8
249.07549	10.7
255.76872	0.2
267.08569	20.5
271.06009	0.3
335.16190	0.3
373.25342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.2
53.03939	2.9
55.01865	0.4
55.05490	0.4
57.03425	1.1
57.07066	0.2
61.02902	1.1
67.05479	0.4
69.03414	8.5
69.07050	1.4
71.04974	1.3
73.02905	0.4
77.03902	0.4
79.05475	8.0
81.03402	11.1
81.07039	2.4
83.04979	1.6
83.08605	0.4
85.02888	13.7
85.06536	2.3
91.05476	2.0
92.09100	1.2
93.07022	2.9
95.04954	6.6
95.08584	2.4
97.02868	5.0
97.06504	0.3
99.04438	1.7
105.03375	100.0
105.06999	4.5
105.88700	0.3
107.08569	2.6
109.02860	7.4
109.06496	0.5
109.10138	1.9
110.39107	0.2
111.08092	0.3
113.06026	0.9
117.06969	0.4
119.08566	5.4
121.06476	0.2
121.10091	1.6
122.10501	0.3
123.04409	14.6
123.08041	0.5
127.03897	5.6
128.06219	0.4
129.06947	0.4
131.08551	2.2
133.10114	4.3
135.08044	0.6
135.11649	0.3
137.09625	0.9
142.07765	0.9
143.08568	2.5
145.04976	1.3
145.10109	2.0
147.11661	2.0
149.09615	0.9
149.13164	0.2
156.09393	0.2
157.10121	3.0
159.11650	2.5
161.09584	0.5
161.13252	0.5
165.05365	0.3
165.12758	0.4
171.11687	1.2
173.13185	0.5
175.14786	5.8
177.36124	0.3
179.10576	0.2
189.12701	0.3
189.16379	0.5
193.15837	2.6
199.14803	2.3
203.87769	0.2
217.15884	2.7
231.06482	1.7
235.16925	1.7
249.07544	9.4
253.17966	0.3
267.08578	24.3
441.69461	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37954	0.3
53.03938	1.7
55.01858	0.4
55.05503	2.1
57.03423	0.7
59.05005	1.5
61.02920	0.6
61.31700	0.4
67.05501	2.8
69.03418	4.2
69.07050	1.7
71.04980	2.5
73.96281	0.4
76.55630	0.4
79.05470	5.0
81.03397	3.5
81.07038	6.7
83.04963	0.8
85.02889	8.0
85.06524	0.5
89.03886	4.7
91.05457	4.2
92.08788	2.0
92.09355	0.8
93.07015	5.6
93.96521	0.4
95.04931	3.5
95.08598	4.0
97.02864	2.4
99.04405	0.8
101.06013	0.8
103.05434	0.6
105.01868	0.6
105.03367	24.9
105.07005	13.7
106.02871	0.4
107.08571	4.1
109.02862	2.6
109.06456	1.5
109.10144	1.0
113.05988	4.3
117.03352	26.7
117.06989	1.6
119.08536	6.3
121.06509	0.6
121.10093	0.9
123.04405	4.2
123.08009	0.9
124.03941	0.7
127.03889	1.9
128.06189	5.9
128.07057	0.6
129.06975	2.8
131.07059	0.9
131.08548	7.0
133.10103	5.0
134.03600	0.7
135.04381	2.2
135.07977	0.6
141.06981	0.6
141.09084	0.5
142.07753	7.2
143.08536	45.9
144.09308	0.9
145.02823	80.1
145.10089	4.6
146.03143	0.7
147.04381	0.7
147.08031	0.5
147.11633	2.0
149.05956	10.0
149.08038	1.8
149.09628	0.7
155.08484	0.5
155.54555	0.4
156.09326	2.5
157.10089	15.3
159.11647	8.4
161.09601	1.5
161.13219	1.5
163.03839	0.8
171.11653	3.8
175.11108	0.7
175.14748	0.6
177.05429	100.0
178.05739	0.9
184.12360	0.4
187.14735	0.4
189.16338	1.7
195.06520	0.6
199.14774	7.0
217.15788	4.8
235.16824	2.6
249.07561	2.2
253.10547	0.9
253.18063	0.5
267.08597	6.5
321.09521	0.6
339.10452	2.9
397.21783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66072	0.2
54.81671	0.2
55.01844	0.2
55.05503	6.4
55.32481	0.2
57.03422	0.2
57.05802	0.4
57.50399	0.2
59.04954	0.2
60.19268	0.2
62.53708	0.2
69.03392	0.7
70.06567	0.4
72.08136	100.0
84.08125	0.4
85.02890	1.5
90.05542	2.2
92.09082	1.1
97.02855	0.9
116.07092	0.8
117.84265	0.3
118.08630	37.3
119.04991	0.2
124.03910	0.3
127.03928	0.9
130.08632	0.4
135.04370	0.2
217.03157	0.2
219.29440	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84576	0.2
51.02368	0.2
53.03940	3.7
55.01866	0.4
56.03082	0.2
57.03419	0.9
59.05014	0.2
59.54535	0.2
61.02907	0.5
69.03416	6.1
71.04976	1.1
73.02911	0.4
77.03905	0.4
79.05473	4.5
81.03402	16.5
85.02415	0.4
85.02889	6.6
91.05439	0.3
92.09181	0.6
93.07066	0.2
95.04950	5.0
97.02254	0.5
97.02870	10.8
99.04445	2.4
100.24630	0.2
105.03378	100.0
106.03705	0.4
109.02861	9.4
112.75644	0.2
114.18189	0.2
119.08569	0.3
123.04411	7.4
127.03905	6.0
131.08597	0.8
137.05997	0.2
145.02876	0.8
145.04929	2.1
145.10054	0.2
157.10121	0.4
159.11697	0.3
177.05496	1.1
181.04936	1.2
221.08206	0.3
231.06462	0.3
239.64481	0.2
249.07533	22.2
267.08566	11.9
339.57770	0.2
403.13651	0.3
431.22382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.3
51.73626	0.1
53.03722	0.2
53.03942	3.7
55.01862	0.2
55.05496	0.2
57.03421	1.1
57.33583	0.1
57.75999	0.2
59.04965	0.2
61.02909	0.4
67.05499	0.4
67.64408	0.2
69.03031	0.2
69.03414	6.5
71.04972	1.7
73.02889	0.3
73.81423	0.2
77.03902	0.4
79.05472	3.9
81.03401	16.0
81.07032	0.8
83.04964	0.9
85.02886	7.7
85.06497	0.3
86.09734	0.2
91.05471	1.3
93.07019	0.4
95.04943	6.1
95.08569	0.7
97.02871	10.4
97.06473	0.3
99.04427	2.7
103.05446	0.4
105.03372	100.0
105.10020	0.2
106.02911	0.3
106.03696	0.4
107.08589	0.2
109.02859	9.6
109.10174	0.3
113.05962	0.3
119.04894	1.4
119.08562	0.7
121.06450	0.4
123.04398	8.3
124.03945	1.2
127.03894	5.8
129.07011	0.2
131.04930	1.6
131.08540	0.4
133.10115	0.9
143.08568	0.5
145.04936	1.8
145.10057	0.5
147.04378	4.7
157.10101	0.4
159.11668	0.4
161.09639	0.3
163.03899	0.4
175.10947	0.2
177.05486	0.8
177.12685	0.2
187.14809	0.2
199.14862	0.3
217.15881	0.4
228.13846	0.3
235.16986	0.3
237.14336	0.4
246.14873	1.0
249.07516	21.8
250.07860	0.3
267.08563	14.8
268.08151	1.3
411.05997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.05495	0.8
57.03418	0.3
57.07049	0.2
61.02914	0.3
61.35874	0.1
64.33645	0.2
64.75024	0.1
67.05478	1.1
67.60508	0.1
67.68777	0.2
69.03407	2.4
69.07043	0.8
71.04963	1.1
78.05297	0.2
79.05470	1.9
81.03397	2.0
81.07030	2.2
83.04955	1.2
85.02885	2.6
85.06534	0.4
91.05452	1.6
93.07017	4.2
94.06540	0.2
95.04926	1.1
95.08591	1.9
97.02856	1.3
97.06499	0.9
99.04421	0.4
105.03372	7.5
105.07012	4.1
107.04940	0.3
107.08572	2.7
109.02853	0.9
109.06502	0.9
109.10128	1.4
110.06011	0.3
117.06991	0.4
119.08558	2.6
121.06461	0.7
121.10115	4.8
122.05992	0.4
123.04408	0.7
123.08013	0.3
123.11670	0.3
125.09633	0.4
127.03902	0.7
129.06960	0.4
131.08533	2.0
133.10107	1.7
135.07922	0.2
135.11642	0.3
137.09541	0.3
138.05470	11.9
138.06522	0.4
142.07756	0.4
142.91988	0.2
143.08511	1.1
145.10089	1.6
147.07985	0.3
147.11693	1.0
149.09604	1.2
150.09151	0.2
157.10062	1.7
159.11674	2.2
161.09602	0.7
161.13159	0.3
166.04961	100.0
167.05302	0.2
167.10602	0.2
171.11613	0.2
173.13240	0.8
175.11058	0.3
175.14722	0.3
177.12769	0.3
179.58720	0.2
181.04936	0.2
187.14833	0.3
189.16342	0.7
192.01140	0.2
199.14822	1.7
207.85992	0.2
217.15813	2.2
226.95157	0.2
235.16855	2.7
249.07512	1.1
267.08588	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	432.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.4
53.03928	2.0
55.05487	1.6
57.03422	1.9
57.07056	0.8
61.96000	0.3
65.03931	0.5
67.05480	2.0
69.03416	6.6
69.07045	0.8
71.04964	1.7
73.02876	0.5
78.03435	5.9
79.05473	3.7
80.04972	0.6
81.03397	11.0
81.07043	2.7
83.04961	2.2
83.08578	0.6
85.02892	8.4
85.06522	1.5
89.03927	0.5
91.05458	11.6
92.08884	0.7
93.07024	4.5
95.04937	5.7
95.08581	2.7
96.04459	1.8
97.02874	5.3
97.06507	0.6
98.97540	0.5
99.04433	2.3
101.92267	0.3
103.05444	0.7
105.03373	27.1
105.07005	5.8
106.02902	26.1
106.03687	2.8
107.08618	2.5
109.02867	5.4
109.06506	1.5
109.10156	2.5
111.08041	0.6
113.06000	0.8
117.03359	2.3
117.06973	1.6
119.04915	31.5
119.08537	4.9
121.02841	0.6
121.06486	8.0
121.10102	1.6
123.04410	11.5
123.08023	0.4
123.11690	0.4
124.03930	41.5
127.03898	3.3
129.06947	0.8
131.08525	3.9
133.10120	4.2
133.21240	0.4
135.08047	0.4
135.11667	0.5
137.09596	0.5
142.07738	0.6
143.08563	3.4
144.09329	0.4
145.02829	6.4
145.04922	0.5
145.10109	2.2
147.04387	100.0
147.11646	1.6
148.04715	0.6
149.05988	0.5
149.09578	0.8
151.11172	0.7
157.10091	5.1
159.11650	3.2
160.64644	0.4
161.09602	1.5
165.05452	0.8
166.04988	0.7
171.11662	0.7
175.11217	0.7
175.14722	2.7
177.05429	9.1
189.12656	0.5
189.16360	1.7
193.15877	0.7
199.14752	2.7
217.15895	4.2
235.13196	0.8
235.16922	2.8
249.07494	2.6
250.07051	4.1
267.08630	3.9
268.08118	12.9
303.65472	0.4
414.11771	4.0
432.12805	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	431.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38473	0.2
52.93699	0.2
53.03943	2.7
54.41924	0.2
55.01858	0.6
55.05508	0.3
55.72182	0.2
56.96553	0.3
57.03419	1.7
61.02908	0.4
65.03909	0.5
65.65911	0.3
67.05486	1.2
69.03415	10.7
69.07037	0.3
71.01321	0.3
71.04979	1.8
73.02887	1.1
78.42887	0.2
79.05468	1.2
81.03398	18.5
81.07029	2.1
83.01274	0.2
83.04990	0.3
85.02361	0.3
85.02887	8.9
87.04465	0.5
91.05458	100.0
92.05775	0.4
92.08643	0.3
92.09148	0.6
93.07018	1.5
95.04943	0.5
95.08593	0.6
96.05281	0.3
97.02864	12.4
99.04430	6.2
101.02306	0.3
105.03370	1.5
105.07001	1.3
107.08568	0.5
109.02859	9.9
109.10178	0.5
111.08128	0.4
115.66695	0.2
116.04953	7.4
119.04925	0.4
119.08566	0.3
121.06487	0.3
127.03893	14.6
131.08496	0.3
135.08147	0.4
137.05962	3.2
145.04933	11.1
145.10063	0.3
147.08018	0.3
147.11638	0.3
157.10101	0.3
159.11655	0.4
209.08109	0.5
214.48926	0.3
232.12569	0.3
263.09082	12.6
281.10086	4.7
330.21097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.3
52.31014	0.3
53.03941	5.7
54.07602	0.3
55.01861	2.9
56.35170	0.3
57.03417	1.7
61.02879	0.4
61.69579	0.3
65.03903	0.3
67.05473	0.4
69.03419	5.8
69.07042	0.5
71.01350	0.5
71.04976	0.7
72.71686	0.4
73.02900	0.6
79.05474	4.8
81.03402	10.4
81.07032	0.9
85.02887	7.8
91.05469	1.6
92.08717	1.2
92.09309	1.2
93.07029	0.8
94.04146	0.6
95.04944	11.6
95.08559	0.4
97.02870	10.5
99.04459	1.1
103.03916	1.7
105.03369	100.0
105.04513	3.4
105.07017	0.7
107.08578	0.8
109.02872	3.9
109.10155	0.6
111.08051	0.4
115.03927	1.2
115.05426	0.7
117.06987	4.3
119.08521	0.5
122.03585	3.2
123.04390	4.3
127.03896	2.6
128.06180	0.4
129.06987	2.1
130.02792	0.3
131.04910	0.5
131.08540	1.3
133.06473	0.4
137.05949	38.8
141.06972	0.6
145.04854	0.4
145.05241	0.4
145.06471	9.6
151.03835	0.8
155.08598	0.4
157.06429	2.4
157.10101	0.4
158.07286	0.5
159.08008	0.7
159.40236	0.3
160.05182	2.9
167.08534	1.4
171.08063	0.5
174.06752	2.8
175.07484	4.8
177.09056	7.0
181.06465	0.5
187.07587	0.6
189.09042	5.0
191.07011	0.5
195.08084	2.4
196.51576	0.3
201.09082	4.0
205.08611	0.5
212.08295	0.7
213.09239	1.0
217.08690	0.4
219.10197	0.6
223.07669	0.5
227.10712	1.7
229.08736	0.6
231.10229	0.4
237.07608	2.5
240.07870	0.5
245.11655	1.2
249.07497	7.3
255.10231	2.6
262.06104	0.4
267.08606	0.6
273.11163	5.1
291.12204	0.6
410.39771	0.4
426.99948	0.4
431.26883	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	431.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68594	0.1
55.01862	0.8
55.02979	0.1
55.05500	0.1
57.03228	0.1
57.03431	1.8
59.04977	0.7
61.02903	0.8
62.24883	0.1
62.75687	0.1
64.71088	0.1
69.03412	3.1
70.06567	0.5
71.01327	0.5
71.04977	1.1
72.08140	0.2
73.02898	1.0
81.03385	0.5
82.04034	0.1
83.04957	0.3
85.02883	6.9
86.03218	0.3
86.09684	0.1
87.04444	1.0
88.29419	0.1
89.06004	2.8
90.06322	0.3
91.03928	0.2
94.04018	1.2
97.02867	2.5
98.03236	0.2
98.97577	0.2
99.04425	0.5
101.05999	0.2
103.03947	0.3
105.02867	0.1
105.05521	0.1
109.02865	0.5
109.31621	0.1
110.03500	1.7
111.04410	0.2
112.05074	0.1
115.03908	0.5
119.03486	1.1
121.06497	0.2
123.05484	0.2
127.03899	1.4
127.49511	0.1
129.05458	0.5
133.04970	0.2
136.06146	2.1
136.38434	0.1
136.91893	0.1
137.04559	100.0
138.05006	0.1
145.04913	1.4
146.05238	0.2
163.05962	0.2
167.06982	0.2
168.07446	0.1
183.08612	0.5
184.40326	0.1
189.04008	0.1
197.08025	0.2
276.28506	0.1
382.09039	0.1
385.94617	0.1
430.15283	0.2
431.15866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24229	0.3
51.89654	0.2
55.05493	1.2
55.57930	0.2
56.70546	0.3
57.07071	3.9
65.23281	0.3
67.05495	3.0
69.07040	0.6
71.08597	2.2
72.08943	0.4
75.80055	0.3
81.07010	2.2
83.08615	0.6
85.10167	0.6
91.05470	0.4
92.08846	1.4
93.07005	1.8
95.08575	2.3
107.08560	1.3
109.06424	0.4
109.10140	5.8
111.04414	0.4
119.08562	2.7
121.06477	10.9
121.10072	0.5
122.07236	2.2
122.10456	0.4
123.07992	0.4
125.05923	0.3
131.08487	0.4
131.36717	0.3
135.08002	2.4
136.08810	14.1
137.09602	13.6
138.09882	0.6
145.10101	0.4
149.05984	0.4
149.09601	3.7
150.09872	0.6
151.07550	0.6
152.08255	0.6
159.11673	0.6
162.06740	0.5
163.11154	3.1
164.08302	28.0
164.11429	1.4
165.09081	100.0
166.09419	5.9
172.85617	0.4
175.07457	0.5
175.11110	0.5
176.11502	0.4
177.09077	3.3
177.12704	0.7
187.11093	0.7
190.09926	0.6
191.10608	1.9
192.10912	0.5
203.10861	0.3
205.12218	7.1
206.12491	0.5
390.08368	0.3
429.37167	0.5
430.37921	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
54.70860	0.2
54.81866	0.3
55.01862	0.5
55.05489	0.2
57.03215	0.2
57.03431	3.4
58.61619	0.2
59.31965	0.3
61.02897	0.3
64.63640	0.2
67.05483	0.4
69.03408	1.9
71.04966	1.1
79.05469	1.0
81.00352	0.3
81.03409	2.1
81.07031	1.4
83.04934	0.4
85.02895	4.0
85.78106	0.3
87.20329	0.2
91.05460	18.0
92.08743	0.6
92.09278	0.4
93.07014	0.3
95.04924	1.3
97.02868	2.1
99.04437	0.6
102.09035	0.2
102.42858	0.3
105.03374	10.7
105.07001	1.2
107.08578	0.4
109.02858	1.5
109.06499	2.0
115.05420	0.3
117.06982	0.6
117.83742	0.3
119.04920	13.0
119.08560	0.3
123.04414	1.6
123.08035	0.3
127.03902	0.6
128.06227	1.0
129.06975	1.1
131.04947	0.4
131.08522	1.2
133.06438	1.2
133.10129	0.3
137.05956	100.0
138.06297	0.3
141.06976	1.3
143.04900	0.4
143.08563	1.8
145.04958	0.3
145.06473	1.5
145.10132	0.3
147.04382	3.1
148.06046	0.4
149.05916	1.2
153.06783	0.4
154.07744	1.5
155.08530	0.5
157.10036	0.5
158.07269	0.3
159.08025	1.2
159.11610	0.6
160.05203	0.5
161.05945	5.2
161.09590	0.5
163.03874	0.3
163.07501	0.5
167.08646	0.3
168.05777	0.3
169.06386	0.4
169.10127	2.6
171.08011	1.3
173.05995	1.1
173.09537	0.4
175.07414	0.3
177.09073	0.3
186.06779	0.4
187.07512	1.2
187.11188	1.1
189.09044	4.2
191.07004	1.1
191.10695	0.3
197.09581	1.1
197.13173	2.4
200.08334	0.3
205.12257	1.1
215.10609	3.0
233.11679	5.2
249.07462	1.2
251.12726	1.8
252.12791	0.3
267.08554	0.5
345.22211	0.3
429.20844	0.3
430.21240	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	430.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59299	0.4
53.03930	2.2
55.01854	3.6
56.96572	0.6
57.03426	7.4
57.26807	0.4
59.04997	0.7
61.02909	10.2
69.03411	20.9
70.06570	1.7
70.24455	0.5
71.04971	18.8
72.65431	0.5
73.02898	5.2
81.03393	8.3
83.04968	0.6
85.02885	100.0
86.09686	5.0
87.04440	3.2
87.09999	0.6
88.16682	0.4
89.06007	62.7
91.03920	5.0
92.08817	0.7
97.02866	26.5
99.04417	5.2
101.06013	1.0
107.04927	0.5
109.02856	8.4
115.03928	0.9
127.03880	22.5
132.10225	1.9
136.06157	11.5
136.07265	0.8
136.07565	0.7
137.04579	2.8
143.03424	0.5
145.04929	23.1
148.07515	0.6
150.05482	0.4
152.05754	0.6
152.07027	0.7
163.05988	10.2
167.07034	1.8
178.07175	0.9
197.08115	1.0
232.09460	0.6
233.10063	0.5
250.10818	0.9
251.11282	0.9
280.09995	0.5
294.32693	0.5
298.11398	2.4
325.11246	3.1
412.15753	1.0
430.16455	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	430.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03720	0.7
53.03939	12.1
53.24471	0.4
55.01867	13.3
57.03428	10.4
59.37678	0.4
60.04502	0.9
61.02914	9.2
63.79981	0.5
67.05515	0.6
68.99783	4.9
69.03414	42.6
69.07023	0.6
71.01357	0.6
71.04970	7.0
73.02900	11.0
81.03399	46.6
81.07007	0.8
83.01311	1.3
85.02889	100.0
87.00809	48.8
87.04419	0.8
91.03928	3.3
91.05471	0.9
92.09100	3.2
93.07014	1.0
95.04928	0.7
97.02870	40.0
99.04435	18.7
101.02341	1.0
103.03882	0.7
105.01842	24.5
105.03385	0.7
105.07009	6.2
107.08554	1.2
108.04475	5.7
108.89295	0.5
109.02860	39.4
109.03610	1.3
111.04390	0.5
115.03887	1.1
117.01817	7.7
117.06961	0.9
119.08538	1.1
121.10128	0.7
126.05508	4.0
127.03893	58.9
129.01811	6.1
129.02635	0.6
129.06902	0.9
131.08553	2.3
133.06448	5.9
135.08040	0.6
135.11705	0.8
137.05952	15.4
145.04936	26.4
145.06474	1.0
145.10066	1.1
147.02832	2.9
159.02855	25.4
159.11714	1.2
163.03784	0.9
165.09073	9.5
167.08405	0.6
173.13161	1.1
175.07556	1.0
175.11166	0.7
177.09097	4.1
184.88876	0.5
187.14766	0.6
189.03909	1.3
189.09125	4.7
191.07024	1.1
191.10597	0.7
195.07918	0.7
201.09142	0.8
207.10121	2.7
213.03891	1.0
213.09190	0.9
227.10635	0.6
230.06645	1.3
231.04948	11.1
231.09991	0.7
233.11679	2.9
233.15312	3.9
248.07611	3.1
255.10057	1.1
266.08612	0.9
273.11169	2.6
291.12308	0.9
339.99118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62691	0.8
53.03928	6.5
53.85709	0.8
55.01856	4.8
55.05502	1.1
55.56564	1.0
57.03429	11.2
59.04968	1.4
61.02909	5.4
68.99755	1.1
69.03412	66.6
69.07040	6.0
71.01328	2.0
71.04972	12.5
73.02894	2.3
79.05468	6.5
81.02930	1.6
81.03397	40.7
81.07026	6.2
83.01309	5.8
83.04943	1.3
85.02886	78.9
87.00806	39.7
87.04440	5.8
87.31939	1.0
91.05453	6.0
92.08704	2.0
92.09258	2.3
93.06999	3.9
95.04938	5.3
95.08540	2.2
96.56919	0.9
97.02866	100.0
97.06510	16.1
99.04430	26.8
101.02361	2.1
103.05444	2.0
105.01855	15.5
105.03371	29.6
105.07005	15.7
106.03726	3.7
107.08560	2.4
109.02852	16.7
109.06529	1.3
111.07999	1.7
115.03895	1.8
119.04910	1.7
119.08580	2.2
121.06490	1.2
121.10102	1.4
123.04395	4.5
124.05183	15.3
125.68482	1.0
127.03886	85.1
129.09131	1.3
131.04893	6.1
131.08473	1.3
133.06511	7.1
133.10091	4.6
135.07948	1.8
137.05948	34.8
145.04941	35.7
145.10107	2.0
147.07964	1.6
148.08328	1.0
159.11705	1.5
165.05399	4.4
165.09062	20.5
189.09018	1.3
191.07001	15.7
213.03831	1.8
215.10721	1.3
215.14406	1.3
220.69550	1.2
231.04953	29.9
233.11700	42.0
233.15361	4.2
249.05763	10.7
250.15158	1.9
250.29597	0.9
251.12727	8.4
266.08545	1.4
267.08545	2.1
359.14584	1.1
395.62100	1.1
411.50369	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.5
53.03939	11.1
55.01862	14.1
57.03428	9.6
60.04504	0.8
61.02910	8.0
67.81921	0.5
68.99770	4.2
69.03414	41.0
71.01324	0.8
71.04973	6.3
73.02895	13.3
75.55859	0.4
78.48085	0.5
80.05000	0.7
81.03398	46.0
83.01337	1.9
85.02887	100.0
87.00809	48.0
87.01354	1.2
87.04434	1.9
91.03930	4.9
92.08765	0.9
92.09271	1.0
97.02869	39.7
99.04431	20.2
101.02354	0.7
103.03921	1.0
105.01849	27.7
105.03365	2.8
105.07014	0.9
107.04908	0.5
108.04464	8.0
109.02860	41.3
115.03919	1.0
117.01832	6.6
124.05226	1.0
126.05466	4.5
127.03889	61.0
129.01788	5.4
131.08357	0.5
133.06490	1.1
134.65024	0.4
135.95528	0.6
137.05983	3.5
144.06561	0.5
145.04932	29.5
145.06087	1.0
147.02904	3.1
159.02858	23.1
165.09099	0.7
177.03961	0.8
189.03935	0.8
189.09059	4.0
207.10167	1.0
213.03941	3.3
230.06577	2.3
231.04961	11.0
231.10086	2.1
235.16299	0.5
248.07640	3.3
249.06079	1.2
273.11194	1.0
439.96640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
55.01883	0.5
55.05513	0.5
57.03433	0.6
61.02932	0.4
61.42754	0.3
62.20555	0.3
63.02360	0.4
65.77209	0.3
69.03410	4.5
69.07083	0.4
71.04992	1.7
71.80751	0.3
73.02895	0.5
76.65871	0.3
79.05450	2.6
81.03401	10.9
81.07076	0.6
83.05005	0.4
83.16877	0.3
85.02895	7.1
86.02000	0.3
86.09694	0.4
89.03890	5.1
89.06004	4.5
90.06377	0.5
90.90207	0.3
91.05472	0.7
93.07025	0.7
95.04964	1.5
95.08607	0.4
97.02889	4.6
97.06531	1.2
99.04452	1.5
105.03374	23.9
105.07001	0.6
107.68050	0.4
109.02869	5.2
109.06480	0.4
111.04448	0.5
117.02509	0.7
117.03359	19.7
119.04916	0.5
119.08523	0.6
121.06495	0.4
123.04408	3.1
127.03915	2.8
131.08566	1.3
133.10155	0.6
134.03633	1.3
135.04391	1.2
135.08075	0.5
137.05957	0.4
143.08519	0.4
145.02835	70.2
145.04861	1.8
145.10118	0.5
147.04402	0.7
147.11703	0.3
149.05957	9.5
157.10155	0.4
159.11658	0.4
163.03876	1.6
173.09578	0.7
175.14812	0.5
177.05437	100.0
178.05759	0.3
187.14815	0.4
195.06491	0.7
197.13246	0.4
215.14323	2.0
233.11771	1.3
233.15289	0.7
249.07614	2.8
267.08566	3.8
267.15665	1.2
293.88516	0.4
321.09674	4.7
339.10699	6.5
361.02094	1.2
397.56732	0.4
429.15268	0.6
429.20871	13.3
430.21152	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.3
55.05504	76.0
57.06808	2.0
57.07063	32.0
67.05489	47.6
68.04216	1.0
69.07052	100.0
71.08611	17.0
79.05470	6.7
81.07034	78.3
83.08598	71.3
85.06493	1.4
85.10144	8.7
88.02187	4.9
92.08655	3.4
92.09261	6.9
93.07026	1.6
93.68431	1.3
95.08579	80.5
97.10145	73.2
100.69170	1.2
105.06978	1.4
109.09401	1.5
109.10135	40.5
111.11691	29.1
112.21388	1.1
119.08449	1.2
123.11679	14.1
125.13246	9.7
137.13217	5.6
139.14758	1.7
151.14758	3.0
165.09044	7.8
165.16307	1.3
168.09982	1.4
177.12706	2.0
195.04771	1.3
236.12363	1.3
372.67703	1.4
375.39911	13.7
393.40826	3.0
429.31891	4.1
429.37131	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43243	2.2
54.81545	2.2
55.05502	72.9
57.07063	35.2
60.58691	2.4
62.86921	2.2
67.05488	52.1
69.07052	100.0
71.08621	22.0
79.05463	5.8
81.07030	82.4
83.08597	70.6
85.10149	13.0
92.09053	3.0
93.07022	6.1
95.08581	72.9
97.10150	65.1
97.24142	2.7
109.10123	37.4
111.11729	29.8
123.11652	20.2
125.13197	4.9
137.13248	6.5
142.22490	3.0
160.80251	3.2
163.11159	5.2
165.09074	30.4
177.09163	3.6
271.69250	2.9
375.39761	14.0
429.31693	5.8
429.37143	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	429.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	65.9
57.07076	39.5
61.71861	3.6
67.05499	47.2
67.39889	3.4
69.07058	100.0
69.27751	4.1
71.08608	24.0
79.05468	4.2
79.08358	4.2
80.40206	3.3
81.07032	74.0
81.63715	3.8
83.08604	71.2
85.10175	5.5
86.68377	3.6
93.07017	6.2
93.95345	4.0
95.08582	67.1
97.10152	77.1
107.08562	6.7
109.10131	37.1
111.11703	31.1
119.08500	4.4
123.11697	16.1
125.13273	8.8
132.46066	4.8
149.09560	4.5
165.09100	19.5
189.80150	4.4
271.99777	3.8
375.39792	8.1
429.31805	9.5
429.37158	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	429.3722
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.84608	0.4
53.47617	0.4
55.05499	4.3
56.62104	0.5
56.89589	0.5
57.07068	26.5
63.26374	0.5
67.05487	7.4
69.07050	4.5
71.08607	13.1
79.05482	1.1
81.07037	8.0
83.04966	1.3
83.08595	2.3
85.10154	6.3
88.28860	0.6
91.05461	2.8
92.08871	2.2
93.07018	3.1
95.08585	7.6
97.10138	1.3
105.07011	3.2
107.08582	9.7
109.06499	0.7
109.10144	7.7
111.02744	0.5
111.04433	1.2
117.07026	0.9
119.08579	4.9
121.06431	0.9
121.10111	6.3
121.76992	0.6
122.07243	0.8
123.08063	1.3
123.11679	1.0
130.07742	0.6
131.08524	3.9
133.10138	2.8
135.08034	7.7
135.11687	2.7
135.18982	0.5
137.09595	15.8
139.07515	2.8
139.47003	0.5
145.10101	4.7
149.09604	19.8
149.13148	0.5
151.07532	1.2
159.07994	2.2
159.11626	4.6
160.08812	0.8
161.09561	1.3
162.06786	2.3
163.07579	0.8
163.11137	20.9
165.09074	100.0
172.08705	0.6
173.09601	3.3
173.13202	2.2
174.10295	0.8
175.07521	1.2
175.11130	7.3
176.08324	3.2
177.09059	17.9
177.12688	2.7
179.10550	1.1
185.09567	0.7
186.10397	0.7
187.11145	4.6
187.14848	0.8
189.09055	0.9
189.12740	2.7
190.09897	2.5
191.10629	12.0
191.14259	0.8
201.12675	2.4
203.10658	2.5
203.14366	0.7
204.11522	1.1
205.12186	10.0
219.13748	4.2
233.15240	0.9
261.18576	0.9
303.23218	1.1
401.34052	0.9
411.35934	1.3
429.37180	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3724
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.80706	0.8
55.05506	7.5
55.05719	0.8
57.06813	1.1
57.07068	20.3
67.05489	9.6
69.03419	0.8
69.06715	0.9
69.07058	12.5
71.08611	11.2
79.05463	5.0
81.07038	30.9
83.04969	1.1
83.08601	4.4
85.10162	6.1
91.05455	5.3
93.07008	10.6
95.04980	1.0
95.08581	24.0
97.10163	3.9
98.31042	1.0
105.07003	7.6
107.04925	1.5
107.08567	12.1
109.10135	11.8
111.11687	1.6
117.07007	1.6
118.18143	0.9
119.08553	6.3
121.06481	2.1
121.10139	7.4
123.08017	1.5
123.11684	3.5
129.06987	1.0
131.08545	6.3
131.43150	0.8
133.10100	7.2
135.08054	4.1
135.11671	5.0
137.09598	6.3
137.13251	1.5
142.28973	0.8
143.08569	1.2
145.10158	5.9
147.07977	1.1
147.11688	4.7
149.09586	9.9
149.13249	1.7
157.10095	7.8
159.11653	5.7
161.09593	2.0
161.13234	1.5
163.11145	10.8
165.09081	43.5
165.10477	1.5
169.10081	1.2
171.11667	2.0
173.13214	2.1
175.11147	10.1
177.09081	5.3
177.12596	1.0
183.11746	0.9
189.09155	0.9
189.12607	0.9
191.10571	5.0
197.13228	1.6
199.14754	1.5
201.12715	1.5
203.10791	1.1
205.12201	5.1
211.14850	1.5
213.16316	1.5
215.14313	1.2
219.13797	1.8
225.16316	1.0
229.15808	2.0
240.51732	1.0
253.19414	1.2
327.91833	1.0
393.35123	1.7
411.36365	6.8
429.37192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3724
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05500	5.0
57.06817	1.2
57.07071	23.8
67.05486	7.8
69.07053	6.6
71.08614	14.5
78.49339	0.9
79.05513	1.1
81.07048	8.2
83.08599	1.3
85.10174	4.2
89.48560	1.0
91.05451	4.8
92.09048	1.5
93.07029	1.7
94.43275	1.0
95.08575	7.5
97.79272	1.0
99.09607	1.0
105.07015	4.3
107.08566	10.2
109.10143	6.1
119.08559	6.6
121.10129	6.0
122.07255	1.4
123.08068	1.6
131.08568	4.1
133.10127	1.4
135.07993	7.8
135.11650	3.6
137.09604	13.9
139.07561	2.4
145.10126	4.1
149.09604	18.2
151.07507	1.7
159.11664	5.7
163.11147	23.6
165.09082	100.0
173.09647	1.8
173.13388	1.1
175.11172	6.5
176.08359	4.3
177.09067	16.5
177.12769	1.5
179.10643	1.7
186.10216	1.2
187.11194	1.9
189.09171	1.6
189.12717	1.6
191.10591	13.3
201.12720	1.4
203.10501	1.1
205.12157	11.0
215.14415	1.4
219.13785	5.0
233.15485	1.5
401.33847	3.9
429.32141	2.4
429.37177	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88451	2.6
55.05504	51.2
57.03409	3.4
57.07072	24.8
67.05498	35.9
69.06715	4.8
69.07059	100.0
71.08617	7.7
74.07024	2.7
74.36416	3.0
79.05483	28.2
81.07041	77.3
82.08012	2.9
83.04967	4.5
83.08608	40.9
91.05423	5.3
92.08862	27.0
93.07023	54.7
95.08588	57.5
96.31307	3.3
97.06505	30.0
97.10139	37.8
107.08593	23.3
107.67865	3.0
109.10135	16.2
111.11696	7.8
117.36922	3.0
117.37879	2.9
121.10125	47.6
123.11657	4.5
135.11703	12.6
137.50830	3.3
139.11162	44.8
149.13249	5.5
157.12230	4.4
165.09109	5.5
165.14597	3.3
193.96191	3.5
219.21088	11.4
237.22151	23.8
255.23239	3.9
284.54163	3.5
375.32452	12.6
393.33548	48.8
411.34259	6.9
429.31711	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	429.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.6
55.01863	11.1
55.05508	19.3
57.03429	24.8
66.20589	2.0
67.05500	23.0
68.04409	2.2
69.03413	38.5
69.07054	5.7
69.24002	2.0
70.18204	2.1
71.01342	3.2
71.04982	13.1
72.11940	1.9
73.02893	3.6
73.06525	5.8
76.60128	2.2
79.05467	24.2
81.03397	100.0
81.07043	36.3
83.04961	24.8
83.08620	22.3
84.12206	2.4
85.02886	38.1
86.09684	11.4
91.05475	29.9
92.08763	4.0
92.09273	4.8
93.07022	25.0
94.46349	2.5
95.04949	28.0
95.08595	13.8
97.02872	49.1
97.06516	3.5
97.10133	4.1
97.55240	2.3
99.04439	5.6
105.03376	32.9
105.06997	25.8
107.04926	11.1
107.08579	15.0
109.02872	16.1
109.06506	9.8
109.10151	3.7
111.04396	4.9
111.08083	13.6
113.05974	2.8
117.03374	4.3
119.08568	24.4
120.08086	22.9
121.06584	2.3
121.08431	11.5
121.10133	13.5
123.04412	5.0
123.07994	2.5
127.03896	11.2
129.06963	9.8
131.08554	12.6
132.94017	2.3
133.06499	3.4
133.10101	11.1
145.02792	10.5
145.10127	4.0
147.04277	2.4
147.08090	4.0
147.11687	17.9
149.06004	5.1
149.09595	4.9
157.10104	15.5
158.28787	2.3
163.11110	3.5
165.12778	5.1
166.08615	3.9
171.07941	2.2
175.11168	12.1
177.05415	13.9
193.12202	49.1
211.13249	49.4
285.16937	14.2
310.14688	2.4
411.19968	3.7
429.21240	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	429.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99714	2.4
51.75634	2.2
53.03933	10.8
55.01867	5.6
55.05504	21.1
57.03436	20.8
58.04630	2.1
59.05960	2.0
61.02922	3.8
67.05498	32.6
69.03419	41.7
69.07050	11.6
71.01334	3.2
71.04981	12.7
71.65009	2.1
73.02904	5.7
73.06563	3.5
74.30362	1.9
79.05472	28.6
81.03405	94.0
81.07041	38.9
83.04971	21.1
83.08610	27.5
85.02884	44.3
85.06527	3.7
86.09682	11.9
86.90936	2.1
91.05470	32.7
93.07022	23.0
95.04953	34.4
95.08583	12.0
97.02867	65.6
97.06513	13.4
97.10152	5.0
99.04448	16.3
100.24417	2.8
101.02378	2.6
105.03368	34.9
105.07010	30.2
106.03737	3.3
107.04942	14.0
107.08592	14.2
109.02829	17.4
109.06493	9.0
111.04449	8.7
111.08077	12.0
117.03363	5.1
119.04899	2.8
119.08570	22.6
120.08087	24.0
121.06486	3.4
121.08401	9.6
121.10147	11.3
123.04438	3.2
123.08050	3.9
123.11700	3.1
125.09589	3.5
127.03895	14.8
129.05496	3.3
129.07008	16.6
131.08531	16.4
133.06461	5.6
133.10132	15.3
135.08054	2.8
137.05898	2.4
137.09552	2.6
141.65961	2.5
143.08546	2.6
145.02866	17.2
145.10164	5.2
147.08000	3.6
147.11688	23.7
149.09621	5.9
157.10098	25.6
159.11676	3.0
175.11188	17.5
177.05382	25.3
193.12230	50.8
204.15450	2.3
211.13251	62.1
212.01472	2.5
249.07748	2.7
249.14705	9.7
267.08572	3.5
267.15881	3.9
285.16904	14.2
335.72415	3.0
411.20081	4.3
429.21204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41645	0.3
51.12346	0.3
53.00303	2.9
53.03934	0.6
54.05014	0.3
54.80795	0.3
55.01867	10.0
55.05495	0.4
57.02224	0.3
57.03421	0.9
59.77722	0.3
60.51230	0.3
61.02906	1.4
66.68975	0.3
67.05485	0.7
69.03413	2.6
70.06568	2.3
71.01330	0.8
71.07310	0.4
73.02890	5.3
78.72610	0.3
79.05479	1.7
79.46372	0.4
81.03405	2.3
81.07050	0.7
83.01319	0.6
83.04982	0.5
85.02898	3.8
86.09688	2.3
91.03918	0.5
91.05470	0.9
92.62686	0.3
93.07024	0.9
95.04946	2.6
97.02878	2.5
99.00796	21.0
99.04433	0.7
101.02355	5.9
105.03360	6.6
105.07024	0.7
107.04921	2.6
107.08564	0.5
109.02907	1.5
115.03922	0.6
117.01853	2.5
119.03426	0.7
119.04919	1.9
119.08573	0.6
123.04412	0.6
124.99962	0.9
127.03916	0.5
129.07013	0.5
131.04953	0.7
132.58080	0.4
135.06316	0.4
135.07993	0.5
137.09608	0.5
147.04391	2.6
171.02913	1.5
177.05385	0.5
184.07327	2.9
189.03960	1.5
203.70580	0.4
217.03413	10.3
219.08049	0.7
223.07507	2.8
223.92175	0.4
225.09077	0.5
237.08986	2.6
240.10434	0.4
247.07527	1.9
249.07591	0.7
251.12862	0.4
265.08704	1.9
267.10767	1.2
293.08221	0.7
328.86627	0.4
411.32874	0.4
429.20868	100.0
430.21344	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
57.03440	0.4
58.86855	0.3
67.05477	0.3
68.09068	0.3
69.03413	0.9
70.06564	0.4
75.04478	0.4
77.60748	0.3
79.13216	0.4
80.30442	0.3
81.07025	0.4
82.26924	0.4
83.04929	0.5
85.02886	2.2
87.04449	0.4
91.89162	0.3
92.08813	0.6
97.02890	0.6
98.97546	0.8
107.53987	0.4
111.04407	0.5
116.98614	0.4
119.04985	0.4
121.02819	0.8
137.05948	2.9
138.06294	0.7
147.04379	0.7
154.08607	0.7
161.05931	0.4
203.05267	1.5
213.00645	0.5
237.02946	0.4
243.01625	0.4
371.16888	1.4
411.19748	2.1
429.20868	100.0
430.21255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95428	0.4
55.01859	0.3
55.05480	0.5
55.57229	0.3
57.03423	1.7
57.07065	8.2
61.02916	0.8
67.05482	0.3
69.03412	8.1
69.07053	1.7
70.06573	1.0
71.04969	1.7
73.02884	0.5
81.03411	2.8
83.04963	2.6
85.02892	9.9
85.06521	4.6
86.03223	0.5
86.06873	0.7
87.04448	0.6
91.03941	0.4
91.25645	0.4
92.08757	0.9
92.09344	0.8
97.02872	2.7
99.04401	1.3
103.07555	0.5
105.03371	0.5
105.07018	0.5
109.02875	1.9
111.04430	2.3
121.71639	0.4
127.03883	2.5
129.05466	3.0
131.07028	0.4
145.04913	0.6
147.06522	0.9
163.03690	0.4
163.06021	0.4
165.07558	0.6
177.05499	0.5
183.07144	0.4
183.08617	2.2
189.07048	0.5
206.79080	0.4
247.11728	2.4
308.25616	0.5
332.87878	0.4
429.20877	100.0
430.21292	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.5
55.01858	5.3
55.05503	7.4
57.03430	16.4
57.07067	100.0
59.05002	1.0
61.02911	10.1
65.03917	0.9
67.05506	3.0
69.03414	87.5
70.06569	3.4
71.04971	8.7
72.08169	0.9
73.02892	3.9
75.00833	0.7
75.04449	1.5
79.05424	1.3
81.03397	24.2
81.07043	1.2
83.04964	23.6
84.08109	1.2
85.02887	50.6
85.06529	28.4
86.06870	1.5
86.09685	1.1
87.04430	6.8
91.03950	2.9
91.05483	1.1
91.98260	0.8
92.09018	2.0
95.04939	0.9
97.02872	11.0
97.17212	0.7
97.17830	0.9
99.04441	13.1
102.93922	0.8
103.03938	3.7
103.07552	13.8
105.03378	4.7
107.04935	1.6
109.02869	13.0
111.04431	19.2
116.07088	1.2
117.05492	0.9
119.04927	5.4
125.05978	1.4
127.03893	17.9
129.05463	22.0
137.05905	0.9
143.07018	1.5
145.04955	4.9
145.08560	1.9
147.06496	12.5
165.07552	14.3
167.07053	1.5
183.08611	29.3
183.10139	1.5
199.28777	0.8
223.28055	0.9
229.10712	9.9
247.11731	23.2
282.48508	1.0
393.17386	1.8
399.19781	1.5
429.21097	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	429.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.7
55.01852	6.9
55.05510	9.5
55.32254	1.0
57.03429	17.5
57.07066	100.0
61.02914	11.5
67.05476	1.3
69.03413	95.3
69.07054	1.8
70.06563	1.7
71.04956	5.1
72.21764	1.3
73.02870	2.7
73.73426	1.1
79.05462	2.1
80.38571	1.1
81.03401	29.3
83.04964	25.6
85.02886	58.9
85.06523	14.3
87.04435	6.9
91.03938	5.2
92.09159	6.7
95.04980	1.8
97.02878	16.5
99.04433	13.2
103.03905	5.1
103.07547	12.2
105.03368	30.6
105.06979	1.3
109.02851	15.7
111.04433	19.9
123.04353	2.2
127.03895	18.8
129.05452	26.0
144.65260	1.3
145.04948	5.7
147.04378	1.6
147.06494	13.1
165.07536	11.9
175.08687	1.9
183.08598	34.0
207.17465	1.3
229.10556	9.9
247.11716	24.5
261.19250	1.2
393.17938	1.6
428.19858	1.5
429.20886	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.0
55.01845	0.5
55.05507	0.7
57.03424	2.8
58.64305	0.4
59.06102	2.1
59.73074	0.4
61.02917	3.8
67.05471	0.6
69.03410	12.2
71.04973	26.3
73.02883	1.8
79.05470	1.0
81.03392	12.8
81.77955	0.5
83.01338	0.8
83.04949	2.3
85.02887	23.8
87.04469	0.5
88.19090	0.4
89.03912	0.9
89.06007	100.0
91.03938	1.0
91.05447	0.9
92.08807	1.5
92.09313	0.6
93.06995	0.6
95.04946	0.6
97.02864	53.0
97.06501	0.5
98.67603	0.5
99.00800	0.5
99.04429	7.1
101.02388	0.6
105.03384	3.7
105.06985	0.7
107.04892	0.5
109.02856	16.0
111.04411	1.1
115.03886	0.7
116.04948	3.4
117.03362	3.3
123.04417	0.8
127.03880	18.7
131.04871	0.7
135.06499	10.8
145.02844	6.4
145.04921	18.9
147.04439	0.9
148.04736	0.6
158.05939	0.5
163.03954	0.5
163.05991	0.8
177.05446	9.1
193.43625	0.5
197.08093	0.9
199.06068	0.6
215.09128	2.0
243.08681	2.8
249.14629	0.7
261.09631	13.4
267.15714	1.1
279.10788	2.1
345.32855	0.6
429.20911	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	429.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01865	0.4
55.05506	0.3
57.03433	0.6
59.06116	0.6
63.46684	0.3
63.90572	0.3
69.03413	3.3
71.04968	0.6
73.06520	0.4
77.44301	0.3
78.17427	0.3
79.05458	0.6
81.03397	3.5
81.07040	0.5
83.04951	0.4
85.02894	3.2
85.06522	2.8
86.09716	0.6
89.03896	8.9
89.06024	0.5
91.05463	1.2
92.08858	1.5
93.07046	0.6
95.04982	0.6
95.08606	0.6
97.02867	1.9
103.05448	1.6
105.03369	6.7
105.07005	0.6
107.08607	0.4
109.02868	1.4
109.10161	0.5
117.03362	31.7
117.60551	0.3
119.08571	0.6
123.04398	0.5
127.03927	0.5
131.04919	4.6
131.08492	0.3
133.10112	0.8
134.03609	2.2
135.04381	2.5
145.02832	79.4
147.08011	0.4
149.05960	12.7
163.03871	0.5
177.05435	100.0
186.05531	0.4
195.06422	0.6
231.13680	0.6
249.07642	0.4
267.08578	0.4
267.18970	0.4
321.09518	0.6
339.10687	5.7
406.61584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25251	0.4
53.03949	3.8
55.05494	2.4
57.03416	2.8
57.07048	0.5
59.04991	26.9
61.02918	0.6
67.05483	2.5
69.03417	11.2
69.07030	0.9
71.04979	1.2
73.02911	0.8
73.88071	0.5
78.94903	0.5
79.05474	12.4
81.03403	8.8
81.07039	6.2
83.04958	2.1
85.02894	19.1
85.06528	21.2
87.04442	2.3
91.05468	0.8
92.08944	0.9
93.07012	2.3
95.04944	6.5
95.08572	0.6
97.02862	6.7
101.06003	18.5
103.03902	2.7
105.03374	100.0
105.07016	1.1
107.08559	0.7
109.02857	4.3
109.06529	3.8
109.10150	2.6
115.03931	1.8
121.10145	0.9
123.04401	16.5
127.03904	5.9
127.07518	16.6
127.11140	1.0
133.04988	0.8
133.10188	0.6
144.86893	0.5
145.04982	1.1
145.08580	16.7
163.03903	0.6
163.09639	7.8
165.05513	0.5
235.69809	0.7
249.07455	3.3
267.08609	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	429.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46599	0.2
52.60285	0.2
53.03939	2.3
55.01855	1.5
55.05491	0.6
57.03423	2.7
57.07065	2.4
59.58740	0.3
61.02909	4.8
67.05491	0.3
69.03415	16.9
69.07037	0.5
70.06567	2.3
70.87200	0.2
71.04962	1.7
73.02892	1.2
79.05467	1.6
81.03401	4.3
83.04960	1.7
85.02889	17.9
85.06519	2.1
86.09682	1.2
87.04447	1.1
91.03935	0.6
91.05469	0.4
92.08976	0.3
95.04940	5.0
97.02867	7.1
98.97559	0.4
99.04414	1.8
105.03371	100.0
106.03754	0.4
109.02870	3.1
111.04431	1.0
116.07080	0.4
116.36155	0.3
119.04850	0.4
119.08551	0.2
123.04413	1.8
127.03885	7.1
129.05409	0.6
133.10114	0.3
145.04935	2.5
147.04401	0.6
147.06505	0.3
183.08685	1.1
189.05473	1.4
195.00868	0.3
215.13962	0.4
247.11682	0.6
249.07584	1.1
267.08548	10.0
277.71790	0.3
311.42978	0.3
323.81720	0.3
429.20886	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.3
53.03946	3.8
55.01862	0.5
55.05499	0.5
57.03433	2.0
61.02901	0.6
67.05483	1.4
69.03063	0.5
69.03413	8.7
69.07050	1.1
71.04970	1.4
73.02902	0.4
78.36701	0.3
79.05473	7.4
81.03404	12.4
81.07031	1.1
83.04966	0.5
85.02888	13.3
86.09675	0.3
91.05456	0.7
92.08731	0.4
92.09277	0.6
93.07016	0.6
95.04400	0.5
95.04952	7.3
95.08604	0.4
97.02866	5.7
99.04455	2.1
105.03374	100.0
105.06995	0.7
106.03716	0.6
107.08582	0.5
109.02866	6.6
109.06503	0.5
109.10149	2.8
114.98920	0.3
119.04934	0.3
119.08590	0.6
121.10120	0.3
123.04404	10.3
127.03879	5.7
127.11157	0.7
131.04936	0.3
133.10127	0.5
143.08479	0.3
145.04987	0.6
145.10139	0.3
145.12181	0.4
147.04381	0.5
163.03850	0.3
165.05481	0.3
223.22018	0.3
249.07523	9.8
267.08575	9.2
297.81784	0.3
342.49246	0.3
421.72168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
53.03939	4.7
54.81776	0.2
55.01857	0.5
55.05496	0.5
57.02449	0.2
57.03415	1.3
61.02902	0.9
67.05486	1.3
69.03413	8.4
69.07053	0.5
71.04971	1.0
73.02894	0.3
77.03915	0.4
79.05053	0.4
79.05479	7.2
80.83176	0.2
81.03399	13.0
81.07033	1.4
83.08615	0.3
85.02888	13.7
85.06552	0.4
86.09693	0.4
91.05454	0.9
92.09225	0.2
93.07015	1.0
95.04945	7.1
95.08590	0.4
97.02866	7.2
97.06528	0.3
99.04431	1.5
105.03373	100.0
105.07003	1.3
106.03719	0.9
107.08554	0.9
109.02858	6.0
109.10124	2.0
115.31577	0.2
119.04921	0.3
119.08553	0.3
119.17816	0.2
121.10106	0.3
123.04404	10.7
127.03896	4.8
127.11191	0.4
145.04950	1.3
145.10110	0.3
147.04437	0.3
152.75090	0.3
160.34903	0.2
163.03908	0.2
168.08286	0.2
212.03754	0.2
213.12424	0.3
214.07892	0.2
231.06502	0.4
249.07532	8.5
267.08578	8.5
275.79648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.3
53.00286	0.3
53.03935	4.9
54.54219	0.3
55.01857	1.6
55.05490	0.7
57.03419	2.1
61.02891	1.3
66.05503	0.2
67.05473	0.6
69.03416	9.0
69.07049	1.7
70.06576	1.2
71.04967	1.4
73.02898	1.2
73.97527	0.4
77.03913	0.6
79.05479	7.1
81.03399	15.7
81.07038	0.8
83.04977	0.5
83.08592	0.5
85.02890	11.9
85.06528	0.6
91.05474	0.5
92.08744	0.7
92.09298	0.4
93.07008	0.6
95.04947	10.2
97.02869	9.3
98.13299	0.3
98.97561	0.4
99.00803	0.6
99.04440	1.7
105.03373	100.0
106.03669	0.4
106.06523	0.4
107.04909	0.5
107.08557	0.7
109.02859	7.9
109.06495	0.4
109.10143	0.4
117.05463	0.3
117.06957	0.3
119.04955	0.7
119.08562	0.3
123.04404	10.0
124.03924	0.4
125.05959	0.3
127.03902	5.4
133.10048	0.4
134.06012	0.8
135.04370	0.4
145.04965	1.6
145.10132	0.4
147.04425	1.6
153.05484	0.6
161.09737	0.3
162.05484	0.3
163.03870	0.5
163.11223	0.4
165.05423	0.5
173.13295	0.4
177.05405	0.4
178.37575	0.3
231.06635	0.4
249.07503	14.5
249.14705	0.5
266.10275	1.6
267.08475	6.0
273.26886	0.3
381.18781	4.2
399.19681	0.4
411.19928	0.5
429.20932	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	429.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.9
55.05511	0.9
57.03420	4.7
59.04980	1.0
61.02904	3.1
67.05502	0.8
69.03425	5.6
69.07057	11.1
70.06570	1.0
71.04975	1.3
71.65760	0.7
73.02890	1.5
75.04468	0.7
76.51659	0.7
79.05431	1.0
81.03394	2.8
81.07077	0.9
83.04965	5.9
84.08106	1.3
85.02894	18.2
86.09692	1.0
87.08083	3.3
92.08887	0.9
95.04932	1.1
97.02859	5.7
97.06505	4.5
97.80779	0.9
98.97575	1.3
99.04430	0.8
99.08085	1.3
101.05933	0.8
105.09129	1.7
107.04918	1.8
109.02882	3.9
111.04442	7.0
119.04929	3.2
125.05933	3.1
127.03906	3.7
129.05482	1.2
143.07034	4.2
144.07388	1.3
145.04944	3.7
149.06021	2.9
159.18518	0.7
167.07028	4.1
168.07396	1.2
172.90181	0.7
185.08087	1.7
199.09779	1.3
217.10747	4.5
237.02806	0.9
249.13295	1.6
340.78607	0.7
411.12524	3.0
429.13617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
54.82040	4.1
55.01845	5.3
57.03422	19.5
61.02900	5.1
63.77092	3.6
69.03417	42.6
70.06579	9.7
73.02880	5.4
81.03371	7.9
84.04485	5.0
85.02897	100.0
86.06042	22.0
86.09703	5.7
87.04414	4.7
92.09336	3.9
97.02875	31.2
101.00900	6.7
109.02853	5.0
111.04405	5.3
118.39892	4.9
119.01895	35.8
127.03909	26.5
130.08606	7.0
133.03415	6.5
133.06123	5.0
143.01929	5.3
145.03435	4.5
145.04916	6.7
146.04968	4.9
155.01833	5.2
157.03484	30.4
161.02972	16.9
171.05167	5.2
175.04527	9.4
185.02962	15.8
203.03731	5.4
205.06856	22.2
221.05139	10.7
223.06616	44.2
225.06514	5.3
231.07106	5.4
241.07613	17.0
245.04979	24.8
245.11407	5.1
246.05022	6.5
247.04254	3.9
265.07605	28.9
291.05646	6.3
313.35614	4.6
351.07623	14.8
369.10385	7.1
429.11380	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34586	1.9
53.03929	2.5
55.01849	4.2
55.05500	3.6
57.03427	16.9
59.04980	2.6
59.55301	1.7
61.02913	11.8
67.05479	3.9
69.03419	23.5
69.07062	16.3
70.63166	1.8
71.04978	8.0
73.02901	4.1
75.04443	3.0
76.25867	1.9
79.05465	4.6
81.03408	9.9
81.07037	3.3
82.38294	1.8
83.04964	21.3
85.02888	100.0
85.06506	3.4
91.03917	3.9
91.05473	4.3
92.08913	9.5
93.03384	2.8
93.07037	8.9
95.04952	8.2
97.02888	24.0
97.06501	11.3
99.04463	4.7
101.06025	7.7
105.03406	8.6
105.07019	2.6
107.08554	2.3
109.02879	13.6
109.10149	2.9
111.04427	22.6
115.03966	2.3
119.04913	37.1
121.06493	10.1
123.04462	3.2
125.05941	23.4
127.03872	21.7
127.11153	3.3
129.05457	2.6
129.10510	2.1
135.08064	2.6
137.05948	8.5
143.07010	16.8
145.04919	22.6
149.05957	18.4
155.07068	2.2
159.06517	7.2
163.05997	9.2
167.07010	24.4
185.08148	17.1
199.09592	22.1
217.10683	23.6
249.13268	10.0
274.94791	2.2
326.01279	2.1
428.15155	3.0
429.20789	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	428.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.3
56.96559	0.2
57.03425	1.4
61.02913	0.7
61.75253	0.2
64.33707	0.3
69.03409	2.5
69.07051	3.2
70.06554	0.6
71.01329	0.5
71.04977	0.5
73.02892	1.2
74.06055	0.7
78.70282	0.2
79.47691	0.3
81.03387	1.2
81.07015	0.3
83.04961	0.4
84.04485	0.4
84.08123	1.6
85.02887	5.5
86.06053	1.9
86.09687	100.0
87.04459	0.4
87.10021	0.5
87.19304	0.3
92.08952	0.5
97.02863	2.3
98.97548	1.1
99.04425	2.4
99.08015	0.5
104.07063	1.2
105.03460	0.3
107.22580	0.3
109.02860	0.6
110.07140	1.8
116.98637	0.6
117.05482	1.9
117.09029	0.4
120.06598	0.3
122.07091	0.4
127.03893	1.4
130.08636	1.1
132.10176	40.7
133.10532	0.5
135.04768	0.4
136.06149	2.7
145.04955	1.4
149.05910	0.3
152.05692	0.3
163.04063	0.3
173.01149	0.3
178.04924	0.5
219.01794	0.5
237.02809	0.4
245.05045	0.3
262.74121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.2
55.01856	5.3
55.05499	6.4
57.03170	2.2
57.03425	35.2
59.04984	10.5
61.02917	9.3
65.03928	2.9
67.05497	12.9
67.32028	1.1
69.03062	2.1
69.03410	33.3
71.04973	5.5
73.02877	5.0
75.04457	13.0
79.05469	12.4
81.03388	8.9
83.04963	49.6
85.02890	100.0
87.04445	2.4
90.65762	1.3
91.03933	2.0
91.05459	15.5
92.08842	5.9
93.03374	11.2
93.07022	11.8
95.04945	12.3
97.02872	22.4
97.06503	35.5
99.04436	8.7
101.06004	12.8
103.03901	2.6
107.04928	2.1
109.02865	13.2
109.06470	1.7
111.04419	74.7
119.04913	74.2
121.02821	6.1
121.06500	16.3
123.04382	5.8
125.05968	57.4
127.03883	18.3
129.05450	19.2
135.08067	1.5
137.05965	15.6
143.07019	48.0
145.04903	14.9
149.05952	41.8
159.06493	21.0
163.06068	1.9
163.07494	6.5
167.06995	64.2
167.08414	2.3
185.08046	35.7
199.09621	48.5
217.10680	63.5
249.13313	24.7
429.20340	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21390	0.1
53.03933	2.2
54.81406	0.1
54.81656	0.2
55.01864	0.6
55.05497	2.0
55.13833	0.1
57.03424	0.2
59.04975	0.2
61.02916	0.2
62.88982	0.1
65.03921	0.2
67.05487	2.7
68.99775	1.9
69.03411	3.2
69.07049	0.3
71.04962	0.2
77.03905	0.3
79.05473	2.9
81.03397	2.7
81.07016	1.0
83.04961	5.4
83.08622	0.2
85.02889	2.8
85.06522	0.2
91.05435	0.2
93.07022	0.6
95.04943	5.7
95.08585	0.3
96.62651	0.2
97.02870	0.9
97.06475	0.2
105.03368	100.0
106.03670	0.2
107.08559	0.2
109.02868	1.7
109.06532	0.2
109.10143	2.9
111.04421	7.4
119.08608	0.2
121.10130	0.3
123.04401	4.3
127.03881	1.2
127.11232	0.2
131.08511	0.2
132.40239	0.2
135.08003	0.2
145.10143	0.3
159.11684	0.2
162.05452	2.3
168.76700	0.2
169.10239	0.2
204.87827	0.2
233.08032	26.5
249.07501	2.8
267.08557	4.0
346.47687	0.2
428.13528	0.2
452.76929	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90988	2.3
54.81763	2.7
55.05507	55.1
57.07067	22.7
57.07314	2.6
60.58113	1.8
67.05489	43.1
69.07055	58.8
71.04972	4.0
71.08595	10.5
74.71057	1.9
78.94461	2.1
79.05483	5.4
79.65912	1.9
81.07038	71.4
83.08603	67.9
85.06517	3.2
93.07026	12.0
95.08585	100.0
97.10149	41.8
102.08750	2.4
107.08569	12.6
109.10152	53.2
111.11702	13.8
121.10164	5.0
123.11658	19.3
125.13262	2.9
135.11656	12.4
137.13235	9.4
151.14828	4.3
191.17952	2.6
274.91925	2.3
373.38345	14.1
391.39243	14.2
450.46320	2.7
454.07904	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	427.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64917	2.6
55.05504	70.0
57.07075	28.2
66.75236	3.3
67.05494	51.7
69.07053	86.9
71.04961	4.8
71.08602	18.6
71.66055	3.6
79.05473	16.6
81.07043	96.2
82.34963	3.7
83.08598	64.0
85.10159	5.4
93.07008	21.1
95.08575	100.0
97.10139	39.4
107.08590	18.8
109.10144	49.0
111.11724	17.9
121.10146	8.3
123.11702	19.7
135.11684	17.8
137.13239	13.2
146.81212	3.5
146.82471	3.9
149.13263	5.9
196.14192	4.2
254.99232	3.7
373.38391	16.5
391.39191	22.9
412.78735	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	427.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71821	1.6
54.15072	1.2
55.05505	52.8
57.07061	19.1
67.05151	2.1
67.05496	48.5
69.07056	71.7
71.04967	7.0
71.08605	8.8
79.05453	14.8
80.81855	1.6
81.07043	83.7
83.08117	2.9
83.08607	65.0
85.06467	1.9
85.10173	3.5
91.05433	7.5
92.08525	1.9
92.08997	14.6
93.07016	19.9
95.08585	100.0
97.10147	47.0
105.07004	10.2
107.08583	21.1
109.06528	1.8
109.10140	65.6
111.11692	10.7
119.08569	9.0
121.10140	18.4
123.11679	19.7
125.13219	3.1
131.08614	2.2
133.10109	8.9
135.11673	16.8
137.13242	8.6
145.10078	6.2
147.11668	3.2
149.13248	8.4
151.14822	3.3
159.11673	2.1
161.13185	2.6
163.14793	2.2
166.07294	1.6
175.14740	2.4
177.16408	2.0
179.17894	1.8
191.18004	3.4
205.15808	2.0
210.54120	1.7
223.17004	1.9
373.38373	14.9
391.34641	2.2
391.39240	18.3
392.35971	1.8
409.34680	2.6
427.35608	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	427.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	13.6
57.07061	9.9
59.18936	1.7
61.14775	2.0
64.27106	1.9
67.05492	28.6
69.03399	2.7
69.07047	29.4
71.04993	2.2
79.05472	29.6
81.07033	52.6
83.04928	2.2
83.08607	11.4
86.09686	65.9
91.05455	24.8
92.09195	2.9
93.07018	58.8
94.66277	2.0
95.04979	3.3
95.08574	100.0
101.18211	2.1
105.07011	55.9
107.08571	88.1
108.01464	1.9
109.06500	3.6
109.10142	59.2
117.07018	10.1
117.98627	2.0
118.52693	2.1
119.08550	64.7
121.10117	60.4
123.08051	3.0
123.11678	15.8
131.08546	19.7
133.10104	46.8
135.11650	33.3
137.13239	2.8
143.08537	3.0
145.10110	30.1
147.11659	33.3
149.09605	2.6
149.13251	17.1
153.86308	2.3
157.10078	5.3
159.11670	29.8
161.13210	36.6
163.11098	9.2
163.14792	14.3
165.12682	2.3
167.02473	2.2
167.70050	1.9
171.11708	4.3
173.13199	10.4
175.14771	31.5
177.16313	17.3
181.58380	2.0
183.11763	2.6
185.13174	3.2
186.14911	24.2
187.14783	23.8
189.16383	10.9
191.17911	17.8
199.14705	2.3
201.14714	2.2
201.16420	11.5
203.17926	76.6
205.15831	24.8
206.30945	2.2
214.14389	4.2
215.17917	3.4
219.17369	3.4
223.16920	12.6
223.73611	2.3
241.19579	3.3
313.25079	2.9
314.19528	5.0
391.33389	3.9
409.34598	14.7
427.28223	2.1
427.36078	18.1
427.41010	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	427.3567
Annotation	HMDB12167
Peak:m/z	Relative Intensity
51.27634	5.6
55.01863	5.6
55.05505	9.8
67.05491	14.1
69.07052	14.6
72.06562	5.9
79.05441	8.0
81.07028	29.1
87.43635	5.3
87.60867	5.4
91.05473	9.8
92.08996	65.3
93.07026	29.3
95.08582	37.4
99.84064	5.5
105.07017	13.0
107.08572	38.8
109.10143	24.1
119.08560	25.6
121.10134	22.9
131.08546	11.1
133.10149	11.1
135.11670	32.3
140.82149	5.3
145.10173	9.1
147.11684	13.3
149.13255	10.3
159.11629	11.3
161.13210	14.6
163.14751	7.1
178.51624	6.2
187.14801	12.0
189.16350	23.2
190.22954	6.5
201.16385	6.7
205.15889	35.5
207.17412	24.9
409.34354	9.6
427.35480	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	427.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55430	4.0
55.05511	33.5
57.07064	7.0
65.03937	4.1
67.05502	38.6
69.07049	38.1
69.07352	4.4
75.92110	4.3
79.05460	21.3
81.07034	69.5
83.08589	22.8
91.05444	19.4
92.08910	15.8
93.07019	42.5
95.08576	100.0
95.29408	4.2
97.10129	7.8
105.07007	42.4
107.08577	59.0
109.10120	63.3
119.08564	47.0
121.10105	62.0
123.11649	22.9
126.58221	4.1
131.08530	17.2
133.10100	46.7
135.08086	5.6
135.11710	31.3
137.13168	5.8
143.08540	5.3
145.10109	26.8
147.11629	28.3
149.13239	22.2
157.10065	9.3
159.11627	27.9
161.13223	21.3
163.14751	6.9
165.09196	6.2
171.11780	5.5
173.13235	9.9
175.14781	10.1
177.16371	9.4
185.13339	7.5
187.14746	18.5
189.16353	5.5
201.16281	6.7
203.17921	19.7
205.15826	8.2
223.16942	20.5
391.39438	8.2
409.34409	20.3
427.35818	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3566
Annotation	HMDB12167
Peak:m/z	Relative Intensity
54.82236	0.7
55.05494	4.2
57.07064	1.2
65.03934	0.6
67.05487	6.9
69.06697	0.7
69.07035	6.2
79.05465	5.2
81.07035	18.1
83.08608	5.8
85.06512	1.2
91.05441	6.4
92.09067	1.4
93.07021	16.0
95.04944	1.8
95.08583	31.7
97.10137	1.1
101.38900	0.7
103.91059	0.8
105.07008	14.8
107.08569	26.7
109.06474	1.8
109.10129	17.8
111.08060	1.3
119.08554	23.6
121.10120	21.6
123.08056	3.6
123.11679	5.3
131.08511	9.7
133.10091	17.9
135.08063	1.1
135.11652	20.4
137.09589	1.4
137.13211	1.3
143.08571	1.6
145.10114	13.4
147.11649	20.2
149.13235	11.7
151.11195	0.9
157.10097	3.3
159.11681	9.6
161.13237	8.4
163.14786	12.4
165.12701	1.1
171.11703	3.2
173.13225	3.3
175.14835	4.9
177.16354	8.7
185.13219	3.3
187.14766	16.8
189.16333	21.9
191.14214	0.8
191.17857	1.7
197.13142	1.0
199.14780	1.3
201.16324	7.8
203.17972	1.0
205.15843	41.4
207.17393	20.5
213.16354	3.2
215.17909	7.0
217.19435	1.5
219.17419	3.5
222.08649	0.8
229.19498	1.9
234.28941	0.8
241.19472	1.5
255.21013	4.4
269.22571	3.9
291.23154	1.0
331.26361	1.6
370.09595	1.0
391.33377	1.0
409.34680	6.3
427.35629	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	427.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.4
57.07062	13.2
57.68967	2.0
67.05483	10.3
67.65935	2.0
69.07044	12.8
71.08607	3.5
79.05486	5.0
79.64897	2.3
81.07043	30.1
83.08611	5.6
85.78829	2.0
89.05972	3.1
91.05472	4.8
92.09055	11.7
93.07023	29.4
95.08579	40.7
105.07005	18.6
107.08561	39.2
109.06451	2.4
109.10126	24.7
111.85740	2.2
119.08564	26.6
121.10108	26.5
123.08051	3.5
123.11694	4.0
131.08539	13.1
133.10120	23.9
135.08018	4.2
135.11662	31.2
145.10104	15.0
147.11690	28.0
149.13272	13.4
157.10088	2.4
159.11676	12.6
161.13251	5.5
163.14804	11.0
169.41728	2.3
175.14771	4.2
177.16385	5.6
183.11644	3.2
187.14815	13.7
189.16351	29.4
191.17984	3.8
201.16417	3.3
203.17941	3.4
205.15851	46.0
207.17447	20.3
213.16386	2.7
215.17867	4.1
229.19604	3.5
255.21155	2.7
324.32559	32.2
401.90543	2.3
409.34665	4.0
427.35608	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	427.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84071	1.6
53.03930	1.6
55.05500	15.3
57.07047	2.1
67.05186	1.9
67.05492	29.8
69.07047	25.1
79.05473	24.0
81.06596	3.2
81.07037	58.5
83.04963	3.0
83.08598	14.2
85.06498	2.7
89.68809	1.4
91.05453	22.1
92.09212	9.4
93.07023	48.0
95.04951	2.2
95.08578	100.0
97.06516	2.0
97.10123	3.2
99.08086	1.8
105.07008	62.6
107.07864	3.4
107.08578	82.8
109.06506	2.9
109.10138	70.0
111.08072	2.9
117.06982	7.2
119.08558	71.5
121.10108	66.0
123.08051	3.2
123.11684	17.3
123.79456	1.6
125.09595	2.1
131.08546	14.5
133.10109	52.0
135.08029	6.4
135.11639	27.2
137.13235	3.9
143.08511	9.4
144.09325	2.0
145.10101	26.7
147.11656	39.8
149.09555	4.1
149.13229	21.1
157.10118	7.1
159.11679	25.2
161.13208	38.3
163.11177	4.0
163.14772	15.3
170.10883	2.1
171.11653	3.6
173.13199	18.0
175.14780	43.4
177.16322	20.4
185.13210	3.7
187.14749	19.2
189.16322	18.4
191.14310	3.4
191.17917	9.7
199.14737	6.4
201.16376	12.6
203.14397	1.9
203.17912	40.6
205.15845	16.9
207.17529	2.8
213.16391	4.1
215.17934	6.5
217.15909	3.1
219.17387	3.0
223.16901	8.7
231.21106	3.5
249.18434	1.9
255.20711	1.9
257.22571	2.7
295.24084	7.2
313.25082	7.7
331.26163	6.7
391.33377	3.1
409.34393	10.3
409.55447	1.7
427.29886	2.2
427.35666	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3565
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
55.05512	10.0
55.59309	4.8
56.31586	5.5
57.07063	31.7
62.41124	4.2
62.64761	4.5
67.05486	11.9
69.07062	26.9
71.08615	24.9
71.28109	4.6
79.05484	9.2
80.41891	5.2
81.07023	33.7
83.08623	13.1
85.10172	9.6
91.05435	9.8
92.08962	26.1
93.07028	9.5
95.08586	26.8
105.06973	18.2
107.08572	20.7
109.10143	10.4
119.08555	22.5
121.10115	19.4
129.07031	9.0
131.08531	10.2
133.10114	22.3
142.07730	12.2
143.08569	11.9
145.10098	24.2
147.11620	6.5
155.08549	11.2
157.10071	74.8
159.11671	10.7
171.11682	10.4
173.13275	7.4
175.11148	12.3
185.13182	10.6
209.13237	7.7
213.16396	5.7
235.14850	8.6
243.63132	6.4
250.17209	5.8
251.17859	11.3
256.40573	6.6
263.17871	37.5
269.18787	7.7
376.30646	6.4
391.33533	33.2
409.34543	100.0
427.35455	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	427.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26527	1.6
51.81835	1.7
52.10563	1.6
55.05503	16.5
57.07063	2.7
62.63070	1.7
67.05486	34.2
69.07056	25.8
71.55127	1.9
79.05473	31.8
79.14798	1.9
81.07037	42.2
83.08591	9.8
86.09682	13.4
91.05462	20.7
92.08694	9.8
92.09349	10.1
93.07019	43.4
95.08584	98.0
95.20741	1.7
97.10148	3.8
98.16596	1.8
105.07009	59.4
107.08578	100.0
109.06444	3.8
109.10146	66.5
111.08030	2.1
117.06990	4.6
119.08557	61.9
121.10106	58.8
123.08001	3.8
123.11690	17.6
131.08527	15.7
132.04378	1.9
133.10097	52.7
135.11676	31.4
137.13226	2.1
143.08487	3.0
145.10091	32.7
147.11646	40.8
149.09625	2.5
149.13240	17.6
149.20607	2.0
157.10149	3.5
159.11647	25.0
161.13225	36.5
163.11169	8.4
163.14728	19.7
169.10071	3.2
171.11612	3.8
173.13225	12.7
175.14786	31.7
177.12790	2.7
177.16319	25.1
184.93141	2.2
185.13182	2.5
186.14835	3.6
187.14809	21.3
189.16328	13.0
191.17906	15.9
199.14789	4.3
201.16333	7.6
203.17914	70.7
203.19702	3.5
205.15839	23.4
215.17937	7.3
219.17398	3.7
223.16904	17.2
227.17886	3.1
229.19414	2.9
313.25061	7.4
331.26563	2.9
391.33228	3.0
409.34436	18.3
427.35837	15.2
451.72351	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	427.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01384	1.0
55.05505	15.8
57.07062	9.6
62.55410	0.9
67.05488	6.0
69.07056	17.2
71.08598	2.6
74.97662	1.1
75.03806	1.1
79.05457	1.6
81.07056	14.4
82.79612	1.1
83.08609	14.1
91.05457	1.6
92.08632	3.1
92.09264	7.0
93.07027	5.5
95.08587	10.7
97.10138	4.9
105.06985	2.1
107.08607	8.6
109.10157	8.9
115.28363	1.1
119.08557	4.6
119.60889	1.2
121.06470	1.0
121.10123	2.8
122.07252	1.0
133.10109	2.7
135.08026	2.3
137.09601	13.2
145.10085	1.2
149.09576	7.4
149.13266	2.5
151.07565	1.3
156.54439	1.0
158.52237	1.1
163.07532	1.9
163.11192	2.7
165.09077	100.0
175.07532	1.6
175.11169	1.5
177.09082	4.9
178.72423	1.2
190.09859	1.7
191.10677	5.4
203.10735	1.4
203.14139	1.4
205.12198	7.4
216.05591	1.4
231.13779	1.6
233.15355	1.3
275.82150	1.4
288.77463	1.1
310.72385	1.3
427.35693	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08418	0.1
57.04543	0.6
60.37767	0.1
64.33392	0.1
69.03422	0.1
69.67742	0.1
81.38233	0.1
85.02856	0.2
87.67252	0.1
92.08908	0.6
92.09440	0.1
94.04035	1.2
95.17918	0.1
99.67519	0.1
105.03397	0.1
107.23212	0.1
109.91187	0.1
112.05046	0.2
115.69631	0.1
123.04431	0.1
123.06627	0.9
124.07489	0.2
133.05058	0.3
135.05379	0.2
150.07715	100.0
164.11433	0.1
211.34909	0.1
282.11844	0.2
294.63412	0.1
295.11411	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	426.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01853	7.1
55.05498	9.9
57.03417	7.1
57.07066	1.3
59.04981	1.2
61.02918	2.2
67.05489	23.0
68.73449	1.1
69.03417	13.9
69.07045	8.8
70.06573	1.0
71.04972	70.0
73.02879	1.9
79.05471	18.6
81.03378	8.8
81.04517	2.5
81.07030	31.9
82.04859	1.1
82.05300	1.7
83.04964	17.8
83.08585	4.5
84.08110	1.0
85.02883	30.8
85.06526	46.2
87.04439	2.5
87.36137	1.0
91.05452	37.3
93.07030	13.7
93.88074	1.1
95.04940	12.8
95.06049	8.5
95.08584	18.0
96.05270	1.3
96.06400	2.1
97.02863	14.2
97.06506	17.6
97.10123	1.7
98.97505	1.3
99.04428	15.0
99.08070	5.0
101.06016	2.3
105.03366	17.8
105.07006	38.7
106.03702	6.3
107.04922	5.3
107.08552	15.1
109.02863	6.4
109.06485	14.1
109.10136	9.4
111.04400	5.8
111.05542	19.4
111.08067	11.6
112.05884	4.8
113.05966	6.1
113.09612	1.5
115.03928	1.0
119.08548	18.5
121.06489	1.1
121.10138	8.9
123.04481	2.0
123.05524	17.8
123.08040	6.6
123.11673	9.1
124.05900	7.3
125.05968	6.6
125.09599	6.8
126.09897	1.2
127.03881	6.9
127.07510	2.0
129.05421	2.3
129.06956	5.5
129.09158	1.6
131.07008	5.4
131.08557	18.9
133.06465	4.2
133.10098	100.0
135.08067	3.7
137.06000	4.5
137.09644	1.8
139.11185	1.4
141.05522	2.0
141.06555	31.6
141.08900	1.2
142.06923	11.5
143.10651	5.1
145.04922	1.5
145.10062	1.1
147.07935	1.5
147.11668	22.2
149.09633	4.1
149.13152	1.3
151.07513	4.5
151.11160	21.9
157.10106	5.8
159.07661	6.4
160.07936	2.4
165.12718	5.3
169.12189	5.0
175.11134	22.3
181.12144	1.4
191.14204	1.5
192.14548	1.6
193.12184	15.9
205.65404	1.1
209.15361	2.4
210.15744	1.3
211.13249	61.3
219.01691	1.2
229.14304	58.2
237.02791	1.4
247.15363	49.4
355.13715	1.2
408.14682	1.4
426.15408	4.7
427.19434	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	426.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.2
54.81521	0.6
55.01866	1.6
55.05489	1.6
57.03429	6.1
57.07058	0.8
59.04985	1.0
61.02906	1.2
63.05321	0.6
67.05486	4.2
69.03411	34.1
69.07042	3.8
70.06586	0.7
71.01321	0.6
71.04974	6.8
73.02891	3.1
73.47961	0.6
79.05480	4.9
81.03394	54.1
81.07030	1.5
83.04973	1.5
83.08578	2.5
85.02884	24.7
85.06523	1.2
87.04456	1.2
88.10107	0.7
92.09126	1.1
93.07018	2.7
95.01300	95.2
97.02867	36.0
97.06519	0.9
99.04425	11.1
105.03367	1.2
105.06983	0.9
107.04941	4.4
107.08555	1.4
108.04461	1.2
109.02858	40.2
109.03613	1.3
109.10129	5.5
113.02343	100.0
115.03898	1.1
119.08585	0.9
121.10069	1.1
123.07980	0.9
125.13242	0.7
127.03880	35.5
127.04816	1.3
133.04871	0.8
135.04396	3.4
135.11632	0.7
137.98105	0.6
145.04950	3.4
145.10077	0.7
161.05922	0.8
163.11188	1.0
167.06952	0.7
171.11569	0.7
185.04370	1.4
211.17001	0.8
229.14296	4.0
239.05447	56.0
257.06491	17.1
373.18362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
54.06635	1.6
55.05507	14.4
57.07059	6.9
67.05502	29.1
69.07054	57.9
71.04964	7.6
71.08606	2.2
76.56061	1.6
79.05463	23.6
81.07043	100.0
83.08597	13.7
89.05994	6.9
91.05447	11.7
93.07027	54.2
95.04975	2.1
95.08583	71.7
97.10149	3.9
103.70615	1.7
105.07016	32.5
105.96471	1.8
107.07873	2.5
107.08579	55.5
109.10149	62.3
109.99108	2.0
111.11682	3.0
119.08564	36.0
121.10120	60.7
123.11655	17.4
127.11163	6.8
131.08566	10.6
133.10106	24.6
135.11662	32.7
137.13239	13.3
143.08594	2.0
145.10107	16.9
147.11690	27.7
149.13248	23.2
157.10065	4.0
159.11697	20.9
161.13263	18.0
163.14818	4.5
171.11629	3.8
173.13243	9.9
175.14774	12.1
177.16367	10.8
178.66341	1.9
185.13161	2.9
187.14761	8.7
189.16348	14.8
191.17929	7.1
201.16360	4.1
203.17891	8.0
215.17867	7.9
217.19446	8.1
229.19417	3.1
231.21049	2.6
257.57159	2.0
259.24216	1.8
271.24255	2.9
407.36771	8.3
425.37772	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	425.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
54.01620	2.9
55.05511	37.2
57.07064	14.6
64.33370	3.2
67.05487	37.8
69.07054	56.6
71.04976	3.7
79.05473	18.9
81.06590	7.0
81.07034	100.0
83.08595	21.5
89.06020	19.9
91.05463	22.3
93.07018	79.6
95.08591	91.2
96.37134	3.3
97.10139	8.0
105.06996	44.5
107.08590	72.2
109.06471	4.8
109.10133	82.6
119.08549	41.3
121.10132	58.3
123.11668	27.4
131.08543	14.1
133.10120	40.5
133.49265	3.6
135.11678	32.3
137.13202	13.3
145.10124	26.7
147.11655	36.4
149.13248	22.2
159.11647	28.5
161.13239	21.1
163.14801	13.9
173.13197	13.4
175.14821	18.4
177.16380	7.3
187.14806	8.0
189.16380	14.0
191.17903	4.6
201.16344	5.6
213.16357	4.6
229.19461	7.2
231.21022	5.6
238.02429	3.6
239.14902	6.5
259.24240	4.5
285.86032	3.4
407.36600	6.3
425.13998	3.6
425.37830	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17651	3.1
53.03939	3.7
55.05497	20.4
55.68316	3.2
57.07066	8.4
58.60445	4.1
67.05484	31.1
69.07054	62.6
79.05477	27.9
81.07037	100.0
83.08603	14.6
89.06003	8.9
91.05449	18.2
92.08923	18.1
93.07025	54.7
95.08587	97.7
97.10145	5.7
105.07011	38.1
107.08579	71.6
108.83694	4.4
109.10134	57.7
111.11701	6.2
119.08557	47.0
121.10120	44.0
123.11681	23.3
124.24606	3.8
131.08565	17.0
133.10106	27.7
135.11697	27.4
137.13222	9.9
145.10088	20.7
147.11653	17.7
149.13255	15.3
157.10107	5.3
159.11661	21.6
161.13190	18.8
163.14801	6.6
171.11649	6.1
173.13242	22.0
175.14781	22.4
177.16350	15.2
180.13680	4.0
180.97527	3.8
187.14781	9.3
189.16350	9.6
191.17862	4.6
195.17352	4.7
203.14316	5.9
203.17952	7.6
213.16315	5.1
215.17900	5.3
240.15218	4.5
269.22473	4.6
325.28674	3.9
407.36826	8.4
425.33661	22.6
425.37936	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07886	0.7
53.03943	1.0
53.14283	0.8
54.81527	0.9
55.05301	0.7
55.05505	11.6
57.07070	12.7
57.86049	0.7
58.26544	0.8
60.75956	0.7
63.32452	0.8
65.69401	0.8
66.78240	0.7
67.05495	18.4
68.28539	0.8
69.07056	28.0
70.07373	1.0
71.08615	6.1
79.05485	11.1
81.07039	69.8
83.08602	8.9
83.81774	0.9
89.06017	4.1
91.05456	11.5
92.09241	1.5
93.07026	21.8
95.04982	1.1
95.08586	100.0
95.59661	1.0
97.10152	5.5
105.07018	19.6
105.61939	0.9
107.08581	31.5
109.06483	1.1
109.10142	37.6
110.35985	1.0
111.11707	1.2
113.84566	0.9
117.07029	3.8
117.87316	1.0
119.08561	17.9
121.10122	23.1
123.11690	18.4
129.06984	1.2
129.20659	0.9
131.08556	11.9
133.10106	20.9
134.08890	0.9
135.11681	15.0
137.13243	32.5
143.08553	4.3
145.10127	15.4
147.11674	13.8
149.02321	30.4
149.13248	12.9
150.02661	12.6
151.14783	1.3
157.10117	4.2
159.10483	1.4
159.11661	13.2
161.13235	11.2
163.14868	3.1
171.11734	2.2
173.13257	8.4
175.14816	4.8
177.16341	4.8
185.13254	6.1
187.14757	5.0
189.16374	7.9
191.17905	5.2
199.14763	5.5
201.16371	8.9
203.17921	4.1
205.19511	3.8
213.16350	4.2
215.17905	5.7
217.19524	4.7
219.17371	3.2
227.17867	5.3
229.19423	4.2
233.18939	1.9
241.19449	1.4
255.20987	1.3
257.22638	2.2
271.23843	0.9
283.24167	1.1
398.01382	0.9
402.93210	1.0
407.36786	9.2
425.38120	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	425.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	29.9
57.07074	8.6
65.28489	4.5
67.05502	39.2
69.07047	63.1
79.05486	21.1
81.07032	100.0
83.04970	11.7
83.08619	22.7
89.06010	29.4
91.05452	24.2
91.08297	5.9
92.08804	42.5
92.09428	12.3
93.07022	72.5
95.05004	5.7
95.08582	87.6
97.10159	6.9
105.06992	38.2
107.08566	63.1
109.10142	62.0
116.97124	5.4
119.08559	45.0
121.10092	53.8
123.11661	19.0
131.08549	7.7
133.08559	5.7
133.10114	30.9
135.11700	28.5
137.13239	7.6
139.50124	5.5
144.61224	6.1
145.10091	11.9
147.11697	35.0
149.13231	20.9
153.96890	5.6
157.10120	6.7
159.11685	23.0
161.13283	19.9
163.14928	6.8
173.13234	10.8
175.14787	19.8
187.14861	10.6
215.17639	5.4
215.78004	5.7
325.28949	7.6
407.37030	5.6
425.37784	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.00287	2.9
55.05510	22.4
57.07057	6.8
59.50857	2.6
61.68126	2.2
62.18809	2.6
67.05489	31.8
69.07050	35.6
76.23634	2.5
79.05463	19.8
81.07037	70.0
83.08591	12.8
89.48532	2.6
91.05473	20.6
93.07019	61.1
95.04908	3.0
95.08583	97.3
97.10145	10.8
105.07011	53.0
107.08567	100.0
109.06517	3.3
109.10133	48.6
110.59223	3.5
111.11734	2.6
119.08566	54.7
121.10133	53.9
123.08063	4.5
123.11658	22.7
131.08531	14.6
133.10120	48.3
135.11664	77.1
137.13263	6.5
143.08553	3.2
145.10091	19.0
147.11667	38.0
149.13214	27.0
157.10065	4.3
159.11690	6.5
161.13242	29.4
163.14755	33.4
173.13208	4.6
175.14778	13.6
177.16347	5.1
179.14386	3.4
185.13261	4.0
187.14769	12.8
189.16347	25.1
191.17889	13.7
201.16402	6.1
203.17947	27.9
205.19496	6.7
213.16544	5.5
215.17917	5.6
217.19470	24.7
245.22594	4.9
245.57608	2.8
351.65927	3.5
382.34454	3.1
407.36597	12.2
425.32620	4.5
425.38165	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	425.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13574	0.7
53.03941	1.2
55.05504	17.9
57.07064	9.1
62.90265	0.8
65.75847	0.8
67.05494	32.4
69.03412	1.1
69.07056	30.0
70.32696	0.7
71.08599	1.2
79.05473	20.7
79.73547	0.7
81.07038	73.1
83.08601	12.9
91.05460	15.9
92.08796	5.3
93.07022	49.6
95.04949	3.7
95.08582	100.0
97.06519	4.9
97.10142	8.2
97.27648	0.7
99.08037	0.8
102.14821	0.9
105.07011	40.0
107.08575	82.1
109.06519	1.7
109.10139	69.1
111.08060	3.1
111.11739	1.7
117.06982	3.1
117.92079	0.8
119.08558	45.9
121.10117	52.2
123.08035	2.0
123.10802	1.0
123.11679	26.9
123.12541	1.3
125.09610	4.2
127.09853	0.8
131.08521	9.2
133.10107	32.5
135.08072	1.6
135.11667	45.1
137.13232	17.2
143.08540	1.2
145.10104	15.0
147.11664	31.1
149.13228	26.3
151.11168	1.2
151.14789	3.2
155.01161	0.9
157.10078	5.2
159.11659	16.3
161.13220	25.6
163.11157	0.9
163.14795	15.6
165.12721	1.2
171.11671	3.3
173.13211	7.6
175.14784	12.6
177.16370	6.0
179.14284	4.3
185.13232	3.5
187.14807	8.5
189.16345	19.1
191.17908	21.7
193.19516	1.3
199.14857	1.7
201.16365	8.2
203.14142	1.3
203.17876	17.0
205.19458	6.6
207.17371	7.0
213.16339	1.0
215.17851	8.1
217.19463	19.2
219.21056	1.8
225.82507	1.0
229.19403	1.5
231.21045	2.0
233.18948	1.3
241.19568	1.4
243.21056	1.6
245.22522	1.2
271.24219	1.1
299.27130	1.5
407.36758	10.6
425.37979	38.0
439.08057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87683	0.7
53.03924	0.8
55.05500	19.6
57.07068	11.6
65.03938	1.3
65.34469	0.8
66.74614	0.7
67.05143	1.4
67.05489	37.2
69.07054	32.7
71.04979	1.2
71.08603	2.1
79.05470	20.1
81.07037	75.8
83.08598	13.9
89.05991	0.8
89.69459	0.9
91.05453	17.9
92.08707	5.7
92.09323	3.3
93.07023	52.1
95.04930	3.4
95.08583	100.0
97.06510	5.0
97.10136	7.4
99.08110	0.9
105.07008	44.8
106.07332	1.0
107.08576	81.0
109.06502	2.2
109.10139	83.6
111.08069	1.4
111.11668	1.3
113.00008	1.4
113.01762	0.9
115.05449	1.2
117.06992	4.7
119.08553	42.6
121.10120	52.6
123.07996	2.0
123.11681	30.2
125.09579	5.6
125.79089	1.0
127.11208	1.0
131.08548	10.7
133.10106	32.9
135.08090	0.9
135.11662	52.7
137.13239	15.8
139.11073	1.2
143.08522	4.1
145.10106	16.2
147.11668	35.5
149.13243	29.4
149.14476	1.2
151.11116	1.1
151.14781	1.1
157.10115	1.7
159.11653	20.4
161.13229	26.4
163.11127	0.9
163.14795	18.5
165.16435	1.2
171.11644	4.0
173.13191	9.0
175.14769	11.8
177.16385	8.6
179.14265	7.3
183.11543	1.1
185.13235	4.0
187.14784	6.3
189.16351	19.3
191.17915	27.5
199.14856	1.3
201.16319	11.0
203.14212	0.9
203.17908	18.0
205.19461	8.7
207.17430	7.4
213.16359	2.0
215.17937	8.1
217.19489	21.5
219.17424	1.5
219.21100	1.4
221.18909	1.2
227.17986	1.2
229.19521	1.3
233.19037	1.6
235.20544	1.4
241.19360	1.8
243.21152	2.2
245.22621	1.7
257.22495	2.2
271.24097	2.2
285.25647	1.3
299.27200	1.0
326.54819	0.9
389.31989	1.2
407.36792	13.1
425.37958	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	425.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	19.6
55.43876	2.1
57.07063	8.8
67.05485	27.1
69.07052	35.7
79.05467	15.7
81.07040	62.2
83.08595	14.0
83.10551	1.9
89.05981	8.9
91.05453	22.0
92.08987	18.8
93.07032	53.0
95.04916	3.5
95.08584	100.0
97.10159	9.6
105.07001	38.2
107.08577	71.1
109.10133	74.2
117.06998	3.0
119.08546	44.0
121.10120	51.5
123.11677	26.2
133.10112	29.6
135.11668	37.9
137.13217	9.7
145.10136	13.8
147.11644	25.8
149.13237	46.4
151.14824	2.8
159.11693	11.7
161.13222	24.6
163.14766	17.8
165.08989	3.3
168.33875	2.3
173.13243	5.3
175.14801	13.7
177.16335	17.5
179.14301	3.5
187.14793	11.7
189.16341	14.9
191.17860	32.6
201.16377	4.8
203.17874	18.4
205.19510	17.2
215.17944	9.9
217.19542	19.0
229.19551	5.5
231.21144	3.1
239.14891	3.8
243.21118	2.7
245.22707	3.2
246.19392	2.3
247.20520	3.4
252.26834	9.0
254.32803	2.3
262.52298	2.1
384.21942	3.9
407.36725	4.5
425.37930	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.00299	1.1
53.03936	1.7
55.05501	17.8
57.03421	1.1
57.07058	6.1
58.26403	0.9
65.03951	0.9
67.05491	39.3
69.03431	1.2
69.06718	1.4
69.07059	27.8
71.08639	1.1
78.94094	1.0
79.05045	1.4
79.05473	19.7
81.07037	67.0
83.08605	12.8
91.05467	16.9
92.08793	1.5
92.09273	1.3
93.07024	58.6
95.04948	2.0
95.08585	100.0
97.06519	4.1
97.10154	7.4
100.32573	1.0
105.07018	37.0
107.08575	86.6
109.06502	2.1
109.10139	74.2
111.08071	1.7
111.11662	1.3
117.07008	4.2
119.08562	42.3
121.10120	52.4
123.08051	1.6
123.11673	28.1
124.15942	1.0
125.09608	2.3
131.08569	10.9
133.10109	37.1
135.11667	49.5
137.13219	13.4
143.08501	1.0
145.10115	12.7
147.11664	33.4
149.13231	29.5
157.10086	4.0
159.11659	18.7
160.81664	1.0
161.13239	28.5
163.14801	15.7
165.12717	1.2
173.13214	8.3
175.14777	12.8
177.16371	4.8
179.14265	4.1
185.13248	1.8
187.14784	5.9
189.16365	17.9
191.17917	31.9
201.16348	10.9
203.17886	18.8
205.15829	1.4
205.19447	7.1
207.17450	6.3
215.17955	6.0
217.19484	18.3
219.17310	1.1
219.21107	1.3
229.19447	1.9
233.18994	1.7
235.20433	1.7
243.21118	1.1
245.22513	1.6
255.20950	1.2
257.22580	4.9
259.24216	1.4
271.24210	1.5
288.00220	1.0
407.36798	12.4
425.37723	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	425.3412
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
52.85334	0.9
53.10455	1.0
55.05502	6.5
57.07061	5.5
63.46907	1.1
67.05489	14.8
69.07054	15.6
69.97184	1.2
71.08604	1.7
77.58297	1.3
79.05500	10.5
81.07044	38.1
83.04929	1.3
83.08611	5.6
91.05470	9.2
92.08791	2.4
92.09286	1.9
93.07029	33.3
95.04942	2.1
95.08588	38.2
97.06520	1.7
105.07014	31.4
107.08579	43.2
109.06514	2.6
109.10141	31.4
111.08083	1.3
117.07011	5.5
119.08575	35.6
121.10133	29.7
123.08032	1.4
123.11704	6.1
125.09620	1.5
129.07013	2.5
130.07687	1.6
131.08554	12.7
133.10109	30.7
135.11691	10.9
137.09572	1.3
137.13264	6.3
143.08554	10.6
145.10104	25.4
147.11665	20.9
149.13243	30.1
151.11169	2.2
155.08627	1.5
156.09372	1.7
157.10092	13.9
159.11665	20.2
161.13232	8.8
163.14807	40.8
169.10143	2.7
170.10751	1.5
170.95969	1.5
171.11693	13.1
173.13277	13.6
175.14780	11.2
177.16391	5.5
183.11739	2.5
185.13208	12.2
187.14812	15.3
189.16316	11.7
197.13313	1.6
199.14861	9.0
201.16333	9.8
203.14476	1.5
203.17892	11.6
205.15962	5.2
211.14742	1.7
213.16280	10.6
215.14470	1.5
215.18027	11.6
223.16823	1.9
225.16371	1.8
227.17924	12.0
228.18823	2.1
229.19576	8.6
239.17877	5.0
241.19537	6.5
243.21156	5.5
253.19574	2.0
255.21046	24.9
257.19000	4.9
269.22635	6.8
275.20093	1.8
283.20496	1.7
301.21408	9.2
308.24899	1.3
389.31998	6.1
407.33066	12.4
425.34116	100.0
426.34537	1.5
429.28772	1.3
445.67807	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.1
57.03421	3.3
57.07050	2.8
67.05492	15.3
69.04540	3.0
69.07056	26.2
69.77485	2.3
72.74609	2.7
73.54408	2.4
79.05468	15.4
81.07035	45.4
83.08604	3.5
91.05464	16.8
93.07014	32.6
95.04933	3.0
95.08577	53.0
105.06989	31.7
107.08571	52.7
109.10119	32.4
117.06988	6.4
119.08565	33.0
121.10128	34.5
122.60130	2.5
123.11665	12.6
123.20601	2.7
128.48476	2.9
129.45021	2.9
131.08540	14.7
133.10095	30.5
135.11641	12.5
137.13258	5.2
142.48174	3.0
143.08543	13.6
145.10164	24.9
147.11667	32.4
149.13235	26.4
157.10127	4.5
158.10861	3.1
159.11703	18.5
161.13274	6.3
163.14815	51.7
171.11617	12.0
173.13252	12.7
175.14806	14.8
177.16373	3.8
185.13257	12.1
187.14799	18.5
189.16399	10.7
197.13203	3.4
199.14781	6.0
201.16333	11.7
203.17924	4.8
213.16344	3.9
215.17906	16.7
227.17952	4.2
228.18837	3.3
229.19429	4.4
241.19440	4.8
255.20921	19.6
269.22632	11.2
275.20084	4.2
301.21564	6.9
377.62424	3.4
407.33051	11.3
425.34048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3412
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05500	11.9
57.07071	9.1
67.05499	9.3
69.07060	36.3
70.07399	3.2
71.08602	5.7
79.05478	5.1
81.07052	25.1
83.08611	3.7
87.56517	2.3
89.06021	15.2
91.05466	3.6
93.07021	15.2
95.08594	30.6
105.07013	15.0
107.08572	18.3
109.10160	16.5
119.08578	17.4
120.11273	2.2
121.10146	13.1
123.11715	5.1
131.08562	3.4
133.06497	14.4
133.10141	13.9
135.08025	4.9
135.11684	5.6
143.08519	2.2
145.10101	5.2
147.11676	4.0
149.02324	62.2
150.02644	18.7
154.96184	2.7
157.10147	4.8
159.11696	8.9
161.09586	2.5
161.13255	12.9
162.10474	2.3
163.14771	3.4
173.13295	2.9
175.11198	2.5
175.14964	2.4
189.12735	2.7
201.12700	2.6
203.14282	33.8
203.15956	2.8
203.18005	8.9
205.15826	31.0
213.12895	2.4
217.15813	2.9
226.56612	2.2
239.14841	3.9
407.33231	10.8
410.40402	2.3
425.34079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.05510	18.4
57.07072	7.5
60.24049	3.4
67.05492	32.9
69.07053	29.2
79.05473	25.2
79.45804	4.0
81.07037	54.0
83.08613	8.5
91.05460	25.2
92.08839	18.3
93.07018	59.7
95.04918	6.9
95.08593	74.1
97.06476	4.7
97.98024	4.7
98.33838	4.5
100.71153	4.5
105.03365	38.0
105.07019	57.1
106.03733	15.2
107.08579	89.0
109.10152	42.2
111.08052	5.6
117.06956	13.6
119.08546	61.1
121.10123	56.6
123.02723	4.1
123.08078	5.9
123.11684	10.2
131.08566	33.9
133.10114	45.8
135.11766	12.8
143.08546	5.8
145.10097	55.6
147.11690	30.9
149.13298	34.0
155.08527	6.5
157.10139	22.9
159.11610	37.8
161.13274	17.7
163.14804	41.4
163.87251	3.9
171.11642	16.8
173.13231	16.4
175.14789	18.7
179.07030	8.2
180.07376	5.4
185.13161	6.3
187.13391	4.8
187.14761	38.4
199.14807	6.0
201.16351	26.7
215.17899	10.6
233.09775	4.8
238.65662	4.0
255.21118	6.2
262.21701	5.6
269.22552	5.7
300.16409	4.4
306.77158	4.3
337.16055	5.5
425.34048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3409
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.80960	2.5
54.68501	2.9
55.05495	14.9
57.88710	2.7
59.06107	3.6
62.57059	2.9
67.05482	23.8
69.07048	25.5
79.05463	17.7
81.07037	47.1
82.53731	2.8
83.08593	8.0
91.05447	18.2
92.08998	28.8
93.07009	34.1
95.08588	66.6
105.07011	53.4
107.08584	52.7
109.06477	5.0
109.10159	29.8
117.06985	3.9
119.08549	59.0
121.10117	45.0
123.08050	4.2
125.09734	3.6
129.07004	3.5
131.08571	28.5
133.10118	36.3
135.11665	14.7
137.09654	5.0
137.13292	5.6
143.08556	18.4
145.10097	26.1
147.11670	17.8
149.13239	21.0
155.08516	4.1
157.10117	21.9
159.11678	33.5
161.13176	6.7
163.14812	44.8
165.94360	3.5
171.11678	16.5
173.13243	23.8
175.14827	23.0
177.16310	33.1
183.11609	5.8
185.13185	5.6
187.14801	16.8
189.16319	14.4
193.15813	3.4
197.13240	4.7
199.14760	7.2
201.16435	12.4
203.17871	14.2
211.14824	5.9
213.16382	6.5
215.17920	18.0
217.15807	3.8
227.17960	13.0
229.19418	6.6
231.21077	4.6
235.16942	5.7
239.17940	4.0
241.19492	3.6
255.20940	10.5
326.22495	4.0
389.32016	16.4
407.32944	23.2
425.28445	7.0
425.33969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.341
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
53.00309	0.3
53.03930	0.4
53.48885	0.3
55.01845	0.3
55.05505	4.8
57.03415	0.2
57.07052	0.7
57.36569	0.2
67.05148	0.3
67.05495	8.8
69.07055	11.6
71.09875	0.3
74.67206	0.3
79.05466	3.9
81.07037	18.8
83.04937	0.4
83.08590	2.8
89.06024	0.6
91.05436	1.7
92.09187	0.6
93.07027	3.8
95.08585	10.8
97.10143	1.7
105.07001	1.5
107.08578	3.7
109.06526	0.4
109.10143	12.1
111.11696	0.3
119.08553	4.3
121.10127	2.1
122.07243	1.5
123.11674	3.0
133.08578	0.6
133.10106	1.5
135.08041	2.6
135.11646	1.2
137.09584	13.5
137.13242	1.7
145.10072	0.6
147.11786	0.4
149.02278	0.4
149.09605	4.4
149.13200	1.4
151.07526	0.7
157.10127	0.5
159.11679	0.5
161.09590	0.6
163.07530	1.3
163.11160	1.3
165.09077	100.0
167.10728	0.3
171.11569	0.4
173.09576	1.1
175.07533	1.4
175.11098	0.4
176.08228	0.6
177.09064	2.9
177.12805	0.4
179.10617	0.7
187.11127	0.6
188.08174	0.3
188.11847	0.3
189.09015	2.2
189.12741	0.5
190.09814	1.2
191.10678	1.9
203.10580	2.7
203.14305	0.4
205.12190	4.9
217.12216	1.6
231.13727	1.4
239.14780	0.6
245.15405	0.5
261.25870	0.5
289.20752	0.3
397.06702	0.3
425.34064	8.0
426.25803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3409
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
51.98808	1.0
55.05495	7.4
57.07065	1.5
67.05502	9.6
69.07052	13.5
74.94657	1.0
78.72072	0.9
79.05469	6.2
80.11499	0.9
81.07032	28.6
83.04967	1.5
83.08601	4.4
86.18619	0.9
91.05460	9.6
91.89702	1.0
92.08608	1.8
92.09222	4.8
93.07014	22.2
95.04942	1.7
95.08585	30.2
97.06506	1.7
97.34498	1.0
105.07014	21.2
107.08577	35.3
109.10140	23.2
111.08064	1.7
117.06987	1.8
117.45613	1.0
119.08557	27.4
121.10104	20.8
123.11695	6.9
125.09565	1.4
127.58170	1.3
128.79817	1.1
131.08542	11.4
133.10109	21.6
135.11682	10.4
135.75800	1.0
137.09567	1.0
137.13246	7.2
142.07735	1.2
143.08531	9.1
145.10088	18.3
147.11642	18.0
149.13226	28.1
151.11169	1.4
155.08472	1.8
157.10071	10.3
159.11656	15.5
161.13213	8.5
163.14790	36.7
165.12755	1.6
169.10062	2.0
171.11674	10.1
173.13232	12.6
175.14801	12.3
177.16342	4.7
183.11700	4.7
184.12544	1.3
185.13248	9.1
187.14771	12.3
189.16391	11.2
193.15787	1.3
197.13200	2.2
199.14795	6.7
201.16281	10.1
203.17938	8.4
205.15840	5.9
209.13231	1.2
211.14738	1.9
213.16353	7.6
215.17891	11.4
223.14925	1.4
223.16937	1.3
225.16362	2.0
227.17871	11.5
229.19540	4.8
239.17923	2.1
241.19487	6.4
243.21103	6.0
251.18135	1.0
253.19518	4.0
255.21027	20.7
257.22693	1.5
269.22644	5.9
275.19998	2.4
283.20416	2.1
285.57239	1.1
301.21591	10.9
307.23990	1.2
389.31851	2.3
407.33023	17.1
425.34067	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36454	1.5
55.05501	14.6
57.07066	2.6
66.91806	1.4
67.05489	23.9
69.07045	30.4
79.05466	26.0
81.07032	61.7
83.08592	8.6
83.87713	1.7
91.05463	28.7
92.08862	16.2
93.06484	3.1
93.07024	64.6
95.04945	16.4
95.08578	99.8
97.06504	2.4
97.10152	3.2
105.07008	75.0
107.08575	87.2
109.06475	3.7
109.10137	47.4
116.11742	1.7
117.06978	7.5
119.08553	68.3
121.06493	10.3
121.10116	54.5
123.08022	1.8
123.11639	11.9
129.06967	3.4
131.08531	49.4
131.88544	1.7
133.09082	1.7
133.10101	54.0
135.07954	3.6
135.11687	21.6
137.09579	1.7
138.44443	1.5
142.07767	1.6
143.08578	11.7
144.09325	1.7
145.10100	34.7
147.08011	2.0
147.11659	41.2
149.09586	3.6
149.13232	52.5
157.10136	14.8
159.11678	15.9
161.09555	10.2
161.13226	25.1
163.11171	16.0
163.14781	53.7
167.90295	1.8
171.11627	11.1
172.12445	1.8
173.13222	50.5
175.11145	9.2
175.14781	37.0
177.16335	23.2
185.13181	7.1
187.14816	26.0
189.16318	24.7
190.13492	1.9
191.14264	46.8
191.17897	9.5
193.12241	11.4
193.15851	2.7
199.14835	2.7
201.16321	8.6
203.14326	16.8
203.17917	100.0
205.15868	1.7
213.16365	7.1
215.17911	8.0
217.16037	2.3
217.19522	2.3
221.15306	25.7
227.17854	2.5
231.21091	3.9
239.17870	1.8
395.32904	7.6
407.33011	19.0
425.33939	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	425.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	0.6
69.07043	0.6
71.04977	0.4
74.70607	0.3
81.03400	0.4
81.07024	1.9
84.56128	0.3
90.42512	0.4
92.08961	1.6
93.07025	1.8
93.78598	0.4
95.04956	0.7
95.08575	0.8
105.03365	0.6
107.08585	1.5
108.02312	0.4
109.10150	0.5
114.36005	0.4
119.08523	0.5
121.10125	0.8
121.47995	0.4
135.11728	0.9
150.13539	0.5
150.46730	0.4
158.08043	0.5
161.13251	0.4
177.12750	0.5
227.20062	0.5
253.45914	0.5
259.17120	0.4
308.10571	0.4
310.41043	0.4
425.14066	100.0
426.14282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1413
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
54.41175	0.3
55.75228	0.3
57.51773	0.3
64.33060	0.5
65.19333	0.3
69.03403	0.4
71.04992	0.4
73.32518	0.3
81.07014	0.5
85.06513	0.4
92.08793	0.6
92.09283	0.7
103.37917	0.4
125.08335	0.4
159.68321	0.4
167.14438	0.4
201.02126	0.4
227.16544	0.4
405.21222	0.4
425.14072	100.0
426.14597	0.6
441.14465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
54.81630	0.3
55.01865	0.7
55.05496	4.0
56.96538	0.5
57.03421	2.2
57.07056	1.6
57.86224	0.5
58.92239	0.3
59.04984	0.5
61.02906	0.3
67.05482	3.3
68.05016	2.0
68.48734	0.3
69.03413	6.1
69.07053	10.1
70.06581	0.5
70.07384	1.9
71.04960	3.2
79.05471	3.4
81.03398	8.8
81.04519	9.9
81.07030	5.0
82.05296	5.8
82.07382	0.9
83.04965	2.6
83.06081	3.9
83.08602	2.3
84.04518	0.6
85.02891	7.3
85.06522	2.0
86.03255	0.4
87.57389	0.3
91.05472	1.7
92.08921	1.6
93.07024	6.2
94.07337	0.5
95.04964	5.4
95.06064	23.0
95.08585	7.0
96.04456	0.5
96.08904	0.9
97.02865	4.7
97.06493	3.4
98.97530	0.7
99.04456	3.2
99.08085	1.6
101.05994	1.5
105.03368	42.0
105.07001	3.7
107.04942	0.5
107.08580	10.8
108.08904	2.4
109.02881	3.3
109.06510	2.8
109.10134	11.2
110.06921	0.3
110.10484	2.0
111.05546	88.3
111.08088	1.9
111.11697	4.1
112.12033	0.5
113.05976	0.7
114.15607	0.4
117.06981	0.5
119.08545	3.0
120.08881	0.7
121.10121	7.6
122.10437	1.9
123.04570	2.1
123.05523	53.6
123.08010	5.2
123.11664	1.5
124.08377	0.7
125.05962	0.6
125.09583	2.5
127.03880	2.5
127.07552	1.8
131.08545	2.9
133.10110	6.5
134.10457	0.6
135.08028	2.4
135.11670	7.1
136.12007	2.0
137.09593	2.2
138.09988	0.4
139.11169	0.6
141.06564	100.0
145.10098	1.7
147.08054	0.5
147.11662	5.0
148.12007	0.7
149.09593	2.5
149.13243	3.4
150.09961	0.4
150.13570	1.8
151.11139	1.6
153.09088	0.6
153.12711	10.0
154.13065	2.6
158.10886	0.7
159.07616	35.8
163.11095	0.8
163.14799	3.3
164.15073	0.5
165.12715	1.9
167.10756	0.5
167.14270	0.6
173.13226	4.5
174.13490	1.5
191.14285	6.5
192.14667	1.8
209.11775	1.4
209.15334	12.0
210.15652	5.0
213.04347	0.4
219.01498	0.4
227.12827	0.8
227.16354	8.3
228.16669	3.5
237.02753	0.6
245.13785	0.5
249.07477	1.7
262.99762	0.8
267.08667	0.4
272.53925	0.4
365.05368	1.4
377.13281	5.1
407.14648	2.9
420.66107	0.4
425.15057	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	425.3412
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.84444	2.5
54.81742	2.8
55.05489	7.4
56.87908	2.8
59.98504	3.3
67.05493	27.2
69.07050	31.3
70.00892	3.7
71.47840	2.9
79.05458	22.9
81.07034	70.4
83.04929	3.9
83.08597	15.0
83.51656	3.2
91.05455	20.9
92.08788	16.7
92.64285	3.4
93.07016	53.3
95.04958	3.8
95.08584	100.0
105.07008	53.4
107.08572	91.3
109.06507	5.6
109.10145	53.5
117.07011	13.2
119.08566	50.2
121.10108	52.2
123.11695	13.5
129.07028	3.4
130.49562	4.3
131.08543	36.9
133.10095	42.8
135.07993	3.9
135.11650	21.3
143.08536	17.4
144.09236	3.7
145.10098	44.5
147.11687	34.9
149.13249	39.3
156.09251	4.3
157.10127	25.3
159.11635	32.0
159.65845	3.2
161.13257	15.7
163.11197	5.7
163.14761	42.6
169.10120	4.2
171.11650	15.1
173.13228	37.1
175.11121	3.8
175.14815	20.9
177.16351	13.0
183.11642	6.0
185.13185	7.9
187.14792	17.5
189.16354	20.3
191.14313	23.0
201.16359	7.5
203.14357	7.1
203.17926	29.5
209.13116	3.3
211.14839	3.9
213.16376	4.7
215.17912	17.7
221.15305	6.4
227.17938	6.4
231.17020	3.3
243.20927	5.4
255.21146	23.6
257.22424	3.7
269.22687	5.6
276.16745	3.7
300.56305	3.8
307.07599	3.8
311.23627	4.2
361.35007	3.3
381.05988	3.3
389.32013	13.7
407.33173	23.1
425.34018	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1408
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
55.01857	0.4
55.05502	1.8
57.03429	0.8
57.05700	0.4
61.68485	0.4
64.33478	0.4
67.03683	0.4
67.45641	0.5
69.03403	1.2
69.07037	1.8
71.04961	0.8
81.07027	4.4
83.04969	1.1
83.08589	0.6
83.93723	0.5
85.02869	1.9
85.06516	1.1
91.05453	3.0
92.05774	0.6
92.08713	1.0
93.07004	2.8
95.04937	2.8
95.08600	1.9
97.02867	1.0
97.06487	0.5
99.04423	1.8
105.07012	0.7
107.04961	1.0
107.08569	2.1
109.06465	0.8
109.10143	2.0
110.09644	0.7
111.08009	0.7
119.08549	1.7
121.06447	0.7
121.10108	2.6
133.10104	1.9
135.07974	0.6
135.11685	0.8
138.09126	3.1
139.11162	0.5
147.11609	0.6
149.13161	1.7
151.11136	0.5
163.14871	0.8
165.12781	0.7
166.08600	2.8
173.13245	0.5
191.14297	2.6
192.14629	0.5
209.15288	4.9
210.15588	1.1
227.16397	2.9
227.21385	0.5
263.13968	1.0
271.48346	0.5
293.09940	2.9
425.14078	100.0
426.14166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43098	0.6
55.01838	1.0
57.03428	1.7
61.02912	0.9
69.03425	6.5
70.06561	3.8
71.04926	1.0
73.02917	0.9
77.00831	0.6
81.03410	1.4
81.04527	0.8
82.99825	1.2
84.04470	1.1
84.08121	2.9
85.02888	10.4
87.04456	0.8
87.15246	0.6
94.99827	0.7
95.72566	0.7
97.02863	7.0
98.97554	1.0
99.04408	0.9
101.00854	18.5
105.00342	0.9
109.02871	2.8
111.04443	0.8
112.07581	0.8
113.00848	0.9
115.02385	1.1
115.03973	0.8
116.07056	1.6
116.98655	0.6
119.01893	55.3
120.02007	1.1
127.02373	1.4
127.03894	3.3
130.08604	0.8
131.01880	18.6
133.03439	3.0
137.02928	8.0
138.02705	0.8
138.52750	0.7
143.01877	39.9
144.02765	0.8
145.03436	20.2
146.03590	0.8
147.01335	1.1
147.03154	0.8
147.05081	1.0
149.02950	3.3
149.05981	0.8
150.06281	0.8
151.04541	0.9
151.56699	0.6
153.03171	3.4
153.53229	0.9
154.81070	0.6
155.01860	19.5
157.03430	16.4
161.02921	99.0
162.03445	1.2
163.03004	0.7
163.04443	2.8
164.54121	0.6
167.01831	8.9
167.07010	6.3
168.07341	1.4
169.03421	5.4
171.01382	0.7
171.05046	5.0
173.02930	39.9
175.04466	8.0
177.05492	0.9
179.01920	4.6
179.03975	3.1
185.02921	61.7
187.04515	7.3
191.03970	8.8
197.02914	22.9
199.04460	1.3
202.05934	0.7
203.03963	18.6
205.05605	3.0
208.04594	0.7
209.02882	0.9
209.07915	1.0
215.03998	13.3
221.05008	3.8
223.06563	7.0
224.06815	0.9
225.06378	1.0
227.03975	12.4
227.09187	1.1
228.09442	0.7
239.04111	2.9
241.07622	3.1
242.07777	0.8
245.05011	100.0
246.05200	0.8
257.04892	5.5
259.82388	0.7
263.06097	24.1
265.07483	5.9
275.06046	10.4
293.07077	3.8
305.07278	8.9
307.08771	1.0
335.08084	3.4
365.09250	7.0
381.12650	1.0
425.06726	6.2
425.10925	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	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
54.82046	0.5
55.01859	0.9
55.05502	8.7
57.03426	4.3
57.07061	0.9
59.05005	0.8
59.37510	0.5
61.02893	0.9
67.05496	4.9
69.03422	6.4
69.07062	9.8
71.04973	7.0
71.22820	0.6
79.05455	5.6
80.70305	0.6
81.03384	1.5
81.07036	17.3
83.04967	35.0
83.08602	5.1
84.33676	0.6
85.02885	12.5
85.03355	0.7
85.06531	5.1
86.09706	0.9
87.04456	0.7
91.05453	3.6
92.08682	0.9
92.09164	2.4
93.07024	20.0
93.07574	1.3
95.04937	4.4
95.08576	12.9
95.92970	0.6
97.02866	1.2
97.06503	3.9
97.10136	1.1
98.06042	4.2
98.89516	0.7
99.04424	7.0
99.08070	5.1
101.05978	1.0
105.03364	8.2
105.06993	7.6
107.08577	32.0
107.90598	0.6
109.06502	5.4
109.10138	18.7
109.10847	0.8
111.08068	5.5
113.09655	1.3
117.07053	0.8
119.08577	6.5
121.06483	0.7
121.10118	26.6
123.04386	1.0
123.08050	8.0
123.11699	7.1
125.05956	1.7
125.09601	4.9
127.03860	0.9
127.07533	43.6
127.08481	1.5
127.11175	3.9
131.08560	6.0
133.10110	7.4
135.08047	5.4
135.10646	1.4
135.11674	39.1
137.09598	3.7
137.13222	1.1
139.07413	0.6
139.11191	1.1
140.07056	4.5
141.09145	1.1
143.10681	1.0
145.10097	2.8
147.11676	5.1
149.09581	1.4
149.13242	10.3
151.11179	5.9
153.09073	5.3
153.12711	2.6
155.10678	1.6
158.08116	6.3
158.10832	1.1
163.14783	7.9
167.14301	6.7
169.12263	0.7
173.13240	10.6
191.14255	14.4
209.15334	100.0
227.16411	21.0
244.09612	1.3
245.17419	0.9
262.16504	0.9
305.12698	0.7
324.58151	0.8
349.35181	0.6
424.12802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32556	0.6
53.03943	0.7
55.01859	5.3
55.05499	12.4
57.03425	4.1
57.07065	8.5
59.56074	0.6
61.02886	0.8
64.43045	0.7
67.05494	8.7
69.03394	5.3
69.07053	39.2
71.04977	8.6
71.08616	12.5
73.02888	7.3
79.05463	4.1
81.03407	1.3
81.07033	47.1
83.04952	6.7
83.08618	9.0
85.02883	50.3
85.06520	13.0
85.10162	4.1
91.05438	5.3
92.09204	3.5
93.07018	9.3
95.04941	1.6
95.08582	16.7
96.73317	0.7
97.02863	1.8
97.06496	6.3
97.10155	3.8
99.04425	14.1
99.08077	4.1
101.02362	21.0
101.05989	1.2
105.03373	3.4
105.07018	14.0
107.08578	16.1
109.02898	1.3
109.06485	11.2
109.10139	4.0
111.08067	4.6
113.05997	4.4
115.07552	3.0
119.08533	11.1
121.10113	24.9
123.08060	10.1
123.11681	54.0
127.03877	1.5
127.07529	15.4
133.10065	0.8
135.11638	1.6
137.09557	1.0
137.13222	4.2
140.71231	0.7
141.09108	5.6
147.11664	59.6
149.13222	0.9
155.14278	18.1
159.11676	1.0
165.12721	36.3
183.13760	99.3
192.93187	0.7
195.13803	1.1
195.23141	0.7
201.14819	100.0
201.34012	0.8
209.15334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78234	1.2
55.01857	2.0
55.05501	39.2
57.03429	3.5
57.07070	2.5
61.02910	1.5
67.05487	8.2
69.03422	10.3
69.07052	11.3
71.04965	5.8
79.05466	5.6
81.03414	2.5
81.07027	19.5
82.44694	1.2
83.04966	21.6
83.08602	32.9
85.02886	19.7
85.06535	5.8
88.37905	1.4
89.79182	1.5
91.05469	7.6
92.08697	1.6
92.09233	1.4
93.07014	16.8
95.04941	30.1
95.08600	11.7
97.02895	5.5
97.06485	14.8
97.10153	3.1
99.04439	3.5
99.08089	2.1
105.07005	15.9
107.08570	41.2
109.06499	35.3
109.10140	32.4
111.08033	9.8
115.07556	3.2
119.08545	11.2
121.10117	47.0
123.08056	3.1
123.11684	9.7
125.09576	11.2
127.03886	1.5
130.69553	1.3
131.08542	9.7
133.10097	43.0
135.08037	7.4
135.11696	10.3
139.11143	1.7
145.10126	6.0
146.10786	1.6
147.11667	12.5
149.09564	1.9
149.13228	14.7
151.11165	31.1
153.09041	11.4
158.10913	2.7
163.14798	8.3
167.14296	31.0
173.13217	23.4
191.14253	21.7
209.15331	100.0
227.16385	14.7
312.55917	1.4
444.64371	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01241	0.7
54.81712	0.7
55.05502	30.3
57.03422	3.3
57.07054	1.6
57.16967	0.7
59.02861	0.6
59.04967	3.3
67.05482	5.0
69.03409	4.5
69.07042	8.6
71.04956	3.9
72.58807	0.7
79.05459	3.8
79.62609	0.7
81.07038	15.2
83.04955	17.1
83.08604	23.8
83.96774	0.8
85.02896	7.7
85.06521	3.8
91.05469	4.0
92.08907	3.6
93.07021	12.7
94.66120	0.9
95.04949	20.5
95.08585	11.3
97.02850	1.9
97.06500	8.4
97.10143	1.7
99.04417	4.7
99.08049	1.9
105.07021	10.0
105.92225	0.9
107.08576	23.9
109.06504	15.5
109.10132	21.9
111.08054	5.7
113.09618	0.7
114.03711	0.8
115.07552	1.3
115.42309	0.8
119.08561	6.0
121.06479	1.0
121.09258	1.5
121.10123	29.2
121.13310	1.0
122.50328	0.7
123.08034	4.7
123.11675	6.6
125.09627	5.6
131.08556	7.0
133.10103	31.5
135.08051	3.3
135.11676	6.1
139.11154	10.9
145.10150	5.5
147.11699	7.3
149.09560	0.9
149.13237	8.6
151.11166	26.5
153.09129	6.9
157.12195	1.6
158.10880	4.0
161.28949	0.9
163.05887	0.9
163.14844	6.9
167.12845	1.1
167.13153	0.9
167.14270	34.8
173.13213	15.8
191.14272	14.4
209.15326	100.0
227.16325	11.8
243.20493	1.0
303.08630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01869	1.9
55.05498	12.5
57.03421	8.2
57.07065	2.3
59.04990	1.8
61.02917	4.2
67.05485	7.1
67.90952	1.0
69.03411	9.5
69.07057	28.2
69.92044	1.0
71.04984	11.8
71.08607	1.4
73.02905	1.6
74.64795	1.0
79.05466	11.9
81.03396	5.2
81.07037	61.0
83.04969	23.2
83.08598	9.7
85.02888	21.6
85.06535	5.8
91.05441	12.3
92.09116	10.7
92.38059	1.0
93.07021	40.0
95.04940	29.0
95.08587	22.3
97.02863	5.4
97.06493	11.7
97.10145	1.3
99.04427	10.7
99.08051	12.0
105.07017	15.2
107.04915	4.2
107.08575	64.0
109.02876	1.0
109.06489	11.8
109.10129	24.0
111.08071	17.8
111.11739	1.0
112.11132	1.0
115.07565	3.6
119.08531	20.5
121.06489	8.7
121.10121	59.6
123.08066	12.3
123.11658	7.4
125.09590	4.7
127.03887	2.2
127.07510	10.4
127.11203	1.1
131.08540	11.8
133.10095	26.9
135.08037	10.6
135.11679	32.3
137.09663	2.2
139.11139	5.0
141.09036	1.0
143.08514	1.1
145.04916	1.1
145.10126	5.8
147.11661	18.9
149.09583	7.1
149.13237	36.4
151.11148	10.5
153.09109	9.3
153.12712	4.5
158.10916	4.2
163.11099	1.8
163.14801	20.7
165.12720	22.0
167.10654	1.3
167.14276	8.3
169.12326	1.2
173.13223	20.7
191.14278	61.2
195.13722	1.4
197.15439	1.4
198.01045	1.1
209.15338	100.0
227.12894	3.0
227.16379	64.1
425.14191	5.7
440.30798	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00437	0.6
51.90382	0.6
53.03904	0.8
55.01852	1.3
55.05502	13.6
55.33725	0.6
56.03934	0.7
57.03416	4.6
57.07055	4.4
59.04977	1.8
61.02886	1.4
64.11387	0.7
64.33643	0.7
67.05492	5.9
69.03413	6.3
69.06708	1.0
69.07053	13.7
71.04983	6.8
79.05476	8.9
81.03387	1.6
81.07037	11.4
83.04944	6.4
83.08603	8.6
85.02893	10.0
85.06510	6.8
85.78782	0.7
91.05470	9.0
92.09068	1.3
93.07024	35.9
95.04944	49.7
95.08585	11.6
97.02854	3.1
97.06498	13.2
97.10137	1.7
99.04408	10.5
99.08090	6.7
105.06996	18.2
107.04933	1.0
107.07864	1.4
107.08575	37.1
109.02848	1.1
109.06501	17.1
109.10147	11.0
111.08052	10.0
113.06024	1.1
113.09602	1.1
115.07516	1.8
117.07024	1.4
119.08559	14.5
121.06448	1.4
121.10114	100.0
123.04464	1.0
123.08062	7.5
123.11660	4.1
125.09605	4.2
127.03851	1.0
127.07520	3.3
131.08556	9.5
133.10104	38.5
135.08037	7.9
135.11649	8.7
137.09535	1.0
139.11121	5.9
141.09122	1.0
143.10654	1.1
145.10136	6.1
147.08037	0.8
147.11665	17.4
149.09642	2.9
149.13188	6.0
151.11130	6.7
153.09102	17.9
153.12788	0.9
158.10884	1.7
163.11127	1.1
163.14789	20.4
165.12747	5.5
167.06929	1.0
167.10648	0.8
167.14281	5.9
171.10110	4.6
173.13214	14.5
178.09703	1.2
191.10643	0.8
191.14275	28.6
209.15326	60.5
212.77411	0.9
227.12886	2.0
227.16374	58.7
235.06514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64882	0.5
53.03922	2.3
53.38220	0.5
54.14672	0.5
55.01855	4.7
55.05497	3.7
57.03415	2.7
57.07062	1.3
58.63020	0.4
67.05485	7.3
67.46687	0.5
68.05027	1.1
69.03410	8.0
69.07051	10.4
70.06568	2.6
70.26212	0.5
71.04986	5.6
73.02895	1.0
79.05476	6.5
81.03397	13.9
81.07036	14.1
83.04973	2.5
83.08618	2.2
84.08132	6.2
85.02892	7.1
85.06541	5.7
87.04437	0.6
91.05454	3.7
92.08894	4.2
93.07024	18.4
94.06544	35.8
95.04950	9.3
95.08591	12.6
96.04471	27.8
97.02865	6.2
97.06512	8.9
98.06033	0.7
99.04442	9.2
99.08068	0.9
101.05993	0.7
104.65353	0.6
105.03371	18.1
105.07010	9.7
107.04916	1.2
107.08578	25.2
109.02866	8.0
109.06488	7.8
109.10162	3.8
111.08028	4.3
112.07590	41.7
113.05973	2.9
113.09617	1.3
115.03880	0.8
117.06963	0.8
119.08556	5.0
121.06474	6.0
121.10128	15.2
122.06004	53.3
123.04395	3.6
123.08033	6.8
123.11675	2.2
125.05994	0.9
125.09560	0.7
127.03905	8.5
127.07547	2.5
131.08521	2.4
133.06465	0.6
133.10109	2.2
135.08058	2.7
135.11681	8.2
137.05966	6.8
137.09610	0.9
139.07498	1.4
139.11162	2.0
140.07045	100.0
145.10100	10.3
146.06056	0.8
147.04385	0.9
147.11642	2.2
149.09592	5.4
149.13234	2.2
151.07533	3.9
151.11116	1.0
153.12743	0.6
155.07004	0.8
157.08635	0.7
158.08104	67.9
163.11143	24.1
163.14772	1.0
167.06978	3.1
167.10629	8.0
169.08562	33.8
173.09624	1.0
173.13225	2.5
175.07484	0.8
181.12213	5.2
183.13707	0.7
185.11736	0.9
191.10681	8.0
191.14261	3.9
192.94176	0.5
199.13269	0.6
209.11768	8.0
209.15302	9.0
227.12766	28.8
227.16275	5.1
245.17445	0.7
246.92033	0.6
249.07422	1.0
255.12422	0.6
269.13715	0.9
283.15350	2.9
335.14590	0.8
353.15820	6.9
371.16876	6.9
387.13693	0.7
424.12680	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	424.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94630	1.0
53.03933	7.1
55.01859	14.8
55.05496	6.6
57.03411	7.6
57.07067	2.2
59.04993	1.2
61.02918	1.8
61.84325	1.1
67.05490	15.2
69.03415	19.5
69.07053	25.6
70.06564	7.6
71.04607	2.0
71.04974	29.6
79.05473	17.4
81.03396	32.4
81.07031	34.4
83.04954	6.9
83.08577	4.7
85.02884	25.9
85.06519	16.4
87.00821	2.1
87.04469	1.4
91.05450	14.6
92.09097	5.9
93.07020	38.3
94.06553	10.7
95.04951	16.5
95.08578	27.6
96.04476	7.5
97.02868	11.3
97.06496	20.2
98.06026	10.9
99.04430	81.5
99.08034	1.9
103.05473	4.7
105.03379	34.7
105.07009	26.3
107.04925	2.3
107.08573	71.8
107.09295	2.7
109.02859	16.2
109.06497	19.3
109.10156	7.9
111.08040	7.7
112.07584	17.8
113.05996	6.7
113.09597	1.2
115.03919	2.8
115.07554	1.8
117.07005	2.3
119.04863	8.3
119.08530	11.5
121.06467	14.0
121.10123	31.9
122.06015	19.4
123.04413	2.6
123.08012	13.6
123.11700	9.9
125.05975	2.5
125.09618	4.7
127.03870	15.9
127.07529	5.0
131.04906	6.5
131.08585	5.6
133.06427	2.0
133.10088	7.8
135.08037	5.5
135.11665	16.1
137.02310	13.3
137.09576	2.3
138.05472	10.4
139.05792	2.4
139.11197	8.7
140.07033	57.6
141.12611	1.2
145.04965	1.4
145.10101	22.6
147.04375	5.3
147.08043	1.3
147.11661	8.5
149.05995	8.5
149.09584	14.4
149.13246	9.1
151.07527	15.6
152.06998	2.2
153.09152	2.1
153.12772	1.9
158.08112	27.7
161.05948	8.5
163.07521	1.3
163.11136	55.9
165.12648	1.6
167.07031	8.1
167.10632	18.9
169.08563	100.0
173.09572	2.7
173.13199	2.8
177.05414	1.4
179.06992	2.5
181.08553	2.5
181.12195	16.7
183.13759	1.5
185.11690	5.6
189.09137	2.1
191.06966	2.0
191.10645	17.3
191.14252	6.5
199.13271	1.3
205.08615	5.8
209.08073	6.1
209.11655	16.5
209.15271	12.1
227.10439	2.8
227.12735	82.8
227.16194	16.3
231.13667	1.6
242.42841	1.2
245.13786	2.2
245.17438	4.8
249.07568	1.4
262.10605	15.7
269.13718	1.8
311.14682	1.4
335.14789	5.8
353.15820	16.8
371.17038	14.2
406.11575	4.5
424.12607	37.5
424.17575	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
55.01851	0.7
57.03437	0.5
59.34745	0.3
61.02904	1.5
69.03420	2.3
71.04984	0.3
73.02895	0.5
73.05852	0.3
78.04684	0.6
79.05475	0.3
80.61651	0.3
81.03364	0.6
85.02885	8.9
91.05467	3.7
92.08958	0.4
93.07024	2.7
95.04916	1.2
97.02872	2.9
99.04410	0.4
103.05453	4.9
105.06995	0.5
106.04166	0.6
107.04954	2.7
109.02853	0.6
109.06463	0.4
117.03358	0.6
119.04916	0.6
121.06483	10.9
123.04396	3.2
124.05184	1.3
126.96132	0.3
127.03873	1.5
131.04898	6.1
133.02812	1.2
133.06422	0.7
134.03592	0.7
135.04370	0.5
137.05963	9.0
140.04675	2.2
145.02768	0.5
145.05005	0.4
147.04391	0.7
148.05167	1.7
149.04739	0.5
149.05949	14.2
151.03874	0.4
152.04643	1.6
155.06998	1.5
159.04384	4.1
159.05548	0.4
161.06003	0.4
163.03894	1.2
163.07462	0.3
165.05461	0.6
167.06996	100.0
176.04617	0.5
177.05429	28.3
178.06157	0.6
179.06999	0.3
181.08553	1.4
191.07001	1.3
193.08611	0.6
194.05695	0.7
207.73253	0.3
209.08052	15.4
211.09593	1.0
216.50865	0.3
220.13408	0.3
227.09094	32.3
312.35956	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01837	1.1
55.05498	1.6
56.96545	1.5
57.03420	4.0
61.02908	4.0
67.05520	0.9
69.03407	8.1
69.36127	0.7
70.06570	1.7
71.04967	3.6
72.08109	1.5
73.02893	1.7
76.75394	0.7
79.05490	1.2
81.03387	4.5
82.06572	0.8
83.04963	1.1
83.84023	0.7
84.04494	1.1
84.08132	8.0
85.02887	20.7
86.06070	1.2
86.09687	72.6
87.04447	1.9
88.21935	0.7
91.05454	5.0
92.09087	1.7
93.07015	3.4
95.04941	4.4
97.02865	7.6
98.97578	7.5
100.07574	1.1
102.67754	0.7
103.05430	7.2
107.04935	4.4
109.02837	1.6
110.07148	1.2
113.03448	0.9
116.98549	2.6
119.01871	1.1
119.04885	0.9
121.06480	10.6
123.04434	3.0
124.05071	0.7
127.03892	5.0
128.98517	1.2
130.04909	0.8
130.08632	1.7
131.03374	0.9
131.04942	7.1
132.10179	33.4
133.02840	1.8
135.04343	1.9
135.06775	1.8
136.06128	2.8
136.07587	1.0
137.05943	8.8
140.04652	2.9
145.04880	1.7
146.09207	4.6
146.99600	0.8
147.04375	0.9
148.05208	1.9
149.05969	20.0
151.03882	0.9
152.02251	0.8
158.99638	1.2
159.04390	4.2
161.01160	1.7
161.02965	1.7
163.03906	3.6
165.05513	1.0
167.06998	100.0
177.00766	2.7
177.05432	31.8
181.08626	1.0
194.05673	1.0
202.95259	1.4
209.08057	19.4
215.98383	1.5
216.12357	1.4
219.01622	1.1
227.09106	43.7
237.02757	1.9
244.64836	0.8
423.14359	1.0
424.14993	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65410	0.2
52.33315	0.3
52.41660	0.2
52.75694	0.2
53.03941	0.4
54.81408	0.4
55.01855	1.1
55.51914	0.3
57.03423	1.3
61.02914	1.6
69.03417	3.1
70.36492	0.2
71.01640	0.3
71.33820	0.3
73.02882	0.4
73.97287	0.3
77.03922	0.3
79.05459	0.5
81.03392	0.7
85.02897	10.0
91.05462	3.7
91.47696	0.3
92.09037	0.4
93.07029	2.4
93.07526	0.3
95.04935	1.2
97.02889	2.3
103.05444	5.4
106.04134	0.4
107.04943	2.6
109.06485	0.6
117.03352	0.6
119.04939	0.6
121.06485	10.2
122.03638	0.4
123.04450	2.3
124.05169	0.7
127.03881	1.2
131.04901	7.3
133.02835	1.9
133.06476	0.4
134.03651	0.4
135.04408	0.5
137.05963	8.6
140.04674	2.2
145.02837	0.7
145.04974	1.1
147.04410	0.6
148.05173	2.6
149.05968	15.4
152.04649	0.7
155.07037	1.3
159.04388	4.5
163.03864	0.5
163.07451	0.6
165.05518	2.3
166.06187	0.7
167.07008	100.0
168.07285	0.4
176.04614	0.6
177.05443	33.9
178.06194	0.6
181.08539	1.3
191.07010	1.7
194.05725	1.6
197.08083	1.5
209.08063	18.3
211.09608	1.2
227.09113	34.7
303.10419	0.3
334.81216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17035	0.2
53.03936	4.6
55.01864	0.6
55.05494	1.5
57.03417	1.3
58.82347	0.2
61.02907	0.5
67.05482	1.5
69.03071	0.4
69.03418	8.2
69.07047	1.0
71.04962	1.3
73.02879	0.3
79.05480	4.5
81.03399	18.9
81.07024	2.0
83.04958	0.4
83.08593	0.6
85.02420	0.4
85.02894	8.0
85.06512	0.5
87.00808	0.6
91.05462	2.9
93.07037	1.2
95.04943	4.9
95.08584	1.2
97.02866	9.8
97.06493	0.4
99.04439	3.4
99.08060	0.4
100.07508	0.3
103.03940	0.4
105.03372	100.0
106.03711	0.4
107.08569	1.0
108.04454	1.6
109.02852	9.5
109.06523	0.4
109.10133	1.3
115.05412	0.3
121.10085	0.6
123.04408	7.8
123.11668	0.3
125.09692	0.3
127.03904	6.6
133.10063	0.5
136.03474	0.2
145.04922	1.7
145.10141	0.3
147.04379	0.3
147.11667	0.3
151.11118	0.4
159.02873	0.3
165.05507	0.2
199.82007	0.2
207.06557	0.5
209.15346	0.5
227.20209	0.5
231.06554	1.9
249.07527	19.3
267.08603	6.2
326.69028	0.3
379.51932	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01875	0.2
55.05498	0.6
57.03430	0.4
57.07066	0.1
61.02913	0.5
64.33466	0.1
65.03926	0.7
67.05492	0.2
69.03411	1.1
69.07056	0.7
70.06581	3.5
71.04964	0.3
73.02897	0.1
75.73064	0.1
79.05476	0.5
81.03406	1.4
81.07038	1.2
83.08597	0.2
85.02894	3.1
85.06522	0.2
91.05465	100.0
92.05786	0.3
92.08987	0.8
93.07040	0.6
95.04944	0.3
95.08591	0.6
97.02875	1.4
97.06524	0.2
97.10155	0.1
99.04421	0.2
105.03381	4.3
105.07021	0.2
106.03745	0.1
107.08596	0.3
109.02885	1.1
109.06555	0.2
109.10151	0.5
111.08029	0.2
111.11772	0.1
112.07595	2.8
119.08641	0.2
121.10130	0.5
123.04453	0.8
123.11698	0.5
127.03911	0.8
129.07036	0.1
133.10095	0.2
135.11743	0.1
137.02423	0.2
137.09575	0.1
140.07066	0.6
141.12741	0.5
145.04968	0.3
147.11705	0.2
151.11168	0.1
158.08089	0.1
167.03392	0.1
168.80769	0.1
188.00529	0.1
209.15401	0.2
227.16391	0.3
235.50194	0.1
245.08099	0.9
249.07599	1.0
267.08615	0.3
284.10977	0.1
285.88254	0.1
325.55493	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	424.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01864	0.5
55.05494	1.2
57.03424	0.5
57.07052	0.3
61.02893	0.3
67.05487	6.1
68.05004	0.5
69.03423	2.8
69.07043	3.5
71.04972	1.9
77.86311	0.3
79.05471	3.3
81.03391	3.5
81.07038	3.1
83.04974	0.4
83.08601	0.5
84.08126	5.4
85.02891	3.7
85.06524	1.5
86.09700	0.4
89.41769	0.3
91.05471	0.6
91.68539	0.3
92.08887	2.0
93.07021	4.2
94.06540	39.1
95.04949	5.4
95.08572	3.7
96.04465	29.6
97.02882	2.7
97.06496	0.7
98.06033	0.5
99.04442	2.8
99.08112	1.2
105.03371	17.5
105.07005	1.7
107.04891	0.4
107.08580	6.7
109.02872	1.6
109.06489	0.7
109.10152	3.4
111.08039	0.5
112.07583	38.4
119.08562	1.5
119.61102	0.3
121.10119	7.7
122.06001	54.0
123.04392	3.3
123.08040	0.7
123.11658	0.7
125.09603	0.6
127.03902	0.7
127.07569	0.6
131.08513	1.4
133.10117	1.5
135.08023	4.1
135.11658	2.0
137.09581	0.4
139.11192	0.4
140.07037	100.0
141.07426	0.3
145.10056	0.6
147.04436	0.4
147.11671	1.3
149.09602	0.5
149.13246	3.9
153.09114	0.6
158.08093	68.9
163.11133	1.4
163.14799	1.9
167.07063	0.5
173.13203	1.9
191.14246	3.5
209.15343	13.0
227.12816	0.6
227.16315	2.9
245.17397	0.8
249.07567	0.5
256.69470	0.3
264.52142	0.4
283.15179	0.4
308.06396	0.3
331.48853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22757	0.1
53.03937	0.2
55.01862	0.3
55.05499	0.7
57.03421	0.9
61.02921	1.2
65.03926	0.9
67.05486	0.6
69.03426	2.1
69.07050	0.7
69.11868	0.2
71.04984	0.3
72.08154	0.4
73.02903	0.6
77.29586	0.1
79.05476	0.3
81.03400	1.1
81.07051	0.7
83.04959	0.3
83.08607	0.2
85.02900	6.2
85.06564	0.2
87.04443	0.2
91.05466	100.0
92.05796	0.2
92.09200	0.9
93.07050	0.3
95.04932	0.2
95.08584	0.3
96.05271	0.2
97.02880	2.1
99.04471	0.3
100.07626	0.2
100.11246	0.9
105.03374	1.7
105.07017	0.3
106.03750	0.2
107.04929	0.2
107.08604	0.2
109.02886	1.0
109.06544	0.2
109.10143	0.2
119.08646	0.2
121.10122	0.2
127.03896	1.1
135.04466	0.2
135.08148	0.2
137.02357	0.7
145.04945	1.1
145.10117	0.2
147.04382	0.2
163.03928	0.9
164.04272	0.7
167.03453	0.2
168.13693	0.2
182.15492	0.3
190.12291	0.2
202.12225	0.2
245.07982	1.8
423.23605	2.2
424.11331	0.2
424.23807	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3619
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
50.09023	1.1
53.00303	1.8
53.03936	1.9
55.05504	16.0
56.96569	1.9
57.07063	7.0
67.05489	26.3
69.07057	52.0
79.05481	13.5
81.07039	39.8
83.08600	9.8
91.05446	11.7
92.08995	10.9
92.63938	1.6
93.07023	19.1
95.08582	57.2
97.06512	1.6
97.10140	5.3
98.97582	2.1
105.07021	27.5
107.08577	33.6
109.06528	2.3
109.10143	51.7
109.10849	2.4
111.11705	1.7
116.98661	3.0
117.07014	7.9
119.08556	32.2
121.06473	1.4
121.10122	26.6
122.70782	1.5
123.08080	1.8
123.11655	18.4
129.06996	1.9
131.08508	14.8
133.10092	18.4
134.99635	1.4
135.08057	5.3
135.11684	17.0
137.13235	5.8
143.08551	9.3
145.10112	22.5
147.08023	2.7
147.11681	20.2
149.13261	10.2
151.14693	1.4
155.08542	8.5
156.09373	3.0
157.10081	20.9
158.10905	1.8
159.11661	21.8
161.09619	2.6
161.13229	11.7
166.07880	1.7
169.10094	13.5
171.11638	24.7
173.09720	1.6
173.13235	13.9
175.14767	10.3
177.16399	2.3
178.94743	1.5
182.10991	2.0
183.11621	12.3
185.13176	11.8
187.14796	13.9
189.16370	8.5
191.17926	2.3
195.11707	2.8
197.13211	11.6
199.14856	9.0
201.16376	10.2
203.17944	2.4
209.13275	5.6
210.14027	3.0
211.14893	9.4
213.16391	6.4
215.17973	3.1
223.14868	2.2
224.15701	3.0
225.16423	7.7
227.17926	3.4
229.03497	1.7
239.17902	15.1
241.19411	2.4
253.19450	8.8
255.21140	2.7
257.18939	6.1
267.21063	2.8
269.22433	1.4
271.20529	7.6
281.22617	3.1
285.21951	2.4
295.24130	2.4
299.23648	2.1
323.27173	2.2
336.26315	1.5
385.46960	1.4
405.35117	21.1
418.01581	1.7
423.36200	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	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.6
57.07058	8.1
60.43658	1.5
67.05495	35.7
69.06712	3.3
69.07055	58.0
69.86154	1.4
79.05470	14.8
81.06593	3.1
81.07040	59.1
83.08601	11.0
85.06487	1.7
91.05460	12.8
92.08784	9.2
93.07030	35.1
95.04958	2.6
95.08590	61.8
97.10123	2.3
105.07018	29.7
105.74297	1.7
107.07848	3.1
107.08564	43.2
109.06505	3.1
109.10149	56.6
117.07011	7.5
117.22553	1.7
119.08574	41.4
121.10130	24.1
123.08015	2.2
123.11702	19.0
129.06952	2.8
131.08554	17.0
133.10107	24.6
135.11646	15.1
137.13266	3.7
142.07813	3.2
143.08505	13.5
145.10112	33.2
147.11688	17.7
149.09663	2.7
149.13266	7.9
155.08556	4.4
156.09381	3.8
157.10115	16.5
159.11691	22.6
161.09576	2.7
161.13240	14.6
163.14848	3.1
169.10072	15.9
171.11670	32.3
173.13245	19.3
175.14824	3.9
177.16402	2.2
181.10204	2.9
183.11688	11.8
184.12329	3.3
185.13200	14.5
187.14775	14.3
189.16380	12.6
191.18030	2.6
195.11667	3.8
197.13216	14.0
199.14876	8.9
201.16328	13.2
203.17937	2.5
209.13284	10.9
210.14244	2.1
211.14864	8.8
213.16388	9.3
215.18024	4.6
224.15613	3.6
225.16434	9.6
227.17995	9.3
239.17897	20.3
241.19489	2.2
251.17970	2.0
253.19510	10.9
257.18973	8.4
267.21063	3.2
271.20493	4.5
295.24310	2.7
299.23837	2.1
405.35165	20.8
423.27554	3.7
423.36252	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	423.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.05497	22.4
57.07059	6.5
65.03931	1.7
67.05486	41.8
69.07045	51.6
69.07404	2.7
71.08601	1.2
78.05550	1.0
79.05463	25.0
81.07030	84.7
83.08585	17.0
91.05453	23.7
93.07018	45.0
95.04927	5.0
95.08573	99.5
97.10140	2.4
105.03370	1.3
105.07004	74.2
107.08568	78.3
109.06500	2.0
109.09379	2.5
109.10130	76.0
111.08096	1.6
111.11723	3.0
117.07007	6.9
119.08548	100.0
121.10107	42.4
123.08003	1.3
123.11669	21.7
129.06987	2.2
131.08542	22.3
131.60023	1.4
133.10092	47.4
135.08049	2.9
135.11658	22.5
137.09650	1.5
137.13228	8.3
142.07712	2.0
143.08554	12.7
144.09367	2.5
145.10097	47.9
147.11656	56.2
149.02328	5.0
149.13237	9.8
151.14818	1.6
155.08563	5.8
156.09297	5.0
157.10110	16.3
158.10919	1.4
159.08063	1.7
159.11658	41.6
160.12402	2.1
161.09540	1.6
161.13220	26.3
163.14804	6.0
169.10075	10.9
170.10867	2.7
171.11652	21.1
172.12410	1.8
173.13191	23.6
173.59154	1.3
175.14799	17.6
177.16345	2.4
183.11613	8.8
184.12556	2.6
185.13200	15.5
186.14047	1.5
187.11118	1.6
187.14761	25.5
189.16338	54.0
191.17906	2.3
195.11670	4.9
196.12473	1.3
197.13197	10.4
199.14714	12.3
201.16348	27.5
203.14291	1.6
203.17958	11.5
205.15952	2.3
207.17459	9.1
209.13234	2.0
211.14761	8.6
213.16350	8.2
215.17894	13.5
217.15797	2.1
217.19542	6.0
225.16364	5.2
227.17940	5.9
229.19287	1.9
239.17863	11.4
241.19524	5.4
243.21071	2.8
243.50803	1.3
253.19527	6.5
255.21109	6.8
257.19022	4.8
267.21039	6.6
271.20636	6.7
281.22598	2.6
283.24051	1.5
285.22028	4.7
293.22455	1.4
295.24155	4.5
297.25732	5.3
299.23654	1.9
313.25208	1.5
321.44855	1.2
323.27271	8.2
341.28409	2.9
349.28854	2.5
363.29990	1.6
403.87558	1.3
405.35196	26.0
423.36157	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	25.0
55.33360	1.7
56.53696	1.6
56.65941	1.5
57.07054	9.4
67.05488	45.8
68.61652	1.8
69.07049	66.6
71.08653	1.9
79.05473	29.8
81.07034	81.0
83.08592	13.3
91.05455	18.4
92.08994	15.8
93.07022	49.3
95.08002	3.9
95.08582	92.4
97.10165	3.2
105.07010	74.9
107.08569	75.5
109.06497	2.8
109.10135	84.1
111.08105	3.2
117.06973	8.6
119.08555	94.5
119.75468	2.0
121.10117	51.1
123.11681	16.7
128.06271	2.2
129.06999	6.8
131.08537	30.0
133.10110	61.7
135.08018	2.8
135.11650	26.1
137.13260	8.2
142.07726	3.2
143.08542	12.7
144.09334	2.8
145.10086	45.7
147.11676	45.7
149.13242	13.4
155.08543	10.5
156.09328	7.3
157.10085	20.1
158.10913	2.9
159.11670	46.4
161.13220	25.1
163.14769	4.5
169.10056	13.8
170.10852	3.9
171.11632	41.4
172.12479	2.5
173.13188	30.8
175.14819	15.6
181.10088	2.6
182.10931	1.8
183.11681	15.5
185.13194	28.6
187.14786	29.8
189.08305	2.0
189.16353	40.1
191.17955	2.7
195.11859	2.3
196.12553	2.6
197.13242	10.5
199.14754	16.0
201.16385	22.4
203.17975	8.6
207.17480	2.3
209.13239	6.9
210.05165	2.0
211.14851	9.2
213.16377	9.0
215.17993	9.7
217.19539	7.3
223.14702	2.8
224.15562	4.1
225.16391	8.6
227.17912	8.5
229.19482	2.0
237.16351	2.8
239.17902	22.3
241.19571	8.4
251.17882	2.2
253.19426	11.9
255.21103	4.3
257.18927	9.3
263.04083	2.0
267.20947	3.1
269.22623	3.6
271.20517	4.3
279.21051	2.3
295.24258	2.7
297.25894	3.7
299.23810	1.9
323.27234	2.6
405.34943	28.4
423.36163	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	423.287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33834	1.4
55.05499	2.8
57.07062	2.5
67.05488	3.5
69.07059	3.4
79.05471	4.2
81.07056	15.9
83.08595	2.8
83.31715	1.6
85.51383	1.6
89.06016	2.0
91.05466	8.0
92.08791	3.7
92.09288	2.0
93.07015	13.4
95.04956	2.1
95.08584	11.7
97.06561	2.1
105.07007	14.2
107.08572	9.1
109.06495	3.2
109.10152	3.3
117.07028	2.1
119.08544	11.9
121.10120	4.3
123.07987	3.4
133.10089	3.4
135.08051	3.0
137.09523	2.1
140.41937	2.1
145.10052	6.3
147.07959	2.1
155.08531	1.9
156.85631	1.8
157.10078	3.9
165.09055	8.8
201.20964	1.8
221.15326	8.7
360.79471	2.0
363.26498	100.0
363.31042	3.7
423.28510	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88285	2.9
53.03948	3.3
55.01866	5.2
55.05505	34.3
57.03416	4.2
57.07048	4.8
59.33424	2.8
65.03903	3.5
66.66787	3.5
67.05489	82.2
69.03407	8.5
69.07047	44.9
70.60162	3.4
71.04977	5.0
79.05470	86.8
80.36765	2.9
81.03392	14.5
81.07038	80.1
83.04958	4.6
83.08615	15.9
91.05457	43.8
91.54397	3.7
92.09048	4.0
93.07024	100.0
95.04960	14.3
95.08582	81.4
97.02872	64.3
99.04428	8.7
105.07011	64.9
107.08562	67.6
109.06506	3.8
109.10145	43.2
117.07008	20.9
119.08556	53.2
121.10107	50.3
123.11704	7.9
123.12586	3.4
127.03913	7.6
127.60147	3.4
129.06964	4.9
131.08539	28.3
133.10063	31.4
135.11671	20.9
137.13223	3.9
143.08560	7.4
145.10101	36.9
147.11658	26.6
149.02274	12.8
149.13251	8.5
157.10085	7.5
159.11682	24.6
161.13239	8.8
163.14725	5.3
171.11650	8.3
173.13216	8.6
175.14833	7.1
183.11642	7.1
185.13176	6.7
187.14793	4.6
189.16490	5.7
195.11708	3.7
201.16383	3.5
261.22113	18.5
279.60004	3.9
363.97055	3.6
405.35168	8.4
423.26978	5.4
423.36484	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.6
56.96556	1.5
57.07063	1.9
64.53485	1.0
67.05499	5.1
69.07046	6.1
71.04980	5.5
71.43494	0.9
75.39430	0.9
75.51434	1.0
79.05461	4.9
81.07041	8.6
82.06552	1.6
83.04971	1.7
83.08621	4.6
83.93230	1.1
85.06522	2.4
88.81084	1.1
91.05464	2.5
93.07013	2.6
95.08605	9.2
97.10168	1.2
100.11242	14.8
101.73842	1.1
105.07005	5.1
107.08588	5.3
109.10152	4.4
110.06053	1.1
111.04421	1.2
117.07025	1.4
117.21632	1.4
119.08594	4.5
121.10152	1.5
128.07092	1.5
131.08566	1.3
133.10172	1.4
145.10101	5.4
157.59651	1.1
161.13177	1.2
182.15422	6.0
187.14766	1.7
201.03699	1.4
203.05243	85.4
210.14928	1.8
218.52258	1.1
266.24786	1.9
317.51578	1.2
352.66190	1.1
359.79404	2.6
389.57248	1.1
423.23462	100.0
423.32715	3.2
423.82675	1.6
424.23779	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2348
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
55.05502	0.5
58.35583	0.3
61.78249	0.3
67.05482	1.8
69.03396	0.4
69.07047	1.6
71.04973	0.4
79.05499	0.4
81.07038	0.8
81.45101	0.3
86.43793	0.4
92.09135	1.3
93.07026	0.6
95.04923	0.7
95.08566	1.5
97.02914	0.4
97.10152	0.4
105.03368	6.8
105.06979	0.7
106.03712	0.6
107.08543	0.7
109.10149	0.7
111.65904	0.3
119.08534	0.6
121.10159	0.5
133.10123	0.7
201.03627	0.4
203.05170	0.4
250.07977	0.5
423.23425	100.0
424.23883	1.5
447.31317	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	423.2348
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
50.43395	0.4
53.36590	0.4
54.26543	0.4
54.81770	0.4
65.37447	0.4
67.05480	0.5
69.03425	0.4
69.07050	2.0
72.59098	0.5
81.07031	2.4
85.02893	0.5
91.05483	0.7
92.09017	4.0
93.07047	0.5
95.04898	0.6
95.08604	1.1
102.43000	0.5
105.03383	1.8
105.07014	2.8
107.08559	0.7
109.10145	0.9
117.03372	2.0
117.47053	0.5
119.08566	3.0
121.75361	0.5
123.11712	0.5
127.03863	1.0
133.10201	0.6
145.02786	5.4
147.11688	1.1
149.06033	0.6
177.05434	8.1
201.03751	0.6
203.05243	12.0
271.06146	0.9
341.21457	0.6
410.46906	0.5
423.23453	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	423.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01859	10.2
55.05501	31.0
57.03429	19.2
59.04980	2.1
59.06089	2.2
59.81120	1.7
61.02908	15.3
63.93480	1.8
67.05479	19.4
69.03065	2.8
69.03416	50.0
69.07056	11.6
70.06573	8.5
71.04651	1.5
71.04972	16.2
71.06081	1.8
71.14776	1.6
72.08139	8.8
72.19115	1.6
73.02892	7.7
74.06068	2.1
79.04104	1.7
79.05479	12.7
79.29144	1.7
81.03393	100.0
81.07043	22.9
83.04968	36.8
83.08599	3.9
84.08163	4.5
85.02882	83.0
85.03363	3.9
85.06532	25.7
86.09698	2.5
87.04443	18.8
91.05450	16.7
92.08897	4.3
93.07021	46.2
95.04942	76.9
95.08589	30.8
97.02882	30.8
97.06516	11.1
98.97575	2.6
99.04433	22.7
99.08061	3.0
100.04800	1.9
101.06010	2.6
105.07014	26.4
106.07331	3.4
107.04921	4.1
107.08566	36.5
108.08925	2.3
109.02850	13.6
109.06495	16.8
109.10141	32.5
111.04403	1.8
111.08072	10.8
112.07577	2.7
113.05981	8.5
113.09624	95.7
113.10393	4.0
116.98605	2.0
117.06977	13.8
119.04874	2.6
119.08537	26.8
120.08058	11.9
120.08905	7.2
121.06481	32.0
121.10112	24.5
122.10503	2.9
123.04362	2.5
123.08044	12.8
125.09589	24.9
127.03899	17.4
129.07022	2.4
129.09068	3.7
131.08521	14.4
131.39095	2.6
132.08984	2.0
133.10052	15.1
134.10394	2.4
135.08049	20.0
135.11664	19.4
137.09528	13.0
139.07547	3.7
139.11163	7.0
141.09163	1.9
143.08574	2.6
145.04915	8.4
145.10103	7.1
146.10490	2.5
147.08028	2.9
147.11667	7.0
149.09595	17.3
149.13251	20.0
149.84436	2.1
151.07529	10.1
151.11186	8.9
152.07848	2.2
159.11653	27.6
160.11977	2.2
161.13251	3.1
162.13490	2.1
163.11189	8.9
164.11520	2.9
165.09038	2.7
167.07027	12.4
167.10648	4.0
168.07376	3.3
168.10957	2.1
169.07524	2.4
169.12228	3.5
173.59656	2.0
177.12735	26.2
183.13773	7.0
189.12724	13.3
195.13771	94.7
207.13811	16.0
208.14142	4.3
213.14780	27.6
225.14810	45.1
226.15100	9.6
231.15901	35.4
243.12082	2.8
243.15865	27.7
244.16225	3.1
261.16919	70.5
294.93057	2.1
299.34091	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15393	0.5
53.03944	2.7
54.88713	0.5
55.01855	1.5
55.05499	6.4
57.03419	2.9
57.30509	0.6
60.92783	0.6
61.02914	5.2
64.33579	0.6
67.05491	3.8
69.03415	9.4
69.07057	6.8
71.04974	8.7
73.02902	1.0
78.04678	3.2
79.05473	8.2
80.05798	1.0
81.03398	11.5
81.07035	8.0
82.03745	0.7
83.04951	5.3
83.08597	2.9
85.02890	14.7
85.06528	3.7
86.03228	2.6
87.04454	13.1
91.05457	7.1
92.08650	0.8
92.09147	2.7
93.07027	6.8
95.04943	9.7
95.08591	8.5
96.08944	0.7
97.02887	5.4
97.06497	3.7
97.10161	1.6
98.06017	4.3
99.04433	23.3
99.08065	1.1
100.04778	1.1
101.06001	3.0
103.05450	6.1
105.03371	20.7
105.04507	0.8
105.06996	16.7
106.03627	9.5
106.07338	1.3
107.03905	1.3
107.04932	9.1
107.08573	11.8
108.04147	0.8
108.05244	0.8
109.02863	3.6
109.06497	13.0
109.10127	4.0
111.08044	3.0
113.09665	1.3
115.05425	2.8
115.07529	3.9
116.06243	0.8
116.17941	0.6
117.07002	3.0
119.04877	0.8
119.08534	9.1
120.08883	1.2
121.06498	3.1
121.10144	5.6
122.06074	0.7
122.10475	1.0
123.04417	12.7
123.08044	51.4
123.11689	3.9
124.03938	0.9
124.05177	3.6
124.08367	1.0
125.05959	3.0
125.06951	0.7
125.09621	7.3
126.06270	1.0
127.03893	2.8
129.07011	1.7
131.04892	8.0
131.08543	4.1
133.06442	6.9
133.10081	3.2
135.08014	3.0
135.11632	0.9
136.04988	0.9
137.05943	4.5
137.09572	1.3
138.06384	0.8
138.09981	0.9
139.11121	1.6
140.07066	2.7
141.06912	0.8
141.09096	0.8
143.10609	1.1
144.05708	1.4
145.04887	0.8
145.06499	3.1
145.10130	3.4
147.04358	1.3
147.11670	9.8
148.11986	1.4
149.05952	0.8
149.09583	4.4
151.03903	1.1
151.07520	6.8
152.04646	3.9
153.05453	4.3
154.05814	0.9
155.10622	1.0
156.06459	0.8
156.09360	0.8
158.08073	3.9
158.64952	0.7
159.07985	1.2
161.05948	6.7
161.13257	2.8
163.07477	8.1
163.11171	0.9
164.11435	1.0
165.12689	3.4
167.06998	100.0
168.07596	8.2
169.08510	4.9
169.12120	0.8
171.11650	5.0
173.09550	1.0
175.07503	1.3
177.12732	1.0
181.04848	0.7
181.08572	3.8
183.13834	1.4
187.07570	2.8
189.12682	9.9
190.12944	1.1
192.07832	0.8
193.08577	13.0
201.09076	1.2
207.13765	10.7
208.14090	3.1
209.15305	1.0
213.14682	0.9
219.10089	1.5
225.14838	10.8
225.18388	1.2
226.15082	5.0
233.11798	0.7
243.13408	0.8
243.15851	22.9
244.16174	3.4
252.08295	1.1
268.08768	1.5
269.09061	1.4
270.09235	1.6
295.13367	0.8
355.15329	2.8
377.32678	0.9
423.12256	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	423.1253
Annotation	SC-51089
Peak:m/z	Relative Intensity
51.40428	0.5
66.49959	0.4
69.03407	0.6
69.07048	0.5
71.04964	0.9
77.30884	0.5
78.66066	0.5
79.05466	0.8
81.07034	0.9
85.02885	0.8
87.19747	0.4
91.05470	0.7
92.08794	1.0
92.09289	0.8
93.06997	0.9
99.04427	1.0
105.03368	6.1
106.03720	3.3
107.08595	0.9
107.13714	0.5
109.06493	0.7
119.08542	0.7
119.99786	0.4
121.10110	1.0
123.04377	0.5
123.08029	0.6
133.10049	0.5
136.56693	0.5
139.11160	0.5
147.11725	0.5
163.11122	0.5
177.12701	0.6
189.12744	0.5
196.97435	0.5
207.13678	1.0
225.14775	1.0
269.09076	0.7
349.08862	44.1
403.41989	0.5
423.12531	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	423.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
61.02947	0.4
64.33872	0.2
67.01848	4.0
67.05466	0.3
67.55522	0.2
69.03434	0.3
69.07077	0.4
71.04972	0.4
71.47041	0.2
81.03404	2.9
85.02896	1.0
89.03900	6.1
91.05463	0.5
92.08984	1.0
93.07001	0.4
95.04929	0.5
95.08582	0.3
99.04417	1.8
100.21688	0.2
105.03358	3.4
106.04079	0.3
109.02859	3.9
117.03356	28.8
119.08568	0.3
121.06450	0.4
124.12004	0.3
127.03878	9.9
134.03572	1.7
135.04381	1.8
136.84363	0.3
145.02823	77.7
149.05951	10.3
163.03839	0.5
169.04924	1.6
177.05424	100.0
186.05452	0.7
195.06511	0.3
212.47517	0.3
243.06422	0.4
285.07379	0.6
285.10037	0.4
303.08542	7.6
381.73889	0.3
423.23749	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.8
57.03436	3.6
57.07054	0.4
61.02921	0.5
67.05490	0.9
69.03410	1.9
69.07063	5.4
71.04978	2.0
79.05460	2.6
81.03384	0.7
81.07019	4.2
83.04960	0.5
83.08583	0.5
85.02866	1.6
85.06524	1.0
91.05471	1.1
92.09128	0.8
93.07021	2.9
94.06548	0.4
95.04959	1.1
95.08599	2.6
97.02892	0.8
97.06504	1.1
98.69616	0.4
99.04436	2.6
101.05978	0.8
102.90184	0.5
105.03390	3.7
105.06984	0.8
107.08604	2.5
109.06501	1.1
110.06034	4.1
111.08074	1.8
115.07520	0.6
119.08563	1.7
121.10142	3.7
121.10909	0.5
123.08019	0.9
124.11255	0.9
125.09641	0.9
127.07457	0.6
133.10118	1.0
136.07539	0.7
138.05486	32.6
139.05849	10.0
139.11177	5.8
140.07040	0.7
140.11502	2.3
147.11707	1.1
149.09566	0.6
156.06540	7.5
157.06902	3.1
163.11116	0.6
170.11731	0.9
170.24802	0.5
171.11806	0.5
184.41013	0.6
189.12643	0.7
199.13324	3.0
207.13771	0.8
225.14853	1.1
226.15045	0.6
310.46939	0.5
328.76190	0.6
333.09360	0.6
363.10364	2.4
405.06516	0.8
405.11496	14.1
423.12537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10490	3.1
53.03945	4.8
54.81924	4.1
55.05503	7.5
57.07079	5.7
59.88921	3.9
67.05497	16.6
69.07063	7.6
75.82747	4.5
79.05476	20.8
81.07038	65.7
82.55054	3.8
85.06527	19.5
91.05457	28.2
93.06469	6.0
93.07020	62.8
95.04949	7.4
95.08580	32.6
100.11819	3.7
105.07000	100.0
107.08572	32.8
109.10175	18.0
119.08559	41.9
121.10140	9.2
131.08554	6.2
133.10077	28.7
135.11693	7.1
137.09697	4.6
143.17552	4.2
145.10097	10.1
157.10081	5.4
159.11711	18.2
161.13269	21.5
215.17749	4.5
237.95116	4.1
277.92239	4.5
309.34027	5.4
329.89297	3.9
374.90552	3.8
439.10953	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	422.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42715	1.3
53.03930	8.2
55.01864	7.0
55.05503	17.9
59.39465	1.5
61.51840	1.4
64.51913	2.2
65.43715	1.4
66.46986	1.6
67.05488	21.8
69.07054	12.9
71.04973	1.8
77.38620	1.6
79.05473	23.5
81.06596	2.9
81.07036	58.6
83.04977	2.3
83.08601	3.8
84.78006	1.5
85.06526	26.9
91.05454	52.5
93.07015	100.0
95.04919	14.9
95.08584	33.6
97.06509	2.8
97.10145	1.7
105.07008	83.7
107.08578	33.3
109.06486	3.0
109.10150	24.0
111.08038	2.6
113.09647	3.0
117.07008	8.4
119.08549	49.6
119.12108	1.7
121.10107	27.1
123.08057	3.2
123.11691	2.9
125.27026	1.6
129.06950	8.6
131.08495	19.3
133.10095	29.7
135.11656	9.1
135.58484	1.9
137.09621	2.7
142.07788	3.2
143.08507	6.4
145.10106	25.2
147.11656	18.1
149.13243	2.6
151.11177	2.6
155.08516	3.0
156.09319	2.2
157.10075	13.6
159.11662	29.6
161.13246	25.7
169.10046	2.1
171.11604	4.2
173.13263	12.2
175.14835	2.1
179.14273	2.0
182.46436	1.7
185.13182	4.2
187.14842	6.7
199.14767	2.3
201.16362	9.5
207.11754	2.5
213.16469	2.6
227.17960	2.4
256.68649	1.9
287.16745	2.0
353.28113	3.4
422.35776	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.3
55.05507	38.7
57.07053	7.6
64.86509	4.3
67.05489	55.4
69.07055	19.6
71.04929	5.5
71.08615	5.7
78.48769	5.0
79.05471	43.1
81.07035	87.4
83.04957	52.5
85.02880	5.0
85.06525	27.6
89.06007	5.5
91.05461	59.7
92.09059	4.8
92.64585	4.8
93.07019	85.6
95.04948	22.9
95.08592	62.4
97.00908	4.6
97.06503	6.2
99.55799	5.9
101.05968	21.8
105.07007	100.0
107.08588	47.3
109.06508	8.2
109.10122	50.2
117.07022	10.2
119.08556	85.0
121.10142	44.6
123.11669	5.6
129.01820	10.4
129.74730	4.7
131.08525	30.4
133.10127	37.3
135.11670	10.5
143.08537	10.6
145.10088	33.5
147.11653	20.3
149.02306	8.5
157.10127	7.6
159.11682	29.4
161.13245	25.7
163.14766	6.5
171.11594	5.5
183.11678	7.2
185.13177	6.3
201.16406	7.9
313.72540	4.8
353.28152	6.0
422.35355	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	422.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05813	3.8
54.22651	3.6
55.05506	50.7
57.03419	4.1
57.07081	5.9
58.56551	4.4
67.05488	29.5
68.07035	3.8
69.03415	5.8
69.07047	11.2
71.04975	4.9
76.56317	5.1
79.05476	38.4
81.07030	95.9
83.04961	51.3
83.08568	8.6
83.36197	4.6
85.06510	28.9
85.84484	4.4
91.05463	54.4
92.08874	23.4
93.07030	100.0
95.04926	9.4
95.08563	54.4
97.42278	5.3
100.54465	5.0
101.06024	6.0
105.07016	90.4
107.08564	64.2
109.06435	6.5
109.10151	33.0
117.07003	10.4
119.08566	63.6
121.10136	37.5
123.11668	4.4
131.08536	27.5
133.10133	38.5
135.08054	5.6
135.11676	19.1
136.30431	4.6
142.07776	6.0
143.08524	6.1
145.10103	26.5
147.11644	11.1
149.13206	5.0
157.10060	5.3
159.11646	24.0
161.13190	11.3
165.09093	23.7
171.11700	9.7
173.13228	9.5
185.13280	6.8
213.57268	4.6
272.88370	5.9
375.95285	4.9
385.41104	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	422.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43464	0.7
55.05494	1.6
57.03427	72.7
57.07054	1.9
64.50613	0.8
67.05487	2.1
69.07070	0.8
71.08610	4.3
79.05425	1.4
81.07019	2.1
83.08598	1.1
85.24604	0.9
92.08696	1.6
92.09212	1.7
93.07005	1.4
95.08595	3.1
105.06995	0.9
107.08552	1.5
108.43945	0.8
109.10133	2.1
111.08060	0.8
119.07689	0.8
119.08570	1.2
127.11165	100.0
149.02322	16.3
371.78497	1.0
421.36047	1.4
422.36749	2.7
447.33160	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57083	0.4
54.16552	0.4
55.01857	0.8
55.05501	0.9
57.03416	1.8
61.02905	0.5
64.33597	0.6
65.27927	0.6
67.05489	2.2
69.03418	2.3
69.07055	1.0
71.04980	5.3
71.27325	0.4
77.06143	0.5
79.05476	2.7
81.03395	1.0
81.07024	4.7
83.04958	2.7
83.08592	2.5
85.02892	8.9
85.06513	1.0
87.04434	4.8
87.99004	0.5
90.26518	0.4
91.05456	2.4
92.08990	2.1
93.07018	3.0
95.04950	2.7
95.08589	3.9
95.65046	0.4
97.02862	2.5
97.06484	0.9
97.87631	0.4
99.04432	18.0
103.00038	0.5
105.03365	0.6
105.07021	2.0
107.08578	38.7
109.06495	7.2
109.10155	3.4
110.12604	0.5
111.08074	4.4
113.09631	0.6
119.08533	1.1
121.10115	7.8
123.08047	100.0
123.11665	6.5
125.05962	3.1
125.09607	22.4
125.10529	0.7
127.03867	0.6
127.11184	2.6
131.08549	2.9
137.05896	0.5
137.09604	0.9
138.05525	4.0
139.11140	4.1
141.09019	0.7
145.10098	0.5
147.11674	3.0
149.09599	38.2
151.07521	4.0
153.36273	0.5
156.06549	0.6
163.11182	0.7
165.12706	4.0
167.10645	10.3
169.12199	0.8
171.11723	0.5
183.13800	5.7
189.12694	7.2
206.43597	0.5
207.13782	7.7
225.14822	72.2
243.15852	6.5
270.20526	0.6
410.87006	0.5
411.58017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01855	1.2
55.05502	10.3
57.03433	1.2
57.07052	0.7
59.04985	0.3
59.87733	0.2
60.82281	0.1
61.02892	0.7
65.03925	0.2
65.84431	0.1
67.05492	3.6
69.03413	3.1
69.07048	3.3
70.06571	0.3
71.04974	1.9
72.08129	0.3
73.02911	0.3
79.05475	2.9
81.03401	2.4
81.07037	8.8
82.06563	0.4
83.04961	14.0
83.08611	2.7
85.02886	6.8
85.06527	1.4
86.09685	0.6
87.04450	0.2
91.03944	0.2
91.05458	3.0
92.09171	0.3
93.07020	10.2
95.04950	2.3
95.08582	6.3
97.02876	2.0
97.06505	2.9
97.10140	1.4
99.04435	3.5
99.08076	1.1
101.05991	0.3
105.03381	4.5
105.04468	0.2
105.07011	7.4
106.03699	0.7
107.04913	0.7
107.07985	0.2
107.08572	8.3
109.02852	1.4
109.06501	2.9
109.10139	9.7
110.06020	6.3
110.06777	0.2
111.04359	0.2
111.08070	2.1
113.05970	0.2
113.09596	0.4
117.06999	0.7
119.08559	7.6
121.06505	1.3
121.10115	6.5
123.04393	0.3
123.08054	3.7
123.11669	3.8
125.05995	0.3
125.09599	2.4
127.03894	1.2
127.07520	0.7
129.05443	0.2
129.07022	0.3
131.08536	1.6
133.06450	0.3
133.10107	4.9
135.08043	0.3
135.11665	2.2
135.85612	0.2
137.05901	0.3
137.09595	1.6
137.13242	0.7
138.05476	100.0
139.05821	0.8
139.07484	0.4
139.11122	0.3
141.09079	1.0
143.08546	0.4
144.09325	0.2
145.04965	0.3
145.10139	1.8
147.07999	0.8
147.11642	3.3
149.09601	2.4
149.13228	1.7
151.07512	1.1
151.09937	0.4
151.11153	10.2
153.09048	0.4
155.10643	0.7
156.06526	23.9
156.09268	0.8
159.11662	1.3
161.09560	0.8
161.13223	5.2
163.11157	3.4
165.09064	0.4
165.12698	0.9
167.10651	0.9
167.14281	4.5
169.08563	0.2
171.11642	1.6
177.12715	4.4
179.14261	2.3
181.12201	0.3
189.12691	3.7
191.14238	0.2
195.13771	1.0
207.10208	0.2
207.13773	7.1
220.42595	0.2
225.14812	36.9
243.15898	1.9
243.35809	0.2
251.27220	0.2
422.14383	1.6
423.07184	0.3
423.12561	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	422.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22567	1.3
51.82161	1.5
53.03940	1.5
55.01869	1.6
55.05509	11.4
55.69385	1.3
57.03415	6.2
57.07062	3.5
59.04983	1.8
61.02909	2.3
67.05493	12.5
69.03412	15.0
69.07050	14.6
71.01331	1.4
71.04972	24.4
71.62253	1.3
72.05286	1.5
73.81570	1.4
76.95582	1.3
79.05457	11.4
80.05021	1.8
81.03396	9.9
81.07045	16.8
83.04976	11.7
83.08599	2.8
85.02882	33.3
85.06529	13.7
87.04444	3.1
91.05464	13.7
92.09057	6.1
93.07018	29.4
95.04947	20.4
95.08587	29.2
96.70157	1.5
97.02870	9.7
97.06511	8.4
99.04431	60.2
105.03410	1.5
105.07009	34.1
106.02882	2.9
107.08576	59.9
108.72960	1.4
109.02903	2.6
109.06503	30.8
109.10129	26.4
111.08055	2.1
112.07600	2.1
113.05981	6.0
113.09623	3.0
117.07024	7.8
119.04928	2.7
119.08563	47.2
121.06467	3.1
121.10116	52.3
123.08041	58.2
123.11662	12.4
124.03935	24.4
125.05972	3.3
125.09607	9.2
127.03867	1.9
129.06966	1.7
130.07672	1.8
131.08549	12.9
133.06456	2.7
133.10117	16.4
135.08049	8.2
135.11659	8.4
137.02394	2.0
137.09601	23.5
137.13234	2.3
139.07603	1.8
139.11151	2.9
143.08586	2.2
145.04987	2.6
145.10078	13.5
147.08037	3.4
147.11676	12.0
149.09592	46.8
149.13274	6.6
151.07518	9.0
151.11148	3.1
153.09135	1.9
155.10699	10.9
156.09337	3.3
159.11662	19.3
161.09488	2.2
161.13228	17.7
163.09914	1.7
163.11058	10.8
165.09125	3.1
165.12709	11.5
167.10634	81.8
171.11684	8.6
177.12706	23.3
179.14211	5.3
181.12207	6.9
183.13776	17.6
189.12691	19.0
195.13770	30.0
202.34315	1.5
207.13750	43.9
210.17041	1.5
212.68414	1.5
213.14854	2.1
217.19608	1.5
225.11383	2.7
225.14812	100.0
243.15851	37.0
268.08099	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.01860	1.3
55.05498	11.0
57.03423	7.3
57.07061	2.5
59.04970	1.5
61.02911	6.2
61.09203	1.3
67.05492	14.5
69.03407	16.7
69.07045	10.6
71.04971	24.7
73.02885	1.6
79.05476	10.0
79.86333	1.3
81.03412	5.4
81.07033	12.1
83.04971	9.6
83.08592	3.0
85.02885	27.8
85.06522	9.1
87.04456	1.5
91.05454	11.9
92.08970	6.1
93.07025	26.4
95.04936	20.9
95.08586	25.9
97.02869	9.0
97.06486	10.7
97.10065	1.7
99.04430	61.4
105.07004	34.4
107.08570	62.1
107.39135	1.3
109.02855	2.5
109.06499	27.2
109.10152	24.5
111.08059	7.5
113.05958	5.4
113.09600	2.1
117.07004	2.7
119.08547	42.5
121.06479	3.0
121.10121	48.5
123.08038	63.5
123.08913	2.3
123.11688	16.0
124.03915	17.4
125.05926	5.0
125.09608	10.6
127.03873	3.2
127.07580	1.3
129.06953	1.9
130.07721	2.0
131.08562	13.0
133.10098	15.1
135.08020	8.3
135.11678	9.0
137.09576	22.9
137.13182	1.9
139.11205	1.8
143.08536	2.3
143.10681	1.7
144.09370	1.8
145.10088	12.7
147.08044	5.2
147.11665	13.4
149.09595	51.5
151.07510	8.4
151.11081	2.1
153.09099	2.3
155.10648	8.5
156.09386	2.0
159.11650	17.7
161.09526	1.6
161.13239	15.3
163.11153	12.7
165.12704	11.7
167.10638	100.0
167.12083	3.3
171.11636	7.9
177.12698	12.6
179.14313	6.2
181.12221	8.0
183.13725	13.9
189.12674	19.9
195.13741	12.8
207.13759	39.7
213.14809	2.0
225.14809	97.5
243.15837	45.7
394.31619	1.5
406.13104	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77328	1.6
53.03926	1.6
55.01857	7.2
55.05505	14.3
57.03416	5.9
57.07056	2.9
59.04985	2.6
60.24336	1.7
61.02903	3.9
67.05495	19.3
69.03415	18.0
69.06667	2.3
69.07048	57.0
70.06567	2.1
71.04971	12.7
79.05478	12.4
81.03391	2.4
81.07038	39.7
83.04951	12.5
83.08603	2.9
84.14279	1.5
85.02886	30.2
85.06521	6.3
91.05467	16.7
92.09092	2.7
93.06474	3.2
93.07019	42.4
95.04954	20.0
95.08582	43.0
97.02859	9.9
97.06488	11.9
99.04423	21.9
99.08065	3.4
105.07001	33.7
107.08566	59.9
109.02859	2.9
109.06495	35.8
109.10139	42.0
111.08031	3.9
117.06986	3.3
119.08555	68.8
121.06474	3.5
121.10118	69.6
123.08048	45.1
123.11687	10.2
125.05943	2.3
125.09592	3.7
127.03933	2.0
127.07532	2.2
129.06952	1.9
131.08546	8.0
133.06436	2.9
133.10106	26.5
135.08015	7.0
135.11662	24.5
137.09601	28.8
137.13268	6.8
139.07532	2.2
139.11098	1.8
139.44913	1.7
141.09052	3.2
143.08551	2.7
144.09360	2.6
145.04890	2.4
145.10081	9.1
147.08009	6.4
147.11664	26.3
147.54317	1.5
149.09612	30.5
149.13226	16.1
151.07535	3.6
151.11116	13.5
156.09357	3.3
159.11656	19.3
161.13210	32.7
163.11139	12.7
165.12738	7.4
167.10678	2.1
167.21750	1.8
171.11688	7.8
174.10396	2.1
177.12709	47.7
179.14272	11.0
181.12193	6.4
189.12704	29.0
195.13765	100.0
207.10161	1.6
207.13754	44.9
207.15617	2.3
214.02359	1.9
225.14847	41.9
243.15805	13.1
370.89844	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
54.36078	0.2
55.01844	1.0
55.05502	11.8
57.03418	1.3
57.07054	0.5
59.04974	1.0
61.02902	0.3
65.03894	0.2
67.05492	4.4
69.03409	2.8
69.07050	3.9
70.06573	0.3
71.01299	0.2
71.04980	2.6
72.45984	0.2
73.69001	0.2
79.05481	2.8
81.03387	2.0
81.07034	9.2
81.27607	0.2
82.06545	0.3
83.04961	15.8
83.08604	3.0
84.77937	0.2
85.02891	6.0
85.06511	1.5
86.09686	0.4
87.04449	0.4
91.03915	0.3
91.05450	3.2
92.08997	1.2
93.07022	11.7
95.04932	2.7
95.07995	0.4
95.08580	6.7
97.02856	1.8
97.06522	2.6
97.10142	1.7
99.04429	3.9
99.08050	1.0
101.05971	0.3
105.03368	3.7
105.07008	7.9
106.03676	0.4
107.08568	8.4
109.02860	1.4
109.06512	2.4
109.10136	10.2
110.06026	6.3
111.04462	0.2
111.08055	2.0
117.06982	0.6
119.08551	10.1
120.09285	0.3
121.06487	1.6
121.10123	5.9
123.04419	0.6
123.08041	3.7
123.11686	2.9
125.05922	0.3
125.09581	2.4
127.03878	1.4
127.07566	0.5
131.08533	1.1
133.06396	0.4
133.10109	4.3
135.08029	0.4
135.11682	1.7
137.09560	1.6
137.13206	0.5
138.05472	100.0
139.05818	0.5
139.07550	0.3
141.09068	1.2
141.10129	0.2
143.08572	0.5
145.04991	0.3
145.10114	1.7
147.07990	0.5
147.11671	3.7
149.09608	2.8
149.13272	2.8
151.07491	0.9
151.11160	10.4
151.14851	0.2
156.06525	23.2
156.09268	1.0
159.11647	1.6
161.09554	0.4
161.13208	6.1
161.15263	0.3
163.11154	3.7
165.00500	0.2
165.09033	0.5
165.12694	1.0
167.10603	0.5
167.14270	4.0
169.08537	0.4
171.11644	1.6
177.12701	5.7
179.14290	2.8
181.12341	0.4
183.13899	0.2
189.12727	3.7
195.13730	1.7
207.13766	7.4
225.14810	39.8
243.15785	1.5
245.08473	0.3
267.25714	0.2
276.45877	0.2
337.72803	0.2
422.14673	1.6
423.12497	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	422.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.01858	9.3
55.05488	15.6
55.78331	2.0
57.03416	9.8
57.07077	2.3
61.02908	1.9
67.05491	21.9
69.03403	11.8
69.07046	10.7
69.53432	1.8
71.04970	8.9
79.05469	13.6
81.03387	12.3
81.07042	100.0
81.57580	2.1
83.04960	5.3
83.08611	10.0
85.02893	36.6
85.06532	9.3
91.05457	29.6
92.08716	5.3
92.09312	4.2
93.07032	16.4
95.04932	9.7
95.08025	2.3
95.08578	21.4
97.02875	9.6
97.06519	12.2
97.10156	2.8
99.04417	3.7
100.11156	2.1
105.03389	30.8
105.07020	32.8
107.08595	16.3
109.02843	4.9
109.06461	7.8
109.10141	3.2
119.08559	37.3
121.06454	3.8
121.10125	22.5
123.08033	4.3
123.11684	32.4
127.03912	11.3
131.08571	2.5
133.10088	9.2
137.13278	5.3
138.05482	5.3
147.11673	91.9
157.10138	2.8
162.60870	2.0
165.09079	5.3
165.12723	64.3
175.11217	3.7
193.12251	11.4
197.15338	16.5
225.14874	8.6
229.14375	9.4
243.15852	92.3
298.70413	2.3
369.19101	4.0
415.24744	2.5
422.12067	3.3
422.21732	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	422.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42949	0.2
54.31794	0.3
55.01880	0.4
55.05507	0.7
56.05030	3.4
57.03440	0.3
57.07072	0.4
67.05496	0.8
69.03415	0.4
69.07057	0.7
70.06576	0.5
71.04992	0.5
72.08161	0.4
74.05648	0.6
74.06061	13.5
79.05481	1.4
81.07040	3.2
83.04969	0.6
83.08582	0.4
85.02900	1.7
85.06551	0.7
86.09693	100.0
91.05494	0.7
93.07009	2.5
95.04958	0.5
95.08585	1.8
97.02846	0.5
97.06507	1.9
98.06036	1.9
99.05605	0.5
103.05449	0.6
105.03384	1.2
105.06993	1.4
107.08581	1.9
109.10143	1.7
113.09679	0.5
116.07095	0.7
119.08562	1.5
120.08094	15.4
121.10151	1.5
123.11668	0.4
126.05492	8.3
133.10104	0.6
137.09567	0.4
138.05518	2.5
139.12270	0.6
144.06543	0.5
147.04382	0.6
147.11644	0.4
156.06566	0.3
161.13217	0.5
166.08600	4.6
167.06961	0.6
169.12166	0.8
179.14331	1.7
195.11246	2.7
203.07016	0.5
207.13785	0.5
211.14459	0.4
215.16393	1.4
225.14864	1.4
225.18430	0.6
239.13847	10.3
243.16039	1.4
257.14929	0.7
279.16986	7.2
283.28571	0.4
357.13065	0.4
358.51892	0.4
360.19104	0.5
397.07376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67636	0.7
53.03928	0.7
55.01854	2.0
55.05496	1.6
57.03435	6.7
57.07070	0.9
59.04974	0.9
61.02906	5.7
67.05489	4.3
69.03410	14.0
69.07048	0.8
70.03746	1.8
71.04965	3.6
73.02889	11.7
74.03218	0.9
75.03315	0.9
79.05459	5.1
80.05791	0.9
81.03394	15.0
81.07050	4.8
82.03719	0.9
83.04955	4.3
84.89328	0.8
85.02884	24.7
85.06529	1.1
86.03207	3.6
91.05460	21.5
92.05778	5.9
92.08934	2.0
93.07021	6.9
95.04956	6.8
95.08570	7.0
97.02864	11.1
97.06497	1.4
98.03235	1.5
99.04433	4.6
103.05441	0.8
103.86962	0.7
105.03365	22.9
105.06990	9.1
106.03700	12.7
107.03925	1.4
107.04929	6.0
107.08571	9.7
109.02864	4.4
109.06507	4.9
109.10165	6.0
111.08048	1.6
113.05956	1.1
115.03929	1.4
115.05455	0.8
117.06994	4.3
119.08546	13.0
121.06461	6.9
121.10108	9.4
123.04412	4.4
123.08038	9.0
123.11684	1.9
124.03890	1.2
124.04707	1.3
125.09600	1.1
127.03883	5.3
128.04259	1.1
129.07018	0.9
131.04881	1.2
131.08543	4.4
133.04968	0.9
133.06450	3.9
133.10104	5.7
135.08022	6.9
136.05193	1.1
137.05975	1.9
137.09581	5.0
139.07574	1.5
143.08548	1.1
145.04956	3.6
145.06465	1.0
145.10114	4.0
146.07162	1.0
147.04373	1.5
147.05467	1.0
147.08031	12.9
147.11697	3.7
148.05179	5.5
149.05943	1.6
149.09576	8.9
151.07535	13.1
151.11151	3.4
153.05423	3.2
156.09329	3.5
159.11685	6.8
161.05917	12.4
161.13210	5.0
162.06689	1.5
163.07504	27.6
163.09756	0.8
163.11153	5.1
164.08305	3.2
165.09042	3.4
165.12755	1.1
166.06163	6.9
167.07018	1.1
167.10628	20.4
168.07803	3.6
171.11649	3.4
174.10251	1.0
175.07515	3.4
176.08289	34.8
176.09460	1.3
177.05431	1.9
177.09076	14.2
177.12721	3.0
178.09850	100.0
179.07042	7.7
179.10628	14.3
180.07780	1.5
181.08554	58.7
185.73300	0.8
189.12773	5.2
192.07816	1.8
194.09334	16.0
195.10133	6.4
207.10158	20.8
207.13715	12.8
209.11687	90.8
219.52821	0.8
225.11119	5.2
225.14809	10.8
227.12737	1.1
243.15869	12.2
278.60471	0.9
305.13806	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70063	0.3
51.02366	0.3
53.03943	4.3
54.81484	0.3
55.01860	0.5
55.05502	1.6
57.03420	1.7
57.07075	0.3
58.00092	0.2
67.05484	1.6
69.03419	6.5
69.07049	2.0
71.04965	1.2
79.05479	6.8
81.03403	16.0
81.07045	4.4
82.07387	0.5
83.04987	0.3
83.08603	1.0
85.02895	8.8
91.05460	1.4
92.08888	1.9
92.63447	0.4
93.07009	1.5
95.04958	4.9
95.08585	3.2
96.08916	0.3
97.02873	9.0
97.06516	0.6
97.10155	1.4
99.04457	2.3
103.05461	2.1
105.03379	100.0
105.07007	1.5
106.03708	0.4
107.08602	1.6
109.02866	7.7
109.10130	3.0
117.07010	0.4
119.08562	1.6
121.06490	1.3
121.10126	1.2
123.04413	9.2
123.11706	0.6
125.09737	0.3
127.03897	5.9
129.06981	0.3
133.10100	1.4
138.05522	1.2
139.39032	0.2
145.04944	1.1
147.11684	0.7
149.02243	0.3
149.13217	0.6
183.84583	0.3
189.16327	2.0
207.17430	2.6
225.18471	2.0
229.08675	0.6
229.14333	0.6
231.06462	0.6
243.19539	0.5
249.07535	17.3
267.08603	12.9
269.17416	0.4
281.15726	0.3
300.53403	0.3
304.37479	0.3
355.86475	0.3
421.21826	1.5
422.22256	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.01863	0.2
55.05497	0.6
56.96589	0.2
57.03428	1.0
57.07076	0.3
58.19817	0.2
60.13284	0.2
67.05487	1.1
69.03419	6.3
69.07051	0.6
71.04971	1.9
77.03904	0.3
77.23715	0.2
79.05475	5.8
81.03403	15.3
81.07034	4.1
82.07366	1.5
83.08591	0.2
84.04956	0.2
85.02425	0.4
85.02894	8.4
85.06538	1.0
87.98556	0.2
91.05460	0.5
92.09113	1.0
93.07035	1.5
94.07359	0.3
95.04956	5.5
95.08587	1.7
97.02874	8.6
97.06503	0.5
99.04430	2.1
103.03944	0.5
103.05427	0.3
104.20998	0.2
105.03378	100.0
105.07013	1.2
106.03720	1.0
107.08582	2.0
108.04454	0.3
108.08891	0.5
109.02859	8.3
109.10128	1.6
110.09684	0.2
110.10467	0.2
119.08579	0.5
120.08869	0.4
121.06488	1.2
121.10112	1.1
123.03532	0.3
123.04415	9.0
123.11674	0.4
124.11978	0.4
127.03895	5.5
128.06110	0.3
133.10135	0.4
135.11690	1.2
136.12029	1.3
137.12325	0.3
138.05479	0.5
138.09111	0.5
140.69283	0.3
145.04921	1.2
146.30035	0.3
147.04213	0.3
147.11656	0.3
148.03412	0.2
148.12044	0.3
156.10159	0.3
161.13271	0.3
165.05537	0.5
203.17827	0.3
222.19299	0.3
225.14680	0.3
241.21486	0.3
249.07539	16.7
267.08588	14.6
290.25174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62130	0.4
51.79058	0.4
52.18332	0.4
53.03937	4.1
55.01866	0.9
55.05497	2.9
57.03417	2.7
61.02896	0.6
64.70058	0.4
67.05494	4.0
69.03416	7.8
69.07059	4.7
71.04971	2.1
71.55087	0.4
79.05480	5.8
81.03397	15.8
81.07042	5.0
82.06548	0.9
82.07357	0.5
83.04967	0.6
83.08600	2.2
85.02882	7.5
85.06548	1.0
91.05462	3.8
92.09023	3.0
93.07039	6.0
95.04948	8.3
95.08576	6.3
96.04472	3.4
96.08118	3.0
97.02868	7.1
97.05246	3.1
97.06508	5.3
97.10092	0.6
98.09690	0.5
99.04440	2.2
100.07593	0.7
105.03374	100.0
105.04521	2.6
105.06995	2.2
107.08557	2.6
108.04456	0.5
108.08115	1.1
109.02863	6.9
109.06519	1.1
109.10120	2.8
110.06012	8.2
110.09663	4.7
110.10321	0.6
111.04424	0.8
111.08086	1.1
113.09653	0.6
119.04940	2.0
119.08540	0.6
120.08067	1.1
121.06525	1.9
121.10143	0.9
123.04400	5.3
123.06713	0.7
123.11707	2.0
126.09123	10.4
127.03850	3.7
133.06534	0.5
133.10101	1.0
135.11714	0.9
136.12003	0.6
137.05981	2.7
138.05464	2.0
138.09116	27.6
139.07521	0.8
140.10672	0.4
145.04948	1.2
147.04373	2.0
147.11649	0.7
149.13248	1.1
150.06743	0.5
150.09171	1.0
152.10692	2.3
156.10176	75.3
159.11714	0.5
162.06694	0.6
163.03857	0.7
165.09125	0.6
180.10251	3.2
181.31712	0.5
198.11240	2.3
207.17386	0.6
225.18521	1.1
241.21448	0.7
249.07494	9.5
259.09537	3.6
264.12283	1.0
267.08557	3.4
290.95590	0.5
324.05075	0.5
395.11578	0.5
421.22095	1.1
422.18100	7.5
422.22690	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01859	0.2
55.05502	0.3
56.38609	0.2
57.03419	0.9
60.61910	0.2
61.02893	0.3
64.67289	0.2
65.03915	1.0
67.05484	0.3
69.03413	3.7
71.04961	0.9
73.02885	0.3
73.11360	0.2
73.72133	0.2
79.05464	0.2
81.03397	8.4
81.07041	0.4
83.04964	0.4
85.02412	0.3
85.02889	5.2
87.04444	0.3
91.05450	0.8
92.08691	0.2
92.09178	0.4
93.07020	1.1
95.04946	7.3
95.08560	0.8
97.02874	5.3
99.04434	1.7
105.06995	1.8
107.08569	1.2
109.02863	3.3
109.06508	0.5
109.10146	0.4
111.04430	1.5
117.07036	0.4
119.08566	4.6
121.02841	100.0
121.10135	1.3
122.03163	0.2
123.04409	0.2
123.08014	0.4
127.03910	2.2
129.06960	0.2
131.08563	0.9
133.06583	0.2
133.10120	1.3
135.08028	0.4
137.06003	0.4
137.09579	0.4
139.03877	16.0
143.08546	0.4
145.04924	0.4
145.10115	0.3
147.08063	1.0
147.11650	1.1
149.09612	0.4
150.06531	0.2
151.03883	0.2
156.09335	0.3
159.08070	0.2
159.11678	0.3
161.13252	1.1
163.03926	0.4
163.11166	0.4
165.05415	0.3
177.12766	0.3
179.07108	0.3
181.04855	0.3
189.12708	1.1
194.45012	0.2
207.10234	0.3
207.13806	1.2
224.13663	0.2
225.14835	1.0
231.98894	0.2
265.06979	8.1
283.08072	15.3
295.55557	0.2
397.03946	0.2
421.16693	0.8
422.17105	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.2
53.03685	0.2
53.03939	4.6
54.82073	0.1
55.01860	0.6
55.05486	0.2
55.84556	0.1
57.03423	1.1
61.02925	0.2
67.05489	0.1
69.03412	6.4
71.04969	1.2
73.02894	0.6
73.42219	0.1
77.03905	0.6
77.38749	0.1
79.05470	4.1
79.71310	0.1
81.03397	19.9
81.07031	0.3
83.01336	0.2
83.08637	0.2
85.02888	5.6
92.08862	0.2
93.07024	0.2
95.04946	6.0
95.08593	0.2
97.02866	10.0
99.04431	2.6
105.03372	100.0
106.03709	0.2
108.04455	0.6
109.02856	9.0
123.04395	6.0
127.03886	5.5
145.04930	1.3
195.06499	0.2
197.15463	0.1
243.15930	0.2
249.07526	20.9
267.08566	7.3
284.26746	0.1
285.77161	0.2
353.58328	0.1
374.19217	0.2
408.51837	0.1
422.21866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.4
50.19301	0.3
51.02380	0.9
53.03935	3.7
55.01867	0.8
57.03431	3.0
61.02914	0.7
64.24956	0.4
69.03415	11.4
71.04979	1.0
73.02898	2.4
78.03432	21.0
79.05473	0.9
80.05003	2.6
81.03397	20.7
82.03725	0.4
85.02890	11.0
91.05460	3.6
92.05798	0.4
93.07030	0.5
95.04943	0.6
95.08546	0.5
96.02091	2.5
96.04481	5.8
97.02859	7.3
99.04413	4.3
105.03368	12.9
105.07003	0.5
105.69102	0.5
106.02901	78.3
106.03690	5.0
106.07240	0.4
107.03861	0.4
109.02864	11.8
110.03156	0.5
115.03900	0.7
123.04407	0.9
124.03928	100.0
127.03893	8.9
137.02312	63.0
151.07475	0.7
153.01936	0.4
163.44392	0.4
166.04922	0.6
167.06967	0.5
179.03313	0.5
183.88925	0.4
207.13742	0.5
225.11089	2.2
225.14728	0.7
232.05904	0.8
250.07039	18.4
267.08707	0.6
268.08121	24.5
269.09027	0.6
300.15436	0.4
404.04785	0.5
404.09671	12.5
422.10733	16.4
444.47015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3672
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
55.05503	21.8
57.07062	32.4
59.87203	4.5
64.24487	4.1
67.05486	9.2
69.07050	40.7
71.08613	21.4
75.28220	4.4
79.96942	4.7
81.07032	21.7
83.04962	47.8
83.08612	22.5
85.02864	4.9
85.10159	5.5
87.90202	5.1
92.08789	5.6
93.07050	5.1
95.08588	26.6
105.07002	8.0
109.10126	5.0
119.08533	8.5
121.10151	5.6
123.08057	7.4
123.11694	6.2
135.08128	4.9
137.05939	41.7
139.07503	6.0
147.11629	7.7
155.07071	5.6
161.09604	7.2
161.13206	4.8
263.73352	4.5
375.36127	9.8
403.35559	32.0
421.36661	100.0
444.05798	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	421.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62858	2.6
51.86747	2.4
52.62896	3.0
55.05508	42.1
57.03437	4.2
57.07065	42.2
57.76042	3.1
64.33687	3.6
66.57182	2.8
67.05492	16.9
69.07050	46.3
71.08608	20.0
79.05489	4.1
81.07029	29.3
82.80504	3.4
83.04974	51.3
83.08609	20.5
85.10163	3.9
90.79285	3.8
91.05486	6.6
92.08685	17.9
92.09312	14.2
93.07019	20.0
95.08581	31.5
97.10128	14.2
107.08556	14.2
109.06521	15.9
109.10133	19.1
119.08591	7.6
121.10142	3.9
123.08041	6.8
123.11684	8.0
133.10100	13.9
135.08047	6.7
137.05946	34.9
137.09511	3.7
139.07500	7.6
147.11664	5.4
155.06963	5.2
160.08716	4.5
161.09575	24.1
165.12779	3.4
175.11171	5.1
375.36111	16.7
385.34656	4.7
403.35660	28.8
421.36716	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	421.3676
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
55.05516	43.5
57.03434	4.1
57.07069	49.9
57.34664	3.4
67.05487	20.0
69.07057	58.8
70.84527	3.6
71.08620	25.5
71.94673	3.3
75.75446	3.6
79.05457	5.7
81.07038	39.4
83.01265	3.8
83.04967	48.6
83.08608	34.9
85.10201	4.2
91.05451	5.6
92.09074	3.9
93.07020	9.0
95.08578	47.0
97.10137	17.5
105.07008	9.8
107.08575	9.7
109.06478	16.2
109.10141	16.6
111.08041	5.4
119.08532	7.2
121.06474	7.5
121.10134	4.2
123.08028	27.7
123.11684	8.2
124.52135	3.7
128.89659	3.8
133.10097	7.7
135.08054	8.4
137.05933	32.2
137.09584	5.0
139.07484	31.1
147.11694	7.4
151.07512	21.4
161.09557	24.5
165.09172	9.3
175.11076	6.8
179.10640	6.8
189.12772	8.5
375.36014	24.5
385.34280	5.2
403.30847	6.0
403.35651	100.0
421.36670	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	3.4
55.01851	3.3
55.05504	37.1
57.07048	11.2
63.53930	2.5
67.05490	78.4
69.07054	47.0
71.08605	4.0
79.05470	23.0
80.53554	2.8
81.07030	100.0
83.08608	25.6
85.06516	2.9
91.05443	17.2
92.09211	7.0
93.06483	3.9
93.07020	49.1
95.08582	74.6
97.06487	4.7
97.10151	21.0
100.34582	3.4
105.06999	12.3
107.08562	11.6
109.10143	20.9
111.08037	16.5
111.11659	4.5
119.08561	11.4
121.10098	18.5
123.11655	14.3
133.10117	3.4
135.11650	5.5
139.07538	13.2
147.11620	5.2
149.13228	3.2
149.36670	2.5
149.81744	3.2
153.09088	5.5
161.13126	3.1
167.10614	5.5
176.80466	2.7
181.12216	3.4
220.09320	2.9
237.70827	2.9
245.22572	6.6
263.23608	14.7
403.35516	15.5
421.36664	56.4
449.40948	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	421.3675
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
50.69174	0.5
53.03939	1.4
55.01851	1.7
55.05508	17.2
57.03420	1.0
57.07067	9.2
57.11655	0.8
61.11993	0.6
67.05145	0.8
67.05495	19.2
69.07056	25.1
71.08600	4.9
72.86414	0.6
78.04666	0.7
79.05479	3.5
81.07037	6.3
83.04959	0.8
83.08605	17.4
85.06537	1.3
85.10169	1.5
91.05459	10.2
92.08981	3.8
93.07024	70.1
95.04929	3.8
95.08587	39.5
95.09202	1.4
95.89759	0.6
97.06508	2.6
97.10145	7.3
104.02200	0.7
105.07021	1.6
107.08581	9.3
109.06541	2.5
109.10143	4.3
111.08065	36.6
111.11689	3.2
116.67636	0.7
119.08559	1.6
121.06494	4.5
121.10102	3.7
123.08028	2.7
123.11681	1.5
125.09614	3.6
125.13283	0.9
127.07555	3.3
133.10123	1.0
135.11641	1.0
137.09621	0.8
139.07523	33.4
139.11084	0.9
147.11676	1.5
149.09644	1.1
149.13338	0.7
151.11180	0.8
153.09082	21.7
157.08609	6.2
157.10039	1.1
165.09187	1.1
165.12772	0.8
167.10637	13.5
179.10661	1.6
181.12213	9.6
182.94235	0.7
193.12250	3.1
195.13768	8.0
207.13780	3.9
208.01643	0.8
209.15359	4.5
221.15411	1.3
223.16942	3.1
237.18575	1.2
251.20087	2.7
265.21674	3.0
279.22919	1.1
282.08435	0.7
290.88986	0.7
302.50909	0.7
376.75858	0.9
403.35626	20.9
409.85205	0.7
421.36700	100.0
422.37204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.367
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
55.05504	27.1
57.07050	9.0
57.07309	1.2
58.36068	1.2
66.63919	1.2
67.05495	5.6
69.07053	45.2
71.08605	2.2
79.05474	1.7
81.07023	12.9
83.01329	15.8
83.04916	2.0
83.08598	22.6
83.47388	1.7
84.06998	1.3
90.64365	1.3
92.08873	7.8
93.07002	6.6
95.04965	1.6
95.08578	18.0
97.06503	3.3
97.10150	9.9
105.07027	3.1
107.08575	9.1
109.06506	1.8
109.10131	10.6
111.08067	7.5
111.11726	2.6
119.08566	2.6
121.06519	2.1
121.10136	7.3
123.08029	8.1
123.11632	2.7
125.05939	8.5
125.09614	9.5
127.07511	6.6
133.10078	1.5
135.08008	2.0
135.11702	3.4
137.09613	3.0
139.07523	35.7
139.11185	7.0
145.10098	2.3
149.09709	1.5
151.11171	7.5
153.09090	8.1
153.12773	2.6
159.11630	2.3
167.10674	10.8
177.12598	1.6
179.14291	1.9
181.12234	14.1
195.13701	14.6
207.13792	6.8
209.15350	9.1
237.18481	2.2
251.20128	2.3
265.21552	5.6
279.23096	2.4
286.31989	1.5
292.79013	1.6
305.45041	1.5
351.48422	1.8
360.29773	1.5
366.00711	1.7
383.55115	1.7
403.35764	23.3
421.36642	100.0
436.54736	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71701	1.5
53.03928	1.7
55.05510	15.0
57.07063	6.3
65.03989	1.6
67.05489	38.5
69.07050	23.1
73.77325	1.4
79.05477	22.7
81.07035	57.1
82.02263	1.4
83.08606	9.9
86.09655	1.4
91.05458	22.4
93.07019	47.0
95.04939	3.8
95.08582	64.1
105.07012	47.5
105.07661	3.1
107.08575	47.6
109.10146	41.6
117.06971	7.0
119.08555	46.6
119.09380	1.9
121.10104	27.2
123.11692	7.6
128.06187	2.3
129.06975	6.9
130.07761	2.0
131.08565	24.9
133.10115	34.5
135.11647	12.6
142.07747	16.1
143.08557	21.1
144.09274	3.0
145.10107	52.0
147.11641	24.6
149.13205	3.0
155.08548	6.4
156.09306	12.4
157.10088	41.3
158.10872	2.8
159.11644	42.2
161.13220	15.7
169.10120	16.9
170.10847	14.5
171.11638	42.6
172.12454	3.5
173.13248	17.3
175.14777	14.6
181.09995	2.5
182.10886	2.1
183.11633	11.0
184.12415	13.3
185.13193	20.5
187.14771	25.2
189.16362	6.2
195.11687	9.3
196.12389	2.5
197.13275	14.8
199.14780	100.0
200.15498	2.4
201.16328	81.8
203.17894	3.0
209.13216	4.0
210.13985	2.4
211.14764	13.4
213.16327	14.0
215.17896	6.9
217.15834	2.6
223.14845	3.8
224.15381	2.9
225.16353	8.0
227.17883	2.9
237.16354	3.0
239.17880	9.0
241.19563	2.3
251.17786	5.9
253.19377	8.1
265.19437	2.4
269.18951	2.1
279.20914	3.3
293.22687	3.0
295.24200	19.8
313.25153	2.5
321.25867	3.7
347.27536	1.6
403.33490	50.9
421.34900	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	421.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22395	1.3
53.03925	1.7
55.05502	11.8
57.07060	5.8
59.55472	1.3
66.43084	1.3
67.05492	30.8
69.07054	23.7
79.05473	24.4
81.07038	50.5
81.34967	1.4
83.08616	6.9
91.05447	16.0
92.09046	3.2
93.07022	38.6
95.04993	2.8
95.08587	61.7
97.10126	1.4
102.81379	1.3
105.06356	2.6
105.07024	48.0
107.08584	50.7
109.06512	1.4
109.10140	38.1
110.40099	1.5
117.07001	6.7
119.08569	45.3
121.10132	26.1
123.11661	5.8
129.06978	3.0
130.07835	1.7
131.08545	20.7
133.10114	27.1
135.11679	11.8
142.07771	7.6
143.08540	11.1
144.09290	2.5
145.10088	42.4
145.11208	1.8
147.11705	15.0
149.13290	2.5
155.08568	5.9
156.09361	11.5
157.10097	32.9
158.10905	3.0
159.11670	39.2
161.13232	19.4
163.14874	1.8
169.10101	13.3
170.10847	11.6
171.11682	35.6
172.12421	1.7
173.13211	17.7
175.14798	11.6
181.10114	2.6
183.11670	14.5
184.12439	14.2
185.13248	23.6
187.14786	20.0
189.16339	8.9
195.11682	7.0
196.12491	2.9
197.13232	10.9
199.14796	100.0
200.15582	2.0
201.16351	71.3
203.17949	2.7
207.11621	2.4
208.12480	2.0
209.13237	3.3
210.13979	2.8
211.14787	10.2
213.16339	17.8
215.18013	3.5
217.15848	6.0
219.17526	2.2
223.14748	6.7
225.16394	7.8
227.17896	2.7
229.19597	2.2
235.14760	1.6
237.16301	5.8
239.17908	8.8
243.21027	1.7
243.90543	1.6
251.17886	5.7
253.19514	3.3
265.19388	3.1
269.19003	1.5
277.19452	2.0
293.22629	2.7
295.24139	18.3
313.25293	3.3
403.33484	56.5
421.34586	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
53.38565	1.8
55.05507	20.0
57.07063	3.5
64.33420	1.6
67.05490	43.1
69.06754	1.7
69.07052	24.9
71.08614	1.6
79.05474	25.5
79.62694	1.5
81.07037	60.0
83.08591	9.4
85.10145	1.5
91.05460	22.3
91.34341	1.9
92.09023	8.7
93.07022	48.5
95.08584	70.8
97.10146	1.7
99.90965	1.6
103.05494	2.3
105.07014	45.1
107.08572	63.2
109.10133	51.3
109.10845	2.5
117.06963	7.1
119.08562	49.8
121.10130	32.8
123.11680	8.6
128.06210	2.6
129.06953	7.2
130.07776	2.2
131.08554	28.4
133.10104	33.2
135.11722	17.0
137.13240	2.5
141.06993	2.1
142.07722	6.6
143.08537	16.1
144.09286	3.8
145.10112	51.5
147.11649	25.3
149.13202	3.6
155.08556	6.9
156.09325	15.1
157.10091	36.1
158.10852	2.6
159.11658	39.5
161.13235	20.1
163.14706	2.4
169.10040	13.3
170.10878	14.3
171.11650	46.2
172.12349	2.0
173.13210	22.5
175.14772	14.7
177.16344	2.6
181.10168	2.4
183.11681	11.9
184.12469	17.6
185.13234	24.9
187.14777	22.6
189.16385	9.1
195.11632	4.0
196.12494	2.0
197.13298	14.5
199.14789	100.0
201.16353	76.0
209.13274	6.9
210.14012	2.2
211.14784	11.5
213.16373	16.4
215.17915	6.6
217.15915	7.6
223.14851	3.6
225.16348	10.1
227.17946	3.5
237.16345	7.6
239.17964	7.6
241.19261	2.3
243.17453	1.8
251.17769	3.8
253.19313	3.3
265.19598	3.8
275.99503	2.2
277.19623	2.0
279.20969	3.1
293.22665	2.4
295.24127	22.3
313.25290	6.8
320.10342	1.8
321.25327	2.9
333.25833	2.1
335.26987	2.2
403.28589	2.4
403.33530	49.9
421.34604	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90802	0.6
53.03928	0.7
55.05510	5.9
56.84132	0.6
57.07058	2.0
65.03905	0.8
67.05491	52.4
69.07058	7.5
70.28697	0.7
71.60879	0.7
72.02039	0.7
72.08119	0.8
79.05469	3.7
81.07038	17.2
83.08594	2.9
91.05460	3.7
92.09133	5.7
93.07021	4.5
95.08570	9.6
97.10106	1.1
105.07024	5.7
107.08559	8.1
109.10139	100.0
117.06979	1.0
119.08574	6.3
121.10095	4.0
123.11625	1.0
131.08537	1.3
132.08794	1.0
133.10101	4.9
135.11656	1.2
140.10684	3.1
147.11618	1.7
156.09320	1.0
157.10072	1.8
157.13356	1.9
159.11749	1.3
161.13258	1.3
163.14786	1.1
169.10114	1.7
171.11658	1.8
173.13206	1.2
175.14783	3.4
183.11684	1.5
185.13251	1.4
187.14812	0.9
197.13271	1.4
211.14755	1.3
239.17758	0.9
251.17964	1.1
257.19196	0.8
403.33142	1.4
421.29446	1.4
421.34641	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.4
55.01846	0.2
55.05499	0.4
55.23935	0.2
57.03424	1.0
61.02918	0.4
63.75790	0.2
67.05486	0.4
69.03397	1.2
69.07042	1.0
70.06569	0.6
72.08138	0.3
73.02909	0.3
78.04676	1.7
78.05125	0.3
79.05444	1.0
81.03387	1.3
81.07052	0.6
83.04955	0.3
85.02877	3.0
85.06565	0.3
91.05450	1.3
93.07004	1.4
95.04931	1.6
97.02853	1.4
97.06517	1.1
99.04414	0.5
105.03349	1.0
105.07001	1.1
106.04156	1.5
107.04935	0.5
107.08565	0.5
109.02860	1.1
109.03939	0.3
109.06499	0.5
109.10155	0.4
113.02525	0.3
117.07002	0.5
119.04060	0.3
119.04901	0.4
119.08549	0.5
121.02798	0.3
121.06467	1.0
121.10146	0.5
123.04400	5.8
123.08011	0.4
124.05179	2.6
125.09576	0.3
127.03896	0.4
127.07529	1.2
129.09093	1.3
130.06534	0.3
134.03615	1.1
137.02325	0.3
137.05942	1.5
137.09599	0.5
138.03104	0.4
139.03928	0.3
140.04631	1.6
140.07039	0.4
141.05409	0.9
145.04927	0.3
149.00490	0.5
149.09491	0.3
150.00854	0.4
151.03893	1.0
152.04689	2.5
153.05421	1.0
155.06956	1.4
157.07697	0.3
159.11626	0.5
163.03833	0.5
163.07510	0.3
163.11130	0.5
164.11513	0.3
166.04956	0.4
167.06993	100.0
170.05701	8.9
177.00018	0.5
177.05377	0.4
177.09105	0.5
178.00322	0.3
178.09439	0.4
205.08623	0.4
205.12279	0.4
206.08958	0.3
206.12671	0.3
223.00505	3.6
223.09677	0.9
223.13194	0.9
224.00891	5.6
224.13499	0.3
241.01572	0.3
241.10645	5.2
241.14311	0.3
242.02043	0.3
242.10753	0.3
259.11707	3.1
294.55655	0.3
300.13184	0.3
337.58328	0.3
337.62393	0.3
375.49387	0.3
411.25800	0.3
416.94577	0.3
421.16312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02347	0.5
53.03936	2.6
55.01851	1.9
55.05499	1.6
57.03416	2.1
59.04967	0.4
61.02909	0.4
64.03532	0.3
67.05482	1.4
69.03417	3.6
69.07049	1.4
71.01326	0.8
71.04977	2.1
73.02898	2.1
75.04465	0.4
77.03926	0.4
78.04690	0.4
78.90805	0.4
79.05473	5.3
80.73523	0.3
81.03387	3.1
81.07043	5.4
82.07378	0.8
85.02889	12.7
85.06519	2.4
91.05443	3.8
92.08989	0.5
93.07034	2.5
95.04951	7.9
95.08564	2.5
97.02867	3.8
99.04445	0.6
103.03923	5.6
103.05434	0.9
105.03374	100.0
105.04528	2.6
105.07003	4.8
106.03672	0.4
107.04933	0.6
107.08582	2.5
108.08932	0.7
108.19912	0.4
109.02840	3.1
109.06525	0.5
109.10144	2.7
111.04394	0.4
111.08055	0.5
115.05408	2.7
117.06979	1.4
119.04947	2.2
119.08540	2.5
120.08923	0.6
121.06504	0.6
121.10090	2.0
123.04413	8.7
123.08010	0.5
123.11677	1.7
127.03889	0.9
128.06210	2.6
129.06961	6.0
131.04897	1.7
131.08531	0.7
133.06465	3.2
133.10118	0.8
133.35678	0.3
135.08113	0.4
135.11639	3.2
136.05255	0.4
136.12019	1.9
137.05954	7.4
141.07022	0.4
141.68793	0.4
143.04953	1.5
143.08568	1.7
145.06444	2.4
147.04396	6.6
147.08008	0.7
147.11639	0.8
149.05943	3.5
151.07526	5.2
153.06927	3.5
155.08519	0.6
157.06490	4.1
159.08018	1.4
160.05164	0.7
161.05942	5.6
163.03886	1.8
163.07487	0.6
165.05438	13.2
165.06828	0.5
167.06995	2.3
171.08038	1.7
173.05984	2.1
174.88986	0.5
175.07474	6.3
177.05482	0.6
179.06995	3.8
181.06393	3.2
185.05981	2.1
187.07516	1.8
189.05446	0.7
189.09116	0.9
191.07025	2.0
199.07477	4.0
203.06999	6.5
204.07965	0.5
205.08629	0.4
207.06548	2.1
217.08607	3.4
219.06496	0.5
221.08064	2.5
222.19347	0.5
223.16823	0.7
227.07013	3.0
233.07932	0.6
241.17935	0.9
242.18333	0.4
245.08047	12.8
249.07520	2.1
263.09097	7.1
267.08582	2.7
351.94299	0.4
385.12738	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.05501	3.9
57.03428	1.3
57.07061	2.5
58.45274	0.3
61.02898	0.7
61.45177	0.3
65.07826	0.3
67.05489	8.3
69.03409	2.4
69.07047	7.8
71.04969	0.9
71.08633	0.4
71.30161	0.3
73.02892	0.5
74.88960	0.3
79.05482	4.8
81.03391	0.8
81.07037	20.8
83.08597	4.2
85.02887	15.3
85.06524	0.5
91.05455	2.9
92.09100	0.5
93.07021	21.6
95.04950	0.4
95.08579	17.5
97.02852	2.5
97.06529	0.4
97.10139	4.5
99.04440	0.5
99.08066	0.5
105.03374	1.9
105.07007	1.5
107.08575	19.2
109.02859	1.5
109.04503	0.3
109.10139	23.3
110.11864	0.3
113.09639	2.8
119.08555	0.7
121.10111	11.5
123.04443	0.4
123.11678	76.9
124.11971	0.5
127.03892	3.8
127.11206	0.4
133.88913	0.4
135.11662	43.9
137.05896	0.4
137.13226	1.5
145.04935	5.6
147.11662	0.5
149.13232	100.0
150.13594	0.6
163.05994	6.0
163.14827	2.7
167.06967	0.4
203.17841	0.5
205.19479	88.1
223.20509	2.3
249.07445	0.4
259.74908	0.4
286.42862	0.4
420.34134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1126
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
51.02365	0.5
53.03944	6.3
55.01857	0.4
57.03411	1.5
57.20509	0.3
61.05530	0.2
67.05495	0.4
68.07697	0.3
69.03069	0.4
69.03416	7.0
69.07053	0.5
69.84164	0.2
71.04973	1.1
73.02911	0.5
77.03908	0.4
79.05474	5.3
81.03398	20.2
81.07027	2.0
83.04962	0.4
85.02408	0.5
85.02890	6.9
85.06525	1.4
91.05454	0.4
92.08732	1.0
92.09331	0.6
93.07018	1.7
95.04336	0.3
95.04948	8.5
95.08573	2.0
95.79781	0.2
96.08932	0.3
97.02870	10.1
99.04424	2.3
105.03374	100.0
105.07014	1.0
106.03722	0.4
107.08584	1.0
109.02863	8.1
109.10134	0.6
119.08589	1.1
121.10132	0.6
123.04398	6.2
127.03896	5.3
133.10110	0.4
137.02376	0.4
145.04951	1.2
145.10077	0.3
146.70851	0.3
147.11664	0.4
149.13254	0.3
159.11665	0.4
202.40527	0.3
205.12254	0.4
223.16972	1.1
249.07529	16.7
267.08569	3.1
431.13358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01859	1.0
55.05502	32.3
57.03419	2.5
57.07068	15.0
60.31276	0.8
61.02894	1.9
67.05145	1.4
67.05488	35.8
69.03402	6.6
69.07049	40.5
71.04986	8.0
71.08595	4.6
73.02872	2.0
79.05470	24.0
81.03397	1.9
81.07034	66.6
82.01012	1.0
83.08601	58.4
85.02879	18.1
85.06522	19.2
91.05460	11.7
92.08787	1.1
93.07020	69.9
95.04929	4.3
95.08582	62.1
97.02844	6.0
97.06498	1.1
97.10146	17.6
99.04411	1.2
99.08069	30.1
105.03355	4.2
105.06998	5.4
107.08574	67.7
109.02843	1.6
109.10140	75.1
111.11693	2.3
113.09602	7.1
119.08516	1.6
121.06398	1.7
121.10116	48.6
123.11681	44.2
125.09580	1.3
127.03860	1.5
127.11173	2.4
133.10089	1.6
135.10663	1.4
135.11671	37.8
137.13226	5.4
139.14795	2.2
145.04895	1.3
147.11684	2.1
149.13232	100.0
150.13495	1.1
163.14731	11.5
205.19473	64.8
223.20520	77.1
241.21603	1.5
407.66580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02677	0.5
53.03919	0.5
53.92135	0.4
55.01863	1.1
55.05500	9.6
57.03430	4.2
57.07061	3.7
61.02908	2.4
66.28819	0.5
67.05491	15.3
69.03407	5.9
69.06709	1.0
69.07053	16.9
71.04978	6.3
71.08604	0.7
73.02882	0.9
79.05453	4.8
81.03402	4.5
81.07038	31.3
83.08607	8.9
85.02885	16.0
85.06528	100.0
91.05445	4.0
93.06490	0.7
93.07028	13.2
95.04955	1.2
95.08586	44.5
97.02878	6.0
97.06519	1.3
97.10152	6.6
99.04463	2.1
99.08067	12.8
104.18861	0.6
105.03370	12.3
105.07005	2.7
106.03702	6.7
107.03991	1.2
107.04910	0.5
107.08566	13.4
109.02854	1.4
109.09392	1.3
109.10135	31.9
111.08047	0.7
111.11709	0.7
113.09638	0.9
115.03909	0.8
119.08541	0.7
121.10125	12.7
123.04448	0.7
123.10783	1.0
123.11671	28.3
124.04765	0.6
125.09621	0.7
127.03878	3.1
127.11195	2.7
135.11650	9.4
137.13228	3.1
140.99747	0.6
141.12698	2.4
145.04994	0.7
149.13239	12.2
153.12617	0.7
163.14777	2.5
177.16339	0.7
179.17891	0.8
205.19495	10.7
216.57240	0.5
223.20514	10.6
241.21568	22.5
251.08308	0.6
252.08421	0.9
279.89853	0.7
394.39365	0.6
420.32184	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01865	0.6
55.05502	12.4
57.03432	3.9
57.07066	4.1
58.27772	0.4
59.04979	0.8
61.02911	2.1
67.05494	15.6
69.03407	4.8
69.07052	17.5
71.04976	8.2
71.08612	0.8
73.02896	0.7
79.05464	5.0
81.03400	1.1
81.07037	32.0
83.08607	10.6
85.02514	0.4
85.02888	15.5
85.06528	100.0
86.86068	0.4
91.05437	3.4
92.09222	1.7
93.07020	12.8
95.04934	2.1
95.08582	45.9
97.02892	4.2
97.06511	2.1
97.10154	6.4
99.08076	13.0
103.07594	0.9
105.03376	3.9
105.07016	2.2
106.03720	1.1
107.04925	0.5
107.05730	0.5
107.08571	13.7
109.02867	0.9
109.09388	1.2
109.10139	35.8
111.08077	0.7
111.11714	0.9
113.09644	2.8
119.08582	0.7
121.10117	12.4
123.04414	0.7
123.11682	28.4
125.09618	0.6
127.03914	2.4
127.11128	3.6
133.04977	0.5
133.10136	0.6
135.11678	8.9
137.13255	2.9
139.11240	0.8
141.12743	2.5
145.04918	0.8
145.10069	0.7
149.13240	12.8
163.14799	2.8
167.14217	0.9
177.16388	0.5
179.17972	1.1
205.19450	10.6
222.63878	0.5
223.20514	9.5
230.63152	0.6
241.21582	25.7
394.51483	0.6
420.31918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03714	0.2
53.03941	2.4
55.01849	0.3
55.05499	1.4
57.03432	2.2
57.03664	0.3
61.02917	0.7
67.05461	0.3
69.03413	7.7
71.04974	3.6
73.02911	0.5
77.03903	0.6
79.05004	0.3
79.05470	8.3
81.03399	9.1
83.04964	3.6
85.02886	16.0
86.15878	0.3
91.05459	5.1
92.08855	1.4
95.04940	3.4
97.02867	4.8
99.04422	1.4
101.05997	8.2
105.03373	100.0
105.06984	0.5
106.03719	0.3
107.08549	0.4
109.02865	5.6
119.07011	2.6
121.06480	0.5
123.04397	15.2
127.03885	5.9
133.10123	0.6
135.11601	0.4
137.08054	5.1
145.04993	1.3
159.11639	0.6
168.71053	0.3
205.12206	0.6
223.13280	1.2
231.06578	1.6
249.07506	7.1
263.09161	0.5
267.08578	24.5
281.10150	0.5
291.83560	0.3
409.01395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84863	0.1
53.03937	2.4
54.47224	0.2
55.01874	0.3
55.05498	0.3
57.03426	1.7
58.03738	0.2
59.04983	0.8
61.02909	1.1
69.03414	7.7
69.20995	0.2
71.04968	0.4
73.02902	0.2
73.58486	0.2
73.64521	0.2
77.03922	0.4
77.53291	0.2
79.05473	7.9
79.84223	0.2
81.02930	0.3
81.03398	9.1
83.04955	0.4
85.02889	12.9
92.08697	0.2
92.09185	0.4
95.04941	4.4
95.30157	0.2
97.02863	4.2
99.04418	1.5
100.44801	0.2
101.06010	1.0
103.28789	0.2
105.03370	100.0
106.03716	0.5
109.02858	5.0
119.07055	0.4
123.04399	15.9
127.03901	4.9
137.08095	0.5
145.04936	1.0
151.11169	0.5
162.14366	0.2
215.37695	0.2
223.13225	0.2
231.06517	1.6
241.14323	0.4
249.07516	6.0
267.08563	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	420.186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03176	1.4
57.03431	23.9
61.02915	7.9
69.03420	17.2
69.28776	0.8
71.01342	1.0
73.02901	48.9
74.84805	0.9
79.44911	0.8
81.03421	0.9
83.41329	0.8
85.02892	28.9
85.03368	1.5
91.05465	100.0
92.08912	1.6
97.02870	37.7
99.04429	1.0
103.03954	1.1
105.03377	3.0
105.06989	1.1
106.03741	0.9
109.02845	1.1
115.03917	16.1
127.03902	5.3
129.06999	0.9
130.22365	0.7
131.08624	1.3
133.04948	3.3
133.06392	1.0
145.04955	6.1
145.06468	1.3
150.07591	1.1
161.04475	1.1
163.06059	1.3
171.08192	1.0
177.50258	0.9
217.08615	1.4
235.09489	1.0
241.06833	1.0
253.10612	3.8
259.08078	2.0
265.07123	0.8
295.10236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01846	0.4
55.05494	0.6
57.03426	0.6
59.05000	0.3
61.02909	0.6
69.03419	7.9
69.71599	0.3
71.04973	1.7
73.02950	0.3
79.05474	6.3
81.03396	9.4
83.04967	1.4
83.79783	0.3
85.02887	12.1
92.08614	0.6
92.09158	1.3
95.04958	4.7
97.02863	7.1
99.04417	1.8
101.06002	3.7
105.03371	100.0
106.02914	0.6
106.03706	0.7
109.02869	5.8
122.60365	0.3
123.04398	13.5
123.15642	0.3
124.03939	1.3
127.03897	4.5
145.04910	0.7
146.05205	0.3
223.13203	0.5
231.06456	0.8
235.94299	0.4
249.07484	7.1
267.08572	21.3
298.43527	0.3
399.11530	0.3
442.29684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01864	10.3
55.05497	3.6
57.03418	6.0
57.07051	1.8
61.02906	2.1
65.03915	5.8
67.05489	14.8
69.03407	7.3
69.07053	11.4
70.06561	1.8
71.04972	6.1
73.02904	2.2
78.04678	1.7
79.05468	20.4
81.03397	9.4
81.07041	30.9
82.07323	1.7
83.04955	7.0
83.08564	1.6
85.02886	17.1
85.06526	11.3
91.05457	24.3
92.08723	1.6
92.09225	1.8
93.03385	3.3
93.07019	21.6
95.04948	20.9
95.08580	19.6
96.08921	1.5
97.02871	8.6
97.06487	7.9
98.06019	8.0
99.02483	1.6
99.04430	1.9
99.08078	1.8
103.05452	11.3
105.03369	21.6
105.04503	1.6
105.07015	27.7
106.07355	3.0
107.04931	24.0
107.08574	16.7
108.08911	1.4
109.02856	6.7
109.06491	3.2
109.10121	11.4
110.03637	2.1
111.04426	7.7
111.08033	2.3
115.05433	13.9
116.06207	1.8
117.06990	9.6
119.04920	8.7
119.08555	15.3
120.08868	1.6
121.02850	1.6
121.06483	6.8
121.10110	12.5
123.04407	25.1
123.11697	6.0
124.05174	2.8
125.05990	11.8
127.03894	2.4
128.06242	2.8
129.06946	11.2
131.04922	13.3
131.08556	12.8
132.05772	1.4
133.02904	1.6
133.06502	14.0
133.10117	9.6
134.10426	2.5
135.04388	7.8
135.11655	9.8
136.05145	2.5
137.02324	2.9
137.05965	13.8
137.09592	3.3
139.03856	7.1
139.07602	2.0
139.11270	1.6
140.04622	1.7
141.05444	1.9
141.06943	3.5
142.02536	1.8
143.04939	1.7
143.08496	2.6
144.05670	3.1
145.06465	20.4
145.10089	7.0
147.04369	6.6
147.08009	3.2
147.11639	11.7
149.05952	3.6
149.13217	1.8
151.03859	3.2
151.07515	5.5
152.04616	1.9
153.05458	20.2
154.05074	2.0
154.06226	15.5
155.05923	2.4
155.07010	6.7
156.05661	2.6
157.06451	2.5
157.12230	2.0
159.08022	10.8
159.11591	1.7
160.05095	2.5
161.05943	15.2
162.06273	1.5
163.03920	2.2
163.07526	3.4
163.11147	2.1
163.14847	2.5
164.07964	3.0
165.05431	8.2
165.65959	1.7
167.03314	3.0
167.06992	100.0
168.07771	24.8
169.07533	3.1
171.06540	3.0
171.07953	1.7
172.05066	1.7
173.05956	11.1
175.07588	10.4
175.14815	1.6
177.05411	9.8
177.16298	1.8
178.06044	1.6
179.07005	3.1
180.07796	5.9
181.04933	61.3
181.08522	3.1
182.05333	6.5
182.09349	7.6
183.06438	7.7
184.07103	2.5
187.07495	9.4
187.14719	3.5
189.05440	2.5
189.09050	2.3
190.06207	2.6
191.06998	16.8
192.07549	12.8
193.08543	6.8
194.09335	8.8
195.06418	6.4
196.07217	3.1
203.06946	3.3
203.10735	1.6
203.17876	2.0
204.07828	2.9
205.08551	11.4
205.15808	3.0
206.09175	1.9
209.08026	1.6
210.08765	7.6
216.07846	1.7
217.08507	10.0
218.09206	2.2
219.10126	3.4
220.10760	3.2
221.08069	8.0
221.18831	2.3
223.13283	2.1
223.16887	9.6
224.06764	3.1
231.09987	1.6
235.09662	6.2
241.17896	3.4
249.11163	22.9
274.06604	1.6
384.15411	2.3
385.16339	2.3
387.14096	1.6
389.15842	1.9
402.16730	2.3
420.17661	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.2
55.01848	0.6
57.03423	3.5
61.02895	0.3
69.03417	9.9
71.04956	1.6
71.94376	0.5
73.02892	0.7
78.03432	9.7
79.05463	0.4
80.04997	1.6
81.02934	0.6
81.03397	17.2
83.28124	0.4
85.02895	7.5
92.08983	1.4
96.04474	2.1
97.02877	3.9
98.54921	0.4
99.04438	3.1
103.05502	0.4
105.07014	8.2
106.02897	49.1
107.04945	0.5
109.02863	8.2
115.05422	1.7
117.05460	0.7
117.07016	0.5
119.60980	0.3
123.04372	0.5
124.03926	100.0
125.10838	0.3
127.03895	3.8
132.59898	0.4
133.06461	7.8
145.06467	0.7
157.06465	0.6
161.05943	14.2
166.04942	0.5
167.06996	3.2
177.67458	0.5
186.09891	0.4
190.06151	0.5
193.08559	5.8
205.08588	0.9
207.06599	0.5
223.00655	0.5
232.06029	1.6
233.04398	0.7
250.07043	8.4
251.09134	2.1
261.07480	0.8
268.08099	37.8
293.10324	0.5
307.08118	2.1
345.03763	0.5
385.11179	2.6
420.14890	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	420.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
54.27952	0.3
55.01856	0.5
55.05505	1.0
57.03428	1.8
60.04533	0.4
67.05488	1.8
69.03415	9.9
69.07051	1.0
71.04975	1.5
73.02895	1.3
79.05475	1.0
80.04994	0.8
81.03397	14.8
81.07040	2.8
83.08619	0.4
85.02888	9.6
85.06506	0.8
87.04453	0.9
91.05461	100.0
92.69723	0.4
93.07020	1.9
95.04955	0.8
95.08597	4.0
97.02870	13.2
97.10138	0.5
99.04436	5.3
105.03394	2.1
105.07023	2.1
107.04967	0.7
107.08595	1.8
108.04451	5.8
109.02868	10.1
109.06529	0.4
109.10154	2.0
111.08070	0.4
113.89886	0.3
115.03941	0.6
119.08587	2.2
120.08862	0.5
121.10110	1.5
123.07994	0.4
123.11669	0.7
126.05480	1.7
127.03887	12.3
129.72789	0.4
133.10115	0.7
135.08086	0.4
136.90031	0.4
137.05965	4.7
143.08528	0.6
145.04950	6.5
145.10117	0.5
147.11757	0.6
149.13232	0.5
157.10040	0.4
159.11711	0.4
161.13174	0.5
175.38608	0.5
177.93787	0.4
203.17981	0.9
204.18317	0.7
209.08112	0.7
221.19044	0.6
222.19319	0.7
263.09091	7.8
280.11670	0.7
281.10117	1.9
328.41504	0.4
349.23450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
57.07057	0.3
63.66008	0.3
89.58734	0.3
92.08804	0.9
92.09317	0.4
99.00769	0.6
99.04442	4.3
111.04409	3.8
125.05968	11.4
128.15204	0.3
141.05420	3.6
145.03114	0.3
153.05449	100.0
164.01161	0.4
242.84012	0.3
419.35117	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	419.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10887	0.8
52.80715	0.8
53.00284	0.9
53.03930	2.0
54.05378	0.7
55.01866	1.2
55.05505	9.8
57.03421	1.1
57.07059	2.1
58.60507	0.8
59.04987	1.2
67.05492	11.8
69.03407	2.1
69.07044	8.3
70.31528	1.1
71.04964	16.1
73.06489	1.0
79.05469	25.0
81.03367	2.4
81.07036	100.0
83.08589	6.1
85.02886	9.7
85.06519	2.3
91.05456	10.0
92.08981	6.2
93.07018	34.7
95.04925	3.6
95.08578	22.1
97.02883	2.4
97.06526	1.8
97.10160	1.2
99.08066	4.1
105.03381	16.6
105.07013	23.2
106.03678	9.6
107.07867	2.2
107.08572	48.1
109.02824	1.5
109.06484	1.9
109.10143	21.9
117.06991	1.5
119.08559	40.7
121.10111	6.7
123.04401	1.6
123.11670	12.5
124.04745	1.3
125.09618	4.3
127.03830	1.5
127.11182	7.6
129.06871	1.2
131.08530	1.1
133.10097	22.9
135.11658	60.7
137.06059	1.3
137.13234	4.8
139.11107	1.2
141.12700	1.1
143.10635	4.9
145.10161	1.3
147.11659	16.5
149.13210	2.0
153.12715	5.1
159.11671	1.6
161.13188	8.8
163.14877	1.9
167.07021	3.7
175.14738	1.2
177.05513	1.4
181.04858	3.8
203.17888	26.4
221.18945	17.0
250.07924	2.3
268.08987	1.9
315.08371	1.2
335.86987	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01851	1.0
55.05502	10.8
57.03430	1.8
57.07067	2.0
59.05002	1.2
61.02929	1.3
67.05495	10.9
69.03408	3.6
69.07047	12.1
70.37561	0.9
71.04978	14.4
79.05479	24.4
81.03422	3.5
81.07042	100.0
83.08611	5.2
85.02895	9.6
85.06528	2.3
91.05475	10.4
92.09055	4.0
92.63542	1.0
93.07027	35.6
95.04971	4.5
95.08591	25.5
96.21630	1.0
97.02872	2.3
97.06513	1.5
97.10149	1.5
99.08092	2.3
105.03384	20.3
105.07018	27.3
106.03712	7.6
107.04897	1.0
107.08585	57.7
109.02866	1.5
109.06510	1.4
109.10149	22.2
117.06996	4.0
119.08564	41.9
121.10146	8.6
123.04380	1.9
123.11674	13.1
125.09645	5.2
127.03948	2.0
127.11149	8.8
131.08572	1.0
133.10115	25.0
135.11674	71.3
137.05978	1.0
137.13261	4.8
141.12830	1.4
143.10684	7.3
145.10127	3.8
147.11676	16.0
149.13295	1.3
153.12703	3.9
159.11690	1.2
161.13216	8.3
163.14809	1.7
173.05931	1.2
175.14859	2.0
177.39677	1.1
181.05147	1.2
203.17934	21.6
207.11861	1.0
221.18983	17.7
250.07968	3.7
258.72519	1.0
268.08917	2.1
270.16608	1.3
411.20755	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.6
53.03924	0.9
54.82425	0.5
55.05508	5.6
57.07054	1.3
57.41586	0.5
59.04991	0.8
59.21361	0.5
62.96465	0.5
65.03926	0.6
67.05492	6.3
69.03405	2.5
69.07053	8.0
71.04977	17.5
79.05473	20.2
81.03381	0.9
81.07040	100.0
82.07342	0.8
83.08597	3.3
85.02880	4.8
85.06516	3.6
85.50266	0.5
91.05451	7.4
92.08729	0.7
93.07022	30.6
95.04939	1.0
95.08585	17.6
97.02886	1.0
97.06513	2.8
97.10152	2.3
99.08082	2.7
105.03371	2.1
105.07011	21.4
107.08578	54.4
109.06524	0.7
109.10140	19.7
111.08085	0.9
111.11681	0.8
117.07018	0.9
119.08560	35.2
121.10129	7.3
123.11687	13.0
125.09589	4.6
127.11163	8.1
127.22102	0.5
131.08546	1.4
133.10107	24.8
135.11670	83.4
136.11981	0.8
137.13246	2.8
139.11227	0.9
143.10657	13.5
145.06519	0.9
145.10107	2.7
147.11656	15.5
149.13232	2.5
151.11201	1.1
153.12759	3.0
157.12213	0.7
157.24446	0.6
159.11703	1.4
160.12444	0.6
161.13240	9.1
163.14801	2.6
167.07002	2.3
173.05927	0.8
178.19698	0.6
178.47342	0.7
181.04869	1.1
203.17920	28.2
221.18973	33.5
222.19376	1.1
239.20030	4.7
268.20917	0.6
269.63034	0.6
315.08536	0.8
330.11136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
53.03935	3.3
54.82169	0.3
55.01850	0.4
57.03432	2.7
61.02903	0.6
66.37427	0.3
69.03414	9.8
69.10573	0.2
71.04951	0.6
73.02856	0.4
77.03918	0.5
79.05470	8.5
81.03405	8.0
81.84178	0.3
85.02886	12.7
92.08965	1.2
95.04945	6.3
97.02870	3.5
99.04424	1.9
105.03369	100.0
106.03716	0.3
109.02864	4.7
123.04399	14.2
127.03893	4.2
135.06540	0.3
141.14674	0.3
145.04944	1.2
153.07498	0.7
154.63928	0.3
154.74852	0.3
184.03781	0.3
222.44145	0.4
231.06580	0.6
249.07501	5.2
267.08572	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	419.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01861	5.8
55.05510	17.5
55.05743	1.8
56.96582	1.4
57.03424	10.2
57.07067	6.5
59.04984	2.0
61.02911	9.3
65.03913	1.5
67.05488	45.9
69.03409	19.4
69.07050	34.3
71.04967	15.3
72.04485	3.0
73.02907	3.4
79.05470	33.2
81.03405	12.2
81.07034	93.7
82.97420	1.3
83.04966	7.8
83.08604	16.5
85.02885	47.7
85.06522	40.5
85.07005	2.0
87.04473	2.4
91.03930	1.6
91.05458	27.5
92.09227	5.6
93.07018	64.4
94.07363	2.1
95.04939	7.3
95.08580	62.2
96.08930	6.6
97.02848	15.5
97.06477	13.0
97.10143	2.2
99.04436	3.2
99.08077	7.1
101.39234	1.5
103.05455	1.7
105.03386	21.9
105.07003	31.7
107.04944	2.9
107.08571	52.5
108.08885	1.9
109.02860	6.8
109.06530	2.1
109.10133	37.2
110.10479	2.5
111.08078	9.0
115.05452	1.9
117.07026	11.7
119.08562	26.4
120.08905	2.4
121.06473	2.3
121.10110	41.9
123.04415	1.9
123.08083	2.1
123.11681	25.8
127.03910	8.5
129.06947	2.1
131.08534	13.1
132.32176	1.4
133.10101	33.3
134.10445	5.7
135.11670	19.5
136.12032	5.1
137.13261	6.3
139.11189	8.0
145.04979	6.0
145.06436	2.4
145.10086	3.5
147.11646	24.8
148.11996	2.8
149.13239	35.7
156.05757	1.9
157.12225	16.0
159.11639	17.1
161.13235	6.3
165.12704	3.2
167.07013	15.3
168.07352	1.6
169.07428	1.9
169.09996	2.4
173.05972	7.5
175.14766	14.7
176.15239	11.4
177.12730	6.8
177.16367	6.0
180.08644	8.0
181.04976	2.9
186.12967	1.7
190.06219	2.3
191.06992	1.9
191.20923	1.4
193.15842	30.8
194.16150	22.2
195.13754	34.3
200.69539	1.4
203.17929	18.4
204.13719	5.5
204.18277	7.5
205.08524	6.0
213.14769	2.1
217.08611	5.7
221.18932	15.5
222.14798	12.3
239.16313	3.5
239.20001	10.0
240.15877	100.0
257.21045	10.6
315.08588	5.3
353.40033	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
53.03744	0.2
53.03936	3.2
54.60905	0.2
55.01865	0.3
57.03427	2.9
61.02916	0.5
69.03413	10.2
71.04971	0.3
73.02888	0.6
77.03910	0.4
78.93605	0.3
79.05472	10.3
79.05900	0.5
81.03396	9.6
85.02889	13.8
87.85978	0.2
92.08926	1.2
95.04942	6.0
97.02882	4.1
99.04439	2.8
102.12891	0.2
105.03372	100.0
106.03699	0.3
109.02868	4.1
117.05482	0.3
120.65289	0.3
123.04400	14.9
124.13805	0.3
125.43073	0.3
127.03893	4.6
135.06525	1.0
145.04939	0.6
153.07578	1.3
153.53114	0.3
181.87691	0.3
193.47113	0.3
231.06450	1.1
249.07526	5.7
252.89026	0.3
267.08566	14.3
290.53625	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1334
Annotation	Pinocembrin 5-O-glucoside
Peak:m/z	Relative Intensity
51.02375	0.4
52.17195	0.3
53.03940	0.8
55.01858	0.6
55.05489	1.8
57.03431	3.7
57.07062	0.4
61.02914	2.7
63.79340	0.3
67.01855	1.6
67.05478	2.1
68.99782	0.7
69.03415	6.5
69.07047	1.7
69.64011	0.4
71.04974	1.6
73.02889	0.6
79.05472	3.7
81.03404	4.0
81.07031	5.7
83.01324	0.5
83.08587	0.7
85.02887	20.8
85.06535	0.9
87.04443	0.4
88.51228	0.3
91.03912	0.5
91.05451	3.9
91.90982	0.4
92.09085	2.0
93.07027	2.3
94.68645	0.3
95.04929	1.4
95.08584	4.9
97.02865	5.9
97.06525	0.4
99.04440	0.5
103.03986	0.4
103.04753	0.5
103.05441	14.0
105.03402	3.2
105.07018	3.6
106.06491	0.4
106.07359	0.4
107.04951	2.8
107.08558	3.2
108.29823	0.3
109.02868	2.5
109.06504	0.7
109.10139	3.4
111.07977	0.4
117.06965	0.5
119.08568	2.9
120.08880	0.4
121.02847	2.8
121.10111	1.9
123.04385	2.8
123.08038	0.4
123.11664	0.9
127.03893	2.6
129.06915	0.4
131.04898	41.3
133.10132	2.1
135.04388	0.5
135.11670	2.2
140.73135	0.4
141.01862	0.3
145.04964	1.9
145.06461	0.7
145.10123	0.8
147.11679	2.6
148.05779	0.4
149.02255	0.5
151.03870	2.9
153.01805	84.7
157.10022	0.6
161.13258	0.6
163.03838	1.5
165.01787	6.7
167.07025	2.1
171.02826	4.4
171.42171	0.4
173.05939	2.9
175.14841	0.5
175.19006	0.4
177.01785	2.7
179.03380	0.8
183.02908	4.6
189.01743	0.9
191.03334	4.9
191.06995	1.4
195.02855	14.8
203.17973	2.7
209.00777	0.4
215.03511	0.5
215.06967	0.6
216.30374	0.4
219.02806	3.6
221.19040	1.8
223.89308	0.4
231.02809	5.5
239.20013	2.4
243.02890	0.5
249.03871	1.6
257.08026	100.0
257.21097	0.6
258.08386	1.5
261.03876	2.3
269.07980	6.3
281.07971	3.1
299.09055	3.7
323.09085	4.3
335.09033	2.5
347.09082	0.7
353.10056	0.5
365.10309	0.9
383.11145	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.3
53.03941	6.1
55.01871	1.9
55.05502	1.9
57.03420	1.8
57.07058	0.6
59.04964	0.5
60.07500	0.2
61.02897	0.6
64.51023	0.2
66.65166	0.2
67.05483	2.3
69.03418	8.6
69.07058	2.9
71.04974	3.5
73.02892	1.1
77.03903	0.5
78.22301	0.3
79.05473	11.5
79.64225	0.2
81.03397	16.0
81.07040	11.4
82.23715	0.3
83.04980	0.3
83.08608	1.2
85.02887	10.5
85.06522	2.6
90.33929	0.2
91.05433	2.2
92.08916	0.3
93.07018	5.5
94.07363	0.3
95.04945	9.8
95.08577	6.0
96.08914	0.3
97.02867	8.0
97.06513	1.1
99.04420	2.2
99.08064	1.2
105.03375	100.0
105.07011	4.9
106.07334	0.5
107.04947	1.3
107.08590	5.5
109.02864	7.3
109.06554	0.3
109.10131	5.2
111.08112	0.4
111.11686	0.3
113.09609	1.3
114.72894	0.3
119.08560	5.7
121.10093	3.0
123.04405	9.5
123.08047	0.4
123.11665	3.1
125.09628	0.5
127.03881	4.2
127.10301	0.3
127.11161	1.8
131.08530	0.6
133.10120	3.9
134.10471	0.6
135.11664	5.9
139.11154	0.4
143.10655	0.4
145.04999	1.1
145.06461	0.5
145.10109	0.5
146.10408	0.4
147.11673	3.8
148.11928	0.3
149.13187	0.3
151.11174	0.3
153.12717	2.0
157.12225	0.5
159.07999	0.3
159.11583	0.5
161.05904	0.3
161.13208	1.3
167.06920	1.9
173.05894	0.3
177.05351	0.5
177.16383	0.4
177.70204	0.3
181.04919	1.2
203.17908	4.0
209.08063	0.5
209.19106	0.3
221.15523	0.3
221.18976	3.2
233.75847	0.3
235.07191	0.4
239.20042	1.8
249.07526	14.0
267.08566	5.5
269.08191	0.3
315.08533	0.7
316.61325	0.3
329.09766	0.3
352.13077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.3
53.03941	6.1
55.01871	1.9
55.05502	1.9
57.03420	1.8
57.07058	0.6
59.04964	0.5
60.07500	0.2
61.02897	0.6
64.51023	0.2
66.65166	0.2
67.05483	2.3
69.03418	8.6
69.07058	2.9
71.04974	3.5
73.02892	1.1
77.03903	0.5
78.22301	0.3
79.05473	11.5
79.64225	0.2
81.03397	16.0
81.07040	11.4
82.23715	0.3
83.04980	0.3
83.08608	1.2
85.02887	10.5
85.06522	2.6
90.33929	0.2
91.05433	2.2
92.08916	0.3
93.07018	5.5
94.07363	0.3
95.04945	9.8
95.08577	6.0
96.08914	0.3
97.02867	8.0
97.06513	1.1
99.04420	2.2
99.08064	1.2
105.03375	100.0
105.07011	4.9
106.07334	0.5
107.04947	1.3
107.08590	5.5
109.02864	7.3
109.06554	0.3
109.10131	5.2
111.08112	0.4
111.11686	0.3
113.09609	1.3
114.72894	0.3
119.08560	5.7
121.10093	3.0
123.04405	9.5
123.08047	0.4
123.11665	3.1
125.09628	0.5
127.03881	4.2
127.10301	0.3
127.11161	1.8
131.08530	0.6
133.10120	3.9
134.10471	0.6
135.11664	5.9
139.11154	0.4
143.10655	0.4
145.04999	1.1
145.06461	0.5
145.10109	0.5
146.10408	0.4
147.11673	3.8
148.11928	0.3
149.13187	0.3
151.11174	0.3
153.12717	2.0
157.12225	0.5
159.07999	0.3
159.11583	0.5
161.05904	0.3
161.13208	1.3
167.06920	1.9
173.05894	0.3
177.05351	0.5
177.16383	0.4
177.70204	0.3
181.04919	1.2
203.17908	4.0
209.08063	0.5
209.19106	0.3
221.15523	0.3
221.18976	3.2
233.75847	0.3
235.07191	0.4
239.20042	1.8
249.07526	14.0
267.08566	5.5
269.08191	0.3
315.08533	0.7
316.61325	0.3
329.09766	0.3
352.13077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.3
53.03941	6.1
55.01871	1.9
55.05502	1.9
57.03420	1.8
57.07058	0.6
59.04964	0.5
60.07500	0.2
61.02897	0.6
64.51023	0.2
66.65166	0.2
67.05483	2.3
69.03418	8.6
69.07058	2.9
71.04974	3.5
73.02892	1.1
77.03903	0.5
78.22301	0.3
79.05473	11.5
79.64225	0.2
81.03397	16.0
81.07040	11.4
82.23715	0.3
83.04980	0.3
83.08608	1.2
85.02887	10.5
85.06522	2.6
90.33929	0.2
91.05433	2.2
92.08916	0.3
93.07018	5.5
94.07363	0.3
95.04945	9.8
95.08577	6.0
96.08914	0.3
97.02867	8.0
97.06513	1.1
99.04420	2.2
99.08064	1.2
105.03375	100.0
105.07011	4.9
106.07334	0.5
107.04947	1.3
107.08590	5.5
109.02864	7.3
109.06554	0.3
109.10131	5.2
111.08112	0.4
111.11686	0.3
113.09609	1.3
114.72894	0.3
119.08560	5.7
121.10093	3.0
123.04405	9.5
123.08047	0.4
123.11665	3.1
125.09628	0.5
127.03881	4.2
127.10301	0.3
127.11161	1.8
131.08530	0.6
133.10120	3.9
134.10471	0.6
135.11664	5.9
139.11154	0.4
143.10655	0.4
145.04999	1.1
145.06461	0.5
145.10109	0.5
146.10408	0.4
147.11673	3.8
148.11928	0.3
149.13187	0.3
151.11174	0.3
153.12717	2.0
157.12225	0.5
159.07999	0.3
159.11583	0.5
161.05904	0.3
161.13208	1.3
167.06920	1.9
173.05894	0.3
177.05351	0.5
177.16383	0.4
177.70204	0.3
181.04919	1.2
203.17908	4.0
209.08063	0.5
209.19106	0.3
221.15523	0.3
221.18976	3.2
233.75847	0.3
235.07191	0.4
239.20042	1.8
249.07526	14.0
267.08566	5.5
269.08191	0.3
315.08533	0.7
316.61325	0.3
329.09766	0.3
352.13077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0967
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
54.20828	0.1
57.03424	1.0
61.02911	1.9
65.98727	0.1
67.05476	0.2
68.99760	0.5
69.03406	0.8
69.07052	0.2
70.07370	0.1
71.01314	0.7
73.02895	16.9
79.05465	0.6
81.03379	0.5
81.07028	0.5
81.47169	0.1
83.04943	0.2
85.02889	1.4
85.06564	0.2
91.05416	0.1
92.08908	0.5
95.08575	0.5
97.02857	0.2
99.45258	0.1
101.76195	0.1
105.03370	3.4
105.07021	0.2
106.03696	0.6
107.04932	0.7
109.02836	0.6
111.00774	0.8
111.04411	0.2
115.03893	0.7
119.08540	0.1
121.02841	3.6
123.04366	0.3
127.03855	0.2
129.06993	0.2
133.02817	0.6
133.10059	0.2
137.02325	1.2
141.06963	0.1
145.06464	0.3
147.04379	0.8
153.01799	5.9
157.06473	0.3
159.07961	0.1
161.05898	0.3
165.01796	2.6
167.06989	0.6
171.04385	0.2
183.02852	1.5
185.05907	0.8
189.05397	0.2
194.02046	0.1
203.06937	0.3
213.05450	1.9
217.08618	0.1
231.06522	0.7
241.04893	1.4
250.07899	0.2
258.05139	1.8
259.05905	0.5
267.08603	0.3
269.04346	0.2
287.05429	100.0
288.05753	0.7
315.08582	0.3
330.10809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92370	1.6
53.03948	1.6
55.05509	17.3
57.07061	3.1
58.91912	1.6
63.02981	2.2
67.05487	27.4
69.07054	20.2
71.04984	17.2
76.44713	1.8
79.05473	26.2
81.07040	99.0
82.87963	2.0
83.08611	7.6
85.06540	2.6
91.05466	27.3
92.09107	3.7
93.07022	100.0
95.04960	2.9
95.08588	60.8
97.06537	2.0
97.10157	2.7
105.07011	51.9
107.08575	61.3
109.06501	11.0
109.10139	30.1
111.08061	9.4
117.07002	8.6
119.08556	67.5
121.10119	50.4
123.11688	13.6
125.01413	2.3
131.08545	19.7
133.10109	21.1
135.11674	25.2
137.09662	3.0
142.07774	2.8
143.08528	4.6
145.10100	20.8
147.11691	13.3
149.13237	30.3
157.10110	9.7
159.11667	31.4
161.13237	12.1
163.14821	13.1
171.11638	3.6
173.13234	12.4
175.14815	2.8
177.12808	2.6
185.13240	2.9
187.14801	12.4
191.17914	21.1
201.16408	7.9
201.40651	2.1
211.14821	2.4
215.17975	2.9
227.17975	2.9
229.19507	2.1
257.22577	2.7
283.24182	3.9
296.90631	2.0
323.27243	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	418.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01858	1.7
55.05497	10.7
57.07068	3.2
59.04993	1.7
67.05487	15.5
69.03406	3.1
69.07047	10.1
70.06565	2.4
71.04973	2.9
79.05468	24.8
81.07033	25.7
83.04970	1.7
83.08588	2.4
87.99342	1.3
90.51716	1.3
91.05456	36.0
93.07024	42.3
95.04950	14.5
95.08040	2.2
95.08562	15.8
101.85442	1.5
103.05436	2.4
105.07012	100.0
106.07807	2.3
107.04980	2.2
107.08570	37.8
109.06500	71.0
109.10132	14.0
111.08045	9.5
115.05420	5.8
117.07005	25.7
118.07867	1.6
119.08564	64.4
120.09343	2.9
121.06486	7.6
121.10110	21.3
122.07275	3.4
123.08041	8.8
128.06227	12.5
129.06987	21.2
130.07774	11.1
131.08543	38.5
133.06512	2.5
133.10117	33.2
134.10883	1.9
135.08043	10.1
135.11690	8.2
137.09589	19.9
141.06970	8.3
142.07756	28.9
143.07542	2.6
143.08545	41.0
144.09299	14.2
144.19487	1.7
145.06509	3.2
145.10092	55.6
147.08023	11.0
147.11664	12.7
149.09607	6.7
151.11232	1.7
153.06953	2.8
154.07776	2.4
155.08504	17.1
156.09332	18.7
157.10101	43.3
158.10889	5.7
159.08009	3.4
159.11673	23.8
161.09616	7.4
161.13264	2.2
165.06970	8.3
166.07709	3.1
167.08536	8.8
168.09320	7.7
169.10081	19.0
170.10854	8.2
171.11630	25.6
172.12430	2.7
173.09564	3.3
173.13234	11.6
175.11157	5.9
178.07680	2.4
179.08534	9.5
180.09296	9.1
181.10138	15.1
182.10852	6.5
183.11711	17.8
184.12506	3.1
185.13237	8.6
187.11205	2.1
187.14790	2.3
192.09273	3.7
193.10083	11.4
194.10921	7.4
195.11649	18.7
197.09668	2.9
197.13206	9.9
199.11212	2.5
199.14845	3.6
201.12674	2.5
205.10066	2.5
206.10847	3.5
207.11630	10.6
208.12511	3.0
209.13295	12.7
211.14819	6.2
213.12653	2.1
220.12421	2.7
221.13251	9.7
223.14825	6.1
233.13225	1.6
235.14720	3.6
237.16301	7.2
307.82266	1.6
356.35052	2.4
357.25616	2.4
385.25110	2.0
418.28546	8.0
418.38831	5.3
419.27728	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	418.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43365	0.7
53.03939	1.1
55.01844	0.6
55.05496	7.9
57.03415	2.7
57.07056	3.9
59.04996	0.7
61.02906	3.6
63.34562	0.6
67.05493	17.5
69.03418	8.6
69.07047	13.3
71.04981	3.1
71.70810	0.7
73.02901	1.1
77.30305	0.8
79.05471	12.9
81.03417	5.7
81.07038	43.5
83.08605	6.0
85.02888	26.2
85.06531	1.8
86.03273	1.2
89.45164	0.7
91.05457	19.0
93.07020	24.4
95.04978	3.2
95.08586	65.9
95.76741	0.8
96.08925	0.8
97.02874	8.2
97.06497	1.7
97.10161	3.8
99.04423	1.9
103.05498	0.8
105.03393	10.0
105.07008	51.9
106.03691	1.7
106.07351	1.0
107.08572	28.8
108.08939	0.8
109.02874	4.1
109.06522	1.5
109.09385	1.6
109.10139	45.6
110.10421	0.8
111.04388	0.8
111.08067	1.1
111.11719	1.0
117.06992	3.4
119.08562	53.8
120.08876	1.2
121.02894	1.1
121.06485	0.9
121.10120	18.4
123.04368	1.1
123.08054	1.5
123.11694	17.6
127.03876	5.9
131.08546	3.3
133.10112	31.0
135.11655	9.2
137.09618	1.6
137.13245	0.9
145.04935	5.4
145.06467	1.0
145.10081	6.8
146.10413	1.0
147.08006	0.8
147.11664	67.1
149.13283	1.8
152.01588	1.0
157.10022	1.1
159.11659	2.8
161.09590	1.1
161.13252	15.3
163.14780	3.0
165.12785	1.9
167.06998	7.3
167.08226	0.8
168.06012	0.7
168.07378	3.6
173.05968	0.9
173.13292	1.5
175.14818	9.3
177.16431	1.3
181.04953	1.7
185.13257	1.7
193.15903	3.0
201.16391	1.0
203.17918	100.0
214.82166	0.8
221.15393	4.6
221.18945	17.8
239.16405	0.9
324.25400	0.8
365.23807	0.9
418.15686	1.2
419.20132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52097	0.8
55.05503	6.2
55.26115	1.0
58.73717	0.8
65.03942	0.7
66.71555	0.9
67.05489	18.7
69.03404	2.2
69.07050	31.9
70.52142	1.0
71.04957	1.2
73.56915	0.9
79.05473	4.0
81.07030	27.2
83.08595	2.4
85.02890	19.7
91.05467	11.8
92.08842	5.8
93.07021	15.6
95.08584	35.0
97.02868	1.8
105.07011	60.6
107.08583	14.2
109.02853	1.7
109.10140	100.0
111.11706	2.0
117.07018	2.4
119.08557	86.0
121.10110	12.5
123.11655	9.6
127.03889	1.2
127.11169	33.7
133.10101	26.6
135.11684	3.9
136.07457	1.1
145.04935	1.6
145.10074	1.5
147.11670	34.8
147.14143	1.0
159.11589	1.2
161.13200	10.7
163.05994	1.8
165.20940	1.1
173.28694	0.9
175.14856	3.5
177.26291	1.0
203.17926	47.5
221.19022	3.9
312.17078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65379	0.3
53.00291	0.4
53.03940	0.5
55.05499	1.5
55.05769	0.3
57.03409	0.5
57.07063	3.9
59.04986	0.6
61.02904	0.8
62.65137	0.3
67.05491	7.9
69.03417	1.7
69.07054	40.0
71.04974	19.0
71.08583	0.3
72.17282	0.3
73.02910	0.4
79.05466	4.2
81.03382	0.6
81.07036	100.0
82.07371	0.5
83.04962	0.6
83.08591	1.4
85.02887	12.7
85.03365	0.7
91.03982	0.4
91.05475	0.8
92.09180	0.4
93.07018	2.6
95.04970	0.5
95.08582	48.2
97.02887	2.2
97.90601	0.3
99.04397	0.4
105.03374	0.3
105.07013	2.5
107.08572	2.0
109.02853	1.5
109.10133	10.2
109.10835	0.5
119.08547	2.3
121.10088	0.8
123.11690	1.6
127.03877	3.4
133.10103	0.7
145.04935	6.3
147.11703	1.6
151.14796	14.6
161.13162	0.6
163.05972	4.5
203.17885	1.5
233.10152	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01855	2.6
55.05508	19.9
57.03430	2.4
57.07061	1.7
61.02907	5.5
63.70815	1.0
67.05492	40.0
67.44631	1.3
69.03413	13.5
69.07056	18.3
79.05476	22.9
81.03413	4.7
81.07039	75.2
82.94643	1.4
83.08598	4.6
85.02892	33.2
91.05459	27.8
92.09090	2.3
93.07027	55.5
95.04948	4.8
95.08587	96.8
97.02869	11.5
97.10165	2.1
99.04462	1.3
102.97790	1.0
105.07014	100.0
107.08578	92.5
107.11391	1.7
109.02862	2.3
109.06500	2.2
109.10145	61.1
117.07028	2.0
119.07706	2.6
119.08562	77.2
121.10108	25.0
123.11665	11.7
127.03873	6.0
131.08524	4.6
133.10117	40.4
135.11676	17.3
145.04932	1.2
145.10115	5.0
147.11674	56.7
149.13242	5.3
151.11131	1.2
152.54353	1.2
159.11623	2.1
161.13205	19.9
163.14706	10.7
173.13362	1.2
175.14827	8.7
201.16386	1.3
203.17918	95.5
221.18916	7.9
238.13321	1.4
327.24121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
55.05505	14.3
57.03427	1.1
57.07060	5.0
57.27131	0.9
59.04996	9.0
65.03930	1.3
67.05491	19.7
69.03416	1.4
69.07056	20.8
70.55556	0.9
71.04980	2.2
75.76550	1.0
79.05479	22.2
81.03387	1.8
81.07040	96.1
82.07381	1.3
83.04986	1.4
83.08585	9.6
85.02895	6.1
85.06538	1.3
91.05468	16.6
92.08691	6.8
92.09348	5.1
93.07021	34.5
95.04937	1.1
95.08588	71.8
96.08917	1.4
97.06507	2.1
97.10162	4.6
99.08079	1.8
103.05434	1.7
105.07018	61.2
107.08579	100.0
109.06509	4.2
109.10146	48.3
111.08035	1.2
117.06974	1.5
119.08563	95.6
121.10122	29.6
123.08054	1.1
123.11697	14.2
125.09602	4.1
131.08542	4.9
133.10106	58.2
135.10651	2.0
135.11673	56.4
137.09610	4.2
137.13242	4.8
137.56133	1.1
139.11212	1.5
145.10118	6.2
147.11668	63.0
149.13231	1.6
151.11177	4.1
159.11674	2.5
159.54942	1.0
160.12363	1.6
161.13229	25.2
163.13530	1.9
163.14803	31.9
165.12758	2.5
167.06982	6.4
168.07300	1.7
175.14822	6.6
177.16370	2.3
191.23035	1.1
193.15855	2.2
203.17924	76.6
221.15479	1.8
221.18993	19.2
255.38710	1.0
396.78766	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
65.69049	0.1
66.67133	0.1
70.06567	0.1
73.06529	0.5
79.05466	0.3
85.02905	0.2
91.05478	0.3
91.08319	0.1
92.09167	0.2
93.07013	0.9
103.05447	4.6
107.04940	1.6
120.08079	100.0
121.08420	0.3
124.03934	0.2
131.04886	2.6
149.05959	1.5
154.94026	0.1
166.08598	25.1
302.16479	0.2
318.46893	0.1
336.14050	0.1
357.90186	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57291	0.5
53.03933	2.3
55.01856	3.9
56.58511	0.5
57.03428	9.4
59.04985	12.9
61.02911	10.3
69.03412	28.1
70.06586	1.1
71.01315	1.2
71.04974	7.1
72.08149	1.0
72.93477	0.6
73.02895	5.5
75.04437	0.7
76.56504	0.6
81.03387	9.4
83.04939	0.9
84.08128	1.5
85.02888	100.0
85.08907	0.6
86.09698	2.9
87.04447	20.4
89.06013	25.3
89.06538	1.3
91.03937	4.6
95.04939	0.6
97.02869	32.1
98.97588	0.8
99.04432	9.4
101.02361	3.6
105.05482	6.1
107.13518	0.6
109.02872	12.7
110.07158	2.3
111.04376	0.6
115.03905	5.0
117.05447	1.3
121.06463	3.0
124.03925	0.7
124.07579	2.8
127.03888	30.0
129.01810	1.1
129.10211	1.0
135.06487	6.5
136.07607	0.8
143.03343	0.6
145.04942	31.9
153.07539	4.0
157.01297	4.8
163.05971	10.8
166.04892	0.8
173.13574	0.7
189.03841	6.0
203.05492	1.0
207.05016	3.1
239.11278	3.0
249.09708	3.8
261.09625	0.7
317.25348	0.6
323.17715	0.6
323.21967	0.7
325.11182	1.4
365.14465	2.8
383.15363	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	418.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03944	3.5
56.24331	0.2
57.03427	1.3
59.76959	0.2
60.01278	0.2
61.02889	0.2
69.03415	7.2
70.23878	0.2
71.01328	0.5
71.04969	1.5
77.03891	0.4
79.05468	5.4
81.02115	0.3
81.03397	13.3
81.03874	0.5
85.02884	10.3
87.29950	0.2
92.09178	0.9
95.04952	4.1
97.02264	0.3
97.02870	7.3
99.04436	4.9
103.03889	0.4
105.03371	100.0
106.03714	0.5
109.02143	0.3
109.02863	9.0
109.03609	0.3
117.05480	0.3
123.04401	12.2
127.03889	6.7
145.04944	1.1
165.05467	0.2
194.18562	0.2
214.01747	0.2
230.59592	0.2
231.06564	0.8
249.07524	24.2
267.08575	21.4
275.10406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99772	0.3
53.00315	0.5
53.03941	6.3
53.13689	0.4
54.81756	0.4
55.01860	0.7
55.05494	2.8
57.03423	2.2
59.45839	0.4
61.02915	1.1
63.06404	0.4
67.05489	5.1
69.03413	10.0
69.06709	0.8
69.07059	13.1
71.04987	0.6
71.08626	0.5
77.93199	0.4
79.05486	6.7
81.03402	20.0
81.07043	10.5
83.04968	7.6
83.08601	1.7
85.02417	0.9
85.02891	12.4
91.05457	2.9
92.08769	1.0
92.09293	0.9
93.07016	7.8
95.04954	9.7
95.08589	6.9
97.02877	12.6
97.06532	0.9
97.10142	0.5
99.04437	2.7
103.32819	0.5
105.03376	100.0
105.07029	8.0
107.08569	7.0
109.02865	11.8
109.06498	0.6
109.10138	6.4
110.14043	0.5
115.73411	0.4
119.08566	6.7
121.10109	4.0
123.04422	6.4
123.11678	4.8
127.03898	6.8
133.10091	4.9
135.11691	2.3
136.57103	0.5
137.13263	0.4
145.04967	3.4
145.10072	0.6
147.11691	5.3
161.13251	2.6
175.14838	0.7
177.75328	0.5
182.92294	0.4
188.94209	0.6
193.12149	0.5
203.17943	4.6
244.50583	0.6
249.07538	20.5
267.08575	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	418.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03942	3.9
54.17585	0.2
57.03434	1.9
59.04984	0.4
61.02910	0.4
69.03416	7.0
69.03761	0.4
71.04975	1.7
71.65982	0.2
73.02900	1.1
73.15379	0.2
77.03918	0.4
79.05476	4.1
81.02927	0.5
81.03405	15.9
83.04972	1.4
85.02894	5.9
91.05448	0.2
92.08835	0.4
95.04955	4.8
97.02869	7.7
99.04443	4.9
105.03380	100.0
105.72372	0.3
106.03715	0.5
109.02865	8.6
112.32240	0.2
117.05473	5.6
123.04410	7.9
127.03901	5.7
134.84355	0.3
135.80640	0.2
145.04918	1.2
145.10173	0.4
231.06578	0.3
249.07542	18.1
253.99208	0.3
267.08585	11.4
349.77911	0.3
365.12241	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.01855	0.4
55.05496	0.4
57.03425	0.7
57.96162	0.3
63.88830	0.3
69.03413	7.5
71.01335	0.5
71.04970	1.3
73.02890	1.5
79.05467	4.2
81.01319	0.3
81.03397	16.2
83.04955	0.4
85.02883	7.7
92.08982	0.6
95.04960	3.7
97.02865	8.5
99.04433	6.1
105.03373	100.0
109.02858	10.7
117.03371	1.8
117.05472	2.2
123.04400	9.7
127.03897	5.8
145.02806	5.6
149.02325	0.7
177.05421	7.7
231.06586	0.4
249.07513	20.7
267.08585	17.3
296.17255	0.4
312.00049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.03936	4.4
55.01855	0.4
55.05490	0.5
57.03421	1.3
59.67987	0.4
60.38675	0.3
61.02910	0.3
61.80537	0.3
64.75343	0.3
67.05478	1.4
69.03412	7.5
69.07040	0.5
71.04976	2.5
72.56874	0.3
74.07194	0.3
77.03923	0.4
78.59325	0.3
79.05472	14.8
81.03396	14.2
81.07027	3.3
83.04962	0.4
85.02364	0.4
85.02882	11.1
91.05466	1.7
92.08992	0.6
93.07029	3.6
94.07320	0.3
95.04939	7.7
95.08587	2.0
97.02863	8.8
99.04452	1.4
105.03373	100.0
105.06989	3.7
106.06534	95.4
107.04977	0.4
107.08582	4.3
108.08897	0.7
109.02838	7.4
109.06516	0.4
109.10134	1.5
115.05388	0.5
117.07008	0.6
119.08547	2.1
121.10129	1.7
122.10474	0.3
123.04391	9.4
125.09608	1.3
127.03899	4.5
131.04878	0.5
131.08517	0.5
133.10124	2.1
134.05989	74.8
143.10666	0.6
145.04929	1.6
145.10101	1.8
147.11603	0.4
149.13228	0.7
151.11176	0.4
152.07037	13.4
159.11620	0.8
161.13199	0.5
163.07457	0.4
167.07008	3.6
168.07338	1.9
181.04886	2.2
181.34949	0.3
182.05333	0.4
201.16312	0.5
219.17465	1.2
229.68251	0.3
231.06564	0.5
231.11491	0.4
249.07518	8.3
267.08551	6.1
268.64163	0.3
274.95648	0.3
418.15704	0.5
437.78815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	31.7
57.07054	9.2
59.46405	2.0
63.42020	1.8
63.69838	1.8
66.40095	2.1
67.05489	62.3
69.07057	43.7
71.08559	3.2
77.96513	2.2
78.56999	2.1
79.05465	13.4
79.83209	2.0
81.07032	100.0
81.46877	2.4
83.08586	32.2
91.05427	3.2
93.07020	19.2
95.08009	3.8
95.08579	88.2
95.09200	3.0
97.10149	24.6
105.07003	3.2
107.08562	10.2
109.10135	39.4
109.26477	2.5
111.11716	8.0
119.08565	10.0
120.08845	3.0
121.10111	12.1
123.11687	13.6
125.13253	2.8
135.11682	13.7
137.13223	3.5
143.08669	2.3
149.13219	5.5
151.14841	2.5
345.35043	20.1
363.36157	12.3
408.11551	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	417.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.4
55.05499	20.4
57.03423	4.4
57.07060	4.5
58.23788	1.5
61.02910	8.0
64.33600	2.5
65.03913	2.3
67.05498	40.7
69.03419	17.9
69.07051	24.7
71.04967	16.9
77.54848	1.9
79.05469	36.3
79.18099	2.3
81.03397	8.2
81.06596	3.7
81.07038	75.1
83.04945	5.0
83.08607	3.0
85.02887	37.1
85.06548	4.6
91.05469	40.5
92.09008	3.1
93.07020	88.1
95.04935	11.2
95.08586	58.8
97.02885	13.3
97.06504	25.9
97.10129	3.8
99.04436	4.2
105.03383	3.4
105.07011	100.0
107.04958	3.2
107.08576	73.4
109.02855	4.3
109.06499	8.7
109.10146	58.6
111.08068	3.0
115.05435	3.0
117.06988	38.0
119.08559	60.5
121.06505	2.7
121.10123	42.1
123.04391	9.3
123.07992	2.8
123.11681	10.1
125.09626	8.1
127.03928	2.4
127.11143	3.7
129.06982	4.2
130.07782	5.1
131.08531	41.9
133.10109	52.8
134.10440	4.4
135.11671	26.6
137.09595	3.8
139.11154	1.9
143.08568	5.0
143.10648	9.7
144.09285	3.7
145.04951	3.5
145.06526	5.1
145.10106	85.6
147.11656	14.7
149.13252	11.1
151.11176	4.9
152.04732	2.0
157.10144	2.9
159.11679	47.9
161.13217	25.1
163.11122	3.2
167.07004	52.4
169.10117	2.1
173.05969	3.9
173.13246	13.0
175.14790	3.1
181.04906	15.9
191.17891	4.5
201.16342	53.5
201.18159	2.4
205.41405	2.1
219.17368	18.1
237.18349	2.4
242.65993	2.2
371.06714	2.4
387.14331	2.5
417.15707	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	417.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63103	1.6
55.05501	14.2
56.85622	1.8
57.03424	2.0
57.07062	2.3
67.05489	14.0
69.03407	7.5
69.07046	10.4
70.95846	1.6
71.04979	50.5
73.06541	3.6
79.05466	25.6
81.07038	57.4
83.08600	7.6
85.02885	8.8
85.06522	8.5
91.05457	26.5
92.08932	9.3
93.07024	37.4
95.04935	2.8
95.08587	43.3
95.80625	1.9
97.02868	2.2
97.06509	1.8
97.10136	3.7
99.08064	11.9
105.07014	78.7
107.08572	37.3
109.06525	2.5
109.10131	20.3
111.08081	3.4
117.07006	4.2
119.08553	23.8
121.10127	21.1
123.11669	6.6
125.09616	28.6
127.11179	3.0
131.08528	12.6
133.10106	100.0
143.10681	24.5
145.10086	19.3
147.11633	17.0
149.13239	24.5
151.11111	3.2
159.11681	13.8
161.13263	2.7
167.07109	3.0
167.14264	38.8
173.30182	1.9
201.16412	7.6
219.17386	30.8
237.18533	7.8
252.57080	2.0
332.02829	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.05497	15.5
57.07060	8.0
59.04988	3.4
67.05484	14.8
69.03415	11.1
69.07053	14.7
71.04977	44.0
73.06532	3.7
79.05481	26.6
80.55624	1.8
81.03410	1.8
81.07043	48.2
83.04960	3.4
83.08608	7.8
85.02905	13.9
85.06524	12.1
91.05470	27.8
92.09135	7.4
93.07024	38.3
95.04988	2.9
95.08585	39.6
96.37578	1.6
97.02869	2.2
97.06496	8.9
97.10149	2.0
99.08072	13.1
105.03359	2.4
105.07016	81.0
107.06569	1.9
107.08578	45.3
109.10146	24.4
111.70279	1.8
115.05472	2.2
117.07015	10.1
119.08572	24.3
121.06473	2.1
121.10130	26.1
123.11681	4.4
125.09612	25.1
127.07544	3.3
127.11179	7.6
131.04887	2.0
131.08557	12.4
133.10107	100.0
135.11716	3.2
143.10670	26.4
145.10112	19.8
147.11653	17.4
149.13206	23.5
151.11163	7.4
153.12753	2.0
159.11655	13.9
161.13245	8.6
167.07008	34.5
167.14281	36.5
173.06142	2.5
177.12723	2.8
181.04918	4.1
201.16386	14.3
219.17424	40.3
237.18411	9.3
255.19354	2.1
387.14340	2.5
415.17807	2.0
417.15408	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	417.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55758	0.2
53.03930	1.5
54.81417	0.2
55.01863	0.2
55.05503	2.1
57.03419	0.6
57.07061	0.4
61.02907	0.5
63.10950	0.2
65.03922	0.4
67.05502	1.8
69.03414	12.4
69.07042	1.3
70.30385	0.2
71.04967	1.0
77.03908	0.3
79.05479	2.9
81.03386	1.0
81.07036	3.7
83.04955	1.9
83.08595	0.3
85.02894	4.5
85.06532	1.0
91.05456	1.2
91.07334	0.2
92.05754	0.3
92.08828	0.3
93.07014	3.9
94.07337	0.3
95.04951	4.9
95.08594	3.6
97.02879	3.9
97.06508	0.9
97.10126	0.3
98.97570	0.2
99.04435	1.1
103.05428	0.5
105.03372	100.0
105.06985	3.6
107.04935	1.4
107.08575	3.0
109.02873	2.2
109.06469	0.3
109.10128	2.0
110.06793	0.3
111.04463	0.3
111.08061	0.3
113.09625	0.6
116.04946	1.2
117.06981	1.2
119.08579	2.7
120.08868	0.3
121.10107	2.8
123.04404	2.5
123.08059	0.3
123.11671	0.5
124.05180	0.5
125.09660	0.5
127.03886	6.8
127.10267	0.3
127.11189	1.0
131.04901	0.4
131.08537	1.0
132.08856	0.3
133.10080	1.0
135.11650	1.0
139.11032	0.2
145.04941	1.0
145.06464	1.3
145.10109	4.2
146.10461	1.3
147.06506	0.2
147.11642	0.3
149.05934	0.2
149.13182	0.3
151.07477	0.3
155.06010	0.4
159.11656	1.9
160.12019	0.3
161.13193	0.5
162.13605	0.4
163.07503	0.4
163.11121	0.3
167.06998	12.1
167.08405	0.5
171.06490	0.5
171.11697	0.3
173.05966	1.7
173.13234	0.3
175.14822	0.5
181.04926	6.2
191.07013	1.5
191.17928	0.4
201.16289	1.8
202.16743	0.6
205.08665	0.3
219.17380	2.8
220.17775	1.3
231.06448	1.9
237.18570	1.0
249.07498	2.9
255.19458	0.3
267.08578	8.6
363.29819	0.2
387.14249	0.5
399.14609	0.3
417.15302	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.154
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03923	0.3
55.01877	0.5
55.05480	0.7
57.03410	0.3
64.60877	0.1
65.03918	1.5
67.05494	2.2
69.03391	0.9
69.07039	1.0
71.04971	0.7
78.04691	2.8
79.05480	3.1
81.03381	0.7
81.06611	0.2
81.07039	3.9
82.04176	0.3
83.04958	0.3
83.08591	0.2
85.02897	1.8
85.06509	0.4
91.05465	2.4
92.09145	1.5
93.03391	0.3
93.07026	3.5
94.04203	0.2
95.04953	1.7
95.08585	2.5
96.05686	0.3
97.02850	0.4
97.06504	1.2
97.10113	0.3
103.05427	1.2
105.03366	2.0
105.04462	0.2
105.07015	4.9
106.04209	1.9
107.04963	1.3
107.08575	3.0
109.02826	0.4
109.06469	0.8
109.10130	2.1
110.03637	0.6
111.04438	0.2
111.08041	0.2
115.05448	3.6
117.06991	7.4
119.04866	0.2
119.08562	2.7
121.02823	0.2
121.06458	0.2
121.10127	1.8
122.03615	0.3
123.04408	9.6
123.07996	0.3
123.11706	0.2
124.05184	3.5
125.05964	0.7
125.09610	1.2
127.05409	0.9
129.06989	0.2
130.07724	0.2
131.04868	0.3
131.08528	1.6
133.10101	1.9
134.03635	0.3
135.04376	0.4
135.07990	0.3
135.11667	0.9
137.05965	0.6
137.09627	0.3
138.03073	0.4
139.07487	0.2
142.02522	0.3
143.04849	0.4
143.08534	0.3
143.10635	0.8
144.05681	0.2
144.09373	0.2
145.06465	10.5
145.10098	3.6
147.04364	0.3
147.08017	0.7
147.11621	0.9
149.13257	0.3
151.03900	1.5
151.04944	0.2
151.11159	0.2
152.04677	2.4
153.05412	0.3
155.04890	0.3
155.06033	3.8
156.79918	0.2
157.10130	0.2
159.11633	1.6
161.13205	1.2
167.07004	100.0
171.06502	1.5
173.05949	15.0
173.13190	0.7
175.07468	0.2
179.37849	0.2
181.04922	16.7
186.56905	0.2
201.05467	0.7
201.16339	2.0
205.08568	2.9
219.17456	1.3
221.05966	0.2
233.08011	3.0
235.09639	2.0
237.18488	0.9
255.19531	0.2
337.23407	0.2
387.14294	8.9
417.15366	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	417.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01852	0.2
57.03417	0.9
61.02922	0.2
69.03065	0.3
69.03415	5.4
71.04983	1.1
77.03919	0.4
79.05468	3.6
80.35139	0.2
81.03398	18.9
82.21387	0.2
85.02888	5.5
92.08923	0.3
95.04946	5.1
97.02870	9.6
99.04433	2.8
105.03372	100.0
109.02859	9.4
116.04945	3.2
123.04392	6.4
127.03886	6.3
145.04933	1.5
191.21179	0.2
231.06375	0.2
249.07515	24.1
267.08557	7.9
342.28192	0.2
410.67950	0.2
410.90326	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1539
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
53.03933	0.5
55.01851	1.7
55.05489	2.1
56.96545	0.6
57.03425	0.4
65.03929	4.2
67.05492	3.9
69.03409	2.3
69.07041	2.1
71.04965	0.6
73.02872	0.4
78.04697	3.5
79.05062	0.4
79.05476	7.1
81.03400	0.6
81.07038	4.9
82.04164	1.5
83.04960	1.9
83.08591	0.6
85.02875	5.1
85.06514	2.1
91.05465	3.9
92.08858	0.8
93.03365	0.7
93.07024	4.2
94.07320	0.4
95.04953	4.7
95.08584	5.3
96.05768	0.4
97.02855	2.3
97.06498	2.2
97.42329	0.4
99.04441	0.5
99.08057	0.4
101.06049	0.4
103.05453	7.5
105.03370	3.2
105.07010	4.8
106.04148	1.8
106.07301	0.5
107.04937	8.4
107.08566	3.4
108.02068	0.7
109.02849	0.5
109.06480	0.7
109.10131	3.3
109.71861	0.4
110.03625	2.4
111.04401	1.5
111.08052	0.6
111.92385	0.4
113.09641	1.8
115.05423	5.5
117.06991	9.3
118.04121	2.4
119.04921	0.7
119.08530	4.0
121.06485	0.8
121.10140	3.0
122.03578	0.5
123.04411	8.3
123.11697	0.7
124.05205	4.8
125.05959	2.0
127.05405	1.9
129.06981	0.6
130.04144	0.5
131.04904	5.5
131.08545	2.2
132.05676	0.6
133.06430	1.5
133.10098	1.7
134.03688	0.6
135.08002	0.5
135.11627	0.8
137.05978	0.5
138.03093	0.9
142.02602	1.4
144.05659	0.5
145.05264	0.7
145.06453	11.8
145.10124	5.8
146.10429	0.9
147.04378	0.7
147.07991	0.7
147.11679	0.7
148.05199	4.5
149.05943	0.7
149.13208	0.5
151.03894	1.0
152.04686	3.1
153.05446	0.6
155.05977	3.4
156.05646	0.4
157.10167	0.6
159.11667	2.2
161.05977	0.8
163.07501	6.4
167.07002	100.0
171.06506	3.6
173.05963	15.3
173.13272	0.4
175.07544	0.7
176.04684	0.7
181.04919	43.4
191.07002	13.0
195.06534	0.7
197.13364	0.4
201.05493	0.4
201.16354	3.0
202.16638	1.6
205.08521	3.1
218.57481	0.4
219.17404	1.6
233.08057	2.7
235.09641	1.5
237.18456	2.5
263.09122	0.7
283.12167	0.4
300.46622	0.4
307.09811	0.5
336.10294	0.5
340.81754	0.4
358.93887	0.4
361.16757	0.4
371.14627	0.4
381.13135	0.5
387.14200	5.6
398.02576	0.4
417.15323	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	417.1541
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
53.03925	1.0
55.01846	2.1
55.05482	2.5
57.03406	0.6
57.07063	0.7
61.02871	0.6
65.03927	5.5
66.04678	0.7
67.05498	5.8
68.94421	0.4
69.03403	2.1
69.07037	2.8
69.96963	0.4
78.04682	3.6
79.05470	7.5
81.03384	0.8
81.07037	7.5
82.04156	2.7
83.04956	1.0
83.08588	0.9
85.02889	7.0
85.06496	1.0
86.98537	0.4
87.72708	0.4
91.05456	8.1
93.03365	1.1
93.07019	6.5
94.07355	0.5
95.04940	6.2
95.08586	7.6
97.02883	0.8
97.06483	2.9
99.04440	0.6
102.04691	0.6
103.05447	25.6
105.03383	3.8
105.06359	0.7
105.07013	14.9
106.04134	1.9
106.07324	0.9
107.04929	9.3
107.08561	6.3
108.02072	0.7
108.08935	0.5
109.02843	1.0
109.06473	2.0
109.10136	3.4
110.03624	2.9
111.04385	0.9
111.08110	0.6
115.05434	5.5
117.07002	10.5
118.04135	5.7
119.04911	2.2
119.08578	7.2
120.05695	0.7
120.08844	0.5
121.06480	1.7
121.10094	3.5
122.03603	0.7
123.04408	7.8
123.11648	0.9
124.05172	4.2
125.05956	2.9
125.09453	0.6
127.05379	0.5
129.06996	1.1
130.04123	1.8
130.07790	0.7
131.04904	19.9
131.08563	4.0
132.05675	1.1
132.08897	0.9
133.02797	2.1
133.06456	5.3
133.10107	7.5
134.03595	2.0
134.10405	2.6
135.04396	0.8
135.08037	2.0
135.11638	1.8
137.05930	2.4
138.03056	2.9
142.02626	1.7
143.04837	0.8
144.05722	0.5
145.06473	13.2
145.10107	8.6
146.03606	1.9
146.10378	0.7
147.04362	1.1
147.08031	1.1
147.11632	1.1
148.05179	17.2
149.05978	1.9
149.13225	0.9
151.03871	2.0
151.07492	0.5
152.04652	3.8
153.05426	2.2
153.12755	1.9
155.04858	0.7
155.05989	3.7
159.08015	0.9
159.11635	4.8
160.11992	1.9
161.05917	2.7
161.13214	0.8
163.07501	22.1
163.11171	0.5
165.05424	0.7
165.09108	1.5
166.02539	0.5
166.69159	0.4
167.06998	100.0
171.06508	5.3
173.05940	14.5
173.13205	0.9
175.07497	1.8
175.14784	0.7
176.04651	2.4
179.06993	0.6
181.04921	65.6
187.07451	1.0
191.06990	52.7
193.08574	0.6
195.06537	0.5
201.05559	0.7
201.16333	6.9
202.16724	1.8
203.07008	0.5
205.08601	3.0
207.06482	0.5
209.08063	0.6
217.08684	0.6
219.08138	0.6
219.10010	1.5
219.17365	4.2
220.17825	0.5
233.08044	4.0
234.06664	0.5
235.09601	3.7
237.18459	1.0
263.09106	3.4
264.07840	0.5
295.09509	0.5
307.10007	0.5
309.07523	0.5
325.10239	0.5
357.13245	0.7
385.12756	1.0
387.14246	7.0
417.15356	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	417.1537
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
50.77402	0.1
53.03936	0.7
55.01845	0.3
57.03423	0.2
57.48168	0.2
60.78332	0.2
61.62299	0.2
63.54844	0.2
63.91642	0.2
64.19032	0.2
65.03905	1.4
66.04693	0.3
67.05479	0.9
69.03394	1.3
71.04958	0.8
71.94252	0.2
78.04700	2.7
79.05470	2.0
81.03395	1.8
81.07027	0.9
82.04170	0.4
85.02901	2.4
91.05421	1.6
92.08875	0.2
93.03380	0.2
93.07008	0.5
94.04158	0.2
95.04961	1.9
95.05482	0.3
96.05716	0.4
96.19716	0.2
97.02849	0.8
97.06481	0.9
103.05409	0.5
105.02689	0.4
105.03372	10.3
105.04446	0.4
105.06985	1.2
106.04174	2.3
107.04962	1.7
109.02847	0.9
110.03627	0.4
115.05434	3.6
117.06998	7.4
119.08572	0.3
121.10089	0.3
123.03519	0.4
123.04404	9.9
124.05173	3.5
125.05959	0.5
127.03922	0.4
127.05374	1.5
130.03986	0.3
131.08611	0.2
133.10080	1.1
134.03639	0.4
135.78201	0.2
137.05981	0.4
138.02998	0.2
142.02641	0.3
143.04865	0.3
145.06467	12.0
147.08031	0.4
151.03862	2.0
152.04659	2.7
153.05429	0.4
155.04883	0.4
155.05998	3.4
167.06996	100.0
168.07384	0.3
171.06429	1.6
173.05946	15.5
175.07495	0.3
181.04916	17.5
188.71425	0.2
189.62225	0.2
201.05397	0.3
205.08556	3.2
233.08055	3.3
235.09679	1.4
249.07530	1.2
267.08554	0.9
292.12524	0.2
292.16550	0.2
341.84543	0.2
342.06097	0.2
387.14337	7.8
417.15332	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	416.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.1
50.22610	0.0
51.02367	0.3
53.00294	0.1
53.03933	1.8
55.01855	0.4
55.05494	0.6
57.03420	1.1
57.07058	0.2
61.02907	0.3
65.13850	0.1
67.05478	0.6
68.02604	0.1
69.03408	6.7
69.07055	1.1
71.01311	0.1
71.04972	1.1
73.02901	0.5
77.03888	0.6
78.58366	0.1
79.05468	3.2
81.03393	18.2
81.07025	1.1
83.01301	0.1
83.04958	0.8
83.08607	0.1
85.02882	6.0
87.04424	0.1
89.03905	0.1
91.05436	0.3
92.08969	0.1
93.07022	1.1
95.04315	0.1
95.04940	5.3
95.08575	2.4
97.02861	10.7
97.06490	0.3
97.10120	0.1
99.04427	2.7
101.02348	0.1
105.03364	100.0
105.06992	1.1
107.04933	0.1
107.08559	1.7
109.02850	11.0
109.06496	0.3
109.10126	1.4
111.08110	0.5
116.04951	3.3
117.06978	0.3
119.08556	1.4
121.06485	0.3
121.10110	1.5
123.04395	7.1
123.08005	0.5
123.11663	0.3
125.09625	0.2
126.31791	0.1
127.03882	6.8
131.08533	0.4
133.10077	0.5
135.08012	1.4
135.11620	0.7
137.09576	0.3
139.11095	0.5
143.08449	0.1
145.04930	1.9
145.10091	1.7
147.11636	0.4
149.09619	0.3
151.11203	0.2
159.11638	1.3
161.13170	0.8
163.11089	0.5
167.06870	0.1
173.13184	0.3
175.14775	0.4
177.16336	0.3
191.17918	0.5
195.06445	0.1
201.05411	0.1
201.16327	2.1
207.06552	0.1
219.17387	4.8
231.06569	0.1
237.18457	0.4
243.67427	0.1
249.07506	26.3
267.08557	9.0
349.00558	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	416.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.8
53.03939	4.7
55.01876	0.6
55.05506	3.1
57.03425	1.1
57.07072	1.4
61.02887	0.9
65.03262	0.6
65.18114	0.6
67.05490	12.1
67.50505	0.5
69.03408	10.3
69.07048	7.9
71.04969	1.5
71.08613	0.8
79.05477	9.0
81.03397	23.1
81.07036	19.3
83.04942	0.9
83.08591	1.3
85.02887	13.7
91.05461	13.8
93.07027	15.8
95.04936	6.9
95.08588	18.6
97.02866	12.7
97.06513	0.7
99.04445	1.5
100.11164	0.6
103.05433	0.7
105.03373	100.0
105.07010	51.7
107.08567	17.9
109.02868	10.2
109.06498	4.9
109.10142	13.6
111.08081	0.8
117.07001	9.6
119.08557	32.5
119.29832	0.8
121.06499	1.3
121.10124	9.5
123.04403	8.0
127.03886	7.2
128.06099	0.7
129.06990	3.3
130.07739	6.7
131.08542	24.2
133.10103	19.0
135.11694	5.0
141.30101	0.8
143.08531	3.7
144.09332	4.2
145.04944	1.3
145.10098	71.1
147.11678	1.4
151.23256	0.7
153.01833	1.0
157.10150	1.6
158.10876	2.9
159.11667	33.5
161.13226	17.9
162.36850	0.7
163.11165	0.9
163.14828	2.4
167.07028	1.4
173.13210	20.2
191.14272	5.0
201.16362	29.3
219.17398	13.1
237.14810	0.8
245.36931	0.8
249.07524	22.4
255.06467	30.2
267.08560	9.1
417.15588	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40734	0.3
53.03931	1.9
55.01861	2.4
56.48294	0.3
57.03217	0.3
57.03430	5.6
61.02913	10.1
69.03418	16.7
71.01334	0.4
71.04973	2.6
73.02894	4.8
73.06526	0.8
81.03403	6.8
83.01340	0.4
85.02889	100.0
87.04456	3.3
91.03937	6.1
92.09068	1.3
97.02869	25.0
98.56519	0.3
99.04421	4.6
101.02308	0.5
101.05989	0.6
103.03922	0.7
104.82510	0.4
105.32131	0.3
109.02863	9.5
113.99703	0.3
115.03890	0.8
127.03112	0.4
127.03893	22.9
145.04938	31.3
163.05981	15.2
206.45259	0.4
216.89589	0.4
230.61313	0.4
230.68616	0.4
237.13307	2.6
246.59708	0.4
289.08609	0.4
325.11230	0.9
380.63403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13682	0.4
52.32886	0.4
53.03933	2.3
55.01866	2.4
55.05499	2.8
56.40676	0.4
57.03430	5.6
57.07070	2.1
61.02917	8.6
64.01785	0.4
69.03415	15.4
71.04977	2.7
72.08139	18.3
73.02899	3.3
76.56322	0.5
81.03392	7.7
83.04956	0.4
84.08134	3.3
85.02890	100.0
86.09698	1.1
87.04459	3.1
91.03951	5.7
91.83128	0.5
97.02872	24.5
99.04427	4.6
99.59035	0.5
103.03938	0.6
105.03362	0.5
109.02865	9.2
115.03869	0.6
124.03929	0.5
127.03887	22.4
127.04810	0.7
129.10291	0.8
145.04942	35.1
155.03323	0.5
163.05983	12.7
181.50737	0.5
237.13237	3.5
244.11960	0.5
368.41751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.01851	0.3
55.05495	0.7
57.03415	0.2
61.02913	0.2
65.03917	0.3
65.78128	0.2
65.91071	0.2
67.05494	1.4
69.03419	2.3
69.07059	1.3
70.03735	0.2
71.04984	0.9
73.06535	0.2
74.78027	0.1
77.03933	0.2
79.05047	0.3
79.05474	5.7
80.05828	0.2
81.03400	1.6
81.07052	1.5
83.04950	0.5
85.02890	2.7
91.05463	8.8
92.08788	1.0
93.07021	1.4
94.07299	0.2
95.04942	0.9
95.08607	1.6
97.02868	1.0
97.06521	2.0
99.04425	0.3
105.02690	0.4
105.03375	9.9
105.07010	2.0
105.42506	0.2
106.03699	2.5
107.04951	0.3
107.08601	1.5
109.02852	0.4
109.06502	0.3
109.10153	0.7
111.59290	0.2
117.06970	0.4
119.04921	27.7
119.08538	1.2
121.06493	0.4
121.10134	1.2
123.04429	2.8
123.08024	0.2
123.11727	0.2
127.03883	1.0
129.06969	0.2
131.04889	0.9
131.08539	0.4
133.10112	0.7
135.07990	0.2
135.11697	0.4
142.07713	0.2
143.08540	0.8
145.06476	0.3
145.10107	1.2
147.04393	100.0
147.11716	0.4
148.04732	0.8
149.13121	0.2
157.10149	0.2
159.08063	0.3
159.11668	0.8
165.05423	0.9
167.07011	3.1
171.52342	0.2
173.13254	0.3
175.11168	0.2
175.14896	0.2
181.04913	0.4
217.15926	0.2
219.10236	0.8
219.13760	0.3
219.17442	0.4
237.11369	0.3
237.14735	0.2
249.07518	0.4
250.08086	0.2
267.08597	1.4
268.09073	0.3
287.10260	0.2
309.09579	4.5
310.33707	0.2
386.62723	0.2
387.14267	0.3
417.15393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.0
53.03935	5.5
55.01868	1.0
55.05495	4.0
55.05743	0.7
57.03419	3.6
57.07068	100.0
61.02913	3.1
62.77131	0.7
67.05495	10.2
69.03416	23.4
69.07046	5.0
70.55550	0.6
71.04971	5.6
73.02894	1.1
79.05471	10.3
81.03401	41.5
81.07039	11.7
83.04963	1.6
83.08614	1.0
85.02891	30.1
85.06529	17.1
91.05461	11.3
92.08726	0.8
92.09202	1.2
93.07032	11.6
95.04945	3.1
95.08583	12.0
97.02872	28.2
97.06529	1.4
99.04443	5.1
103.07555	8.0
105.03379	11.6
105.07006	21.8
107.04939	3.9
107.08591	11.2
108.04462	1.3
109.02859	18.8
109.06483	2.7
109.10130	13.0
109.72317	0.8
111.08041	0.9
117.07016	6.8
119.08549	17.8
121.06499	1.0
121.10111	7.3
123.04388	1.6
125.09576	0.8
127.03894	21.5
129.07004	1.2
130.07732	1.3
130.56236	0.6
131.08545	12.2
133.10118	8.9
135.04391	3.3
135.08055	1.3
135.11671	2.5
137.09630	1.1
140.57510	0.6
142.07773	0.7
143.08522	1.6
145.04951	7.8
145.10112	21.0
147.11642	1.4
157.10097	1.6
159.11670	10.3
161.09662	0.8
161.13257	2.9
163.11104	0.9
167.07048	3.2
173.13237	4.3
175.14749	5.1
177.05447	1.0
199.14745	0.9
201.16408	7.8
211.09784	0.9
219.13715	1.0
219.17401	4.4
219.99316	0.7
229.10672	35.2
247.11729	25.9
265.25601	0.8
267.08521	1.6
439.42606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
53.03938	4.6
55.01859	0.4
55.05495	0.4
57.03422	1.1
57.07035	0.3
60.13462	0.2
60.71906	0.2
61.02908	0.3
67.05487	0.6
69.03412	7.3
69.07050	1.8
71.04973	1.3
73.02888	0.5
77.03896	0.4
79.05470	4.6
81.03395	16.8
81.07010	1.6
83.01314	0.3
83.04977	0.4
85.02886	9.4
91.05477	1.3
92.08749	0.9
93.07021	2.1
95.04944	5.1
95.08582	1.3
97.02251	0.5
97.02868	10.3
99.04445	2.6
105.03370	100.0
105.06991	3.8
107.08566	1.7
109.02864	9.4
109.10144	1.3
112.55054	0.3
117.06997	0.4
119.08545	2.7
121.10102	1.0
123.04396	8.5
123.08083	0.3
127.03885	5.7
131.08540	1.8
133.10110	4.8
135.11673	0.3
143.08504	0.2
143.88680	0.3
145.04926	1.6
145.10080	5.5
147.11656	0.5
149.09573	0.3
153.27333	0.3
157.10147	0.4
159.11658	3.5
161.13234	0.4
163.11172	0.5
167.07021	0.2
173.13239	1.0
183.75864	0.3
191.14211	0.3
201.16316	3.2
219.17438	3.2
220.67493	0.3
249.07521	20.0
267.08560	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	416.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.3
53.03939	3.6
55.01878	0.2
55.21801	0.2
57.03416	0.9
60.68782	0.2
61.02911	0.3
69.03414	6.2
71.04613	0.2
71.04964	1.4
73.02902	0.4
77.03914	0.4
79.05475	3.4
81.03399	16.0
81.07043	0.3
85.02885	6.1
92.08949	1.2
95.04943	4.9
95.05511	0.2
97.02872	10.9
97.06509	0.2
99.04426	2.8
105.03374	100.0
106.03718	0.4
107.08573	0.2
109.02861	9.3
123.04413	6.8
127.03890	5.4
133.10112	0.3
145.04924	1.5
151.11209	0.3
151.54874	0.2
176.15955	0.2
204.64984	0.2
222.16573	0.2
224.96056	0.2
231.06493	0.2
249.07532	22.9
267.08569	12.8
299.82919	0.2
372.26495	0.2
415.23090	1.1
416.23453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
54.81809	0.6
55.01864	1.1
55.05497	2.0
56.32920	0.4
57.03421	2.4
57.07065	0.6
59.04995	0.7
61.02921	0.7
67.05484	2.7
69.03416	11.2
69.07047	2.7
70.06590	0.4
71.04968	3.5
71.53687	0.4
79.05470	7.9
81.03400	15.6
81.07041	5.8
83.04980	2.0
85.02896	12.7
85.06518	1.1
87.04466	0.7
91.05463	4.6
92.08749	2.8
92.09371	1.1
93.07039	6.5
95.04946	8.9
95.08584	7.0
97.02867	11.0
97.06507	5.3
98.14146	0.5
99.04420	2.7
99.08060	0.6
105.03374	100.0
105.07002	8.4
106.03700	0.9
107.04929	1.0
107.08575	5.6
109.02858	10.5
109.06508	2.0
109.10146	3.2
111.08034	0.5
113.09629	2.2
117.06996	1.7
119.04948	0.6
119.08535	5.8
121.10061	3.6
123.04410	9.7
123.08054	0.9
123.11720	0.6
125.09589	1.1
127.03870	7.0
131.08536	4.1
132.06535	2.9
133.10100	5.2
135.11732	1.0
137.09602	1.9
142.07741	0.8
143.08551	3.4
143.10678	0.7
145.04964	2.4
145.10107	3.2
147.04364	0.8
147.11676	2.9
149.07097	2.1
149.09581	1.1
149.13188	0.5
151.11176	1.9
157.10124	2.7
159.11624	3.5
161.09570	0.9
163.11206	1.1
171.11646	0.9
173.13165	0.9
175.11096	0.6
175.14784	1.1
176.70677	0.5
177.12697	0.6
181.04922	0.5
189.16348	1.0
199.14801	2.2
217.15842	5.7
235.16890	6.3
249.07506	23.6
250.07893	0.6
253.17854	3.9
267.08575	13.3
314.39499	0.5
415.22940	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.03938	4.3
54.81683	0.4
55.01853	0.9
55.05494	2.7
57.03426	15.8
57.64161	0.4
58.96845	0.3
59.04981	0.5
61.02893	0.7
67.05485	3.7
69.03416	10.9
69.07047	3.5
71.04974	1.8
77.03883	0.6
79.05045	0.8
79.05473	11.1
81.03399	9.9
81.07043	3.6
83.04967	0.9
83.08608	0.4
84.08125	0.8
85.02885	15.4
85.06525	0.7
91.05451	3.8
92.09219	2.0
93.07019	3.4
95.04942	6.6
95.08579	29.6
97.02853	4.5
97.06467	0.5
99.04439	2.0
105.03370	100.0
105.04529	2.5
105.07007	4.6
106.03727	0.5
107.04941	2.2
107.08562	2.9
108.69673	0.5
109.02866	5.2
109.06501	0.5
109.10123	1.5
111.20854	0.4
113.09624	28.4
115.05479	0.4
117.06947	0.5
119.04884	0.7
119.08577	3.7
121.10123	2.3
123.04395	16.1
123.08105	0.5
127.03881	4.7
129.06953	0.8
131.08536	2.0
131.10640	6.6
133.10138	2.3
137.05965	5.4
137.09578	0.6
142.07719	0.7
143.08534	1.0
145.04953	0.6
145.06474	0.8
145.10086	0.8
147.04393	0.5
147.11694	0.5
149.11702	9.2
151.07515	0.5
155.08502	0.4
157.10101	1.7
159.08032	0.6
161.05928	0.7
161.09624	0.5
167.07030	1.9
172.08783	0.5
173.13235	0.5
173.52856	0.4
181.04959	1.8
185.09599	0.6
187.07535	0.6
191.06941	0.5
197.09496	0.9
199.14807	1.9
213.09114	2.2
217.15892	2.0
219.03880	0.4
225.08960	0.7
235.16910	0.8
243.10233	0.6
249.07431	4.4
253.18018	0.7
267.06030	0.6
267.08575	12.3
273.11240	4.0
307.09381	0.5
333.46381	0.5
397.16452	4.9
415.23001	0.8
416.27527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01862	2.4
55.05511	5.1
56.96561	1.0
57.03424	6.4
57.07078	0.6
59.04982	0.6
61.02914	8.7
68.84981	0.4
69.03415	18.9
69.07065	0.8
71.01340	0.5
71.04965	2.0
73.02907	4.2
73.06538	34.9
81.03403	6.3
83.01311	0.5
85.02889	100.0
85.06490	0.4
86.09675	2.3
87.04449	2.5
91.03941	4.9
92.09008	1.8
97.02869	20.1
97.03989	0.6
98.97575	2.7
99.04436	4.7
101.05978	0.8
109.02864	8.2
111.05640	0.4
115.03969	0.8
116.98603	0.9
124.03865	0.6
124.05071	0.5
125.03440	0.5
127.03886	19.5
128.98628	0.7
145.04944	23.2
148.03851	0.5
152.05647	6.7
153.04092	0.5
163.05966	8.1
163.07166	0.6
196.54390	0.5
219.01831	0.7
226.88010	0.5
229.00244	1.8
234.65034	0.5
236.66490	0.4
237.02789	0.6
253.12750	2.7
257.35880	0.5
373.04538	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52592	0.9
53.00292	1.4
53.03943	1.9
55.01860	2.3
55.05495	4.4
56.96547	4.0
57.03426	24.6
59.04976	5.3
60.04498	1.5
61.02917	9.7
66.51807	0.9
67.05470	4.1
69.03414	82.4
69.07022	1.2
70.06552	4.7
71.01332	1.9
71.04966	4.5
73.02895	12.1
75.04449	4.4
79.05455	1.8
81.03399	11.4
81.07050	4.5
83.04964	5.4
84.04502	1.6
84.08121	2.0
85.02885	100.0
85.06528	24.0
87.04447	41.8
89.05979	1.2
91.03917	4.7
91.05444	1.7
93.06989	1.8
95.04943	2.5
97.02866	66.4
97.06521	2.2
98.97546	2.5
99.04424	7.4
101.02394	1.0
101.05993	2.3
103.03936	1.4
103.07540	4.9
107.08569	1.3
109.02846	6.4
109.06475	4.4
111.04410	4.1
113.06004	2.0
113.39336	0.9
115.03906	50.4
116.98562	2.2
119.04961	1.8
121.06488	1.9
121.91203	1.0
123.04396	1.5
123.08025	3.7
127.03883	21.3
129.05502	1.6
133.04930	37.5
133.06499	1.4
135.08012	2.5
139.03888	1.1
145.04933	21.5
147.04387	5.4
150.07579	1.5
151.07471	1.5
153.09100	4.7
163.03879	1.7
163.05984	5.4
181.08543	4.9
184.11635	1.0
199.09622	13.8
217.10713	4.5
219.01640	1.6
229.10507	7.2
237.02783	1.4
259.08112	2.3
277.09055	1.3
295.10126	1.8
316.21640	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.05499	21.4
59.04976	4.1
61.42303	2.4
65.03934	4.3
67.05487	26.0
69.07043	11.0
71.04964	3.5
75.01946	2.3
77.69151	2.9
79.05479	36.0
80.54931	2.5
81.03398	4.0
81.07042	50.0
82.38948	2.8
83.04940	14.2
85.02888	10.6
87.04401	3.3
91.05459	50.3
92.08852	11.5
92.09390	3.7
93.07028	60.1
95.04951	33.3
95.08601	23.8
97.06519	5.5
105.07018	59.8
107.08533	19.2
109.06504	21.4
109.10136	5.3
111.08054	5.3
117.06996	20.5
119.08562	30.6
120.21677	2.8
121.06483	22.6
121.10167	5.5
128.06172	5.7
129.06969	11.9
130.07742	6.8
131.08543	26.6
133.10118	14.8
134.27458	3.0
135.08026	6.6
137.09613	3.5
141.06946	4.1
142.07764	17.1
143.08560	18.2
144.09335	10.6
145.10106	46.7
147.11620	3.9
148.08659	2.8
155.08548	4.6
156.09308	3.4
157.10059	25.1
159.11716	14.3
185.13217	14.1
214.42667	3.0
303.19571	18.6
414.21414	100.0
414.26898	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	415.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81723	3.3
55.95658	2.6
57.03419	7.7
57.88430	2.9
61.02911	3.9
69.03422	29.0
70.06588	25.2
72.08138	15.3
73.02898	4.1
81.03418	5.8
84.57011	3.4
85.02886	68.2
86.03222	3.8
86.06046	8.4
87.04429	6.3
92.08944	4.5
97.02861	21.9
99.04424	5.2
101.00856	18.7
116.07055	17.1
119.01900	51.1
127.02355	4.1
127.03910	15.2
131.01764	3.7
133.03439	6.6
136.06197	4.0
137.58849	3.4
139.02382	5.5
141.75790	3.9
143.01871	16.1
144.10219	3.9
145.03482	25.6
145.05013	4.6
147.03160	4.6
151.02016	3.8
151.04475	3.5
153.05734	5.7
157.03453	53.7
161.02922	18.8
163.04483	14.7
172.56409	3.7
173.02939	5.3
175.04471	26.4
181.05441	4.1
185.02991	3.8
193.62373	3.8
205.05470	17.9
223.04469	4.7
223.06610	100.0
233.06143	7.0
234.08238	3.9
241.07700	37.3
246.08421	4.1
257.72159	3.8
265.05136	4.5
265.07635	82.7
277.07513	4.5
295.08627	6.2
305.10779	8.7
307.08716	31.0
366.39856	3.9
383.10156	20.4
397.11780	18.0
415.09952	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83892	1.1
53.00305	1.4
53.03932	2.3
54.81595	1.1
55.01862	2.0
55.05503	2.7
57.03141	2.3
57.03427	69.2
57.07061	6.2
59.04993	10.1
60.04511	2.3
61.02697	1.0
61.02915	20.4
66.78245	1.1
69.03413	79.4
70.06556	2.4
71.01325	5.9
71.04971	2.5
72.08146	5.3
73.02895	99.2
73.06540	8.8
75.04459	2.8
81.03397	15.5
82.03702	1.8
82.34271	1.1
83.04951	6.2
85.02887	100.0
85.06526	2.7
87.04439	24.7
88.91490	1.5
91.03925	1.8
91.05441	1.7
92.08848	1.8
95.04965	2.0
97.02864	83.6
98.06017	2.1
98.97581	1.2
99.04436	5.4
103.03903	1.3
103.07561	1.9
105.03362	37.7
105.04515	1.5
105.55692	1.3
106.03718	16.1
107.04925	5.2
109.02863	11.0
109.10188	1.3
111.04432	5.7
113.81674	1.6
115.03900	57.7
118.55167	1.3
119.04899	2.3
127.03908	17.7
128.07076	11.0
129.05481	2.7
132.06657	1.3
133.04936	25.8
144.06532	8.1
144.14478	1.3
145.04924	23.8
147.04379	8.1
148.04764	2.1
149.11700	1.5
150.07634	2.4
162.07578	6.7
163.03899	2.3
163.05960	7.7
180.08615	5.3
188.12650	1.8
211.19130	1.3
223.05936	1.7
234.11237	1.9
241.07079	2.9
251.13795	3.0
252.14203	7.2
259.08157	2.9
265.12769	1.7
294.11462	1.8
295.10269	2.1
349.99515	1.4
414.18896	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	414.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83892	1.1
53.00305	1.4
53.03932	2.3
54.81595	1.1
55.01862	2.0
55.05503	2.7
57.03141	2.3
57.03427	69.2
57.07061	6.2
59.04993	10.1
60.04511	2.3
61.02697	1.0
61.02915	20.4
66.78245	1.1
69.03413	79.4
70.06556	2.4
71.01325	5.9
71.04971	2.5
72.08146	5.3
73.02895	99.2
73.06540	8.8
75.04459	2.8
81.03397	15.5
82.03702	1.8
82.34271	1.1
83.04951	6.2
85.02887	100.0
85.06526	2.7
87.04439	24.7
88.91490	1.5
91.03925	1.8
91.05441	1.7
92.08848	1.8
95.04965	2.0
97.02864	83.6
98.06017	2.1
98.97581	1.2
99.04436	5.4
103.03903	1.3
103.07561	1.9
105.03362	37.7
105.04515	1.5
105.55692	1.3
106.03718	16.1
107.04925	5.2
109.02863	11.0
109.10188	1.3
111.04432	5.7
113.81674	1.6
115.03900	57.7
118.55167	1.3
119.04899	2.3
127.03908	17.7
128.07076	11.0
129.05481	2.7
132.06657	1.3
133.04936	25.8
144.06532	8.1
144.14478	1.3
145.04924	23.8
147.04379	8.1
148.04764	2.1
149.11700	1.5
150.07634	2.4
162.07578	6.7
163.03899	2.3
163.05960	7.7
180.08615	5.3
188.12650	1.8
211.19130	1.3
223.05936	1.7
234.11237	1.9
241.07079	2.9
251.13795	3.0
252.14203	7.2
259.08157	2.9
265.12769	1.7
294.11462	1.8
295.10269	2.1
349.99515	1.4
414.18896	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81792	1.0
53.00292	2.9
55.01866	1.7
55.05503	73.0
55.66435	1.2
57.03175	1.7
57.03427	30.4
57.07064	60.0
65.46545	1.2
67.05145	1.3
67.05488	25.7
69.07051	87.3
71.04951	2.3
71.08611	31.4
72.68674	1.1
76.00922	1.3
79.05471	10.9
81.07032	35.3
81.07474	1.8
83.04963	3.0
83.08601	50.3
85.10165	15.4
87.04448	2.1
91.05434	1.7
92.08803	4.0
92.09355	2.0
93.07018	16.9
95.08575	29.2
97.06509	7.0
97.10144	29.8
105.06996	1.7
107.08577	14.7
109.10131	14.6
110.19303	1.5
111.08053	5.2
111.11707	8.3
121.10118	12.9
123.11639	5.3
125.09586	1.9
129.09070	1.5
135.11656	7.7
139.11130	4.7
149.13266	5.1
153.12738	1.9
163.14865	1.5
177.16330	1.9
181.15788	1.9
196.10443	1.4
303.30539	2.7
321.31473	10.0
328.66699	1.4
376.29755	1.3
395.35065	13.0
413.36166	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	413.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.8
54.75738	0.4
54.90952	0.4
55.01850	0.7
55.05502	11.7
56.05006	0.6
56.96524	0.9
57.03405	2.2
59.04976	1.8
59.06099	0.5
61.02901	3.3
69.03414	7.9
70.06547	0.9
70.46981	0.5
71.04958	0.9
72.08124	0.4
73.02869	2.0
73.06512	0.5
76.78138	0.4
79.05454	2.1
81.03381	2.9
81.07029	0.7
82.06563	8.9
83.04966	6.9
83.08611	4.1
85.02882	9.0
85.06530	0.7
86.09678	0.6
87.04427	1.7
91.05446	2.7
92.09016	2.3
97.02866	4.6
98.06005	0.6
98.97547	1.1
99.04422	0.9
100.07592	10.7
101.05987	14.7
101.09604	1.1
105.03343	2.1
105.06976	0.5
106.06528	18.2
107.04928	1.8
109.02852	1.9
109.10104	0.6
118.08598	1.0
119.08543	0.4
127.03871	2.1
128.04256	0.5
130.06473	0.6
132.06752	2.8
133.04889	0.5
133.07582	22.2
134.05977	7.1
144.08055	2.0
145.04919	0.6
151.08650	2.0
163.03804	1.0
170.09592	9.4
171.09109	0.7
172.11145	7.7
187.12241	0.6
188.10579	2.4
197.01062	0.6
197.11516	0.4
198.08984	0.5
206.11694	7.0
215.11682	5.0
216.10181	0.4
223.02455	0.4
233.12784	9.5
251.13838	100.0
284.52237	0.4
341.51590	0.5
413.14743	2.6
413.19049	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38952	0.3
51.02366	0.6
53.03764	0.3
53.03938	4.6
55.01853	1.6
55.05500	3.3
57.03425	5.1
59.04962	0.6
61.02896	2.8
65.03948	0.5
67.05479	1.7
69.03410	21.3
69.07051	0.6
70.06578	0.4
71.04969	2.0
72.08125	4.9
73.02905	1.9
79.05482	0.6
81.03397	13.9
81.07034	1.5
83.04962	10.7
84.08141	0.5
85.02885	9.5
85.26103	0.4
87.04432	0.8
91.03944	0.4
91.05450	2.7
93.06995	1.0
95.04949	8.9
97.02866	1.9
97.06493	0.5
98.97516	0.7
99.04415	4.1
101.02301	0.4
101.05969	0.7
105.03366	100.0
105.06967	0.6
106.06506	0.4
107.04949	1.7
108.75304	0.4
109.02856	16.2
109.06469	0.5
111.04416	6.1
111.08041	0.6
116.98570	0.6
118.06525	0.4
119.04913	3.1
119.08508	0.5
123.04363	1.7
125.02316	0.7
127.03879	4.1
129.05423	5.8
132.06786	0.5
135.04399	0.4
137.05966	1.0
145.10081	0.4
147.04384	8.8
147.06448	0.6
150.00392	0.4
151.03868	0.7
157.10100	0.5
160.09900	0.4
163.03842	0.9
163.07533	0.4
175.06004	2.3
177.05481	0.4
187.12263	3.1
197.11653	0.6
199.78178	0.5
205.13264	0.6
215.14388	0.5
231.06491	6.4
251.13834	7.7
274.69241	0.5
333.44830	0.5
413.14163	2.5
413.18890	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	412.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	44.0
57.07053	18.4
59.25251	2.9
66.42305	3.1
67.05485	47.6
68.78100	2.8
69.06753	3.3
69.07054	49.8
71.04958	7.3
71.93223	3.0
72.04487	18.8
79.05453	15.2
81.07034	82.6
83.08605	58.1
85.06514	4.5
89.88497	3.3
93.07007	20.4
94.91682	3.6
95.08582	100.0
97.10143	36.7
107.08589	8.3
109.10150	66.3
111.08028	6.6
111.11665	4.6
121.10097	16.3
123.11683	19.4
135.11636	15.1
135.62402	3.8
137.13199	4.6
163.14755	4.5
178.06244	3.5
184.80241	3.5
233.11652	8.2
242.86530	3.8
248.16632	3.6
277.25272	5.8
284.80380	4.1
295.26187	5.0
313.27274	27.1
359.33072	13.2
377.34048	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	100.0
69.03417	4.0
71.04987	0.8
71.95244	0.9
74.97590	10.5
76.55782	0.7
81.03410	3.4
81.07048	3.8
83.04963	1.2
84.95998	4.8
85.02898	4.4
86.97591	1.5
87.04440	0.7
91.05465	0.7
92.09179	0.9
92.98595	0.9
97.06483	0.8
97.96783	14.7
98.97565	61.2
105.07019	1.2
109.02804	0.8
109.06504	0.8
110.67455	0.7
110.97563	3.6
111.04454	1.0
115.97838	8.1
116.98600	37.0
121.06487	0.9
125.05921	0.7
126.41223	0.7
128.98608	4.2
132.98094	2.7
133.98862	3.0
134.99629	17.6
135.08096	0.6
135.09125	1.0
143.07076	0.7
146.99623	1.6
150.05479	0.7
150.72620	0.6
150.99150	5.0
151.00623	3.0
152.01451	1.2
153.00723	0.8
158.99640	6.1
161.01190	1.0
162.99162	0.8
166.98497	0.7
167.06952	0.8
169.00290	1.4
169.01706	4.6
169.08606	1.0
170.02469	0.9
170.99612	2.6
177.00710	11.8
177.02141	1.3
179.03787	1.3
181.01746	1.2
187.02722	4.7
189.00688	1.2
189.02126	5.1
191.03784	0.8
195.01768	0.7
195.03322	1.0
197.01216	0.9
197.04811	1.3
203.00189	0.8
205.01749	1.2
207.03261	42.0
211.02768	16.1
219.01678	1.4
221.01208	5.4
223.02740	5.7
225.04298	31.9
226.04013	1.2
229.03799	34.7
233.01266	1.0
233.12906	1.4
235.02751	1.4
237.02592	6.7
238.03125	0.8
239.02248	1.2
241.03847	1.5
243.05309	0.8
247.05063	0.8
249.04390	3.3
251.02191	6.6
253.03786	23.8
257.49347	0.7
263.02148	1.0
267.05374	3.4
269.03296	18.4
271.04956	7.7
281.03232	4.6
287.04309	3.6
293.03207	6.4
299.04376	1.3
305.03156	2.1
311.04318	17.4
323.04446	2.8
329.05627	1.3
334.06021	0.9
336.70477	0.7
353.05359	1.2
369.49918	0.7
371.06116	8.3
389.07404	0.9
413.07501	9.2
413.14124	4.3
413.19180	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
54.82101	0.2
55.05507	4.4
57.03422	1.4
57.07069	7.4
59.04993	36.1
61.02928	0.8
66.85146	0.3
67.05486	2.0
69.03419	4.6
69.07057	25.7
71.04979	0.6
71.08622	4.5
73.06539	9.2
75.30262	0.3
77.06019	1.4
79.05459	0.6
81.03411	3.7
81.07042	1.4
83.04948	0.4
83.08607	1.9
85.02890	11.0
85.10175	2.4
87.04453	9.2
91.05460	1.1
92.09038	1.9
93.07008	0.6
95.04958	2.1
95.08568	1.2
97.02872	4.1
97.06516	0.7
97.10126	1.3
99.04403	0.3
105.02688	0.5
105.03378	12.7
105.05492	9.0
106.03711	0.3
107.08566	0.3
109.02854	1.6
109.10129	3.5
111.11708	22.2
119.08581	0.4
121.10102	0.3
123.04410	0.7
123.06506	0.4
123.11702	0.4
127.03913	2.4
127.11201	2.2
129.12740	34.1
145.04942	1.7
146.05997	100.0
147.06358	2.2
147.08073	0.5
163.94162	0.3
197.13240	0.4
215.14439	0.3
215.16367	1.4
215.19992	0.3
233.17461	3.9
249.07541	0.6
259.09454	0.4
302.47559	0.3
322.48547	0.3
344.27887	0.3
412.13889	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.8
53.03935	1.3
55.01866	2.8
55.05500	4.0
57.03429	33.5
59.04991	7.1
60.04510	2.4
61.02911	6.5
61.03212	0.5
67.05487	0.8
69.03414	95.9
69.07051	8.3
70.06590	0.4
71.01334	0.5
71.04969	4.0
73.02896	6.2
75.04450	4.9
79.05457	0.7
81.03401	8.1
81.07037	1.9
83.01307	0.4
83.04967	2.0
83.08609	4.7
85.02886	100.0
86.03196	0.4
86.09688	1.4
87.00810	4.0
87.04449	56.9
91.03948	2.7
91.05437	1.3
91.44756	0.4
93.07017	2.0
95.04944	0.8
95.08570	1.7
97.02867	69.0
97.06499	1.2
99.04429	4.9
99.08041	0.5
101.02351	1.4
101.09573	0.6
103.03919	1.4
104.10738	2.4
104.53230	0.3
105.01877	3.1
105.03362	0.8
105.07021	0.7
107.04950	0.4
107.08556	0.6
109.02862	7.3
109.06447	0.3
109.10143	0.7
111.04372	0.6
111.08078	2.3
111.11694	1.9
113.09586	0.6
115.03907	59.5
119.08500	0.4
121.10095	0.6
123.04398	1.2
123.08047	1.3
125.00015	0.4
125.02322	0.4
125.09565	0.4
127.03888	15.8
127.43061	0.4
129.09135	0.5
129.12727	2.6
133.04941	56.9
135.08037	0.5
137.05981	0.4
137.09525	0.3
139.03882	0.4
139.07486	0.8
141.09081	1.4
145.03833	0.8
145.04939	17.2
147.13789	0.6
149.09630	0.5
150.07584	6.9
151.03862	0.4
151.07455	0.5
159.02924	0.4
163.05986	5.8
167.10638	3.4
169.04895	1.5
175.06009	0.5
179.10590	1.5
180.08670	0.3
184.07249	2.1
187.05951	0.7
197.11642	2.3
209.11642	0.5
215.12691	0.7
223.06068	0.7
227.12700	0.6
231.04906	1.6
235.94980	0.4
241.06931	1.8
245.13713	1.3
259.07999	3.7
263.14774	2.4
277.08966	2.2
295.10117	3.1
411.19534	0.4
412.20120	2.1
433.59457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98625	5.8
55.05499	28.4
56.63348	5.9
57.07048	7.7
63.47953	6.5
67.05491	50.9
67.24187	5.3
69.07040	39.4
72.67151	4.9
79.05465	9.7
81.07050	59.0
83.08586	23.6
84.64759	6.1
91.05453	14.9
93.07019	42.8
95.04908	6.3
95.08591	100.0
105.07014	38.1
107.08570	59.6
109.10116	68.5
117.06992	9.3
119.08569	48.9
121.10146	43.0
123.11703	9.7
131.83496	6.1
132.22914	6.5
133.10086	42.3
134.90500	6.7
135.11601	42.1
145.10124	12.5
147.11684	28.7
149.13269	12.4
159.11649	13.5
161.13251	34.4
163.14815	8.6
173.13293	6.3
175.14796	36.7
178.07303	6.8
189.16353	28.8
191.17896	11.3
201.16292	6.8
203.18013	10.2
207.17436	26.0
393.35175	7.9
411.35919	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
53.98335	1.4
54.91233	1.5
55.01856	7.5
55.05502	9.2
57.03428	26.3
57.07058	2.1
58.82149	1.3
59.05000	1.9
60.08144	2.7
61.02915	13.1
64.33903	1.7
67.05486	9.9
68.06703	1.5
69.03417	55.7
69.03796	2.0
69.07057	57.6
70.06577	1.7
71.01352	1.8
71.04974	8.1
71.07338	1.8
73.02903	35.5
79.05470	3.7
81.03405	25.1
81.07038	8.1
83.04946	3.2
83.08591	11.5
85.02889	100.0
85.06533	8.9
86.09695	19.6
87.00824	24.9
87.04445	11.6
91.05485	2.1
92.09183	7.9
93.07022	4.2
95.04958	17.7
95.08584	3.8
97.02875	49.0
97.06525	6.1
99.04433	11.2
99.64590	1.6
104.10725	24.3
105.01839	18.3
105.03371	21.5
107.08556	2.7
109.02854	20.9
109.10141	4.0
111.04424	2.3
111.08045	2.1
111.11695	17.6
115.03931	14.3
115.07494	1.8
119.04885	2.0
121.10145	2.3
123.08083	2.3
124.99997	7.2
127.03903	32.8
127.07557	3.6
129.12744	16.1
133.04971	9.4
139.11186	1.8
141.05440	3.3
145.04932	20.0
147.13748	2.4
155.07013	18.4
155.10571	2.3
163.06003	6.7
165.47160	1.9
169.18839	2.2
173.08075	7.8
184.07338	19.1
198.54982	2.2
231.04881	6.3
235.58194	1.8
263.14987	1.7
411.19748	2.9
412.20432	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	411.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81929	5.2
55.00731	4.3
55.05502	12.4
57.07058	8.7
59.09320	4.9
67.05490	30.8
69.07061	41.0
70.66830	4.8
76.07636	8.9
79.05462	8.7
81.07036	54.1
83.08622	11.4
91.05460	12.3
93.07024	51.3
95.08585	100.0
97.10132	7.5
105.06984	41.7
107.08573	65.4
109.10158	40.6
119.08545	54.7
121.10126	47.1
123.11670	27.6
133.10092	54.7
135.11668	33.6
145.10129	6.8
147.11661	41.6
149.13202	23.3
159.11658	11.1
160.12399	6.1
161.13225	38.6
163.14825	27.4
173.13234	6.9
174.99883	5.7
175.14760	59.4
177.16342	12.0
183.00493	5.5
187.14780	7.2
189.16325	41.4
191.17888	33.7
203.17952	61.7
207.17441	6.1
215.17943	22.1
235.79126	5.6
269.41818	5.8
302.25885	6.3
351.30261	6.2
393.35004	25.5
411.36127	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	411.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	17.7
57.07066	2.6
67.05489	24.9
69.07056	26.3
79.05482	20.5
81.06598	3.1
81.07043	56.9
83.08605	10.0
91.05469	18.1
92.09193	4.0
93.07036	50.2
95.04903	3.5
95.08589	100.0
95.09199	3.8
97.10153	3.3
105.07023	54.4
106.16990	2.4
107.08585	84.2
107.54424	2.3
109.10144	58.7
117.07015	2.9
117.45812	2.3
119.08559	72.9
121.10124	54.2
123.11690	16.6
131.08553	12.2
132.46185	2.1
133.10118	52.1
135.11687	38.5
137.13257	4.4
145.10089	18.0
147.11674	46.5
149.13202	21.1
157.10107	3.0
159.11684	19.7
161.13242	35.9
162.65321	2.7
163.14781	21.5
164.12822	2.5
171.11652	3.3
173.13228	12.8
175.14799	20.3
177.16377	12.5
179.14264	4.4
187.14862	11.3
189.16388	29.2
191.17946	21.7
198.42610	2.1
201.16418	9.9
203.17921	51.4
213.16374	2.7
215.17929	5.3
217.19409	4.3
229.19513	4.9
231.21031	5.2
255.21333	2.5
269.22513	2.7
348.01224	2.5
393.35110	17.7
411.36215	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74841	1.3
55.05496	5.4
57.07066	57.2
57.46382	1.1
62.48108	1.2
67.05498	1.8
69.07044	8.1
69.68053	1.2
71.08612	28.0
72.51241	1.7
73.06530	6.2
79.05453	3.3
80.37132	1.3
81.07050	2.5
83.08610	2.1
85.10165	26.0
89.06010	100.0
91.05422	2.5
92.09001	1.5
93.07006	6.1
95.08591	2.6
105.07002	6.4
107.07064	2.5
107.08540	2.8
119.08579	2.7
121.10104	2.7
131.08563	1.9
133.08572	34.7
145.10100	2.1
147.11652	1.9
149.02338	9.7
150.13632	1.6
155.17894	1.7
167.16722	1.6
177.11183	6.4
210.32179	1.6
239.14874	17.1
243.23128	6.9
393.31989	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60933	0.7
53.00298	1.4
54.19479	0.8
55.01868	1.3
55.05501	11.6
57.03428	4.6
57.07065	4.6
59.04987	0.9
61.02906	2.1
62.11322	0.8
64.33075	1.0
66.14275	0.7
67.04173	1.0
67.05494	28.7
69.03416	10.4
69.07061	21.8
71.04978	37.3
73.02899	1.2
73.06540	1.7
79.05488	8.9
81.03400	5.7
81.07041	39.8
83.04965	2.1
83.08614	8.9
85.02419	1.4
85.02895	20.0
85.06538	7.0
91.05461	4.6
92.08862	1.4
93.07024	22.0
95.04971	1.2
95.08587	29.4
97.02862	4.7
97.06509	2.0
97.10132	3.3
99.08071	5.9
105.03420	1.0
105.07014	4.1
106.69408	0.9
107.08582	24.2
109.02840	1.1
109.10147	90.8
111.08102	1.1
111.11754	1.1
113.09615	1.9
119.08567	1.9
121.06462	1.3
121.10130	34.9
123.11697	10.8
125.09627	4.4
125.13284	3.4
127.03876	1.8
127.11192	4.1
127.62640	0.9
129.05562	1.0
133.10062	1.4
134.76094	1.1
135.07997	1.0
135.11681	24.9
137.13228	7.2
139.11195	0.9
140.82617	0.9
141.12799	0.9
143.65222	1.0
145.04924	1.0
149.13242	4.3
153.12718	11.1
159.11647	0.8
161.05962	1.1
162.02052	0.9
177.12715	1.7
177.16364	36.9
195.13802	1.8
195.17416	51.3
211.13277	1.1
213.15160	2.5
213.18462	100.0
231.15924	9.2
231.19485	9.3
326.08438	0.9
362.04977	1.0
411.19861	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	410.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51696	0.7
53.00299	1.4
53.03942	1.2
54.21881	0.5
55.01861	0.7
55.05502	9.8
57.03431	3.4
57.07066	5.0
59.04986	2.6
60.12350	0.8
60.13074	0.6
60.16206	0.7
61.02916	3.5
65.89746	0.6
67.05139	1.2
67.05494	30.0
69.03425	10.4
69.07056	23.4
69.07420	0.6
71.04978	42.7
73.02893	0.9
73.06529	1.4
75.76192	0.6
79.05481	12.3
80.55167	0.7
81.03397	5.5
81.07038	37.8
83.04978	4.3
83.08612	8.4
84.08149	0.9
85.02890	24.8
85.06524	10.0
91.05484	4.2
91.67728	0.7
92.08926	3.2
93.06535	0.7
93.07024	24.6
95.04942	3.6
95.08585	29.5
97.02874	7.1
97.06504	4.5
97.10152	4.5
99.04436	2.7
99.08077	4.2
105.07031	1.6
107.08578	27.8
109.02862	3.5
109.06507	1.1
109.10142	91.8
111.08087	2.7
111.11652	1.0
113.09626	3.8
114.05556	0.7
117.06960	0.9
119.08556	0.8
121.06482	2.7
121.09253	1.4
121.10126	38.9
123.11697	10.5
125.06001	1.2
125.09618	4.1
125.13274	2.9
127.03902	3.9
127.11152	5.0
129.05444	0.8
131.08582	1.2
133.10127	4.2
135.08063	2.7
135.11670	37.7
137.05986	1.3
137.09686	0.9
137.13275	6.0
139.07568	1.2
139.11172	1.3
145.04942	1.6
145.12245	1.2
149.05949	1.1
149.13277	6.1
151.11188	1.0
153.09151	0.6
153.12720	18.0
159.11658	1.6
161.05968	1.3
167.02142	0.7
177.12779	4.9
177.16353	35.2
195.13771	6.6
195.17422	50.9
200.97424	0.6
213.14906	5.3
213.18460	100.0
231.15866	18.8
231.19463	10.9
237.70535	0.7
245.95187	0.7
254.91505	0.7
285.11096	1.0
305.16519	0.7
317.92416	0.7
327.12143	0.9
410.18683	1.0
411.19885	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	410.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01856	4.0
55.05506	7.3
56.18074	0.8
56.35164	0.9
57.03422	5.9
57.07068	1.8
57.12461	0.8
59.05014	0.9
61.02909	1.8
67.05492	44.7
69.03407	7.4
69.07043	10.1
71.04976	34.3
73.02916	1.1
79.05475	28.3
81.03410	5.9
81.07039	77.9
82.07371	1.1
83.04971	6.8
83.08601	3.8
83.39828	1.1
83.58758	0.8
85.02883	19.6
85.06530	25.0
87.04449	1.6
89.91563	0.9
91.05457	17.9
92.08655	0.9
92.09161	4.2
93.07022	65.9
95.04938	5.3
95.08582	53.3
97.02860	7.1
97.06500	19.8
99.04413	4.1
99.08072	11.6
105.07024	7.4
107.04942	1.5
107.08577	28.9
109.02866	2.0
109.06509	11.1
109.10121	5.0
111.08038	9.5
113.05949	1.2
117.06976	17.1
119.04930	1.2
119.08572	5.4
119.74757	0.9
121.05756	1.3
121.06464	10.0
121.10122	13.3
123.08000	2.1
123.11665	1.5
127.03885	4.8
127.07497	3.8
127.11164	15.4
131.08549	21.6
133.10092	25.5
135.08047	8.8
135.11671	69.9
137.05959	15.9
139.07530	1.4
145.12207	2.0
147.11688	1.9
149.09605	6.0
149.13229	21.2
153.09084	1.1
155.07034	4.0
159.11656	44.3
165.12711	1.4
177.12711	41.9
181.08582	1.6
189.05495	1.8
195.13771	38.5
198.25064	1.1
213.14821	100.0
230.09184	1.7
231.15935	12.7
248.10234	2.1
282.04443	1.2
299.10901	1.2
301.08319	0.9
307.11862	1.0
410.18512	2.2
411.19678	3.8
422.23694	1.0
432.51685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01851	3.4
55.05495	6.3
57.03417	3.5
57.07078	7.2
60.59354	0.8
61.02893	4.7
61.94483	0.7
62.26749	0.8
67.05145	1.1
67.05494	21.6
69.03408	6.6
69.06715	1.7
69.07056	27.1
71.01350	2.9
71.04981	14.0
79.05475	25.9
80.49098	0.8
81.03387	4.7
81.07043	29.5
83.04966	3.6
83.08606	11.0
85.02894	18.0
85.06506	5.0
89.02362	1.6
90.51379	0.9
91.03899	1.0
91.05477	9.0
92.09048	5.3
93.07027	58.0
95.04943	3.9
95.08580	24.2
97.02867	4.9
97.06515	12.2
97.10169	1.1
97.30138	0.9
97.99619	1.0
99.04418	1.7
99.08076	1.9
105.03378	4.4
105.07001	5.2
105.41886	0.9
107.04960	2.1
107.08577	27.3
109.02831	1.3
109.06460	1.3
109.10149	10.0
111.08080	4.8
113.05966	1.2
117.07005	6.4
119.08530	4.0
121.06497	7.7
121.10128	4.2
123.04394	1.8
125.05943	5.1
125.13250	9.6
127.03899	2.1
127.11176	2.1
131.08565	6.2
133.10101	15.4
135.08023	6.0
135.11671	100.0
139.07585	6.4
144.06520	1.5
145.04945	1.0
149.13257	17.1
151.11137	1.2
153.09053	2.3
153.12714	39.9
159.11668	16.4
171.13776	1.3
175.40439	0.9
177.12709	23.1
182.81308	1.0
195.13779	25.9
195.15501	0.9
213.14853	12.5
214.24628	0.9
215.31837	1.0
231.15871	88.9
248.12660	1.1
301.49930	0.9
303.48065	1.0
411.19687	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	410.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31353	1.0
53.03925	2.3
55.01862	4.9
55.05502	16.4
57.03420	7.7
57.07079	10.0
57.07317	1.3
59.04991	1.3
59.30090	1.1
61.02901	2.5
65.03934	1.1
67.05144	1.9
67.05491	43.8
69.03423	16.5
69.06715	2.0
69.07056	42.2
71.01318	1.5
71.04975	55.5
73.02896	1.6
79.05471	31.5
81.03394	7.0
81.07036	54.6
83.04977	7.3
83.08611	14.9
85.02891	44.8
85.06533	10.0
87.04559	1.1
88.64839	1.2
89.02374	2.7
91.05447	10.1
92.09175	6.9
93.07022	67.3
95.04954	2.2
95.08577	41.6
97.02859	9.4
97.06498	9.8
97.10128	5.7
99.04440	6.0
99.08041	5.2
105.03372	2.2
105.07001	5.7
107.04954	1.5
107.08585	42.3
109.02872	4.7
109.06494	4.9
109.10141	96.8
111.04472	1.4
111.08051	4.6
111.11678	1.3
113.09644	1.2
117.06982	5.8
119.08585	2.4
121.06469	7.0
121.10126	43.4
123.11695	14.1
125.06006	6.9
125.09592	2.9
125.13264	5.1
127.03873	4.9
127.11190	6.9
131.08537	2.9
133.10114	11.9
135.02367	1.2
135.08049	5.8
135.11670	100.0
137.05899	1.2
137.13235	5.7
139.07497	8.4
145.05057	1.8
149.13261	12.3
153.09067	2.4
153.12712	52.9
153.53423	1.1
159.11656	7.9
161.05960	2.9
177.12726	18.6
177.16335	33.8
195.13725	19.3
195.17416	47.0
196.17751	1.3
197.20775	1.4
208.77538	1.4
213.15108	16.4
213.18445	96.0
219.30112	1.3
231.15869	78.9
231.19296	9.1
256.19254	1.3
285.11005	2.1
327.56470	1.3
410.18759	1.6
411.19678	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	410.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24533	1.3
54.81745	1.1
55.01865	1.7
55.05503	6.7
57.03428	2.5
57.07030	1.3
59.87226	1.1
61.02908	1.2
65.98779	1.1
67.05489	33.1
68.90404	1.0
69.03412	6.9
69.07054	9.5
71.04980	35.8
73.02900	1.6
73.39716	1.1
79.05470	19.2
81.03391	2.9
81.07037	51.3
83.04964	5.9
83.08591	2.4
84.04446	1.1
85.00610	1.4
85.02879	25.2
85.06531	28.6
91.05450	12.2
92.08746	4.6
92.09283	1.6
93.07023	50.4
95.04940	7.9
95.08006	2.2
95.08588	58.4
97.02871	6.1
97.06490	16.7
99.04438	2.5
99.08064	7.4
105.03380	4.4
105.07008	11.4
107.08580	23.3
109.02859	2.0
109.06459	4.2
109.10168	4.9
111.08057	10.1
113.06007	5.2
113.09612	9.5
115.88121	1.3
117.07005	14.3
119.08559	4.7
121.06503	8.6
121.10126	6.5
123.04459	1.5
125.09607	6.2
127.03910	6.0
131.08545	19.8
131.10658	1.9
133.10117	21.7
134.10455	2.1
135.08044	8.7
135.11664	54.7
137.05901	2.2
141.05522	1.4
147.11693	5.6
149.09604	2.3
149.13234	19.4
151.11171	2.0
153.09105	2.0
159.11658	45.0
165.12749	1.6
177.12714	54.9
195.13773	42.4
211.13376	1.4
213.14847	31.4
213.16672	1.8
231.15875	100.0
265.96591	1.4
389.06454	1.3
410.18198	9.5
411.19720	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	73.1
57.07062	23.3
60.41685	2.7
67.05496	58.0
69.07054	72.6
71.08599	8.3
72.08133	54.2
79.05482	5.1
81.07036	87.7
83.08607	65.9
85.06550	3.9
89.06007	13.3
91.80395	2.9
92.08858	27.7
93.07031	15.2
95.08585	100.0
97.10145	34.9
107.08567	14.0
109.10140	56.5
111.11707	7.8
114.37064	3.1
121.10120	4.1
123.11677	18.5
133.08572	5.2
135.11684	5.1
137.13179	5.3
139.17813	3.0
149.13225	5.7
195.12215	7.6
196.12547	4.9
251.54861	3.9
280.94147	3.6
332.37134	3.4
362.21341	3.5
373.38110	21.5
385.91077	4.2
391.39133	7.3
399.00684	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	410.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68515	0.1
53.20090	0.1
69.07037	0.6
71.04958	0.3
73.02948	0.2
84.08120	0.2
85.02879	0.3
86.09689	100.0
92.08772	0.2
92.09247	0.3
97.02853	0.2
98.06030	0.7
99.04413	0.9
114.32305	0.2
116.07052	0.3
117.05487	1.1
117.06234	0.1
131.43243	0.2
132.10178	41.4
136.06291	0.2
182.12900	0.2
300.62915	0.2
353.48837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.5
57.07054	3.4
66.00922	0.7
66.66462	0.7
69.07045	5.1
71.08622	1.3
74.50651	0.7
79.05484	3.3
81.07030	1.4
83.04964	1.4
83.08627	1.8
89.06010	5.5
92.08634	1.7
92.09258	4.5
95.04942	1.1
95.08586	1.1
97.10159	1.5
97.29849	0.7
99.04401	1.0
107.04940	7.3
112.91833	0.7
118.82218	0.8
125.05971	100.0
171.81161	0.7
175.24486	0.8
195.12196	1.5
211.74626	0.8
391.35617	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00823	4.0
54.34861	3.8
55.05496	11.0
57.07073	5.1
57.90335	4.4
63.98343	4.9
67.05473	31.9
69.07034	32.8
74.28554	4.5
79.05446	23.0
81.07033	57.9
83.08588	6.1
84.77708	4.3
85.02872	6.0
91.05453	24.7
93.07000	53.2
95.08578	100.0
101.47214	4.8
101.96554	4.7
105.06987	49.7
106.49449	4.7
107.08581	68.2
109.10134	43.1
117.07014	10.0
117.75620	5.6
119.08549	57.8
121.10113	51.3
123.11668	18.9
131.08530	11.9
133.10089	44.2
135.11646	26.8
137.13184	5.5
143.08557	11.7
145.10060	26.0
147.11650	28.2
149.09613	6.8
149.13234	22.2
157.10060	11.9
159.11655	27.7
161.13162	10.6
163.14757	33.9
171.11565	8.3
173.13237	24.8
175.14732	24.2
177.16362	23.1
185.13286	6.7
187.14787	26.2
189.16386	10.1
191.17870	6.1
199.14841	6.3
201.16353	8.5
203.17969	11.8
205.15811	8.3
213.16290	7.6
215.17871	8.0
255.20949	9.4
308.70447	6.8
379.76715	5.7
391.33414	23.2
409.34442	71.2
423.20322	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	409.346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.9
57.07052	1.4
59.46747	0.5
61.47456	0.6
67.05486	8.5
69.07050	14.2
76.84945	0.5
79.05471	5.7
81.07031	27.7
83.08594	3.8
86.36417	0.6
91.05445	6.8
92.08987	6.5
92.63736	0.6
93.07011	24.4
95.08577	28.7
97.06503	2.3
97.10152	1.4
104.75693	0.6
105.07009	13.8
107.07865	1.3
107.08568	33.4
109.10131	13.0
111.08063	1.3
117.06960	1.4
119.08543	20.0
121.10105	20.2
123.08049	0.6
123.11659	4.0
129.06947	1.5
131.08516	8.4
133.09071	0.7
133.10083	18.7
135.11649	12.6
135.60992	0.6
137.13199	5.4
143.08528	6.7
144.09268	0.7
145.10094	14.1
147.11659	21.7
149.13226	35.7
150.65427	0.5
157.10068	8.5
159.11673	10.1
161.13210	8.0
163.14780	40.8
165.16371	0.6
171.11693	7.6
172.12396	1.0
173.13234	10.2
175.14767	6.9
177.16368	5.6
185.13188	7.2
187.14778	7.9
189.16331	10.6
198.14178	0.9
199.14766	6.1
201.16254	5.9
203.17906	12.8
211.14735	1.3
213.16307	6.9
215.17909	13.2
215.66013	0.6
217.15704	0.6
219.17450	0.7
227.17868	7.7
228.18591	2.7
229.19388	8.7
231.21086	1.0
241.19476	10.9
242.20288	1.2
243.21010	5.8
253.19522	1.4
255.21025	20.1
257.22690	4.2
259.20581	2.9
267.20990	2.4
269.22543	13.1
285.22043	14.7
295.24234	1.5
391.33481	7.0
409.34525	100.0
427.83035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	14.1
57.07059	3.5
64.70749	1.6
66.51096	1.3
66.60571	1.3
67.05492	20.5
67.97735	1.4
69.07051	32.1
72.88700	1.4
73.91092	1.6
78.20720	1.6
79.05469	21.1
81.07037	46.6
83.04949	3.1
83.08596	13.4
91.05470	19.0
92.08836	2.4
93.07021	45.8
95.08582	100.0
97.10137	7.7
105.07011	45.2
107.08575	93.8
109.10139	49.6
117.06948	5.6
119.08565	49.7
121.10112	72.4
123.08078	2.1
123.11689	17.2
131.08583	12.0
133.10112	41.4
135.08038	7.9
135.11661	32.2
137.13235	2.9
143.08524	3.0
145.10100	25.9
147.11673	33.7
149.09584	2.2
149.13229	41.6
157.10106	2.3
159.11661	14.7
161.09566	3.0
161.13197	16.7
163.11153	25.7
163.14772	29.8
171.11655	2.8
173.13228	9.4
175.14781	34.5
177.12721	6.4
177.16356	39.2
187.14713	18.8
189.16373	18.9
191.17894	7.0
199.14825	2.6
201.16397	10.0
203.17928	89.1
205.15839	45.7
205.19452	6.8
213.16370	3.4
215.17900	9.8
219.17354	3.4
231.17224	2.6
241.19536	2.9
243.21124	2.0
255.21104	3.9
267.21249	2.2
367.41898	1.8
391.33347	9.3
409.34564	84.6
414.12512	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.9
55.01860	1.9
55.05499	13.3
57.07062	100.0
63.33410	1.4
67.05489	9.1
69.07055	17.8
71.08239	3.2
71.08611	66.2
79.05466	11.0
81.07040	16.0
83.04930	1.6
83.08591	8.8
83.46090	1.7
85.10159	31.9
89.06011	11.8
91.05453	9.0
92.08932	11.0
93.07025	15.9
95.08578	15.0
97.10146	4.0
105.07021	15.3
107.07011	1.8
107.08572	23.2
109.06535	2.8
109.10131	6.6
111.26391	1.6
117.06994	8.8
119.08529	14.0
121.06493	3.7
121.10082	12.9
121.15525	1.8
123.04396	2.2
123.08031	3.2
123.11639	1.7
129.06927	3.0
131.08540	12.3
133.08604	2.1
133.10081	8.6
135.08052	11.4
135.11644	3.8
137.05934	7.7
137.09586	2.9
143.08473	2.3
144.09444	2.0
145.10121	9.2
147.08032	2.1
147.11676	3.6
149.05946	9.8
149.09602	4.2
151.07507	46.3
157.10164	12.2
159.11638	10.6
161.13210	1.7
163.07471	20.9
163.11119	1.8
165.09048	31.8
173.09610	7.1
173.13223	6.8
175.11197	2.5
177.09071	32.3
178.11331	1.9
179.10614	10.1
181.08539	2.6
185.31865	2.1
187.11134	4.3
187.14740	3.2
191.10658	13.4
195.10156	2.1
195.12039	9.1
201.12730	3.6
205.12234	7.1
215.14226	3.2
223.41266	1.9
235.14722	2.0
237.14558	2.6
251.16266	3.2
263.17883	2.1
279.19485	2.5
307.22415	2.3
373.30768	2.3
391.33493	2.9
409.34473	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.4
53.03938	2.4
55.01863	3.2
55.05502	24.1
57.07065	10.3
59.04987	2.8
63.56159	1.4
65.03915	2.4
67.05494	31.1
69.03426	10.0
69.03725	1.2
69.07056	12.3
71.04971	3.0
71.72288	1.5
79.05470	35.9
81.06567	1.9
81.07030	48.8
83.04952	6.5
83.08591	5.2
86.24966	1.3
91.05456	49.8
91.06003	2.5
91.84991	1.3
92.08580	2.5
92.09199	8.9
93.07022	66.0
95.04945	59.1
95.05421	1.2
95.08584	39.9
97.06505	13.5
103.05427	2.8
105.07011	100.0
106.07854	1.9
106.18019	1.3
107.04950	2.5
107.08577	33.2
108.05701	1.4
109.06483	17.5
109.10143	19.5
111.08059	1.5
115.05436	5.3
117.07004	23.4
118.07785	1.6
119.08557	69.6
121.06499	20.7
121.10120	24.1
123.08044	20.8
123.11650	2.1
128.06198	9.2
129.06982	18.3
130.07780	7.3
131.08536	34.9
132.09331	2.7
133.06445	8.0
133.10115	25.0
135.08028	14.3
135.11671	5.3
137.06010	1.5
137.09584	8.7
139.11153	1.8
141.06978	7.1
142.07751	15.6
143.08549	33.6
144.03111	1.3
144.09288	5.9
145.06451	2.4
145.10106	47.1
146.10844	2.3
147.08035	18.1
147.11679	24.2
149.09592	9.8
149.13170	1.8
151.07520	21.1
154.07671	1.8
155.08539	15.8
156.09300	9.6
157.10103	24.6
158.07227	1.8
158.10797	1.6
159.08009	7.8
159.11682	18.7
160.08731	2.0
161.09573	10.8
161.13188	6.1
163.11145	2.1
163.14734	1.7
165.07010	1.7
165.09050	21.8
166.07646	2.3
167.08559	5.9
168.09303	9.4
169.10088	14.9
170.10846	7.1
171.11665	17.1
173.09627	6.0
173.13210	6.6
175.11172	10.7
175.14798	2.4
177.09087	2.2
179.08482	6.4
180.09280	1.7
181.10059	10.8
181.12331	1.7
182.10800	2.4
183.11703	15.3
185.09572	2.7
185.13206	3.3
187.11198	3.0
187.14833	3.4
189.12674	6.0
191.14224	2.5
193.10155	6.6
194.10953	2.8
195.11710	6.4
196.12465	2.4
197.09520	1.8
197.13185	7.5
199.11157	2.0
199.14705	2.1
200.39783	1.4
201.12732	5.8
201.16273	2.4
203.14227	9.7
207.11656	2.8
207.13747	6.8
208.12451	2.1
209.13216	5.5
209.15262	2.3
211.14825	5.8
213.16393	2.7
215.14211	1.9
219.13689	1.6
221.15334	32.2
229.15968	2.0
234.14009	1.6
234.16150	5.6
249.16347	1.8
253.15826	2.1
329.21237	2.3
391.26053	3.3
409.27271	29.3
409.34167	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	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10085	1.2
53.00272	1.0
53.03936	5.7
55.01869	2.9
55.05504	20.0
57.07066	7.5
59.04986	1.9
65.03906	2.1
67.05487	23.3
69.03404	10.1
69.07055	9.8
71.04982	1.4
79.05469	32.0
81.07036	49.1
83.04957	6.1
85.06537	2.3
89.06004	1.6
91.05458	49.1
92.09026	6.7
93.07018	61.2
95.04942	46.9
95.08577	36.6
97.06509	8.4
101.78725	1.4
103.05460	2.2
105.07008	100.0
106.63780	1.4
107.05027	1.7
107.08568	27.5
109.06519	13.4
109.10107	11.8
109.84404	1.3
111.08114	2.8
115.05439	2.6
116.06180	1.6
116.26618	1.2
117.06995	20.3
119.08550	59.1
121.06466	17.4
121.10123	19.0
123.08031	17.5
123.11701	3.1
128.06177	7.2
129.06993	12.6
130.07747	3.3
131.08536	29.4
132.09323	1.8
133.06451	2.9
133.10089	25.2
135.08038	11.6
135.11661	5.2
137.09595	6.9
141.06944	3.2
142.07753	17.6
143.08533	22.0
144.09299	6.2
145.06493	2.0
145.10100	38.4
146.10887	1.4
147.08038	14.0
147.11646	21.3
149.09569	6.6
151.07549	12.2
152.95879	1.3
153.06966	3.1
155.08537	9.1
156.09343	9.2
157.10091	28.2
158.10834	2.7
159.08032	7.6
159.11649	16.5
161.09621	5.9
161.13229	2.7
163.11186	5.2
165.09048	23.6
167.08549	5.3
168.09294	3.3
169.10048	11.4
170.10835	5.4
171.11667	10.0
173.09541	1.7
173.13251	7.2
175.11168	11.0
177.09123	1.7
179.08601	3.0
181.10071	7.4
182.10857	2.9
183.11638	10.9
185.09572	1.4
185.13164	6.3
187.14691	2.7
189.12662	2.9
192.09328	1.5
194.10921	2.2
195.11740	6.6
196.12427	2.1
197.13245	6.2
199.11296	3.1
199.15010	1.4
201.12804	6.1
203.14336	13.0
203.18089	1.4
207.11734	1.5
207.13713	2.6
209.13354	2.4
209.15263	1.6
211.14783	1.9
213.12605	1.5
215.14169	1.6
219.13768	2.5
221.13268	3.2
221.15305	35.8
225.16403	2.1
234.16151	5.8
253.15929	1.5
286.19235	1.7
287.20062	3.0
300.20834	1.5
329.21231	5.3
391.26163	2.9
391.65244	1.8
409.27173	24.1
409.34912	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	409.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
53.29256	1.9
54.81769	3.3
55.05502	18.8
57.03438	2.3
57.07061	5.3
59.04995	3.1
60.15756	2.4
67.05493	22.9
69.03397	4.3
69.07046	16.3
77.42939	2.1
79.05481	32.2
81.07041	46.1
83.04967	3.3
83.08599	4.1
83.79851	2.2
85.06520	3.8
91.05463	48.4
92.08717	3.2
92.09213	3.3
93.07026	54.4
95.04946	34.9
95.08593	34.6
96.37855	2.0
97.06493	11.7
98.26614	2.0
103.05491	3.4
105.07006	100.0
107.08584	35.2
109.06488	15.0
109.10127	17.2
115.05440	2.6
117.07022	18.2
117.78117	1.9
119.08559	51.6
121.06513	20.5
121.10091	20.3
123.08041	15.1
123.11674	2.6
128.06192	9.4
129.06993	11.2
130.07791	4.2
131.08536	24.8
132.09338	2.6
133.06412	3.1
133.10089	29.9
135.08044	5.7
135.11676	11.4
137.09578	4.6
141.07011	3.2
142.07761	13.2
143.08548	25.1
145.06464	2.5
145.10083	35.5
146.10789	2.8
147.08017	13.7
147.11644	19.7
149.09636	2.8
151.07539	12.8
155.08580	5.6
156.09343	4.1
157.10114	22.5
159.08012	3.0
159.11642	17.5
161.09636	3.4
161.13217	8.9
163.14783	4.2
165.09039	16.8
168.09239	2.5
169.10115	5.6
170.10886	5.3
171.11671	10.5
173.09543	2.7
173.13206	5.2
175.11177	9.1
175.14815	4.2
177.16347	2.6
178.54796	2.2
179.08612	4.8
181.10176	7.8
182.10883	2.6
183.11667	10.4
185.09572	2.7
185.13167	4.2
187.11151	2.5
187.14728	3.0
189.12732	4.0
189.16452	2.6
193.10126	4.2
194.10789	2.8
195.11734	3.3
196.12424	4.5
197.13199	3.4
203.14253	3.4
207.13722	2.8
208.32510	2.2
209.13103	2.5
213.12856	2.6
213.16441	3.6
218.54463	2.4
221.15347	28.0
225.16437	2.9
235.14931	2.6
241.19446	3.0
322.00360	2.8
325.84000	3.0
409.27353	21.5
409.34378	12.4
414.19849	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36420	0.2
51.02364	0.2
51.57567	0.2
53.03709	0.3
53.03938	4.6
55.01842	0.4
55.05491	0.2
57.03415	1.1
60.00133	0.2
60.61254	0.2
61.02898	0.2
61.97435	0.2
62.61398	0.2
64.75140	0.2
64.92690	0.3
65.57038	0.2
69.03069	0.4
69.03413	9.4
69.07049	9.4
70.03785	0.2
70.20379	0.2
71.04954	1.3
73.02869	0.3
79.05472	4.6
81.03394	22.9
85.02432	0.3
85.02886	7.3
88.97539	0.2
92.08714	0.8
92.09302	0.5
95.04938	6.2
97.02863	12.1
97.06486	0.4
99.04431	3.2
105.03370	100.0
105.04521	2.5
106.03699	0.4
109.02856	12.2
114.62536	0.2
115.07512	0.3
116.04968	1.2
123.04385	5.7
127.03879	8.3
132.91737	0.2
133.10095	0.3
145.04939	1.6
145.66487	0.3
225.41647	0.3
241.10616	4.9
249.07509	22.3
259.11737	1.2
267.08548	7.2
290.92303	0.3
366.43237	0.3
385.48294	0.3
409.25620	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00370	0.4
53.03925	0.4
56.13520	0.3
69.03406	3.0
70.06583	0.5
74.02418	0.9
79.05464	0.6
81.03398	2.0
84.57111	0.4
84.59147	0.4
85.02889	4.7
91.05463	1.8
92.08830	1.9
93.07032	0.7
95.01295	4.8
95.04958	0.7
97.02882	1.5
103.05473	0.8
103.75711	0.5
105.07024	3.1
106.07341	0.8
107.04942	7.9
107.08500	0.5
108.05274	2.6
109.02828	0.6
112.22828	0.5
113.02347	7.6
114.05479	1.7
115.05434	2.3
117.06985	1.0
118.06518	27.2
119.08548	1.7
126.98489	0.5
127.03909	1.7
130.06509	2.8
131.04906	0.5
132.08072	8.9
133.06448	1.8
134.06830	0.8
135.08009	4.2
136.08397	1.5
137.05986	3.3
138.06281	0.7
142.06544	3.0
143.07280	2.7
144.08058	21.5
144.09146	0.8
146.05989	90.6
149.04585	0.6
151.07607	1.5
159.09154	9.2
160.07541	0.8
161.05968	1.8
162.06439	0.6
163.07494	6.1
164.07840	3.1
165.09088	1.0
166.07251	5.4
167.07001	10.6
168.07365	4.1
170.04633	0.7
170.05983	7.9
188.07031	100.0
193.08533	1.0
194.08946	0.6
195.10141	3.8
196.10489	1.7
205.09691	28.5
211.09644	2.0
212.09991	0.8
229.10701	3.6
230.10971	2.7
257.06561	0.7
305.32822	0.5
409.14459	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	409.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
55.01866	0.5
57.03424	0.5
62.14056	0.3
63.31155	0.4
69.03418	3.7
71.04958	0.6
74.02418	0.9
74.55141	0.4
76.28003	0.3
78.04686	0.5
79.05476	0.5
81.03398	3.5
82.50091	0.4
82.60713	0.4
84.33588	0.4
85.02888	5.2
88.07618	1.5
91.05476	1.5
92.09003	2.3
93.07029	0.7
95.01302	8.7
97.02842	1.4
99.04402	0.6
103.05458	1.9
104.37939	0.4
105.03372	0.5
105.06990	2.6
107.04931	6.0
108.05270	1.6
109.02828	1.7
109.45542	0.4
113.02337	13.7
114.05509	5.9
115.05464	1.3
117.07014	1.6
118.06512	26.5
119.01832	0.5
119.08556	0.6
124.05199	0.5
127.03870	1.6
130.06491	2.5
132.08073	6.6
133.06503	0.9
135.08028	2.7
136.08417	0.6
137.02240	0.4
137.05946	2.0
138.01790	0.3
142.06516	1.6
143.07272	2.8
144.04388	0.5
144.08057	21.0
146.05980	87.0
147.04387	0.6
149.04546	2.8
149.05949	0.7
151.07542	1.3
155.03371	0.5
159.09149	8.7
160.07562	1.5
161.05878	1.4
162.06277	0.4
163.07487	5.6
164.07857	3.0
165.09145	0.6
166.07199	19.6
167.07007	10.9
168.07372	3.8
169.04906	1.4
170.04631	0.8
170.05966	6.6
181.08540	0.8
182.08940	0.5
188.07024	100.0
193.08554	0.9
194.08914	0.7
195.10112	2.8
196.10468	1.7
205.09682	26.3
211.09683	0.7
212.09956	0.5
216.08734	0.9
229.10779	2.8
230.10974	1.7
244.08009	0.7
257.06567	0.7
301.04770	0.4
330.75986	0.4
352.66821	0.4
363.05023	0.6
409.14474	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.21448	0.4
67.05488	0.5
69.03423	2.9
71.04984	0.6
81.03398	1.9
81.04520	15.8
81.07032	1.0
85.02900	1.7
85.06508	0.5
88.00130	0.4
92.08653	0.5
92.09171	0.7
95.04962	1.7
95.06070	11.4
95.08569	0.5
97.02862	0.9
97.06538	0.5
99.04424	0.4
105.03370	12.1
105.53827	0.4
107.08574	0.5
109.02849	0.5
109.10159	1.0
123.04446	0.5
123.11652	0.4
125.07082	16.2
125.09615	2.7
125.95689	0.4
143.08125	45.2
211.13428	0.6
229.17992	0.4
241.50735	0.4
377.38153	0.4
409.18304	100.0
410.18750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01851	0.3
55.05502	3.3
56.05824	0.9
57.03411	1.2
57.07045	0.4
61.02916	0.3
67.05484	1.8
68.04991	0.2
68.05804	0.3
69.03419	2.6
69.07046	0.9
70.03723	0.3
70.06561	0.3
70.07388	0.3
71.04951	0.9
72.08121	1.4
77.03888	0.3
79.05475	2.2
81.03422	4.5
81.04520	36.6
81.07035	2.8
82.05295	0.4
82.07357	1.0
83.04961	2.4
83.06080	1.2
83.08604	1.8
84.05289	0.9
84.08935	0.9
85.02885	2.6
85.06512	0.5
86.03223	0.3
88.49818	0.2
88.57970	0.2
91.05431	0.5
92.05770	0.3
92.08723	0.2
92.09206	0.4
93.07017	1.5
94.07319	0.4
95.05036	3.1
95.06068	23.6
95.08580	1.6
96.05255	0.3
96.08920	0.3
97.02857	1.9
97.05578	0.2
97.06507	1.5
98.06816	0.3
98.10551	0.2
98.97563	1.4
99.04405	0.5
105.03368	26.3
105.07024	2.0
106.03732	0.5
106.07312	0.3
107.06094	0.5
107.08577	3.2
108.08916	1.2
109.02869	1.8
109.06487	2.7
109.10132	3.3
110.06815	1.2
110.10460	1.4
111.07197	0.2
111.08042	0.8
119.08559	1.1
120.08914	0.3
121.10110	2.5
122.10447	1.5
123.04414	1.1
123.08005	0.4
123.10864	0.3
123.11696	1.1
125.07086	37.8
126.09911	0.3
127.03851	0.9
131.08516	1.1
132.08862	0.4
133.10101	3.1
134.10443	2.0
135.07979	0.3
135.10748	0.5
136.07515	0.3
137.09590	0.3
143.08131	100.0
145.10172	0.4
147.11685	0.5
148.12015	0.9
149.13304	0.3
150.13571	0.3
151.11148	1.4
152.11513	1.1
153.09013	0.3
154.09398	0.3
167.14253	1.2
168.14638	1.3
169.14915	0.4
173.13239	1.3
174.13568	1.4
175.13757	0.4
191.14328	0.9
192.14653	0.5
193.14940	0.4
209.15317	2.9
210.15688	3.0
211.13315	0.3
211.15942	2.4
212.16249	0.4
228.16626	0.5
229.17026	0.3
249.07635	0.4
313.08099	0.3
325.13293	0.3
349.10037	0.3
409.15665	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35292	0.2
53.03929	1.6
53.31481	0.2
53.87819	0.2
55.01852	0.3
55.05494	0.7
57.03425	0.5
59.60741	0.2
61.02885	0.2
67.05488	1.9
69.03415	11.1
69.04550	0.4
69.07047	0.7
71.04957	1.5
79.05478	2.1
81.03423	5.2
81.04523	37.2
81.07029	1.7
82.05315	0.3
83.06070	1.5
85.02898	3.4
85.06512	1.6
86.09682	0.3
91.05460	1.3
92.08858	1.5
93.07023	1.9
95.04949	2.4
95.06067	24.6
95.08572	2.1
97.02863	2.8
97.06490	0.6
99.04433	0.7
99.05554	0.4
105.03374	31.7
105.06998	1.6
106.07351	0.3
107.06052	1.1
107.08573	2.4
109.02851	1.9
109.06533	0.4
109.10123	3.2
111.08051	1.6
119.08563	1.4
121.10112	1.4
123.04410	2.1
125.07094	40.3
125.09604	14.6
127.03882	1.0
133.10109	1.6
133.50737	0.3
135.11620	0.6
137.09598	1.7
139.11217	0.3
143.08139	100.0
147.11630	0.3
149.13220	0.4
175.11104	0.3
175.14816	0.5
193.12267	0.7
193.15843	1.5
211.13359	0.5
211.16930	3.4
212.13535	0.4
229.17976	0.5
249.07527	1.1
409.10764	2.3
409.17444	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	409.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72959	0.2
51.85500	0.1
53.03931	1.1
55.01860	0.2
55.05488	0.3
56.89893	0.2
59.23779	0.2
59.50982	0.2
67.05491	0.2
68.05006	0.2
69.03426	2.3
69.04551	0.3
69.07056	0.3
71.04971	0.4
77.03902	0.2
77.92207	0.2
79.05470	1.6
81.03438	3.7
81.04523	35.5
81.07029	0.9
82.05325	0.3
83.04960	0.3
83.06084	1.1
83.40746	0.2
85.02892	1.4
85.06531	1.0
85.59656	0.2
92.09188	1.2
93.07025	0.5
95.04954	2.2
95.06072	24.6
95.08610	0.7
97.02874	2.1
99.04427	0.3
99.05558	0.5
99.08057	0.3
105.03374	25.7
105.06998	0.9
107.06068	0.8
107.08588	0.3
109.02892	1.7
109.10143	0.3
119.08565	0.9
121.10100	0.2
123.04396	1.4
125.07090	39.5
125.09594	1.0
126.07423	0.3
127.03904	1.0
133.10123	1.2
135.11714	0.3
137.09726	0.2
143.08138	100.0
144.08524	0.2
147.11655	0.3
179.55214	0.2
191.52020	0.2
191.53902	0.2
211.16988	0.3
230.10994	0.2
249.07541	0.9
350.98535	0.2
409.15933	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	409.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.3
53.03939	1.5
55.05511	0.4
57.03439	0.3
59.04016	0.2
67.01852	25.8
67.05497	0.5
69.03403	0.5
69.07063	0.6
71.04977	4.0
79.05476	1.8
81.03394	5.8
81.07031	1.4
83.08606	0.5
85.02889	3.7
85.06446	0.3
88.37505	0.3
89.03888	6.0
91.05461	12.1
92.05788	2.1
92.09089	1.5
93.06433	0.3
93.07000	0.5
95.04954	1.1
95.08585	2.2
97.02908	0.6
99.04434	6.5
105.03389	1.3
107.04948	3.8
109.02867	5.2
109.10145	1.2
117.03358	9.8
119.08498	0.3
121.10104	0.2
127.03892	61.2
133.10118	0.3
135.04390	27.0
141.52496	0.2
142.00249	0.3
145.02832	19.1
147.11664	0.4
163.03870	100.0
165.16379	1.1
166.16612	0.3
169.04927	2.4
174.24620	0.3
211.16875	0.3
288.21313	0.3
289.06979	5.2
317.66718	0.3
392.60736	0.3
409.22205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.5
53.03933	2.9
55.01853	1.7
55.05497	2.6
57.03419	1.0
57.07054	1.0
61.02914	0.9
65.28649	0.4
67.01500	0.9
67.01852	26.3
67.05494	4.2
69.03411	4.0
69.07038	4.5
71.04972	5.7
79.05470	3.8
81.03397	7.8
81.06599	0.7
81.07036	11.5
82.07381	1.0
83.04950	0.4
83.08593	2.4
85.02887	7.0
85.06521	2.4
89.03890	7.9
91.05457	2.4
92.08714	0.9
92.09227	0.6
93.07005	2.9
95.04930	2.4
95.08581	7.5
97.02863	3.0
97.06503	0.8
97.10149	0.7
99.04436	6.5
99.08086	0.7
99.67491	0.4
105.03370	15.5
105.07016	6.4
107.04943	3.5
107.08588	3.1
108.77447	0.4
109.02860	5.9
109.06495	1.6
109.10157	2.9
110.06824	0.4
111.08067	0.8
117.03357	10.7
119.08550	5.0
120.08869	0.6
121.10123	3.4
123.04434	0.6
123.11668	5.2
127.03888	59.0
133.10091	2.5
135.04381	23.5
135.11653	0.5
137.13219	0.8
143.03377	14.7
145.02835	17.8
145.10120	0.7
147.11659	10.0
148.11972	3.0
151.14742	1.7
156.14746	0.5
159.11694	0.5
163.03870	100.0
165.12712	4.1
166.13065	1.0
169.04973	1.9
175.14807	0.7
183.13808	0.8
189.69757	0.5
193.12256	0.7
193.15829	2.0
193.19510	0.5
194.16177	0.5
211.16867	0.9
229.14259	8.6
229.17889	0.5
230.14618	4.5
249.07614	1.7
289.06976	5.3
392.88248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.3
53.03939	1.5
55.05511	0.4
57.03439	0.3
59.04016	0.2
67.01852	25.8
67.05497	0.5
69.03403	0.5
69.07063	0.6
71.04977	4.0
79.05476	1.8
81.03394	5.8
81.07031	1.4
83.08606	0.5
85.02889	3.7
85.06446	0.3
88.37505	0.3
89.03888	6.0
91.05461	12.1
92.05788	2.1
92.09089	1.5
93.06433	0.3
93.07000	0.5
95.04954	1.1
95.08585	2.2
97.02908	0.6
99.04434	6.5
105.03389	1.3
107.04948	3.8
109.02867	5.2
109.10145	1.2
117.03358	9.8
119.08498	0.3
121.10104	0.2
127.03892	61.2
133.10118	0.3
135.04390	27.0
141.52496	0.2
142.00249	0.3
145.02832	19.1
147.11664	0.4
163.03870	100.0
165.16379	1.1
166.16612	0.3
169.04927	2.4
174.24620	0.3
211.16875	0.3
288.21313	0.3
289.06979	5.2
317.66718	0.3
392.60736	0.3
409.22205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	13.3
57.03412	1.7
57.07063	1.4
59.04988	1.8
66.85487	1.3
67.05506	12.6
69.03419	7.7
69.07056	27.9
71.04972	13.5
79.05460	6.3
81.03399	2.5
81.07042	19.6
83.04958	2.4
83.08609	18.4
85.02898	17.1
85.06540	3.7
91.05460	6.0
92.08883	8.0
93.07019	28.4
95.04937	3.1
95.08588	37.1
97.02876	5.9
97.06512	22.4
97.10169	1.9
99.04439	9.9
105.07005	14.1
107.08572	35.6
109.06496	16.0
109.10142	50.8
111.08076	6.3
111.11681	2.7
115.07570	14.5
119.08562	33.0
121.10130	14.9
123.08044	15.9
123.11699	21.0
125.09660	3.2
127.11177	2.6
133.10107	63.5
135.11667	58.8
137.09572	13.0
137.13196	2.3
141.12741	1.9
147.11639	7.0
149.13240	19.2
151.14836	1.8
153.12753	2.5
163.14729	1.8
167.14247	2.1
175.14784	81.8
177.16386	3.3
193.03508	1.5
193.15855	70.1
211.16905	100.0
224.06715	1.6
235.02304	1.6
246.82285	1.6
270.67313	1.7
385.62909	1.5
389.35947	1.7
409.18286	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	408.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01857	1.1
55.05505	15.3
57.03422	4.4
57.07058	1.7
59.04984	1.7
61.02906	1.1
66.36558	0.7
67.05497	11.1
69.03415	9.6
69.07056	25.1
70.06559	0.8
71.04621	0.8
71.04981	15.0
72.08141	26.5
79.05472	8.1
81.03387	5.0
81.07043	21.0
82.06561	3.6
83.04963	1.4
83.07343	1.6
83.08605	12.9
84.08121	0.8
85.02894	13.8
85.06519	9.6
91.05457	5.1
92.08878	1.2
92.64005	0.9
93.07030	22.1
95.04955	5.5
95.08590	30.0
97.02902	5.6
97.06514	18.8
97.10149	0.9
98.05941	0.8
99.04430	6.7
99.08050	3.5
100.07577	3.7
105.03383	24.8
105.07019	8.7
107.04942	33.0
107.08578	29.6
109.02882	2.9
109.06490	11.6
109.10140	42.1
111.08083	4.7
111.11671	1.5
112.07591	1.7
113.05960	1.0
113.09650	1.0
115.07558	5.6
119.04908	1.7
119.08567	24.3
121.10136	12.1
123.04419	5.4
123.08042	10.5
123.11689	28.5
125.09616	12.9
127.03930	1.9
127.07593	1.4
127.11137	4.6
133.10106	49.0
135.11676	48.7
136.07593	8.6
137.09593	7.6
139.11128	1.3
141.48987	0.7
143.08134	1.0
145.04913	1.1
147.11673	5.0
149.13237	17.9
151.11156	3.2
151.14799	1.4
153.12712	6.6
153.13832	0.9
155.10637	3.1
165.05495	5.5
165.12709	1.7
166.12218	0.9
169.12206	1.2
172.37312	0.8
173.09586	1.0
175.14795	55.9
177.09090	4.6
177.16382	1.2
181.13318	3.7
182.08104	3.5
187.13258	3.6
190.12253	1.8
193.15852	52.7
199.14452	2.8
210.67427	0.8
211.16911	100.0
219.10196	0.9
226.74059	0.8
227.14046	1.0
229.14320	4.7
229.17953	1.2
244.91063	0.9
249.07518	3.2
267.08572	3.3
278.24243	0.8
281.14832	3.7
380.21558	5.1
408.21066	8.1
409.18045	1.5
414.21173	0.8
423.19937	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43846	0.4
53.03904	0.5
53.77645	0.5
55.01836	0.8
55.05496	5.4
55.13205	0.5
57.03421	2.2
57.07063	1.0
59.04979	0.7
61.02910	0.9
64.87419	0.5
67.05500	7.1
69.03406	5.5
69.06672	0.6
69.07049	19.6
71.04974	37.6
72.18643	0.5
73.02879	0.7
79.05457	3.8
81.03391	2.2
81.07037	13.1
82.07388	0.6
83.04953	2.5
83.08604	9.7
84.34726	0.5
85.02889	9.4
85.06536	5.4
91.05444	3.8
92.09000	3.8
93.07017	13.0
95.04942	2.3
95.08585	25.3
96.08897	0.7
97.02863	2.9
97.06511	7.5
97.10123	1.0
99.04429	84.9
99.08044	2.6
105.03368	0.9
105.07001	5.4
107.04887	0.6
107.08573	17.5
109.02836	0.7
109.06495	4.3
109.09373	1.2
109.10134	32.1
110.06925	0.5
111.08049	2.1
111.11694	2.3
113.09612	8.3
115.07550	6.6
119.04987	0.7
119.08550	11.2
121.10103	8.4
123.08031	9.4
123.11679	8.6
124.08356	4.1
124.12038	0.6
125.08721	0.9
125.09592	13.4
127.03894	1.3
127.11160	4.6
129.09157	0.6
133.09164	1.0
133.10097	15.1
135.11658	38.9
137.09618	4.0
139.11133	2.6
141.09074	1.1
141.12712	4.6
143.10706	0.7
145.04910	0.6
145.10144	0.8
147.11649	3.1
149.09560	0.6
149.13261	4.0
151.11130	0.9
151.14787	5.6
153.12737	4.6
163.14777	0.7
165.12726	2.1
165.16292	1.1
169.15770	1.2
173.13174	1.0
175.14778	23.5
176.69788	0.6
177.16292	0.9
183.13852	0.7
191.14220	0.9
193.12270	0.6
193.15836	26.5
206.12999	0.5
211.16891	100.0
227.16470	0.8
228.16737	2.2
229.17940	0.8
409.16257	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61005	0.4
53.03926	2.5
54.81516	0.5
55.01858	0.8
55.05503	7.6
57.03437	3.2
57.07064	2.6
61.02893	0.8
67.01850	4.3
67.05492	6.3
69.03416	4.7
69.07053	9.5
69.49291	0.4
71.04971	3.2
71.08598	1.8
77.03883	0.5
79.05476	11.4
81.03387	8.0
81.07037	16.7
82.33479	0.4
83.04971	0.7
83.08601	10.1
85.02892	25.2
85.06536	2.4
89.03856	0.5
91.05456	3.6
93.07020	4.8
95.04947	6.3
95.08582	47.8
96.53672	0.4
97.02853	4.2
97.06489	2.0
97.10136	4.6
99.04431	2.3
99.08037	0.4
103.03911	2.4
105.03371	53.4
105.04504	1.6
105.06988	2.4
107.04939	100.0
107.08562	3.9
108.05305	0.7
109.02877	5.6
109.06503	0.9
109.10139	29.2
111.08085	1.9
113.05984	0.9
115.07544	0.5
117.03388	1.8
119.08562	3.5
119.92905	0.4
121.10122	2.8
123.04399	8.0
123.08058	2.7
123.11680	7.1
125.09623	0.9
127.03899	12.2
127.07592	1.7
131.57802	0.5
133.10092	2.7
135.04385	3.1
135.11694	2.2
137.09572	2.2
145.02858	3.2
145.04988	0.7
147.11621	0.9
149.13229	5.8
151.14830	2.3
163.03870	17.8
165.16357	37.4
167.14288	4.6
175.14784	6.6
185.15344	4.6
193.15869	9.9
211.16899	18.2
211.18825	0.9
211.49106	0.5
215.06927	0.6
229.17929	6.1
231.06639	0.7
239.72327	0.4
249.07597	4.3
267.08585	12.1
267.15848	1.8
289.06882	0.5
298.83636	0.4
327.73840	0.4
333.16647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24972	0.5
53.03928	2.8
54.64165	0.5
55.01856	1.1
55.05511	7.7
56.96555	0.6
57.03415	2.5
57.07047	2.9
61.02912	0.8
64.05186	0.5
66.91164	0.5
67.01844	3.0
67.05489	8.0
69.03417	5.9
69.06773	0.5
69.07051	9.2
69.91022	0.5
71.04962	3.8
71.08625	0.6
79.05474	11.9
81.03397	7.0
81.07038	17.1
83.04946	0.7
83.08607	9.1
85.02419	1.1
85.02888	20.6
85.06531	1.1
89.03892	0.8
91.05457	3.7
92.08981	5.5
93.07020	4.9
95.04963	5.1
95.08585	46.1
97.02850	5.1
97.06501	3.1
97.10146	4.1
99.04416	2.4
103.03928	2.5
105.03374	46.2
105.07014	3.3
107.04939	100.0
107.08581	4.6
108.05240	0.8
109.02866	5.3
109.06499	0.9
109.10137	27.8
111.08067	2.6
113.05995	1.1
117.03389	0.8
119.08540	4.5
121.10110	3.3
123.04411	7.4
123.08041	3.1
123.11688	5.5
125.09596	0.8
127.03877	9.3
127.07571	0.7
133.10068	3.8
135.04384	1.2
135.11688	1.4
135.43282	0.6
137.09605	1.4
145.02858	1.2
145.04849	0.7
147.11655	1.3
149.13203	4.6
151.11172	1.2
151.14749	2.7
155.10751	1.0
163.03854	11.2
165.16350	36.1
167.14259	5.2
175.14784	7.6
185.15343	4.5
193.15857	11.7
211.16901	15.6
229.17964	6.1
231.06528	1.3
231.92015	0.6
249.07491	3.3
267.08569	14.5
296.29459	0.7
312.99597	0.7
355.21832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60380	0.5
53.03930	1.1
55.01868	5.1
55.05504	7.2
57.03432	4.5
57.68436	0.6
61.02910	4.1
64.08061	0.6
64.45245	0.6
67.05492	16.9
69.03414	9.9
69.07050	15.5
71.04976	4.7
72.87577	0.6
73.02883	1.1
79.05461	9.6
81.03394	4.0
81.07036	67.7
81.15166	0.6
83.04972	5.5
83.08598	8.4
85.02888	34.8
85.06508	4.5
87.04437	0.8
90.88890	0.6
91.03947	1.4
91.05460	17.4
92.08750	2.2
92.09274	1.1
93.07011	10.7
95.04948	1.0
95.08578	14.3
97.02869	11.0
97.06507	6.3
99.04424	1.3
99.08058	3.0
105.07013	33.3
107.08569	12.4
109.02875	1.5
109.06493	5.7
111.08073	0.7
113.05991	0.7
119.08553	30.0
121.10120	29.5
123.08018	6.0
123.10774	1.4
123.11679	40.8
127.03957	4.6
127.07533	3.5
133.10106	4.3
137.13220	3.8
141.09026	0.9
145.04939	3.7
147.11662	100.0
148.11932	0.7
157.10136	1.0
165.12709	55.5
175.11171	3.1
180.08652	2.9
183.13779	10.5
193.12276	4.7
211.13167	7.4
229.14310	94.3
336.93356	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
54.81549	1.2
55.01858	4.3
55.05503	22.0
55.61233	0.8
57.03418	1.4
58.99562	4.7
61.02900	1.3
63.48251	0.7
67.05488	18.3
68.52759	0.8
69.03408	6.6
69.07048	9.5
69.32587	0.7
71.04969	41.1
76.02194	2.0
79.05466	14.2
81.03396	4.0
81.07030	16.7
83.04965	5.6
83.08598	18.0
84.04482	8.9
85.02888	16.8
85.06520	6.2
86.99026	4.9
87.04449	1.5
91.04884	1.4
91.05451	40.3
91.78231	0.8
92.08842	7.5
93.07008	16.8
95.04939	5.1
95.08578	5.4
97.02857	5.3
97.06498	13.9
99.04424	1.6
99.08077	1.7
105.03356	1.6
105.07012	32.0
105.07721	1.1
107.04928	1.2
107.08584	14.5
109.06477	10.0
109.10155	8.7
111.08054	4.8
113.05994	1.5
116.01648	24.3
117.06953	1.1
119.08552	25.9
120.08063	1.7
121.06500	1.3
121.10143	7.3
123.08009	4.3
125.05961	1.2
127.03850	1.2
129.06989	14.6
130.04959	1.3
131.08542	20.9
133.06474	2.2
133.10098	88.8
135.08006	1.5
137.05943	1.1
137.09596	1.0
142.03195	1.5
142.07758	4.1
144.01096	9.2
145.10074	0.9
147.08026	5.6
147.11668	32.0
149.09610	9.2
151.07527	1.4
151.11156	3.9
157.10086	28.5
159.08344	9.7
162.02151	23.8
163.11122	1.9
165.12714	4.6
167.06979	2.0
169.08560	1.1
175.11139	48.7
193.12209	34.7
210.15677	0.9
211.13245	100.0
229.10870	1.0
229.14297	5.2
262.10989	9.9
271.10651	1.2
279.13733	6.7
333.14587	1.7
391.14551	1.4
408.18283	1.1
409.16061	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	408.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44835	0.9
53.03937	4.9
55.01857	6.4
55.05502	14.4
57.03427	10.0
57.07063	2.7
61.02909	5.2
62.02545	1.1
67.05492	37.7
68.05849	1.2
69.03419	12.8
69.07059	19.6
71.04978	18.1
79.05473	26.5
81.03404	25.5
81.07039	80.3
82.07354	1.7
83.04964	10.0
83.08606	8.1
84.04494	1.7
85.02892	29.0
85.06514	16.6
86.09685	5.9
90.65622	1.3
91.03943	1.4
91.05457	46.3
92.09109	7.1
93.07021	22.7
94.07352	1.6
95.04961	18.8
95.08577	30.5
97.02869	15.3
97.06520	13.4
97.10143	1.8
99.04430	5.6
99.08070	56.7
105.03400	4.7
105.04613	1.1
105.07011	44.1
107.04939	2.8
107.08569	27.1
108.08901	2.5
109.02866	2.8
109.06505	20.1
109.10130	22.9
111.04417	1.5
111.08070	7.7
113.05996	2.6
114.41685	1.3
115.05509	1.4
119.04953	1.9
119.08562	30.2
120.08068	1.9
121.06462	1.9
121.09315	1.8
121.10103	12.7
123.00794	1.4
123.08047	7.4
123.11620	9.0
125.09573	5.0
127.03893	7.5
127.07543	2.0
129.06984	5.5
131.08539	17.7
132.08798	1.2
133.06429	2.4
133.10106	100.0
134.10428	7.5
135.07985	2.5
135.11673	7.7
137.05954	16.6
137.09587	6.5
141.09067	2.6
145.02779	2.3
145.04907	1.9
145.10156	2.2
147.08054	2.7
147.11674	28.1
149.09590	6.8
149.13268	6.2
151.07487	2.2
151.11162	16.4
151.37193	1.2
152.11427	1.8
155.07053	1.6
157.10115	7.6
165.12761	8.6
171.03979	1.3
173.13229	2.7
174.13542	1.8
175.11154	19.9
175.14839	12.1
179.03345	1.6
181.04964	1.8
183.13770	1.3
191.14287	6.4
192.14558	4.5
193.12215	19.4
193.15886	19.6
209.15349	7.5
210.15643	9.1
211.13260	30.4
211.16759	6.9
217.37579	1.2
222.58578	1.2
229.14314	72.8
267.15823	15.4
299.11456	1.6
396.38492	1.3
409.18185	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	408.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40162	0.3
52.34939	0.3
53.03938	0.5
53.39783	0.3
55.01857	0.5
61.02920	0.7
67.43515	0.3
69.03407	2.1
72.21879	0.3
73.52365	0.3
78.04678	0.4
79.05471	1.3
81.03402	1.5
85.02898	5.9
91.05470	5.0
92.08946	0.5
92.11709	0.4
93.07033	8.4
94.07289	0.3
94.27123	0.4
95.04933	1.7
97.02861	1.7
102.09378	0.3
103.05444	5.9
105.06985	2.7
106.04134	0.4
107.04962	3.1
109.02834	0.6
115.05436	0.4
119.04926	0.6
121.05610	0.7
121.06480	16.4
123.04401	2.7
124.05219	0.7
131.04904	0.3
131.05984	0.5
133.06461	4.0
135.08000	0.5
137.05986	4.6
145.04926	0.5
149.05968	31.6
151.03940	0.5
152.04642	1.5
161.05975	5.1
163.07594	2.7
166.06224	6.3
167.07010	100.0
180.07614	0.5
180.08800	0.5
181.08566	40.0
193.08612	1.8
195.10118	1.4
211.09631	55.7
221.96182	0.4
277.01367	0.3
289.57214	0.3
400.74814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.2
53.21745	0.2
55.01838	0.2
55.05491	0.8
57.03412	0.2
59.69188	0.1
60.25475	0.1
61.02898	0.4
61.88991	0.1
63.49882	0.1
69.03424	1.9
70.06568	0.9
72.08138	5.1
78.04707	0.3
79.05457	0.3
81.03400	0.9
82.06579	0.2
83.04965	0.3
84.08136	0.2
85.02895	3.8
85.06516	0.2
91.05462	0.4
92.09073	0.3
93.07005	1.0
95.01286	0.8
95.04932	0.7
97.02880	1.8
99.04424	0.7
100.07577	0.3
103.05463	0.3
105.06989	0.8
106.04143	0.4
107.04938	0.6
107.08569	0.2
109.02850	1.0
109.06516	0.2
111.04426	0.3
113.02338	1.1
121.06493	1.4
123.04423	1.8
124.05169	0.8
127.03906	0.8
128.07037	0.8
133.06517	0.6
133.10098	0.4
136.07535	0.4
137.05978	0.3
145.04967	0.2
147.08011	0.2
149.05954	2.6
152.04668	1.2
161.05963	0.9
162.73566	0.2
166.06218	0.8
167.07007	100.0
168.07335	0.7
179.06990	0.4
181.08600	2.5
182.08173	0.2
182.11714	0.2
193.08595	2.8
199.14375	0.7
205.08484	0.4
207.10419	0.2
211.07642	0.3
211.09639	7.6
218.11818	1.0
227.13882	0.9
229.08440	0.4
229.10675	9.2
229.12880	0.4
239.05505	0.7
247.09552	0.2
257.06433	0.2
267.44974	0.2
363.18631	0.2
364.78741	0.2
376.56870	0.2
408.21689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.1
55.57731	0.1
58.04970	0.1
65.03925	0.9
67.05494	0.2
69.03416	0.2
71.04985	0.2
74.97917	0.1
80.09766	0.1
81.03411	0.1
81.07031	0.2
85.02910	0.8
90.13016	0.1
91.05460	100.0
92.05781	0.6
92.08697	0.2
92.09238	0.2
95.08601	0.4
97.02866	0.5
97.06554	0.1
97.29710	0.1
105.03372	0.2
105.07065	0.2
107.08566	0.1
109.10137	0.2
119.08614	0.1
120.08914	0.1
121.02852	0.1
121.10110	0.1
127.03899	0.1
133.10101	0.1
145.04938	0.1
147.11690	0.2
151.14871	0.1
163.97479	0.1
165.16431	0.1
181.99722	0.1
193.15857	0.1
229.08603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84223	0.5
53.03935	9.1
54.26135	0.5
54.59336	0.5
54.81681	0.7
55.01865	1.5
55.05501	6.4
56.05011	1.0
57.03428	5.2
57.07061	0.6
59.04985	0.7
61.02911	1.0
67.05481	1.3
69.03413	35.9
69.07045	1.5
70.06579	6.2
71.04965	9.2
71.34734	0.5
72.08137	22.7
73.02898	9.1
78.11688	0.6
78.97655	0.6
79.05450	1.4
81.03398	49.9
81.07021	3.9
82.06570	2.7
83.04963	4.7
83.08618	0.7
84.08128	15.6
85.02888	29.6
85.06533	2.6
91.05466	4.1
92.09019	2.5
93.07016	4.5
94.07346	0.7
95.01305	79.5
95.04933	4.8
95.08563	4.2
97.02264	1.1
97.02869	30.6
97.06480	0.7
99.04429	30.0
99.08060	3.6
100.07577	0.9
105.06995	4.3
106.07309	0.8
107.04945	1.1
107.08575	5.5
108.08883	1.0
109.02858	36.1
109.06487	3.3
109.10133	3.2
111.04413	1.3
111.08069	0.9
113.02345	100.0
116.98530	0.7
117.05456	11.4
117.50810	0.6
119.08549	4.3
120.08113	0.8
121.06420	1.0
121.10143	4.8
122.10430	0.9
123.04395	1.5
123.08054	3.2
125.05932	0.6
125.09592	0.7
127.03886	30.5
128.07037	2.9
129.10197	3.1
130.08604	1.4
131.08472	1.1
133.10114	6.3
134.10446	1.1
135.08031	1.0
135.11632	2.9
136.07515	1.5
137.06007	0.7
137.09604	1.2
145.04901	2.9
145.10080	0.9
147.08003	1.4
147.11560	3.8
148.12001	1.2
151.11179	1.0
157.10071	0.7
162.74461	0.8
165.05421	1.0
167.06985	12.0
173.13152	0.9
175.11107	1.5
179.14275	1.6
182.11687	0.9
189.05281	1.1
191.14183	0.8
192.14598	1.3
193.08505	1.0
193.12254	2.9
193.15851	1.6
197.15376	1.1
199.14439	1.6
205.08701	2.6
209.15343	3.4
210.15741	1.3
211.09637	3.0
211.13229	1.5
218.11681	2.8
221.04303	0.9
227.13799	3.4
227.16280	1.0
229.10738	2.9
229.14397	1.0
239.05431	50.6
246.08578	3.1
246.11009	0.8
247.09554	0.9
257.06509	20.7
264.12180	3.4
341.84579	0.7
408.17090	3.4
408.21191	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	408.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.9
55.05503	1.4
57.03423	6.3
61.02916	1.3
66.45850	0.6
69.03416	35.1
70.06572	1.5
71.04972	7.3
72.08123	4.6
73.02907	11.0
79.05456	0.9
80.06596	0.6
81.03398	51.9
81.07023	1.6
83.04964	1.4
84.04497	1.2
84.08128	15.9
84.59598	0.6
85.02887	28.6
85.06503	0.9
91.05453	1.2
92.08919	2.5
93.07030	3.1
95.01308	85.1
95.04922	1.3
95.08600	1.0
97.02869	33.0
99.04434	29.6
105.07018	0.9
107.08576	1.4
109.02145	1.3
109.02863	35.7
109.06500	4.0
113.02348	100.0
117.05482	12.4
119.08571	1.3
121.10135	1.2
123.04418	0.9
123.08023	0.7
127.03891	25.8
128.07040	1.4
129.10190	2.9
130.08606	3.8
133.10083	1.6
137.05937	4.8
137.09631	1.0
145.04906	2.8
147.04411	1.5
147.07993	0.8
147.11311	1.5
151.07613	1.0
155.03331	0.8
165.05460	1.6
167.07056	1.3
181.08517	0.8
185.04341	0.7
189.05618	0.7
193.08572	0.9
196.07317	1.7
197.07999	4.1
197.15303	1.0
211.09669	5.1
225.07535	0.7
227.15804	0.7
229.10725	1.1
230.09094	1.1
239.05452	52.9
246.07558	1.1
246.11365	0.7
257.06494	18.6
273.09781	1.0
288.13803	0.7
297.79654	0.8
407.15378	3.0
408.16965	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	407.367
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
51.02367	2.7
55.05507	28.2
57.07063	14.6
57.74740	2.3
60.13871	2.3
64.97088	3.3
67.05493	50.6
69.07058	62.6
74.48794	2.4
75.97572	2.4
79.05465	32.5
81.07044	100.0
83.08601	21.8
86.34257	3.2
91.05457	29.1
92.63734	4.1
93.07023	60.8
95.04948	4.3
95.08582	92.5
97.10142	4.4
105.03399	3.3
105.07020	87.3
107.08588	73.8
109.06445	3.6
109.10133	99.1
112.99991	7.4
117.07014	4.9
119.08568	76.6
121.10107	54.8
123.11696	30.0
129.06912	3.9
131.08525	21.3
133.10100	47.0
135.11693	39.0
137.13200	16.8
143.08556	11.1
145.10135	38.9
147.11667	39.6
148.42561	3.4
149.13213	22.1
157.10101	15.3
158.10799	3.1
159.11646	27.2
160.12279	2.8
161.13185	30.4
163.14812	5.1
169.02548	4.5
169.10114	3.3
169.25835	3.2
170.53810	3.3
171.11682	21.3
173.13216	17.6
175.14803	15.9
177.16344	4.0
177.56013	3.5
185.13210	16.4
187.14777	19.7
189.16350	23.8
191.17937	24.3
199.14833	12.7
201.16341	16.5
203.17952	16.6
205.19429	3.5
211.14835	5.5
213.16354	6.8
215.17851	3.9
217.19479	16.7
223.06433	4.4
225.04189	7.2
226.04305	6.7
227.04060	4.0
227.17865	4.7
229.19489	3.3
241.19522	3.5
253.19395	13.1
255.21045	6.2
269.22528	13.8
297.25803	5.3
325.28873	6.0
407.36755	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.6
53.23992	1.3
54.46042	1.4
55.05504	45.4
57.07066	21.8
63.21144	1.4
65.54034	1.5
67.05489	60.0
69.07052	75.8
71.08603	2.8
79.05473	23.6
81.07037	96.2
83.08601	54.0
85.10141	2.7
85.92539	1.7
89.06003	2.0
91.05461	23.0
92.08813	2.1
93.07023	65.8
95.04934	2.9
95.08583	100.0
97.10152	14.8
99.04429	28.5
105.07009	59.3
107.08572	83.3
107.09295	2.8
109.10143	99.9
111.11692	3.7
117.06985	8.0
119.08556	74.2
121.10114	57.4
123.11673	33.0
125.05965	35.9
129.07018	1.8
131.08540	25.1
133.10100	53.3
133.11032	3.1
135.11652	42.6
137.13231	13.9
142.07767	3.3
143.08574	13.8
144.09264	3.2
145.10098	38.1
147.11671	33.0
149.13240	24.7
155.08548	1.8
156.09328	3.6
157.10074	21.6
159.11676	42.1
161.09572	2.1
161.13217	36.2
163.14783	16.7
169.10152	3.5
171.11673	18.1
173.13231	23.4
175.11183	1.9
175.14766	18.6
177.16417	6.8
183.11803	6.3
185.13266	15.1
186.14018	2.3
187.14751	21.1
189.16420	11.4
191.17883	2.0
193.12158	2.3
197.13228	7.3
199.14864	13.3
201.16350	13.1
203.17896	3.6
207.46600	1.7
210.59988	1.7
211.14851	7.9
213.16371	7.9
215.18024	10.3
217.19484	3.7
225.16312	2.4
227.17961	7.7
229.19550	8.2
241.19456	2.9
243.21112	7.4
245.22623	8.0
253.19482	1.8
255.21089	6.8
257.22610	3.4
269.22638	8.0
271.24332	2.8
281.22733	1.8
283.24203	3.6
295.24088	2.3
297.26004	7.0
309.25928	2.2
311.27411	2.0
312.16138	2.0
325.28839	3.2
337.28888	2.6
351.30484	6.2
371.33575	2.1
389.34103	23.3
407.36609	91.0
433.60297	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3667
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.00306	0.8
55.05508	19.3
57.07074	10.2
57.08067	0.9
58.75095	0.9
65.03908	1.3
67.05492	27.1
67.39996	0.9
69.07053	54.4
71.08592	1.6
79.05471	17.2
79.39208	1.0
81.07038	100.0
83.08607	15.7
87.04412	1.4
89.05994	1.3
91.05456	10.5
92.08713	3.5
92.09311	4.3
93.07021	38.1
95.04923	1.0
95.08585	60.0
97.10144	7.7
105.07016	35.2
107.08577	45.4
109.06516	1.8
109.10142	45.0
111.11696	2.6
112.70811	1.0
117.06979	2.6
119.08558	32.0
121.10113	32.7
123.11683	19.5
129.06969	2.4
131.08533	17.3
132.47908	1.0
133.10112	26.3
135.11678	24.1
137.13252	9.1
142.07750	3.7
143.08527	9.6
144.09288	1.9
145.10095	21.3
147.11670	24.2
149.13281	12.3
151.14774	1.6
155.08562	1.6
156.09312	1.2
157.10110	15.3
158.10921	1.5
159.11668	26.6
161.13202	14.0
163.14824	7.3
169.10112	4.7
171.11688	10.9
173.13234	17.9
175.14806	10.0
177.16382	6.6
183.11691	1.8
185.13219	9.6
187.14835	10.2
189.16374	6.8
191.17946	2.5
199.14789	9.0
201.16374	7.0
203.17924	4.5
211.14821	2.3
213.16304	11.2
215.16223	1.1
215.17918	10.6
217.19543	1.3
225.16496	1.8
227.17899	6.2
229.19481	7.6
241.19420	3.7
243.21028	1.8
249.84384	1.2
253.19510	1.6
255.21005	4.7
257.22644	6.0
269.22586	4.6
271.24231	1.6
281.22659	1.7
283.24207	6.0
290.59885	1.1
295.24005	1.4
297.25781	2.3
299.27225	1.3
311.27136	1.4
313.73074	1.1
323.27380	1.4
325.28915	6.1
337.28687	1.5
351.30389	5.2
407.36670	67.1
407.97339	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.1
53.27800	0.9
55.05502	16.1
57.07060	6.8
61.31355	0.9
67.05491	23.4
69.07051	62.0
71.08597	1.7
79.05479	17.6
81.07034	100.0
83.08600	18.1
83.67165	0.9
86.88682	1.0
91.05471	12.0
92.09039	4.9
93.07024	37.4
95.08583	64.3
97.10137	4.3
97.69470	0.9
105.07010	35.8
107.08569	48.5
109.06510	1.2
109.10136	45.1
111.11689	1.4
111.23040	1.0
117.06983	4.5
119.08559	36.1
121.10118	33.8
123.11678	24.6
129.06976	1.9
131.08531	15.0
133.10101	23.8
133.11026	1.5
135.11658	22.6
137.13219	8.3
138.36476	1.0
143.08560	6.6
144.09367	1.5
145.10114	20.5
147.11671	21.0
149.13228	13.6
151.14845	1.2
155.08553	1.7
156.09270	1.4
157.10107	13.2
159.11649	27.9
160.93823	1.0
161.13217	18.8
163.14780	5.8
169.10051	1.4
171.11673	12.0
173.13210	16.8
175.14812	9.4
177.16370	6.4
183.11668	1.4
184.75583	1.3
185.13231	6.3
187.14740	10.4
189.16330	8.0
191.17984	1.3
199.14816	6.3
201.16377	9.1
203.17978	5.8
211.14854	2.3
213.16411	8.9
215.17903	6.2
217.19409	1.3
227.17856	7.3
229.19510	7.1
231.21098	2.1
239.17998	1.7
241.19476	4.4
243.20975	1.6
255.21037	5.7
257.22574	4.6
269.22577	5.4
283.24139	5.1
295.24057	1.2
297.25607	2.1
325.28760	1.6
337.29013	1.4
351.30344	3.8
407.36624	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	15.1
57.07071	29.8
67.05489	20.0
69.03419	31.0
69.07056	35.7
71.04987	4.7
71.08620	20.2
79.05482	7.4
81.07049	45.7
83.08619	16.2
85.10154	7.8
91.05460	4.3
91.78387	3.7
93.07001	9.9
95.04932	7.6
95.08572	31.8
97.10153	5.4
105.07036	7.3
107.08582	20.8
109.06490	6.2
109.10133	20.6
119.08598	4.7
123.04387	33.0
125.05981	8.6
133.10048	7.0
137.05968	20.3
139.07585	4.3
141.05437	7.7
147.11671	8.0
151.07515	5.0
151.11237	5.4
160.80516	4.0
161.13239	6.4
169.10214	4.2
259.35287	3.7
389.34195	38.5
407.35049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	3.0
55.05501	50.8
57.07069	64.8
57.88018	2.8
60.31508	2.4
63.12689	2.6
67.05489	23.5
69.07053	95.4
71.08611	44.2
78.28794	2.2
79.05471	26.7
81.07038	70.2
81.88398	3.1
83.08612	52.9
85.10171	19.2
91.05451	10.3
92.08625	5.4
92.09215	10.5
93.07030	28.7
95.08578	66.8
97.06486	4.1
97.10136	28.7
99.04471	9.6
105.07037	14.4
107.04955	5.2
107.08571	32.6
109.06522	26.2
109.10139	32.1
111.04420	30.1
111.08059	3.6
111.11713	13.0
117.06937	2.7
119.08530	18.3
121.06481	5.8
121.10126	29.0
123.04372	3.1
123.08041	20.5
123.11670	15.2
125.05965	57.7
131.08592	3.1
133.10107	20.0
135.11681	6.3
137.04887	3.6
137.05949	100.0
137.09593	17.1
137.13252	10.2
139.07530	15.3
141.05457	16.5
145.10181	3.5
147.08026	2.7
147.11699	13.6
149.09598	6.2
149.13246	10.5
151.07535	20.7
151.11153	13.3
159.11736	3.2
161.09621	10.7
161.13220	3.3
163.11145	5.1
163.14803	4.1
165.09085	18.8
165.12712	6.2
167.10605	3.4
175.11075	3.7
175.14793	5.8
177.12726	4.0
179.10651	23.3
179.14281	3.6
181.12244	10.2
187.14859	3.3
193.12169	20.0
195.13776	10.6
197.11766	4.4
203.17990	3.9
207.13789	11.6
211.13303	4.9
221.15311	15.4
225.14885	2.8
235.16914	13.5
235.63506	3.9
237.18480	3.8
249.18451	12.1
253.17934	4.7
263.19907	11.4
267.19501	8.7
276.29770	2.8
277.21637	9.9
281.21024	5.3
291.23215	5.8
291.59171	2.5
295.22525	3.5
305.24631	11.2
305.52603	2.8
317.28653	2.7
319.26126	10.4
333.27829	13.9
389.34000	44.0
407.35178	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3517
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
54.81595	3.0
54.81825	3.1
55.05508	30.6
57.07061	25.2
62.87913	2.8
67.05491	14.8
69.03420	24.4
69.07051	33.0
71.08620	8.0
79.05472	8.4
81.07040	47.3
83.08614	13.7
85.10186	5.0
91.05439	5.1
92.09005	19.5
92.86727	3.6
93.07018	17.2
95.08597	28.4
105.07018	13.2
107.08591	19.4
109.06538	4.4
109.10141	17.0
119.08594	14.2
121.10085	6.3
123.04414	36.0
123.08022	4.1
125.05978	5.7
133.10129	14.4
135.11659	4.1
137.05960	7.7
137.09599	3.8
139.07565	3.9
141.05463	4.0
147.11661	5.4
151.07573	6.8
151.11133	4.6
151.68343	3.8
161.13344	4.8
193.12279	4.4
205.37314	3.9
207.13863	4.6
211.14758	3.9
253.63390	3.7
389.34048	30.1
407.35132	100.0
418.30679	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	407.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16267	2.9
53.41884	3.2
55.05497	15.1
56.17036	3.4
57.07058	4.2
66.30878	3.2
67.05488	23.0
69.07058	22.4
77.83028	3.4
79.05470	8.7
81.07043	59.0
83.08588	8.3
83.51375	3.6
91.05456	30.6
93.07021	43.2
95.04957	4.6
95.08595	86.8
97.10126	5.0
105.03382	5.2
105.06992	57.7
107.08583	64.1
109.10143	43.8
117.06998	15.0
119.08563	49.5
121.10114	44.8
123.11707	16.4
125.09604	5.8
129.06963	7.6
131.08562	47.4
133.10124	33.6
135.11671	16.9
143.08548	22.3
145.10110	56.2
147.11710	22.8
149.13269	20.2
157.10117	19.0
159.11681	40.6
161.13246	18.8
163.14828	18.0
169.10074	7.0
171.11674	20.7
173.13240	55.2
175.14856	18.1
177.16400	18.2
183.11667	5.6
185.13190	7.4
187.14780	94.7
187.68637	4.4
189.16344	36.0
199.14804	19.1
201.16411	17.8
203.17902	5.5
213.16330	25.2
215.17926	21.1
217.15855	8.9
225.16449	4.3
227.17986	6.1
229.19426	5.2
233.19031	5.0
241.19455	5.5
253.19385	4.6
255.20830	5.4
263.84839	4.1
379.33710	4.4
389.31989	22.1
407.24094	7.1
407.32870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3514
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
50.90984	1.1
53.79829	1.3
55.05501	3.2
57.07059	9.7
62.60540	1.4
65.03922	1.4
67.05492	36.6
69.07040	7.5
71.04965	7.0
71.08598	5.5
79.05445	1.5
80.58413	1.3
81.07028	7.5
83.08617	5.7
85.10161	1.8
85.23624	1.4
92.09011	14.9
93.07018	2.1
95.04940	14.3
95.08585	7.6
97.06511	2.0
97.10159	2.2
99.04433	9.7
107.08594	3.0
109.10157	3.0
113.05988	5.7
119.08546	1.6
123.04406	25.2
123.11752	2.1
125.05953	9.3
139.07489	3.1
141.05437	100.0
192.30997	1.5
255.15466	1.4
306.02475	1.5
347.37964	1.5
389.33939	5.8
407.35178	54.5
421.42407	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.7
57.07070	9.9
60.65277	0.5
67.05494	1.3
69.07056	13.3
71.08614	8.7
81.07034	4.2
83.08612	0.7
85.77925	0.4
91.05486	0.7
92.09048	3.6
93.03409	0.7
93.07043	2.1
95.08586	6.5
105.07012	3.5
107.08583	3.5
109.10159	2.8
119.08546	2.5
119.31023	0.5
121.02863	5.5
121.10126	2.9
123.11733	0.8
133.10114	2.7
135.11658	1.1
137.13245	0.8
145.10167	0.6
147.11604	1.1
149.02321	100.0
149.13246	0.9
151.51033	0.5
159.11699	1.0
163.14671	0.7
167.03363	6.4
173.13226	0.8
191.17879	0.9
229.19591	0.6
257.35007	0.6
407.36737	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	407.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.1
57.03421	0.6
60.36838	0.6
61.02900	0.7
69.07036	1.1
80.57073	0.7
81.03374	1.2
81.07008	2.4
85.02898	1.2
85.89595	0.7
91.05465	1.0
92.09157	4.8
93.07025	1.5
93.91068	0.7
95.04928	0.8
95.08600	2.4
96.74400	0.6
97.02849	0.9
98.97625	0.8
105.03377	0.7
105.06980	1.3
107.08572	1.0
117.07079	0.7
119.08566	1.2
123.25601	0.9
131.08542	0.9
134.99632	0.6
135.01987	0.8
145.10075	1.0
157.10149	1.1
173.13274	0.7
245.53311	0.8
259.08612	1.0
285.10043	1.4
355.74838	0.7
406.35141	0.9
407.23947	100.0
408.24295	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.2
55.05262	0.3
55.05505	4.7
57.07066	10.2
60.64005	0.2
61.67754	0.2
65.03919	1.0
67.05473	0.6
69.07053	23.2
71.08244	0.4
71.08612	8.1
79.05489	0.5
81.07031	2.2
84.78899	0.2
87.50153	0.2
88.73306	0.2
91.05463	0.4
92.09077	0.8
93.07002	0.6
95.08578	1.6
105.06981	0.8
107.08556	1.1
109.06487	0.5
109.10117	0.6
111.11697	3.8
113.13267	0.8
119.08578	0.2
121.02831	4.8
121.03861	0.5
121.10147	0.5
123.11626	0.3
128.13606	0.2
129.12720	2.0
133.10086	0.3
137.13271	0.3
149.02321	100.0
159.11658	0.2
167.03351	6.0
173.13252	0.4
173.86554	0.2
274.24228	0.3
407.35504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
53.14096	1.4
54.81737	1.7
55.01865	7.9
55.05502	33.9
55.65405	1.7
56.05837	1.6
57.03423	10.4
57.07066	3.3
61.02916	15.7
67.05490	21.0
69.03065	3.6
69.03418	61.8
69.07052	20.4
70.53295	1.8
71.04970	20.7
71.26817	1.8
73.02892	3.1
78.70903	1.7
79.05464	15.1
81.03400	21.4
81.07047	31.3
83.04968	47.9
83.08617	3.5
85.02891	99.1
85.06532	52.0
86.94588	1.9
87.04475	7.8
91.03938	2.2
91.05461	8.8
92.09218	8.7
93.07033	30.1
95.04951	11.8
95.08586	93.1
97.02876	36.3
97.06525	11.2
97.10162	2.3
98.07204	2.1
99.04440	16.1
99.08070	18.8
101.05991	4.3
105.03381	15.7
105.07009	24.3
106.03724	3.6
106.07350	8.6
107.08579	53.0
108.08923	8.9
109.02859	9.6
109.06503	12.8
109.10133	34.1
111.08057	4.3
113.09621	31.7
119.08578	21.3
120.08881	4.7
121.10120	63.1
122.10459	12.4
123.08069	23.2
123.11671	12.4
125.09615	33.9
127.03914	14.3
127.07506	3.4
131.08527	12.9
132.08859	3.0
133.10115	59.8
134.10440	14.4
135.11650	16.2
137.09598	24.3
137.13222	9.1
138.09943	3.4
139.11143	17.1
141.09103	3.4
145.04932	8.4
145.10052	3.0
146.10408	2.4
147.11679	11.6
148.12064	4.6
150.13580	2.8
151.11206	4.0
153.12714	16.7
155.10664	29.3
157.12230	4.3
161.13216	14.4
162.84647	2.3
163.14787	4.8
165.12691	4.3
167.10683	9.5
171.13765	2.9
173.13219	18.6
174.13602	11.9
175.14806	4.4
176.15167	2.4
179.14272	35.6
183.13774	32.8
189.12755	3.9
190.13036	4.5
191.14240	13.0
192.14694	4.2
197.15343	100.0
209.15323	21.7
215.16396	72.8
219.95505	2.2
227.16330	16.3
236.50522	2.5
245.17430	99.1
288.50162	2.5
407.14478	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01860	4.0
55.05502	40.6
57.03425	12.7
57.07063	3.2
59.04995	5.7
59.06112	11.4
61.02918	19.9
67.05496	26.8
69.03413	61.7
69.07053	26.7
70.03753	4.0
71.04972	22.8
72.08165	2.6
73.02901	4.8
78.64266	1.9
79.05467	17.5
81.03395	20.7
81.07037	58.7
83.04967	57.8
83.08607	13.4
84.04504	4.2
84.05323	2.7
84.08132	5.7
85.02888	84.9
85.06525	43.1
86.03220	2.5
86.09689	4.3
91.03979	2.6
91.05463	9.3
92.08738	7.4
92.09347	5.3
93.07018	65.9
94.07362	4.9
95.04958	13.4
95.08585	84.8
96.08950	2.5
97.02871	25.3
97.06499	14.2
97.10145	4.2
99.04434	31.7
99.08073	21.8
101.05986	9.5
105.03384	5.4
105.07010	24.2
106.02869	4.5
107.04923	2.5
107.08577	86.8
108.08939	11.9
109.02876	9.2
109.06492	45.7
109.10139	81.0
110.06866	2.9
110.10474	15.5
111.08067	14.9
113.09620	33.8
118.44958	2.2
119.08570	26.5
120.08056	9.5
120.08868	3.7
121.06438	9.0
121.10120	51.7
122.06853	4.0
122.10436	3.9
123.08044	93.8
123.11676	18.5
124.03914	18.1
124.08377	3.7
125.09597	40.6
127.03908	13.1
127.07540	3.9
131.08574	17.7
132.08894	4.3
133.10086	26.6
134.10504	2.6
135.08060	16.6
135.11685	24.5
136.08368	2.8
137.09596	28.8
137.13234	5.7
138.09950	4.0
139.11165	17.8
141.09120	8.9
144.09386	2.8
145.04955	11.0
145.10106	4.1
147.11647	12.4
149.09612	12.3
149.13269	14.7
151.11142	18.3
151.14792	2.9
152.11514	4.1
153.09100	10.9
153.12685	17.5
155.10632	32.8
158.10919	3.6
161.13251	9.6
163.14803	11.6
164.15218	5.4
165.12793	4.1
167.10617	4.6
167.14293	5.6
169.12221	2.7
171.13826	3.0
173.13210	14.0
174.13605	5.7
179.14276	30.9
181.04956	3.2
183.13766	40.9
191.14287	25.8
192.14604	9.4
197.15332	100.0
209.15321	82.8
210.15672	53.5
215.16399	78.5
227.16414	33.5
245.17421	85.9
269.09076	2.5
297.08551	3.5
315.33533	2.8
349.20264	2.2
361.05118	2.5
407.15195	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	407.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01876	1.0
55.05502	5.2
57.03432	1.1
57.07064	2.3
59.04990	1.4
59.62825	0.6
60.07207	0.5
61.02908	1.1
63.44960	0.6
67.05495	7.2
69.03410	5.2
69.07054	6.0
71.04976	16.5
79.05460	3.9
81.03412	1.4
81.07042	12.2
82.07410	0.6
83.04961	2.9
83.08603	12.0
85.02888	8.9
85.06520	9.4
86.03233	0.5
86.09686	0.7
87.38978	0.5
88.91079	0.5
89.06013	1.3
90.60323	0.7
91.05462	3.4
92.08710	1.4
92.09293	1.3
93.07014	10.8
94.07361	1.2
95.04964	4.3
95.08588	10.3
95.48031	0.5
96.08945	0.5
97.02853	2.6
97.06516	3.2
97.10122	0.6
99.04437	30.8
99.08061	4.8
105.03369	2.7
105.07001	8.9
106.03693	0.8
106.07325	0.8
107.08578	20.7
108.08889	4.1
108.13816	0.5
109.02922	0.8
109.06499	26.8
109.10142	12.0
110.10435	0.7
111.08092	1.3
113.09639	2.3
116.37660	0.6
117.06992	0.9
119.08578	4.9
120.08965	0.7
121.10109	14.5
122.10471	3.8
123.08044	100.0
123.11675	11.4
124.08359	7.9
124.11973	0.9
125.08620	2.3
125.09627	5.4
126.08810	0.6
127.03899	0.6
127.11159	2.1
130.04982	0.7
131.08553	6.5
132.08958	0.6
132.63385	0.6
133.10103	14.6
134.10455	4.1
135.08046	6.5
135.11688	2.7
137.09583	2.2
139.11128	0.7
143.08580	0.9
145.10127	3.9
147.11664	4.2
148.12036	2.3
149.09552	4.1
149.13271	8.1
151.11171	5.6
152.11584	0.9
153.09128	3.3
158.10942	2.3
161.09692	0.6
163.14845	2.8
164.15218	0.8
165.12744	4.3
167.10542	1.8
167.14317	1.1
169.12172	4.0
173.13214	10.7
174.13620	3.0
183.13792	10.6
191.14261	12.9
192.14656	4.9
209.15335	11.1
210.15671	5.3
227.16400	38.9
228.16663	2.9
245.17519	0.8
294.88394	0.6
328.17700	0.6
362.64252	0.6
365.00751	0.6
365.05130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86612	0.5
51.11091	0.5
52.74229	0.5
53.03936	16.5
55.01870	1.3
55.05490	1.4
56.62147	0.5
57.03429	5.2
61.02896	0.6
63.50641	0.5
63.85301	0.6
64.34065	0.5
67.05488	0.8
69.03413	34.2
69.07028	0.7
71.04982	7.0
73.02897	2.9
79.05454	1.4
81.03396	64.7
81.07025	2.8
83.08588	0.6
84.39865	0.6
85.02885	19.6
85.06536	0.8
91.05469	1.4
93.07041	1.1
95.01305	93.6
95.08594	3.0
97.02870	42.2
97.06500	0.7
99.04427	13.9
105.03365	1.3
107.04951	0.7
107.08575	1.3
108.05320	0.8
109.02862	51.4
109.10157	0.9
113.02350	100.0
116.04951	15.3
127.03887	34.8
131.08746	0.6
136.07556	0.8
137.20439	0.7
144.35158	0.6
145.04929	2.9
145.10059	0.6
167.07008	0.7
211.85132	0.7
221.04375	0.7
239.05449	74.3
239.43394	0.6
257.06488	17.8
328.53113	0.8
374.03302	0.7
407.16473	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	407.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	52.9
57.03430	1.6
57.07067	1.9
59.04992	4.8
61.02914	1.0
67.05483	4.7
67.13061	1.0
69.03423	5.1
69.07053	6.9
71.04984	4.8
78.75995	0.9
79.05499	3.7
81.07041	13.3
83.04957	20.5
83.08604	38.4
84.97742	1.0
85.02895	7.1
85.06535	4.2
91.05459	2.7
92.09186	1.3
93.07018	15.6
95.04955	27.2
95.08586	13.7
97.02898	1.4
97.06522	6.1
97.10151	7.6
99.04436	6.4
105.03374	1.3
105.07003	7.8
107.08570	21.0
109.06479	8.3
109.10145	23.0
111.08047	8.1
119.08581	5.6
121.10120	44.9
123.10378	1.1
123.11695	7.0
125.09613	6.7
131.08488	1.6
133.10081	10.2
139.11168	29.2
145.10092	1.8
147.11702	1.6
149.13249	4.5
151.11165	34.0
151.12340	1.8
153.09033	8.6
163.14809	6.2
167.06990	15.5
167.14287	39.6
173.13220	7.9
175.14905	1.3
178.92453	1.4
191.14261	7.2
209.15335	100.0
227.16348	2.0
229.76831	1.4
231.05498	1.2
280.76071	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01862	5.9
55.05497	9.4
57.03419	10.4
57.03666	1.5
57.07062	2.0
57.44524	1.2
61.02904	1.6
65.03920	1.8
67.05491	11.7
67.05814	1.7
69.03414	15.7
69.07051	28.8
69.51443	1.5
71.04964	9.1
73.02875	1.6
79.05491	14.4
81.03413	8.9
81.07040	28.5
83.04956	3.0
83.08601	8.7
85.02891	28.8
85.06514	3.9
91.05447	13.2
92.08994	11.3
93.06487	3.0
93.07023	50.5
95.04951	13.1
95.08576	35.6
97.02850	7.7
97.06496	9.1
99.04431	6.5
99.08107	1.8
105.03371	10.5
105.07014	24.0
107.04905	2.1
107.08575	65.5
109.06495	17.3
109.10149	22.6
111.08080	8.0
115.07533	2.0
117.07026	2.4
119.08556	19.4
121.06467	11.8
121.10120	51.4
123.08022	10.1
123.11687	7.3
126.44350	1.4
127.03864	2.9
131.08539	18.2
133.10101	67.5
135.08040	37.8
135.11664	22.4
139.07385	1.6
139.11137	10.4
145.10059	7.7
146.10638	1.7
147.11653	15.6
149.09563	11.6
149.13243	17.6
151.11154	25.1
153.09085	3.6
158.10826	1.9
158.38039	1.7
161.13208	17.8
163.11151	8.5
163.14786	53.3
163.16057	2.9
165.12759	5.3
166.19858	1.6
173.13203	36.5
177.20903	1.5
179.14270	54.9
191.14281	95.5
197.15337	8.4
209.15344	75.6
227.12860	3.4
227.16376	100.0
264.74323	1.6
385.68729	1.7
385.74142	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05843	1.0
53.03927	2.2
55.01856	1.3
55.05498	4.9
57.03419	8.1
57.07057	2.6
59.04983	1.7
61.02913	1.5
66.61771	1.0
67.05484	6.3
69.03423	11.0
69.03739	1.4
69.07045	8.6
71.04971	4.9
79.05458	7.2
81.03384	1.9
81.07033	22.1
81.09353	1.1
83.04957	5.7
83.08611	9.4
85.02885	23.8
85.06519	4.9
86.81496	1.1
91.05453	7.0
93.07010	20.2
95.04945	29.7
95.08577	12.8
97.02876	4.4
97.06511	40.6
97.10152	1.6
99.04434	5.6
99.08079	7.9
105.03368	5.4
105.07011	27.1
107.08582	36.2
109.02869	2.0
109.06496	63.5
109.10148	18.7
111.08051	6.6
113.09652	1.3
115.07544	4.6
119.08549	19.1
121.02911	1.3
121.06486	2.6
121.10112	43.5
123.08044	9.9
123.11703	4.9
125.09598	4.9
127.07567	1.8
131.08542	16.5
133.10101	71.4
135.08032	11.4
135.11685	11.7
137.09605	5.1
139.11121	6.4
145.10126	2.8
147.11661	52.0
149.09560	2.9
149.13210	11.8
151.11153	15.0
153.09073	22.9
158.10832	2.8
161.13298	1.6
163.14774	14.0
165.12708	11.2
167.14268	1.5
171.10101	4.7
173.13206	32.5
179.14314	1.3
191.14255	38.8
209.15321	68.3
227.16371	100.0
369.10040	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30412	1.1
50.92998	1.3
53.03934	1.7
54.68099	1.1
55.01843	1.4
55.05265	2.3
55.05503	40.9
56.27881	1.2
57.03427	1.2
57.07055	1.7
57.31586	1.0
59.04980	2.0
67.05482	5.4
69.03408	10.2
69.07069	2.4
71.04990	1.7
78.03442	1.5
79.05470	1.9
81.03394	6.5
81.07029	12.3
83.04961	43.3
83.08601	34.7
85.02863	9.7
85.06536	2.5
91.05489	2.3
92.09049	7.3
93.07018	8.8
95.04934	5.7
95.08590	7.5
97.02852	2.7
97.06519	6.4
97.10152	3.2
99.04479	1.3
105.03361	1.4
105.07024	8.2
106.02892	6.8
107.08569	18.7
107.34293	1.4
109.06494	6.9
109.10143	20.6
111.08054	6.7
119.08554	2.4
121.02825	3.1
121.10117	14.1
123.11665	14.3
124.03871	11.1
125.09593	8.2
131.08548	2.4
133.10054	11.4
135.08018	2.8
137.09547	1.8
145.10072	1.3
147.11656	5.6
149.09694	1.3
149.13249	6.1
151.11165	35.0
163.14877	2.0
167.14284	60.6
172.73286	1.7
173.13199	6.4
191.14314	8.9
209.15332	100.0
227.16344	11.2
247.46642	1.3
250.07143	1.7
399.39612	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93159	0.9
53.03913	1.6
55.01845	2.6
55.05505	26.3
56.00263	1.0
57.03418	8.3
57.07064	2.0
59.04979	5.4
61.02911	2.7
65.45546	1.2
67.05500	13.6
69.03423	15.8
69.07056	20.3
70.08595	1.3
71.04967	16.5
79.05474	24.3
81.03391	6.7
81.06609	1.5
81.07040	39.1
83.04954	9.0
83.08611	11.9
85.02888	32.9
85.06538	10.7
86.52518	1.4
87.94456	1.6
91.05452	15.1
92.08766	7.3
93.07024	34.7
94.66979	1.2
94.82375	1.3
95.04956	10.5
95.08588	31.5
97.02898	9.8
97.06504	7.8
97.10147	2.7
99.04438	38.1
99.35385	1.3
101.06002	8.3
105.07009	25.4
107.08578	100.0
109.02853	2.9
109.06497	22.3
109.10153	22.3
111.08079	5.7
115.07608	1.8
119.08569	16.9
121.06465	4.9
121.09253	2.4
121.10120	53.6
122.06020	2.0
123.08035	9.2
123.11666	5.7
125.09612	6.3
127.03841	2.5
129.70200	1.4
131.08540	15.1
133.10104	25.8
135.07996	11.8
135.11665	11.6
139.11157	5.0
145.04947	5.5
145.10083	3.1
145.17404	1.4
147.11647	12.4
149.09627	2.0
149.13237	18.2
151.11157	16.2
161.13229	27.7
163.11133	2.9
163.14752	12.7
165.12717	14.8
167.14290	9.6
173.13260	16.8
179.14275	40.6
179.15759	2.9
191.14273	46.9
197.15262	12.4
200.71935	1.5
209.15338	70.9
227.16356	12.6
303.31720	1.3
304.75223	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
53.78421	0.9
55.01868	1.7
55.05503	39.6
57.03428	2.6
57.07064	9.2
59.04988	1.3
61.02904	5.1
65.03947	1.1
67.05480	10.1
69.03410	22.4
69.07053	21.2
71.04977	5.5
73.02921	1.4
79.05468	15.4
81.03379	1.7
81.07037	37.5
83.04961	100.0
83.08602	24.8
85.02888	39.0
85.06508	11.4
88.95396	1.2
91.05470	9.7
92.08691	2.9
92.09268	3.3
93.07021	31.3
95.04948	21.7
95.08581	24.9
97.02875	10.5
97.06503	14.2
97.10151	11.6
99.04450	9.7
99.08093	1.7
105.03363	2.9
105.06998	13.0
107.08575	96.5
109.02868	1.6
109.06495	45.2
109.07185	2.5
109.10152	18.5
110.52094	1.3
111.08055	67.1
113.05994	15.5
115.07552	8.1
117.07057	1.5
119.08548	14.3
121.06461	4.4
121.10118	57.2
123.08057	10.3
123.11685	6.7
125.05978	2.0
125.09586	18.2
127.03896	6.4
127.07535	16.5
131.08502	9.2
133.10109	48.1
135.08017	11.8
135.11662	47.3
137.09627	7.8
137.13219	2.6
139.07510	1.8
139.11168	2.8
145.04974	2.8
145.10085	3.0
147.11665	6.7
149.09648	5.3
149.13222	20.3
151.11171	22.5
153.09073	90.4
158.10925	4.5
163.05963	1.3
163.14777	21.7
167.10655	2.4
167.14325	1.5
173.13220	18.0
181.15828	6.5
191.14268	83.2
192.14503	1.5
209.15337	99.6
209.17323	3.2
227.16364	3.0
262.29422	1.3
271.78934	1.4
329.60303	1.4
380.96164	1.3
402.54095	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.05506	18.8
57.03422	10.6
57.07054	7.7
61.02909	3.8
67.05505	19.3
69.03417	21.5
69.06767	1.6
69.07057	23.4
69.50471	1.5
71.04961	8.2
79.05473	18.0
81.03388	3.9
81.07040	56.2
83.04976	33.1
83.08595	13.8
85.02422	2.4
85.02899	42.3
85.06532	9.5
87.04449	1.9
91.05471	15.7
92.08904	1.9
93.07023	34.0
93.08929	1.7
95.04947	73.8
95.08590	26.9
97.02875	14.3
97.06519	23.7
99.04427	12.1
99.08096	3.4
105.03392	26.0
105.06364	3.2
105.07021	47.9
105.07707	2.1
107.08580	64.8
109.02847	4.4
109.06503	71.8
109.10147	49.6
111.08090	18.4
113.09635	2.0
115.07543	2.4
117.07012	2.3
119.08564	28.5
121.10126	57.6
123.04449	2.6
123.08075	13.0
123.11687	23.0
125.09586	14.6
127.03881	6.9
131.08545	25.5
133.10107	100.0
135.08051	21.4
135.11684	16.9
137.13217	2.1
139.11121	4.4
143.08490	3.0
145.04947	2.3
145.10100	18.3
147.11658	27.3
149.09595	2.7
149.13245	32.2
151.11176	11.4
153.09071	21.1
158.10857	15.1
161.13167	2.0
163.14760	9.0
165.12669	3.1
167.07008	3.1
167.10638	2.7
167.14301	9.2
173.13219	63.7
175.14752	7.1
191.14273	50.6
191.15904	2.8
206.72353	1.9
209.15346	60.5
227.16428	11.7
388.23230	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	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01868	0.7
55.05497	4.7
57.03413	2.8
57.07070	1.1
62.86140	0.7
65.03922	1.4
67.05498	5.8
68.46202	0.7
69.03416	7.5
69.07053	8.3
71.04971	4.2
78.03420	1.5
79.05479	6.6
81.03390	4.9
81.07046	11.2
83.04955	4.6
83.08575	1.1
85.02882	9.7
85.06515	4.0
91.05457	7.0
92.08782	1.6
92.09299	0.8
93.07018	15.6
95.04955	9.8
95.08575	10.5
96.04469	0.7
97.02860	3.7
97.06501	3.7
99.04403	3.4
105.03356	10.0
105.07010	14.8
106.02925	7.6
107.08573	33.1
109.02852	1.2
109.06519	6.1
109.10146	14.9
111.04407	2.7
111.08057	2.8
117.06966	1.3
119.08564	8.2
121.02843	100.0
121.06488	5.8
121.09269	0.9
121.10120	24.1
122.03162	0.9
123.08028	6.4
123.11636	3.6
124.03925	26.7
125.09597	5.7
127.03856	3.1
129.06984	0.7
131.07649	1.1
131.08546	22.1
133.09183	1.3
133.10104	22.2
135.08047	7.2
135.11655	6.6
137.09575	10.4
139.03865	2.6
139.07475	1.1
143.08533	2.8
145.10091	8.8
147.08168	0.8
147.11679	5.8
149.09596	6.4
149.13205	5.6
151.11185	7.0
153.09053	3.2
156.09331	0.8
158.10883	3.2
163.07545	1.0
163.11102	1.1
163.14784	15.2
165.12694	4.3
167.06947	1.7
173.13213	18.1
175.14754	1.3
191.10660	5.3
191.14282	21.6
209.11784	10.3
209.13747	1.0
209.15356	19.4
223.88593	0.7
227.09096	1.3
227.16389	1.7
250.07065	1.2
268.08078	7.5
370.09064	1.4
388.10077	4.5
406.11310	6.0
406.16116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.05503	72.0
56.05011	0.8
59.04987	0.9
65.03906	0.8
66.22856	0.7
67.04214	0.9
67.05482	0.9
69.03412	1.4
69.07050	0.8
70.06570	8.8
72.08136	26.6
73.06532	12.3
77.03468	0.8
79.05451	1.0
80.04980	1.8
81.03399	0.9
81.07037	3.9
82.06564	44.1
83.04974	0.9
85.02883	1.4
85.06513	0.8
91.05459	19.4
92.08982	6.3
93.07015	1.0
95.04938	5.0
95.08540	3.3
97.06513	0.7
98.05402	1.1
98.06025	26.0
103.05448	1.1
105.03362	1.2
105.06986	1.3
106.06522	0.8
107.04923	8.9
107.08549	0.9
108.08115	1.0
108.79668	0.7
109.09986	0.7
110.06038	0.8
117.06963	0.8
118.06488	4.2
119.04916	27.3
119.07294	34.2
119.08575	1.2
121.06459	3.7
121.10083	0.9
123.04404	21.4
125.07083	4.5
126.05478	5.0
127.08655	1.4
131.04915	4.2
132.99597	0.8
133.06436	1.2
134.06004	8.7
135.06741	4.9
136.07552	100.0
137.05984	1.2
141.48674	0.7
143.08150	1.4
144.04399	1.7
144.06519	3.3
145.06494	1.4
146.05933	0.9
147.04385	6.8
148.07524	0.7
149.09544	0.9
153.53986	0.7
158.07291	1.1
161.09572	3.3
162.05464	17.5
165.05437	26.1
173.09572	7.0
177.09077	20.4
179.11726	2.8
182.08096	37.8
190.12224	41.2
197.11053	1.5
197.12814	32.7
207.04422	0.7
209.15123	0.8
209.20882	0.7
216.10063	1.0
219.10072	5.0
225.10246	0.9
225.12328	14.4
233.12788	4.8
236.12807	1.4
244.16911	1.1
260.13846	1.0
261.12241	26.3
307.12827	4.2
315.17065	7.5
337.81232	0.8
342.18039	1.7
360.19086	4.0
378.19907	1.5
384.40082	0.8
406.19553	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	406.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72024	0.5
53.03933	4.7
54.75557	0.6
55.01849	0.6
55.05503	52.2
56.05024	2.8
57.07059	1.3
58.06591	1.4
59.04986	11.6
67.05482	3.8
69.03423	1.0
69.07049	1.3
70.06575	45.6
71.04985	0.8
71.07357	0.7
72.08136	29.3
73.06529	2.3
73.53409	0.5
79.05465	3.0
79.68223	0.6
80.04994	2.7
81.05788	1.0
81.07024	5.8
82.06561	25.0
83.03709	3.2
84.07669	0.5
91.05460	11.0
92.08935	0.7
93.07024	3.4
94.06542	4.1
95.04959	4.1
95.08569	8.1
96.08118	3.3
98.06030	81.0
103.05415	0.6
105.03368	1.2
105.07007	1.1
107.04929	1.0
107.08585	3.1
108.08115	0.8
109.10131	4.2
110.06019	3.0
110.09645	1.0
111.01629	0.6
113.09669	1.1
119.04916	14.3
119.08571	1.4
121.06504	0.9
121.10084	1.2
123.04397	11.7
123.11707	0.6
124.06374	0.6
124.11221	0.8
125.07093	1.3
126.05476	3.8
126.84055	0.6
127.08655	0.6
127.12308	1.4
131.04947	0.9
134.06001	3.4
134.09645	1.0
135.06787	8.1
135.11679	3.0
136.07549	46.1
136.11183	4.6
136.74124	0.6
137.07071	2.4
139.08647	0.8
140.07155	0.7
143.08197	2.6
144.06532	68.5
147.04393	3.9
148.07512	0.6
151.12279	1.4
152.10709	0.8
155.11768	3.3
162.05460	6.7
162.09232	0.7
165.05440	16.1
165.10252	2.9
169.13329	5.9
173.09654	2.5
176.66055	0.6
177.09068	3.8
179.11786	11.4
180.10176	3.8
180.12611	2.5
182.08102	23.5
185.01065	0.6
190.12222	7.9
191.17952	1.4
197.12813	100.0
202.12233	2.6
217.13271	2.8
219.10182	1.5
225.12299	7.5
233.12791	0.9
236.12714	1.1
260.14005	0.8
260.48975	0.6
261.12296	11.0
263.97311	0.6
310.30310	0.6
315.16946	3.0
332.19678	3.7
342.18158	0.6
360.19061	18.7
378.20142	25.5
378.24924	0.9
388.18533	1.4
406.19647	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01861	0.2
57.03418	0.9
61.02908	0.3
69.03409	7.4
71.04967	0.7
71.14505	0.2
71.18657	0.2
73.02885	0.2
77.03909	0.7
79.05472	6.9
79.87136	0.2
81.03394	12.0
81.06994	0.2
82.65694	0.2
85.02885	11.6
92.09007	0.3
95.04942	4.4
97.02864	6.1
98.97575	0.8
99.04454	1.5
100.68121	0.2
105.03366	100.0
105.06982	1.6
108.04449	0.2
109.02847	7.0
114.90489	0.2
119.08563	0.2
123.04393	14.1
125.72673	0.2
126.66665	0.2
127.03874	5.6
128.04788	0.2
145.04915	1.2
231.06458	1.0
249.07515	12.6
267.08557	19.0
279.16739	0.2
379.07666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01870	4.4
59.13469	0.5
61.02891	0.8
65.03926	1.4
67.05491	0.7
69.03410	4.0
70.06572	1.1
72.21260	0.6
73.02484	1.2
73.02899	38.0
79.05491	0.7
85.02894	4.1
91.05468	0.9
93.07043	1.3
95.04958	6.1
97.02858	2.5
97.06522	1.3
98.97597	0.7
105.03378	32.5
107.04932	0.6
109.02869	0.6
110.03644	0.7
111.04416	1.0
112.07607	1.0
119.08595	0.9
121.06520	2.5
123.04392	10.7
127.03911	2.7
135.66820	0.6
137.05988	1.0
138.03128	0.7
140.04662	48.8
142.02647	1.0
145.10060	1.1
147.08054	0.8
149.05994	1.4
153.05400	0.9
155.07005	58.1
159.96661	0.6
163.03902	1.2
167.07018	5.1
171.06537	4.9
173.08119	3.8
179.07050	3.1
181.04929	100.0
181.08318	4.9
193.04964	1.4
199.09662	1.0
209.08080	17.8
209.11760	0.6
227.09109	79.7
267.08569	5.9
353.56232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
54.92937	0.3
61.02903	0.3
67.05479	0.3
69.03413	11.0
69.07044	0.3
71.04984	0.3
77.03893	0.4
79.05470	1.1
81.03383	1.1
81.07047	0.5
85.02888	1.5
90.21175	0.3
91.17494	0.2
93.07009	1.0
95.04942	4.5
95.08582	0.5
97.02856	2.3
98.97546	0.5
99.04450	0.6
101.78812	0.3
105.03373	100.0
106.03715	0.6
107.08551	0.3
109.02855	1.3
109.10126	0.3
119.21909	0.3
123.04419	1.4
127.03894	6.9
130.06567	0.3
133.10103	0.4
206.34523	0.3
209.15222	0.3
231.06702	1.9
241.11093	0.3
249.07480	2.3
267.08563	7.6
328.94995	0.3
401.08203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3724
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
53.12640	1.6
55.01878	2.8
55.05495	2.5
57.07071	17.4
67.05491	18.2
71.08600	9.6
73.48202	1.7
81.07043	3.3
85.10143	2.6
91.05457	10.7
92.08739	5.8
92.09330	6.3
93.07025	63.2
95.04932	3.4
95.08582	39.2
107.08591	8.3
109.10155	2.9
111.02516	2.0
111.08080	25.7
121.06500	2.2
127.07567	4.2
139.07518	25.2
153.09155	17.6
157.08533	3.3
167.10674	8.2
181.12225	7.7
195.13809	3.6
209.15393	3.1
223.16962	1.9
225.66013	2.3
228.44630	2.1
279.45139	2.4
405.37238	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	405.3724
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
53.97356	1.0
55.01873	1.8
55.05498	7.4
57.07064	17.8
60.72367	1.3
64.63573	1.2
64.69505	1.1
67.05186	1.6
67.05493	24.8
69.07048	5.1
71.08613	11.6
72.69614	1.1
79.05476	2.1
81.07038	3.3
83.08574	1.7
85.10159	5.4
91.05474	10.8
92.08894	7.4
92.09396	1.4
93.07027	75.7
95.04964	2.6
95.08584	44.0
97.06518	2.2
107.08575	7.2
109.10117	2.1
111.08062	41.8
121.06486	8.3
121.10106	2.8
125.09614	2.4
127.07525	1.6
127.89983	1.4
130.18675	1.5
139.07520	25.6
139.11127	1.6
153.09076	17.2
157.08582	7.5
167.10648	12.9
181.12221	10.0
195.13771	3.2
209.15295	5.4
223.16969	2.2
257.34494	1.4
350.99072	1.4
387.49719	1.7
405.37177	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	405.3513
Annotation	4,4'-Diapo-zeta-carotene
Peak:m/z	Relative Intensity
52.94695	2.8
55.05505	27.0
57.07060	5.9
61.71400	2.6
65.03942	2.8
67.05490	69.0
69.03420	4.0
69.07058	38.7
77.58723	2.6
79.05473	28.9
81.07041	98.6
81.36292	3.1
83.08598	14.4
83.14628	2.9
91.05453	26.6
92.09011	18.4
93.07010	51.5
95.04939	5.2
95.08588	83.4
97.02876	4.4
97.06504	2.9
97.10168	3.8
103.28146	4.0
105.06358	5.5
105.07006	88.3
107.08577	71.9
108.21392	3.1
109.10136	88.3
117.07009	12.8
119.08561	82.8
121.06445	2.9
121.10117	42.5
123.11705	27.3
123.12457	2.8
129.06946	4.9
131.08519	34.5
133.10104	45.8
135.11667	27.7
143.08519	17.4
144.09319	4.7
145.10094	66.9
147.11670	53.3
149.13254	7.0
155.08534	6.6
157.10089	27.0
158.10844	4.4
159.11646	55.3
161.13217	36.9
167.08499	3.2
169.10075	6.5
171.10289	3.2
171.11545	22.9
172.12431	4.5
173.13235	25.2
175.14754	21.9
183.11673	19.1
185.13159	12.0
187.14742	31.7
189.16360	26.5
191.17915	3.6
195.11632	5.4
197.13243	16.8
199.14769	19.5
201.16357	35.3
203.17888	29.6
211.14787	15.0
213.16367	15.3
215.17911	15.8
225.16255	3.7
227.17845	4.8
239.17888	12.5
241.19475	3.7
253.19443	13.5
255.21083	4.3
267.21106	3.4
281.22504	6.9
297.25708	24.3
318.02588	3.0
377.31949	12.4
395.24323	3.1
402.51837	3.4
405.22375	5.8
405.35028	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	405.3513
Annotation	4,4'-Diapo-zeta-carotene
Peak:m/z	Relative Intensity
50.82691	2.8
55.05502	33.6
57.07060	9.0
62.17915	3.4
67.05494	59.5
69.07054	40.3
72.08131	25.4
75.83507	3.6
76.56538	4.8
79.05478	31.9
81.07041	90.8
83.08594	14.6
83.09059	3.9
85.95481	3.9
91.05437	23.6
93.07020	64.8
95.04960	4.2
95.08582	97.8
97.10136	3.6
105.03297	4.5
105.07004	81.4
107.08573	70.0
109.10138	96.8
109.16182	3.4
116.46024	3.3
116.57364	3.5
117.06997	9.1
119.08533	91.0
121.10146	47.8
123.11667	33.0
129.06973	8.2
131.08565	34.1
133.10100	60.0
133.55757	3.7
135.11661	21.7
137.13235	7.2
143.08508	18.6
144.09312	4.5
145.10121	55.2
147.11668	51.9
149.13246	6.3
155.08482	3.7
157.10133	26.8
159.11659	57.3
160.12311	4.3
161.13239	35.3
169.10088	21.0
171.11655	24.3
173.13190	26.7
175.14778	25.7
181.09914	4.3
183.11661	15.3
185.13226	13.9
187.14787	41.5
189.16377	30.6
195.11638	5.5
197.13210	17.7
199.14771	14.5
201.16415	31.4
203.17938	14.9
209.13240	4.6
211.14758	15.3
213.16382	15.1
215.17903	6.7
219.17455	5.4
223.14847	6.1
225.16370	8.8
239.17900	17.0
241.19681	4.5
244.52892	3.9
251.17982	5.6
253.19481	7.4
255.20969	4.9
267.21078	8.2
281.22693	5.9
297.25668	18.6
377.32117	7.1
385.37167	4.7
405.30603	4.9
405.35132	100.0
417.33481	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	405.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16686	2.2
52.51905	2.2
55.05494	3.2
57.07064	18.1
62.42716	2.3
64.32928	3.0
67.05492	11.9
69.07054	20.4
71.04952	3.7
71.08610	25.7
81.07047	13.2
82.28043	2.9
83.08617	3.6
92.08697	3.9
92.09203	5.9
95.08585	4.3
107.08616	3.1
109.10130	71.9
114.46917	3.1
121.02882	5.2
127.11163	75.2
133.10126	3.8
149.02316	100.0
161.31844	2.6
172.97267	3.6
228.85054	3.0
244.71037	3.2
384.05106	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	405.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59074	1.2
55.05494	8.5
57.03428	56.9
57.07045	1.3
57.58047	1.2
60.71961	1.2
61.02905	12.8
63.70474	1.0
67.05499	15.7
69.07055	10.6
79.05453	2.8
81.07036	15.3
83.08598	7.8
85.06517	1.6
91.05458	4.9
92.05814	1.3
92.09246	1.1
93.07014	7.2
95.04981	1.7
95.08572	13.9
95.54036	1.1
97.06483	1.7
97.10111	2.1
98.97567	1.3
99.13384	1.2
105.06995	3.1
107.08572	2.6
109.10146	10.1
117.05466	100.0
119.08566	2.6
121.10152	1.6
123.11657	1.2
131.08568	1.3
133.10095	2.5
139.89224	1.4
147.11671	1.7
159.06487	47.8
165.66762	1.2
177.34573	1.5
189.66273	1.4
212.29581	1.4
227.23668	1.2
229.14276	2.5
253.98352	1.4
273.05661	1.2
358.34647	1.4
369.26428	5.8
382.92734	1.3
405.22092	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48676	1.4
56.96535	1.4
57.07061	1.1
71.83279	1.3
79.05456	1.4
80.66715	1.3
81.07033	2.9
84.86364	1.3
92.09007	11.8
92.64230	1.3
93.07026	2.8
93.48412	1.4
95.08576	5.7
99.48551	1.3
105.07011	2.4
107.08580	1.8
109.10165	2.3
116.61086	1.4
119.08585	2.0
121.59040	1.3
125.36517	1.4
133.10080	2.1
145.10172	1.7
151.70361	1.4
157.10133	2.1
159.11696	1.6
176.09396	1.3
198.58069	1.3
307.15067	2.0
318.36301	1.6
387.21332	29.9
405.22412	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	405.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44543	0.9
55.05507	1.5
57.07055	1.2
66.90427	1.0
67.05484	1.5
69.07050	1.2
79.05466	1.4
81.07028	4.5
92.08639	1.2
92.09145	4.9
93.07011	1.8
93.59852	1.1
94.48489	1.0
95.08584	2.4
105.07020	1.9
107.08600	1.7
109.10179	2.1
133.10129	2.7
145.07806	1.0
145.10092	2.8
150.64236	1.3
157.10190	1.5
160.40132	1.3
173.70392	1.1
187.14862	1.1
193.45164	1.3
253.43250	1.3
387.21344	33.1
405.22415	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	405.139
Annotation	Forsythide 8-methyl ester
Peak:m/z	Relative Intensity
53.03928	1.8
54.16739	1.1
55.01851	1.1
55.05495	1.8
56.96537	2.0
57.03426	3.0
61.02912	11.9
65.03915	5.7
67.05496	2.2
68.99760	1.3
69.03421	11.6
70.06552	1.3
72.08138	5.6
73.02895	1.2
78.03437	2.0
79.03801	1.3
79.05468	3.2
81.03407	10.0
81.07041	2.3
82.04184	1.3
83.04934	1.6
84.04500	1.4
84.08130	1.5
85.02895	25.7
86.03207	1.8
86.09695	1.6
91.05456	21.1
93.06983	1.2
95.04925	11.8
97.02885	10.8
98.97545	5.4
101.06015	1.9
105.03334	2.5
105.07011	1.5
106.02888	18.9
107.03240	2.8
107.04941	8.8
109.02865	3.3
109.06525	14.3
109.10124	1.4
110.03658	1.9
116.98605	6.2
119.04874	11.6
119.08546	1.5
120.05278	1.5
123.04414	14.3
124.03931	31.7
125.02331	2.2
125.04265	10.4
125.05993	1.7
127.03889	5.1
128.98566	1.7
131.04881	1.4
133.02832	11.8
135.04417	6.3
137.05949	23.6
140.04663	100.0
145.02835	1.6
147.04361	10.5
151.07509	1.5
153.05493	2.8
155.07011	63.9
161.04836	2.0
163.03807	1.5
165.05426	20.3
165.26054	1.4
167.06979	6.3
171.06503	5.3
173.08026	8.2
175.03900	8.7
176.04175	2.3
177.05431	2.5
179.06985	8.9
180.04088	14.7
181.04919	68.6
183.06500	1.9
187.02687	6.6
193.04933	21.5
195.06554	12.3
197.08046	6.2
205.03833	17.8
207.06477	32.6
207.13795	1.5
208.06818	9.5
225.07588	19.5
237.02820	4.8
243.08583	68.0
243.11288	2.2
250.07033	2.0
256.96622	1.2
268.08148	9.0
269.08426	8.0
275.06982	1.3
293.08966	2.4
359.39035	1.4
405.13263	15.6
405.21030	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	405.1388
Annotation	Forsythide 8-methyl ester
Peak:m/z	Relative Intensity
52.20926	0.7
53.03946	4.4
55.01866	1.6
57.03420	1.4
61.02916	14.0
63.69775	0.8
65.03931	5.4
67.05492	1.1
69.03416	9.7
71.04970	1.6
71.68522	0.7
71.83195	0.8
79.05484	3.9
81.03412	8.1
81.07043	5.0
82.04193	1.2
83.04989	1.5
85.02896	21.4
86.09754	0.8
91.05466	17.0
92.08997	2.7
93.03389	3.5
93.07018	1.1
95.04954	17.4
97.02855	6.2
97.06512	1.7
97.11739	0.8
99.04452	1.1
105.03381	3.5
106.02911	3.1
107.03203	1.3
107.04945	6.9
109.02889	4.4
109.06496	14.4
110.03675	1.1
111.04424	1.9
112.07611	0.8
119.04909	9.2
121.02846	58.7
121.10087	1.2
123.04416	17.8
124.03920	8.3
125.02349	3.4
125.04281	4.0
125.05976	3.1
127.03911	1.2
133.02834	15.1
135.04391	6.0
137.05959	24.8
139.03851	8.4
140.04665	100.0
145.04953	1.3
147.04398	8.8
149.06033	1.0
151.03867	0.9
151.07463	1.1
152.04681	1.7
153.05460	2.1
155.07004	70.8
163.03867	4.9
164.04616	0.8
165.05453	19.7
167.07001	4.7
171.05159	0.9
171.06450	6.0
173.08057	5.9
175.03873	1.3
177.05402	1.2
179.07014	11.7
180.04138	18.7
181.04933	72.6
183.06476	1.5
185.79367	0.8
192.04210	1.4
193.04944	20.8
195.06497	12.9
197.08119	7.4
197.09636	0.9
207.06502	26.2
208.06912	2.0
225.07539	19.5
228.24368	0.8
243.08604	71.5
249.10345	0.9
265.07031	3.7
269.08530	1.0
283.08154	4.3
361.14691	1.7
405.13583	4.3
405.17947	1.7
405.21609	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	404.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	3.3
54.99960	2.6
55.01852	7.6
55.05314	2.6
55.05506	42.8
57.03422	32.1
57.07047	4.3
67.05488	90.8
69.03422	6.3
69.07049	38.1
70.65520	3.1
71.04971	7.0
71.08617	27.7
75.61961	3.0
77.26670	3.4
79.05466	58.9
81.03400	5.3
81.06590	5.6
81.07037	100.0
83.04962	20.5
83.08600	18.6
85.02873	3.1
91.05452	36.0
93.07018	82.0
95.04944	23.4
95.08582	41.1
97.06514	12.9
97.10138	11.3
99.08055	20.7
105.06998	33.3
107.08562	47.0
109.06512	6.9
109.10112	14.7
111.08055	5.7
116.42707	3.1
117.06993	6.7
119.08582	21.5
121.10126	14.9
122.42770	2.8
123.11632	4.5
125.09593	5.2
129.06958	4.2
131.08517	12.7
133.10095	16.6
135.11626	12.4
139.11151	3.1
145.10149	4.4
147.11668	13.2
149.13229	23.1
151.11163	20.7
159.11681	19.4
161.13200	6.2
163.11154	5.8
168.35570	2.9
173.11736	4.1
175.14758	3.7
177.12718	14.2
179.14317	5.2
227.12717	19.9
229.14217	3.2
251.03384	3.3
269.17410	71.4
277.21548	15.7
351.25208	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	404.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97865	2.9
53.00303	3.0
54.81821	2.9
55.01859	6.8
55.05500	48.8
56.28075	3.0
57.03429	37.3
57.07054	4.9
59.49888	2.9
65.03894	3.8
67.05496	98.3
69.03420	3.9
69.07055	45.6
71.04970	5.2
71.08302	2.9
71.08616	39.0
77.78546	2.5
79.05054	3.9
79.05478	68.9
81.03410	4.3
81.07037	100.0
83.04988	25.9
83.08601	34.0
85.06528	5.0
91.05447	44.8
93.07025	82.4
95.04930	20.9
95.08586	44.6
97.06501	15.9
97.10172	25.5
99.08044	21.7
105.07007	23.0
107.08574	48.2
109.06508	4.0
109.10155	28.2
111.08048	4.9
117.06982	13.8
119.08547	19.9
121.10105	17.9
122.93662	2.9
123.08054	3.8
123.11642	3.7
124.48042	3.0
125.09592	18.7
129.06967	4.9
131.08540	20.0
133.10075	14.6
135.08035	4.3
135.11641	12.1
139.11116	3.5
143.08571	4.4
145.10150	6.8
147.11667	4.9
149.13213	15.7
150.29561	3.0
151.11107	22.0
157.37045	2.9
159.11667	17.7
161.13269	12.3
163.11151	13.1
173.11719	6.8
177.12717	12.1
179.14255	3.8
189.11070	6.6
195.13687	4.6
225.04417	3.4
227.12761	18.0
229.14395	11.7
245.13918	4.2
259.20416	4.3
269.17416	68.2
277.21448	27.6
351.25177	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52172	0.4
53.03934	2.0
54.81342	0.5
55.01852	1.0
55.05273	0.5
55.05493	4.2
57.03428	1.2
57.07056	0.5
59.04994	4.7
61.02907	2.2
67.05497	4.8
69.03413	5.8
69.07044	1.3
71.04966	1.2
75.29266	0.5
79.05477	5.0
80.35165	0.5
81.03398	5.6
81.07036	7.1
83.04950	1.2
85.02882	24.8
91.05456	8.0
92.08739	0.8
92.09206	0.9
93.07018	8.3
95.04946	5.2
95.08585	3.3
96.05276	0.6
97.02866	4.9
98.12885	0.6
99.04404	0.6
100.50394	0.6
101.05994	1.3
102.26906	0.5
105.03368	26.7
105.07008	23.8
106.03706	10.7
107.08583	20.2
109.02850	2.5
109.06487	10.7
109.10118	7.7
115.05424	1.0
117.06992	3.4
119.08557	26.9
119.09396	1.2
121.06455	2.2
121.10130	4.9
122.07287	0.7
123.04403	3.5
123.08042	11.8
123.11669	10.6
124.04738	1.0
125.05882	0.9
127.03870	3.9
128.06186	0.8
129.06999	0.9
130.07761	2.5
131.08577	5.3
133.06468	11.8
133.07417	0.9
133.10094	4.7
135.08044	5.6
135.11670	5.6
137.09590	42.4
143.08531	3.3
145.04880	0.8
145.10097	25.1
147.08069	4.4
147.11664	41.3
149.09596	8.6
151.07564	1.1
153.09056	2.5
156.09315	12.2
159.07976	4.3
159.11661	2.0
160.07193	0.6
160.08733	1.0
161.09624	1.1
161.13202	8.1
171.11656	8.0
174.10391	3.7
179.14256	0.6
189.12704	100.0
207.13777	18.2
224.16525	0.7
225.14746	4.5
236.03696	0.7
267.08557	2.6
268.09003	3.8
275.58936	0.6
410.61044	0.6
427.68793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00598	0.5
53.03919	0.9
54.81538	0.6
55.05495	3.4
57.03430	0.7
57.07067	1.3
61.02905	0.8
67.05477	1.0
69.03391	2.2
69.07053	5.9
71.04967	0.9
79.05470	33.4
81.07037	36.1
83.08591	1.2
85.02883	7.1
85.06533	2.9
91.05440	5.4
92.09187	0.7
93.07028	11.4
95.04925	2.5
95.08561	4.1
97.02847	2.3
97.06511	12.7
105.03384	0.8
105.07002	11.1
107.04943	7.9
107.07868	1.2
107.08578	30.7
109.06534	2.1
109.10106	3.3
119.08546	12.6
121.06470	0.7
121.10126	9.6
123.08039	1.3
123.11654	2.2
125.05967	100.0
133.06441	2.5
133.10106	5.3
134.82185	0.6
135.11676	5.4
137.05946	5.2
139.07523	3.4
140.32581	0.6
145.10098	0.6
147.08002	3.1
147.11652	1.1
151.07516	7.4
153.09131	2.2
161.13226	29.8
163.14725	0.8
165.08968	1.1
167.06856	0.6
171.11673	0.7
179.10617	1.0
179.14230	4.4
189.12703	19.2
207.13765	66.2
233.29645	0.7
370.56570	0.7
428.19901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
53.42195	0.3
54.82221	0.4
55.01854	0.6
55.05312	0.3
55.05502	4.5
55.15925	0.3
57.03427	3.5
57.07055	0.7
59.04981	0.4
61.02915	0.8
62.69279	0.3
62.82280	0.3
67.05481	1.6
69.03414	2.7
69.07043	2.5
71.04969	1.6
79.05457	2.6
81.03388	1.7
81.07037	3.8
83.04957	0.6
85.02419	0.5
85.02888	7.4
85.06516	1.9
87.04419	0.8
91.05443	1.7
92.09155	0.9
93.07019	3.4
94.74128	0.4
95.04951	1.6
95.08588	3.6
97.02865	1.8
97.06498	0.8
97.10138	6.6
99.04428	1.5
105.03367	6.3
105.07006	4.9
107.04933	0.7
107.08567	4.6
109.02892	0.7
109.06487	2.3
109.10132	3.2
111.04403	0.4
111.08024	0.4
119.08557	3.7
119.09270	0.4
121.06450	0.4
121.10130	2.6
123.08036	100.0
123.11649	1.7
124.08384	0.4
125.09599	5.2
127.03841	0.7
131.08481	0.5
133.10049	3.6
135.08040	0.8
135.11700	0.8
137.09595	0.7
139.03883	0.5
147.04503	0.4
147.08005	0.5
147.11673	3.0
149.09567	4.0
151.07536	4.6
151.11180	1.6
161.09586	1.8
161.13260	1.8
163.07397	0.4
163.11147	1.6
165.12680	3.4
166.06084	0.4
167.07010	0.8
171.11691	0.4
179.14270	0.5
189.09061	0.5
189.12723	4.0
207.13754	44.1
220.06567	0.4
225.14761	5.2
249.07423	0.4
249.48726	0.4
261.84845	0.5
267.08643	0.8
281.26019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
57.03425	0.8
61.02911	0.6
63.46230	0.3
67.05485	1.5
69.03400	2.6
69.07045	0.5
71.04972	0.6
79.05457	2.7
81.03392	1.9
81.07037	1.7
83.04964	3.2
85.02886	8.7
85.06531	0.5
91.05441	0.5
92.09174	1.8
93.07031	1.6
95.04927	2.8
95.08598	3.7
97.02865	2.0
97.06509	2.4
99.04403	0.6
99.08082	0.4
105.03373	16.7
105.06999	2.2
107.08559	2.6
109.02843	0.8
109.06498	4.9
109.10158	0.5
111.08073	2.2
113.62772	0.3
119.08572	2.4
121.06487	0.6
121.10119	8.3
123.04442	3.4
123.08044	100.0
123.11685	1.5
127.03881	1.4
133.10164	1.2
135.11629	1.4
137.09578	3.7
141.39578	0.4
145.10115	0.7
147.08073	0.7
147.11684	2.4
149.09615	2.7
151.11159	5.1
161.13257	1.4
161.65582	0.4
163.11185	2.0
165.12724	6.9
167.10689	3.7
171.11615	0.5
181.12224	4.9
189.12671	2.8
202.73877	0.3
207.13788	7.0
219.18596	0.4
225.14815	12.8
249.07396	0.6
265.19083	0.4
267.08591	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	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19320	0.4
53.03928	0.9
55.01849	0.6
55.05502	2.0
57.03416	0.7
59.04981	0.7
61.02908	1.1
65.78513	0.5
67.05485	1.1
69.03406	4.7
69.07054	0.8
71.04981	0.6
74.66274	0.5
79.05476	2.7
79.57667	0.5
81.03381	2.6
81.07010	3.3
83.04948	0.5
85.02890	20.9
85.06499	0.5
86.80489	0.4
91.05462	5.7
91.05972	0.6
92.09050	3.0
93.07032	4.9
95.04955	2.1
95.08569	1.3
96.50912	0.6
96.63573	0.5
97.02859	2.1
101.05963	0.8
105.03379	11.2
105.07012	16.7
106.03705	4.3
107.08572	7.9
109.02885	0.7
109.06488	5.4
109.10136	4.0
115.05457	0.5
117.06989	3.4
119.08563	22.2
120.16393	0.5
121.10093	3.1
123.04411	1.2
123.08010	4.5
123.11688	8.6
127.03862	0.8
128.06180	0.6
129.06947	0.9
130.07744	2.1
131.08505	4.0
133.06487	12.2
133.10054	2.6
135.08009	1.3
135.11673	1.0
137.09596	14.4
143.08530	3.5
145.10104	22.3
146.10876	1.2
147.08041	3.2
147.11665	37.3
149.09569	3.9
151.07555	0.8
156.09326	8.8
159.08018	2.2
159.11681	0.7
160.08771	0.9
161.13206	3.1
169.64055	0.6
171.11633	6.4
174.10387	3.3
189.12706	100.0
207.13754	14.2
218.05124	0.5
225.14803	2.7
249.07654	0.6
268.08820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01863	0.6
55.05500	4.6
57.03428	3.3
57.07050	0.5
61.02895	0.5
67.05490	1.7
69.03419	3.0
69.07048	2.4
71.04974	1.6
73.02859	0.3
73.82307	0.2
75.00385	0.3
76.56081	0.3
79.05470	2.2
81.03393	2.2
81.07053	2.9
83.04960	1.3
83.08591	0.5
85.02893	5.9
85.06511	1.7
87.04445	0.6
91.05476	2.0
92.08810	0.3
93.07030	3.2
95.04969	2.3
95.08584	3.5
95.49541	0.3
97.02883	2.2
97.06527	1.1
97.10148	6.9
99.04438	2.4
103.05451	0.4
105.03368	7.9
105.07021	3.9
106.03712	0.4
107.08585	3.7
109.02879	1.4
109.06513	1.6
109.10150	3.8
117.07002	0.4
119.08532	3.5
121.06497	0.5
121.10131	1.9
123.04417	1.4
123.08045	100.0
123.11640	1.0
124.08394	0.3
125.06022	0.3
125.09621	5.3
126.20276	0.3
127.03919	1.1
131.08507	0.6
133.06473	0.6
133.10117	3.3
135.08025	1.1
135.11690	0.6
137.09691	0.6
137.13196	0.3
139.03870	1.6
143.08676	0.3
145.04987	0.4
145.10103	1.1
147.08080	0.5
147.11627	1.9
149.09569	2.9
151.07513	4.4
151.11171	1.9
159.11664	0.3
161.09555	2.0
161.13242	1.4
163.11171	1.3
165.12711	3.1
167.07085	0.3
171.11591	0.3
179.10643	1.1
179.14279	0.5
189.09061	0.3
189.12729	4.6
207.13771	40.6
225.14795	4.8
249.07552	0.4
267.08728	1.0
404.13116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71863	0.9
53.03925	4.1
55.01860	0.9
55.05494	7.7
58.40885	0.9
59.04988	1.5
61.02902	1.0
67.05487	5.6
69.03411	16.6
69.07054	2.1
71.04971	4.4
79.05466	16.1
80.05811	1.1
81.03391	11.8
81.07040	6.3
82.00983	0.9
83.04964	2.4
83.08605	1.3
85.02888	16.5
85.06519	5.6
91.05455	26.0
92.08847	4.1
92.09341	1.0
93.07023	28.9
95.04935	7.1
95.08575	13.8
97.02864	6.5
97.06548	1.4
99.04424	2.1
103.05431	1.0
105.03369	60.2
105.07005	64.4
106.03709	7.0
107.08572	100.0
109.02866	4.7
109.04478	0.9
109.06490	18.1
109.10146	2.2
111.08072	1.0
116.06208	1.6
117.06984	6.4
119.07711	2.2
119.08555	59.8
121.06470	3.9
121.10114	28.9
123.04384	4.7
123.08015	10.2
123.11678	4.9
124.04673	1.2
125.05955	1.5
127.03880	4.1
127.07510	2.2
129.06985	2.2
131.08539	89.7
132.09277	1.9
133.06459	1.5
133.10118	6.0
137.09615	13.1
143.08588	2.1
145.04993	1.0
145.10092	17.3
146.00871	0.9
147.08022	5.2
147.11664	75.3
149.09589	23.5
151.07520	3.8
156.09270	7.7
159.11678	4.3
161.13228	6.9
163.11159	7.0
165.12651	1.9
171.11658	5.2
174.10426	2.1
177.12695	1.3
189.12698	71.5
207.13770	68.3
219.63071	1.1
225.14735	1.7
249.07475	8.9
250.07771	1.2
267.08600	6.3
268.08948	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
54.81986	0.5
55.01858	0.9
55.05497	3.2
57.03429	0.9
57.07048	0.4
67.05472	0.9
68.26606	0.5
69.03413	2.4
69.07050	1.9
71.04974	5.2
79.05472	4.1
81.03401	2.8
81.07048	5.5
83.04988	3.6
83.08601	3.0
85.02895	11.2
85.06503	1.7
87.04448	4.0
91.05452	4.2
92.08875	2.1
93.07021	4.1
95.04946	6.3
95.08571	5.0
97.02869	2.2
97.06498	2.0
99.04451	8.5
100.11231	2.4
102.98321	0.5
105.03380	7.7
105.07020	5.4
107.04999	0.5
107.08581	40.2
109.02856	0.9
109.06507	5.6
109.10115	0.9
111.04440	0.9
111.08074	0.5
119.08565	4.4
121.06505	0.9
121.10136	9.5
123.08045	100.0
123.11681	6.5
125.05988	3.2
125.09602	17.4
129.06992	0.7
131.08533	5.0
133.10115	1.2
135.11606	0.5
138.05482	0.9
139.03923	0.6
139.11162	2.8
143.08527	0.7
144.70396	0.5
145.10083	1.1
147.11661	3.0
149.02316	0.7
149.09598	29.6
150.02614	1.0
151.07552	4.2
151.11192	0.7
157.82373	0.5
161.09579	0.6
161.13210	0.6
163.11108	0.8
165.09116	0.5
165.12726	2.8
167.07063	0.7
167.10640	7.0
168.07440	0.6
171.11684	0.7
182.15225	0.6
183.13811	2.9
189.12686	5.7
207.13757	8.6
218.64598	0.5
225.14812	37.5
237.14902	0.8
249.14717	1.0
358.45026	0.5
359.61606	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.7
55.05506	1.2
56.96555	17.2
57.03418	0.6
58.20129	0.5
67.05490	5.5
67.07307	0.6
69.07052	1.3
76.74892	0.6
79.05459	3.4
81.07047	6.3
83.08637	0.9
85.06535	0.7
91.05449	3.2
92.08597	0.8
92.09102	4.5
93.07008	4.8
94.04140	0.8
95.04930	1.0
95.08561	3.1
97.06477	0.8
98.97559	87.1
105.07001	3.2
106.00321	0.6
107.08580	2.5
109.10141	1.2
116.98598	93.2
119.08597	1.2
121.10137	1.5
122.03644	6.5
131.08586	0.8
133.10110	1.3
134.99634	61.5
135.11652	0.7
137.05952	61.0
153.00681	10.7
158.01190	2.5
177.12695	1.2
179.00121	1.4
180.00896	0.7
197.01216	4.5
198.02019	1.1
211.02686	3.1
215.02289	1.0
216.02867	0.8
220.00339	2.6
226.11116	21.3
235.02713	38.7
235.04997	1.3
238.01524	5.2
242.10629	3.2
244.12204	14.7
253.03780	100.0
267.13812	0.8
268.12103	3.2
269.17450	1.5
271.04788	6.0
276.05392	3.9
280.12189	0.7
298.13229	0.7
344.15308	4.1
351.25256	1.2
362.16275	1.3
403.32074	1.4
404.17343	66.0
404.32208	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	404.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68979	0.4
52.23351	0.4
53.03930	0.9
53.53815	0.4
55.01862	0.9
55.05482	0.9
57.03423	0.9
59.97923	0.4
61.02914	3.6
65.03916	0.9
69.03414	8.2
69.07075	0.6
70.06561	0.9
71.04944	0.6
73.02882	2.4
74.83346	0.6
81.03391	3.7
82.06558	3.9
84.08130	0.7
85.02888	22.6
86.09692	5.3
87.04474	0.6
87.10028	0.7
89.03904	0.5
91.05460	19.9
92.08622	1.0
92.09203	2.3
92.64909	0.5
93.07003	1.0
95.04977	1.4
97.02867	6.5
99.04446	2.2
100.07592	2.5
103.05427	2.9
105.03327	3.3
105.06992	0.7
107.04974	1.0
107.08514	0.5
109.02853	3.2
109.06516	0.7
117.03350	0.7
117.06963	0.6
118.04127	2.4
119.04922	38.6
119.08530	0.6
120.08002	0.4
121.06486	2.2
121.10141	1.0
123.04406	3.0
127.03908	4.5
127.69717	0.4
131.04904	0.8
132.02042	1.0
133.02869	0.5
135.04402	0.6
137.05983	0.7
145.02802	3.1
145.04941	2.7
147.04385	38.0
147.07999	0.7
149.02237	0.9
149.05960	1.0
157.03932	3.7
159.04372	1.2
161.05937	1.9
164.04626	3.0
165.05438	0.8
167.06979	1.1
172.08752	0.8
175.03873	60.0
177.01794	0.9
177.05466	2.0
178.12149	0.6
179.06987	2.9
180.08633	2.7
181.08453	0.6
183.06546	0.7
189.09048	0.8
192.04149	20.5
193.04900	2.1
207.06496	100.0
210.05286	0.8
225.07535	32.9
242.11002	0.6
246.11261	1.9
249.07547	0.6
257.84235	0.5
263.13928	0.7
355.03665	0.5
404.21506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18444	0.3
54.81761	0.5
55.01858	0.4
57.03420	1.8
58.82179	0.3
61.02907	2.6
61.90443	0.4
65.03909	0.5
67.05499	0.5
69.03409	3.7
70.06577	10.5
73.02871	0.4
75.41920	0.4
78.03327	0.3
81.03416	2.7
81.16746	0.4
85.02885	12.7
87.00807	0.5
91.05456	23.2
92.08995	0.5
93.07049	0.4
95.04965	0.5
97.02864	5.8
99.04442	0.8
101.62656	0.4
103.05414	0.7
105.03373	2.5
105.07020	0.6
107.08582	0.5
109.02847	1.7
112.07574	8.3
118.04124	1.9
119.04917	44.2
121.02850	0.8
123.04459	0.7
123.08067	0.4
127.03869	2.3
132.02016	0.8
136.05148	0.5
140.07037	2.6
145.02811	0.5
145.04922	0.9
147.04385	36.0
149.02325	2.0
153.05449	0.5
157.03966	3.2
158.08167	0.4
163.03854	0.5
164.04651	3.1
174.03091	0.6
175.03862	59.5
176.04437	0.4
179.07005	2.8
180.08696	0.5
183.06543	0.5
192.04124	22.1
207.06493	100.0
207.13751	1.6
208.06822	0.5
225.07527	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66998	0.3
53.00290	0.3
53.03946	3.4
55.01869	0.6
55.05497	0.5
57.03414	0.6
61.02906	0.4
64.32604	0.3
69.03417	9.9
71.04976	2.5
73.02898	0.6
75.06936	0.4
77.09132	0.3
77.13169	0.4
77.77370	0.3
78.03434	10.9
80.04984	0.8
81.03400	18.3
83.04954	3.4
85.02894	10.1
92.08878	0.9
96.04480	4.7
97.02875	5.5
99.04446	3.0
101.02412	0.4
101.05984	3.9
106.02901	59.4
109.02885	10.0
113.82043	0.4
117.03320	0.4
118.29711	0.4
121.02842	2.6
124.03934	100.0
124.14481	0.4
125.04237	0.8
127.03898	4.4
145.02823	0.8
146.26666	0.4
147.04376	0.5
153.84171	0.4
163.03888	2.0
166.04906	0.6
167.07002	0.5
172.05450	0.5
176.43523	0.3
177.05405	0.8
197.18526	0.4
232.06075	2.0
242.14023	0.4
250.07069	10.2
268.08112	35.0
283.54114	0.4
286.09174	2.1
404.15460	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93869	0.6
53.03913	1.2
53.57645	0.6
55.01847	0.8
55.05500	16.5
57.03414	5.3
57.07049	5.3
61.02889	1.6
67.05489	20.7
69.03410	7.6
69.06712	1.4
69.07050	21.5
71.04970	9.7
71.08601	1.4
79.05467	7.3
81.03378	4.7
81.07034	38.1
83.04952	3.4
83.08601	11.2
85.02889	12.4
85.06522	100.0
85.48254	0.7
87.08099	0.8
89.49277	0.8
91.05448	4.4
92.08792	0.9
93.07021	14.6
95.04945	3.3
95.08581	52.7
97.02876	4.9
97.06492	4.0
97.10144	4.8
99.08067	13.1
100.11206	1.1
101.00576	1.3
103.07525	1.0
105.03368	13.0
105.04497	0.8
105.06995	3.9
106.03694	6.1
107.08578	18.0
109.02871	0.8
109.06535	2.6
109.10130	38.2
111.08038	0.9
111.11736	1.7
113.09608	4.2
119.08539	3.8
121.10113	11.5
123.04425	0.8
123.11674	29.5
127.03886	3.9
127.11123	1.3
131.08572	1.1
133.10118	3.2
135.11661	10.3
137.13234	2.0
141.12679	1.5
145.10103	1.0
147.11687	1.7
149.13223	10.8
151.61449	0.8
153.05441	1.3
163.11108	1.7
163.14742	4.4
167.07013	2.9
167.14323	1.0
177.16339	1.5
179.17911	1.4
181.04919	0.9
182.15297	1.1
205.19470	7.5
223.16862	3.6
223.20564	10.9
241.09662	1.6
241.17812	1.3
241.21562	18.8
268.08969	1.5
389.44058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01860	2.1
55.05501	0.8
57.03430	2.4
61.02911	3.3
68.05025	0.6
69.03416	9.3
71.04985	1.1
73.02894	2.6
75.17382	0.4
79.05473	2.6
81.03394	4.6
85.02887	24.3
86.09722	1.1
87.04452	0.8
89.03931	0.7
89.97629	0.5
91.03924	1.0
91.05461	22.4
91.06004	1.1
92.08646	0.5
92.09156	2.0
93.07033	5.1
94.07349	0.8
95.04941	3.3
97.02863	7.5
98.97580	2.6
99.04452	3.0
103.05444	1.2
105.03398	1.3
105.06992	0.7
107.04969	0.6
107.08556	0.9
109.02872	2.9
109.10098	0.7
114.05505	1.0
116.98590	2.3
117.03356	0.8
118.04176	1.1
119.04918	40.0
121.02816	0.7
121.06494	6.0
122.06782	2.0
123.04404	4.0
126.03161	0.5
127.03920	4.6
127.07654	0.6
132.02063	0.7
133.02859	0.8
135.04269	0.6
135.08032	2.3
136.07541	0.7
139.03845	0.6
141.05455	2.6
145.02875	2.8
145.04945	3.5
146.03574	0.8
147.04391	39.4
147.08012	0.6
149.02364	1.3
149.05946	0.8
157.03979	3.2
161.05989	2.3
163.03882	3.5
163.07494	4.5
164.04663	3.9
165.05408	4.0
169.04926	5.1
175.03867	63.1
177.01921	0.6
177.05460	2.4
179.06966	3.9
180.08675	2.6
180.99571	0.6
189.05421	4.0
189.09099	2.0
192.04144	20.1
192.05891	0.8
193.04921	0.7
205.12186	1.0
206.08131	3.7
206.12543	1.1
207.06499	100.0
217.04962	0.6
219.01698	0.7
224.13536	0.6
225.07533	31.0
225.09737	1.1
233.96419	0.6
237.02988	0.7
242.13748	0.8
252.08664	8.2
322.97275	0.5
381.10416	1.2
384.37378	0.6
386.12161	0.7
396.00980	0.5
404.13071	0.8
404.72366	0.6
411.10080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93869	0.6
53.03913	1.2
53.57645	0.6
55.01847	0.8
55.05500	16.5
57.03414	5.3
57.07049	5.3
61.02889	1.6
67.05489	20.7
69.03410	7.6
69.06712	1.4
69.07050	21.5
71.04970	9.7
71.08601	1.4
79.05467	7.3
81.03378	4.7
81.07034	38.1
83.04952	3.4
83.08601	11.2
85.02889	12.4
85.06522	100.0
85.48254	0.7
87.08099	0.8
89.49277	0.8
91.05448	4.4
92.08792	0.9
93.07021	14.6
95.04945	3.3
95.08581	52.7
97.02876	4.9
97.06492	4.0
97.10144	4.8
99.08067	13.1
100.11206	1.1
101.00576	1.3
103.07525	1.0
105.03368	13.0
105.04497	0.8
105.06995	3.9
106.03694	6.1
107.08578	18.0
109.02871	0.8
109.06535	2.6
109.10130	38.2
111.08038	0.9
111.11736	1.7
113.09608	4.2
119.08539	3.8
121.10113	11.5
123.04425	0.8
123.11674	29.5
127.03886	3.9
127.11123	1.3
131.08572	1.1
133.10118	3.2
135.11661	10.3
137.13234	2.0
141.12679	1.5
145.10103	1.0
147.11687	1.7
149.13223	10.8
151.61449	0.8
153.05441	1.3
163.11108	1.7
163.14742	4.4
167.07013	2.9
167.14323	1.0
177.16339	1.5
179.17911	1.4
181.04919	0.9
182.15297	1.1
205.19470	7.5
223.16862	3.6
223.20564	10.9
241.09662	1.6
241.17812	1.3
241.21562	18.8
268.08969	1.5
389.44058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48977	1.0
52.65385	1.0
53.03939	3.0
55.01860	8.3
55.05509	18.0
57.03428	9.4
59.04985	5.7
61.02909	5.5
65.03947	1.5
65.16785	1.1
67.05491	20.3
68.99771	1.5
69.03417	33.3
69.07055	7.8
71.01330	1.6
71.04981	10.6
72.08142	9.5
73.02893	1.3
75.76147	1.3
79.05473	23.1
81.03397	11.1
81.07035	20.4
83.04958	14.8
85.02887	45.1
85.06503	1.4
86.09684	8.0
87.04462	2.3
91.05460	34.2
93.07024	43.2
93.07628	1.4
95.04942	15.9
95.08572	15.6
97.02859	14.1
97.06514	8.4
98.97585	1.5
99.04430	5.4
103.05450	5.1
105.03367	3.1
105.07010	47.4
107.04926	9.5
107.08576	61.5
109.02894	5.1
109.06502	49.3
109.10151	16.9
111.04443	2.3
111.08062	47.8
117.07009	14.3
118.22215	1.8
119.04924	2.6
119.08553	31.8
119.58488	1.1
121.06478	40.4
121.10097	21.9
122.07314	1.7
123.04470	3.3
123.08038	27.8
124.03926	2.3
125.06016	1.9
125.09606	78.9
127.03885	6.7
128.06149	1.6
129.06981	7.1
130.07784	2.7
131.08572	14.7
133.06483	6.5
133.10106	16.8
135.08026	67.6
135.11652	12.3
135.24323	1.3
137.05997	6.1
137.09599	68.7
139.07555	10.1
141.06989	2.0
142.07751	1.4
143.08508	1.7
143.11842	2.1
144.09306	6.7
145.04980	1.9
145.06508	3.2
145.10094	11.1
146.07291	1.6
147.08006	10.5
147.11687	5.6
149.05951	50.8
149.07077	2.1
149.09602	7.9
149.13283	5.9
151.03873	1.5
151.07515	13.6
151.11179	2.9
153.09085	100.0
157.10112	6.8
158.84288	1.3
159.11670	28.1
160.08842	2.8
161.09599	8.7
161.13188	1.4
163.11148	13.6
167.07036	3.0
172.08806	2.5
175.11134	19.2
177.12708	23.3
179.10651	3.1
181.08580	2.6
181.12210	2.5
187.11098	9.7
187.14622	1.3
193.12228	12.1
197.76793	1.3
205.12204	34.6
220.98828	1.4
223.13261	32.9
223.15286	2.1
241.14307	30.2
247.06360	1.4
269.23227	1.2
403.15338	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.05499	0.2
57.03419	1.9
59.04983	0.6
61.02911	0.5
69.03069	0.5
69.03413	7.9
71.04971	0.6
75.07114	0.3
77.03907	0.5
79.05470	9.1
81.03398	8.9
83.04950	0.5
85.02888	13.0
92.09113	1.2
94.11749	0.3
95.04935	5.0
97.02876	4.2
99.04430	1.4
100.29877	0.3
101.05983	0.5
105.03369	100.0
109.02859	4.7
119.07031	0.4
123.04401	14.4
127.03870	5.0
145.04932	1.2
175.43488	0.3
187.49654	0.3
231.06671	0.3
249.07506	5.4
267.08563	15.0
403.25388	0.3
405.92242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.2
52.26567	0.2
53.03940	2.9
55.05489	0.4
57.03424	1.3
61.02910	0.3
67.15444	0.2
67.15813	0.2
69.03413	8.8
69.47980	0.2
70.71600	0.2
71.04970	1.0
77.03904	1.0
79.05472	9.0
79.93720	0.2
81.03400	8.2
83.04945	1.3
85.02888	13.6
92.09076	1.4
95.04944	5.5
97.02871	3.8
99.04431	0.9
101.05993	2.0
102.70568	0.2
104.49091	0.2
105.03371	100.0
106.03722	1.0
109.02850	4.7
109.06551	0.2
123.04401	14.8
127.03883	4.8
137.09572	0.2
145.04932	0.4
231.06512	1.2
249.07492	4.9
249.09860	0.3
262.33371	0.2
267.08575	15.2
416.86838	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
55.05481	0.5
57.03417	1.7
59.04974	0.6
61.02913	0.4
65.63688	0.3
69.03068	0.5
69.03417	8.5
71.04984	0.5
77.03886	0.4
79.05051	0.5
79.05476	9.8
81.03397	8.2
83.04967	0.7
85.02888	13.6
92.09038	1.3
95.04954	6.2
97.02879	4.4
99.04443	1.2
100.13307	0.3
101.06016	1.2
105.03373	100.0
107.08603	0.6
109.02874	4.9
123.04400	15.3
127.03892	5.2
145.04965	1.3
199.06422	0.3
231.06499	0.6
249.07524	4.4
267.08594	14.0
351.75348	0.4
380.02518	0.3
405.07108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.3
53.03940	3.2
55.01855	0.2
55.05498	0.3
57.03426	1.7
59.04981	1.2
59.30519	0.1
61.02909	1.0
61.24661	0.1
64.53835	0.1
69.03416	8.4
71.04963	0.7
71.22220	0.2
73.02859	0.2
75.93053	0.1
77.03909	0.8
79.05473	9.6
80.20791	0.1
81.03397	6.8
83.04958	0.8
85.02888	14.9
85.06514	0.3
91.05479	0.2
91.71532	0.2
92.09164	0.5
93.07028	0.3
95.04946	6.4
95.08543	0.2
97.02871	3.6
99.04436	1.3
101.05989	1.0
105.03372	100.0
106.03719	0.9
107.08540	0.3
109.02866	4.3
119.07030	0.6
119.08595	0.3
121.10127	0.2
123.04403	15.7
123.08051	0.3
125.09641	0.2
127.03892	4.8
133.10178	0.1
137.08134	0.2
145.04979	0.8
147.26723	0.2
160.71936	0.2
165.05463	0.3
169.92172	0.2
231.06517	0.6
249.07527	4.1
267.08569	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	403.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.05499	2.8
57.03429	2.5
61.02883	0.6
65.50955	0.3
67.07359	0.3
69.03417	7.4
69.32258	0.3
71.04974	3.0
77.03897	0.7
79.05473	10.1
81.03400	9.1
82.48026	0.3
83.04967	2.5
85.02885	14.1
85.03368	0.7
89.67023	0.3
91.05445	0.4
93.43184	0.3
95.04943	6.1
97.02869	3.8
99.04442	0.8
101.05997	8.1
105.03370	100.0
107.08623	0.6
109.02850	4.3
119.07026	2.2
119.08501	0.5
123.04404	15.4
127.03890	4.7
137.08058	2.8
137.09621	0.6
145.04959	0.6
147.11646	0.7
165.95125	0.4
181.14668	0.4
189.12767	2.1
207.82304	0.4
231.06407	0.5
249.07483	5.9
267.08594	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1595
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
53.03933	0.9
55.01861	0.9
55.05496	0.5
57.03432	16.8
58.47350	0.4
61.02916	6.3
61.10419	0.4
63.62277	0.4
64.83600	0.4
65.03938	0.6
67.05499	0.5
69.03418	23.1
69.29092	0.5
70.06577	3.7
71.01329	3.0
71.04967	0.6
73.02901	26.5
79.05471	0.7
81.03400	3.8
81.15934	0.5
83.04964	0.8
85.02893	36.0
86.09692	3.8
87.04442	1.0
91.05464	100.0
92.08762	1.1
93.07034	1.0
95.08620	0.6
97.02873	36.6
97.06510	0.9
99.04442	2.5
105.03376	3.0
105.07023	2.2
107.03239	0.5
107.08599	1.1
109.02834	3.8
109.10150	1.0
111.07983	0.5
115.03921	15.4
117.06992	1.0
119.08577	1.0
121.10114	0.8
123.04436	0.8
124.04009	0.8
125.04314	0.5
127.03889	7.8
129.06929	0.7
129.24272	0.5
130.69145	0.6
131.08493	0.6
131.58867	0.5
133.04950	2.8
133.06439	0.9
133.10112	1.0
145.04958	5.8
145.06432	0.9
145.10121	0.8
148.85550	0.5
163.06036	2.2
205.08633	0.7
205.12280	1.0
217.08649	0.8
223.13295	1.0
223.16887	0.5
241.07120	0.8
241.14320	0.9
242.70369	0.5
259.08234	0.8
295.10052	1.1
409.85907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33637	0.6
52.64151	0.7
52.96832	0.7
68.76434	0.7
76.81573	0.7
83.03242	0.8
92.08788	0.9
97.02857	5.2
98.97555	9.7
109.32230	0.8
111.45027	0.8
116.98618	7.8
119.01881	7.2
131.02037	0.7
131.25754	0.7
134.99583	6.8
137.02901	4.1
154.28419	0.9
170.00783	0.9
177.00894	13.1
178.00955	0.9
187.73695	0.7
207.27003	0.9
217.04108	1.1
218.99893	1.6
219.01958	29.8
220.01801	1.1
221.01865	0.9
234.99911	1.4
240.98669	1.1
243.01950	6.4
256.96484	1.6
258.99866	11.7
261.02994	100.0
262.00684	0.8
262.02939	6.0
266.48813	0.8
277.00916	16.4
278.01047	1.3
279.00607	4.6
281.00632	0.9
282.99875	15.3
284.04669	1.7
284.99805	1.5
286.99570	3.6
294.97665	1.0
301.00995	40.8
302.01166	1.8
303.00854	4.9
305.00577	7.1
319.01840	0.9
324.02591	0.9
356.96609	3.3
380.96585	4.1
384.95941	1.2
385.03134	8.6
398.97751	23.0
402.97375	4.3
403.04193	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18314	1.4
53.03926	3.0
54.62728	1.5
55.01851	10.2
55.05503	36.6
57.03431	26.6
65.03934	2.1
67.05492	100.0
69.03394	2.8
69.07054	52.5
70.62489	1.5
71.04974	4.1
79.05473	75.0
79.75847	1.4
81.03393	9.6
81.07040	85.9
83.04972	16.1
83.08605	17.6
85.06538	3.1
87.47281	1.6
91.05460	55.8
91.35091	1.6
93.07024	77.7
95.04939	13.6
95.08587	42.1
97.06499	19.3
97.10161	13.7
99.08015	1.9
105.07011	44.1
107.04923	11.1
107.08572	44.2
109.06498	10.1
109.10133	28.0
111.08060	7.1
117.06981	21.6
118.19314	1.6
119.08559	27.0
121.06533	3.7
121.10122	20.5
123.11702	1.8
125.09605	9.6
129.06964	3.4
131.08533	29.5
133.10107	25.7
135.08031	8.2
135.11650	15.7
137.09590	7.6
142.12691	1.6
143.08536	3.4
145.10117	23.3
147.11714	13.1
149.09608	12.9
149.13246	10.6
157.10056	4.0
159.11678	15.2
161.13263	3.1
163.11116	8.7
169.10141	2.1
171.11627	2.1
173.11719	3.0
173.13208	6.9
174.34895	1.7
177.12682	3.8
179.14233	1.9
185.13258	1.9
195.13733	2.6
201.12752	1.8
227.12764	4.0
229.14334	14.8
239.17883	3.0
255.15909	27.6
257.18845	5.8
269.17413	40.3
275.20032	26.2
349.23679	35.2
367.24548	8.2
406.30591	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.5
53.03941	2.8
53.71120	1.1
54.81442	1.3
55.01861	8.3
55.05266	2.4
55.05507	41.6
57.03429	37.4
57.07060	2.6
59.04988	1.6
65.03921	1.8
67.05494	86.2
69.03423	10.2
69.07055	46.6
71.01379	1.5
71.04977	7.5
79.05477	76.6
81.03395	7.3
81.07041	100.0
83.04976	14.8
83.08609	19.1
85.02872	2.2
85.06548	5.4
91.05462	49.0
92.09119	2.2
93.07025	81.0
95.04948	15.1
95.08586	42.2
97.02886	1.7
97.06498	18.6
97.10159	8.3
103.05448	1.7
105.03377	1.6
105.04527	1.7
105.07014	46.4
107.04937	7.5
107.08580	59.6
107.09301	2.5
109.06493	7.1
109.10157	15.9
111.08070	5.8
117.06990	22.4
119.08571	32.0
121.06477	8.4
121.10129	23.1
123.08032	5.7
123.11668	5.0
125.09622	8.2
128.06329	1.4
129.06995	8.0
130.07805	2.7
131.08545	25.6
133.10106	31.3
135.08051	3.3
135.11665	29.3
137.09557	4.7
143.08585	5.3
145.10095	17.8
147.11694	13.3
149.09627	12.6
149.13239	11.3
151.11211	1.6
157.10130	5.9
159.11671	21.1
161.13268	3.3
163.11148	9.6
169.10107	2.5
171.11652	2.0
173.13257	6.3
175.11092	1.9
177.12743	8.6
179.14275	2.1
181.12234	3.2
183.11713	1.9
185.13307	2.1
187.14743	1.5
189.11351	1.7
195.13794	6.0
197.13155	2.6
227.12686	6.2
229.19583	1.8
239.17885	2.9
247.20494	2.7
255.15883	43.7
257.19022	9.3
269.17444	49.3
275.20065	21.9
349.23697	22.7
360.17477	1.5
367.24725	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	402.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	11.7
55.05269	3.0
55.05505	68.4
57.03427	25.1
57.07047	2.6
57.10941	2.6
59.04979	3.0
67.05489	52.4
69.03394	5.7
69.07044	38.4
79.05476	67.5
81.06644	3.0
81.07045	38.6
83.04949	10.4
83.08591	30.0
85.02909	3.6
85.06508	4.1
85.67985	3.2
88.59692	2.6
91.05449	38.6
93.07032	34.7
95.04942	11.0
95.08582	26.9
97.06491	6.2
97.10146	67.8
105.03405	3.0
105.07008	39.8
107.04938	11.3
107.08575	91.3
109.06490	6.5
109.10130	12.7
109.44443	3.1
117.06982	6.9
119.08562	24.3
121.06478	3.8
121.10099	14.6
123.08012	4.2
125.09592	55.7
126.96169	3.2
131.08505	18.3
133.10091	17.1
135.07996	6.8
135.11649	4.1
135.60510	3.0
143.08551	3.6
145.10083	22.7
147.04399	11.1
147.11656	15.9
149.09572	4.7
154.07710	3.3
159.11705	6.0
163.11002	3.7
171.11610	3.8
173.13181	3.9
189.11118	20.9
227.12698	38.6
239.17926	4.8
245.13701	14.0
257.18906	12.4
261.45740	3.2
275.20035	30.0
331.22537	2.9
349.23639	100.0
367.24615	3.1
417.35220	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	402.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07637	0.3
52.88992	0.3
53.03937	3.5
55.01871	0.4
55.05492	0.5
57.03413	1.5
59.89077	0.3
63.83213	0.3
63.95039	0.3
64.67339	0.3
67.05483	0.7
69.03416	7.0
71.04971	0.6
73.12518	0.3
73.89362	0.3
79.05469	6.4
81.03398	14.3
81.07005	0.5
83.04937	0.4
85.02894	8.8
87.54584	0.3
91.05454	0.5
93.07009	0.6
95.04947	6.5
95.08593	1.5
96.27834	0.3
97.02866	5.8
99.04443	1.5
105.03373	100.0
106.03714	1.7
109.02866	8.1
123.04398	10.4
124.23029	0.4
127.03897	5.2
133.10126	0.6
145.04932	0.6
145.10069	0.4
207.06514	0.4
231.06534	0.6
237.00732	0.6
249.07515	13.5
267.08578	15.1
370.10272	0.5
402.15182	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80902	0.3
51.81783	0.2
53.03931	0.6
54.81790	0.4
55.01862	1.6
55.05507	1.4
57.03427	3.6
57.07063	1.7
61.02914	4.7
65.03941	1.2
67.05488	1.8
68.14429	0.3
69.03414	8.8
69.07058	1.4
71.01326	0.4
71.04975	2.1
73.02897	3.0
79.05483	1.4
81.03403	4.0
81.07052	2.7
81.14754	0.3
83.04971	0.6
85.02892	36.7
85.06527	19.6
86.08551	0.3
87.04465	0.8
91.03943	2.2
91.05457	1.7
92.08823	2.1
92.09435	0.6
93.03391	0.4
93.07031	2.2
95.04948	1.8
95.08571	1.4
97.02874	7.9
97.06484	1.3
99.04424	2.4
101.02391	0.3
105.03377	3.1
105.07013	2.4
107.04963	0.4
107.08569	1.7
109.02863	3.6
109.06493	0.7
109.10162	0.4
111.04393	0.4
111.08042	0.4
111.25303	0.3
113.06004	0.4
117.07007	0.5
119.08577	0.8
121.02842	100.0
121.10141	0.5
122.03144	0.5
123.08064	0.5
127.03889	7.8
131.08498	0.5
133.10117	0.4
135.08031	0.5
139.03882	80.7
145.04941	9.0
145.10089	0.7
147.08012	0.5
148.12029	0.4
149.01118	0.8
149.02321	19.5
149.05807	0.4
159.11592	0.4
161.05995	0.3
163.05988	1.8
167.03397	0.7
187.07556	0.5
203.18124	0.5
205.08667	0.5
205.15868	0.4
206.29440	0.4
211.09528	0.5
220.18379	0.3
223.09592	1.9
229.10678	1.6
364.46356	0.4
402.27130	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30805	0.1
52.22497	0.1
53.03933	0.3
54.18285	0.1
54.20266	0.1
55.05495	0.3
61.02908	0.2
67.05478	0.7
69.03410	1.7
69.07050	0.3
71.04971	0.3
79.05478	1.4
81.03404	1.6
81.07034	1.0
83.00990	0.2
83.04948	0.4
85.02887	2.8
85.06530	0.5
86.01546	0.2
87.00813	0.3
91.05460	7.5
91.84995	0.2
92.09290	0.4
93.07025	1.2
94.07326	0.2
95.04948	1.5
95.08592	1.7
97.02878	1.6
97.06533	0.3
98.01334	0.2
99.04433	0.3
103.05415	0.5
104.06194	0.2
105.01864	0.8
105.03371	10.5
105.06996	0.5
107.08567	0.9
107.59404	0.2
109.02847	1.2
109.06536	0.4
109.10117	0.5
109.47832	0.2
110.19901	0.2
115.05483	0.3
117.07000	6.9
119.08558	100.0
120.08878	0.7
121.06441	0.2
121.10143	0.3
123.04404	1.0
124.03876	0.3
127.03907	1.3
133.10048	0.7
135.11636	0.2
145.04950	0.3
145.10068	0.3
147.11676	0.3
154.06497	0.3
159.11700	0.3
167.07068	0.3
169.07655	0.5
177.09058	0.3
181.07463	0.6
195.05496	2.4
209.07013	0.3
213.06548	3.2
231.04843	0.3
249.07561	1.4
255.07619	0.4
264.04929	0.2
267.08493	1.5
273.08698	0.9
301.08221	0.9
384.11520	0.3
402.12778	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
53.03938	3.7
55.01850	0.3
55.05494	1.2
57.03413	1.0
57.39380	0.2
61.02904	0.3
64.11031	0.2
65.14288	0.2
67.05493	0.4
69.03070	0.3
69.03416	7.2
69.07062	0.4
71.04973	0.6
73.02901	0.3
74.84462	0.2
76.83070	0.2
77.03902	0.4
79.05470	6.1
81.03400	16.0
81.07040	1.7
82.07333	0.2
83.04986	0.3
85.02892	10.1
88.10078	0.2
92.08947	1.1
93.07039	1.1
95.04943	5.3
95.08585	1.5
97.02871	8.8
97.06540	0.3
99.04434	2.5
105.03373	100.0
105.06998	1.5
107.08556	0.9
109.02857	8.8
109.10143	0.4
116.11514	0.2
119.08559	1.2
121.10145	0.3
123.04405	11.3
127.03887	5.1
131.08517	0.5
133.10123	0.6
135.11674	0.3
145.04910	1.7
145.10107	0.4
147.08090	0.3
147.11647	0.3
159.11699	0.3
163.11263	0.3
203.17889	0.3
231.06514	0.5
249.07530	15.5
267.08582	14.7
351.96039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44039	0.3
53.03942	4.2
54.81161	0.4
55.05497	2.3
56.74276	0.4
57.03416	1.7
62.85084	0.4
69.03419	9.4
69.07047	0.4
71.04965	1.0
73.02908	0.5
73.06549	0.4
73.24769	0.4
75.31667	0.4
77.03944	0.4
77.86993	0.4
79.05481	7.3
80.67957	0.4
81.03401	14.3
81.07029	2.3
83.04964	29.6
85.02887	9.7
85.06514	0.7
90.26178	0.5
91.05435	0.8
93.06993	1.6
93.48880	0.5
95.04945	5.9
95.08591	0.6
97.02872	8.0
97.06535	0.5
99.04428	1.8
101.05997	17.8
103.05437	0.5
105.03372	100.0
105.07011	1.8
106.03713	1.7
107.04983	0.7
107.08565	2.5
109.02859	8.8
109.06516	0.8
109.10151	0.6
119.08578	0.9
121.10085	0.8
123.04406	11.5
127.03886	5.8
131.04889	0.8
133.10106	11.9
134.88930	0.5
135.08057	2.0
137.09601	7.5
145.04973	0.6
147.11671	0.7
149.13235	1.1
154.37997	0.5
159.11702	0.6
161.09676	0.6
167.07060	1.7
168.07355	0.6
173.13214	0.7
179.10602	0.6
191.14317	4.0
209.08002	0.5
209.15359	2.4
210.08630	0.4
220.08447	0.6
231.06700	0.6
249.07520	13.0
267.08575	12.9
269.08069	0.5
270.08395	0.7
311.46698	0.5
315.08554	0.7
316.08832	1.9
330.10983	0.6
331.11374	1.9
379.78473	0.4
384.15265	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.3
51.48514	0.3
52.14274	0.2
53.03941	4.8
53.19421	0.2
55.01863	0.6
55.05497	0.5
57.03419	1.3
57.34961	0.2
61.02902	0.4
67.05479	0.3
69.03073	0.3
69.03418	7.1
69.03767	0.5
69.07026	0.3
71.01310	0.2
71.04973	1.1
73.02887	0.5
77.03880	0.4
79.05474	4.7
81.03402	17.5
81.07040	1.4
83.08557	0.2
85.02889	8.2
85.03363	0.4
85.06517	0.2
87.00783	0.4
91.05444	0.3
92.08498	0.3
93.07005	0.5
95.04950	4.8
95.08585	1.3
97.02867	9.7
97.06515	0.3
99.04418	2.5
105.03374	100.0
105.07014	0.6
105.84239	0.3
106.03702	2.1
107.08563	1.2
108.30061	0.3
109.02856	9.3
109.10147	0.5
113.55531	0.2
119.08556	2.6
121.10139	0.3
123.04408	7.6
124.03922	1.1
125.04308	0.3
127.03900	6.4
127.63020	0.2
131.08586	0.3
133.10080	0.4
137.05908	0.4
138.57796	0.2
145.04959	1.3
145.10115	0.5
156.17847	0.2
167.96910	0.2
205.06975	0.3
249.07518	18.9
260.68439	0.2
267.08591	10.4
268.08917	0.3
294.24069	0.3
390.09885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.4
53.03935	4.0
55.01865	0.5
57.03423	2.3
69.03413	11.0
69.42372	0.4
71.04957	2.4
73.02898	3.1
73.68313	0.3
78.03432	16.2
80.04990	2.1
81.03396	25.9
85.02889	9.8
89.03901	0.5
96.04467	5.3
97.02879	6.0
99.04441	5.0
106.02896	71.6
109.02862	12.6
117.03297	0.7
117.05492	2.8
122.14169	0.3
124.03927	100.0
127.03886	5.4
135.04346	1.4
163.03848	3.6
166.04854	0.5
199.42464	0.4
232.06015	0.8
234.96878	0.4
250.07034	18.1
252.97847	0.6
268.08105	26.7
286.09122	1.6
384.12845	2.5
402.13791	9.8
402.18622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.7
55.01865	20.4
55.05504	1.0
57.03222	0.9
57.03430	14.6
59.04984	1.1
61.02905	8.1
61.93656	1.0
69.03413	50.8
70.06566	2.1
71.01320	1.2
71.04976	11.7
71.15324	0.9
73.02892	11.1
81.02930	1.9
81.03394	47.6
83.01303	1.4
85.02886	78.1
86.09679	2.1
87.04464	4.9
89.06008	5.1
89.67043	1.1
92.09080	2.0
97.02864	97.0
99.04428	40.2
101.02354	4.3
103.03905	2.1
109.02857	83.6
115.03910	4.8
125.79985	1.1
127.03884	100.0
136.06139	1.9
139.03865	9.0
145.04930	24.5
152.05693	1.3
169.04935	2.4
187.05981	33.1
202.13597	1.1
205.07037	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	401.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	65.4
56.33105	9.1
57.07065	20.1
64.56287	9.4
66.40099	11.7
67.05493	52.9
68.76409	11.5
69.07051	84.6
70.06572	18.2
71.08621	16.6
79.05486	43.3
81.07037	89.4
83.08624	21.5
88.07616	27.8
91.05458	52.7
93.07050	50.8
95.04953	17.2
95.08627	51.8
97.10140	43.3
105.07008	100.0
107.08599	57.3
109.06506	23.2
109.10104	43.4
111.11781	13.4
115.05450	12.3
117.07010	17.6
119.08571	89.9
121.10110	21.8
123.11682	23.0
128.06174	17.5
129.06989	24.5
131.08583	65.8
133.10123	85.8
135.11716	14.9
138.05977	11.4
139.49223	11.1
141.06940	10.9
142.07782	34.8
143.08557	52.5
145.10136	63.0
155.08528	23.4
156.09274	20.5
157.10132	64.8
157.85374	13.5
159.11694	12.4
159.94427	11.8
171.11703	20.5
220.12341	13.8
221.13388	12.6
329.41501	11.6
338.34161	21.6
400.37860	15.6
401.38416	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	401.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	65.4
56.33105	9.1
57.07065	20.1
64.56287	9.4
66.40099	11.7
67.05493	52.9
68.76409	11.5
69.07051	84.6
70.06572	18.2
71.08621	16.6
79.05486	43.3
81.07037	89.4
83.08624	21.5
88.07616	27.8
91.05458	52.7
93.07050	50.8
95.04953	17.2
95.08627	51.8
97.10140	43.3
105.07008	100.0
107.08599	57.3
109.06506	23.2
109.10104	43.4
111.11781	13.4
115.05450	12.3
117.07010	17.6
119.08571	89.9
121.10110	21.8
123.11682	23.0
128.06174	17.5
129.06989	24.5
131.08583	65.8
133.10123	85.8
135.11716	14.9
138.05977	11.4
139.49223	11.1
141.06940	10.9
142.07782	34.8
143.08557	52.5
145.10136	63.0
155.08528	23.4
156.09274	20.5
157.10132	64.8
157.85374	13.5
159.11694	12.4
159.94427	11.8
171.11703	20.5
220.12341	13.8
221.13388	12.6
329.41501	11.6
338.34161	21.6
400.37860	15.6
401.38416	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	401.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91413	0.9
53.00294	1.6
55.05508	63.6
57.06815	1.3
57.07071	27.5
67.05494	51.5
69.07059	100.0
71.08609	14.7
79.05489	7.0
81.07043	84.0
83.08607	64.9
85.06529	1.2
85.10158	8.0
85.49233	0.9
92.09003	9.6
93.07022	1.6
95.08588	76.8
97.10152	66.5
105.07066	1.1
109.10143	42.6
111.11709	27.4
114.37758	1.0
115.05015	1.1
118.62364	0.9
123.11675	14.4
125.13268	8.3
131.08588	1.0
137.13214	8.6
139.14799	1.8
148.93637	1.0
151.14795	3.9
187.69127	1.0
242.52242	1.1
268.26846	1.0
328.06009	1.1
347.36676	12.6
365.37497	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	402.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.1
55.05505	1.1
57.03422	2.3
61.02920	5.7
65.03947	1.5
67.05486	1.2
69.03389	1.2
73.02905	1.7
75.85532	1.4
79.76950	1.4
83.01328	1.8
85.02897	2.9
91.05420	1.7
92.09023	7.1
100.11826	1.3
103.05450	8.1
103.38834	1.3
111.00791	1.8
115.05450	1.6
117.07005	2.4
117.11764	1.4
118.04160	2.2
119.03391	7.8
119.04920	2.0
123.04430	1.8
129.06941	1.6
130.04172	1.5
131.04909	35.3
132.05630	1.4
133.06476	2.9
139.03836	5.3
141.07018	10.8
143.03418	5.4
144.05725	2.5
145.02814	1.8
145.06487	5.7
146.03673	2.0
147.04428	3.1
149.05954	1.3
155.07039	1.5
157.02797	6.4
157.06462	7.5
159.04431	5.4
159.08018	2.9
160.05145	1.5
161.05991	15.0
163.04022	1.4
164.89453	1.4
165.05359	1.6
167.06996	3.3
168.05688	1.8
169.06448	17.6
171.04431	5.9
173.05962	8.4
175.03943	5.2
175.07571	2.0
176.04672	7.6
177.05489	6.3
178.06175	1.5
180.07808	12.3
181.04892	3.3
185.05963	5.7
186.06773	7.5
187.03860	18.7
187.07541	9.3
188.04611	2.6
189.01808	1.8
189.05371	17.8
190.06136	4.9
191.07001	40.4
193.08554	5.1
197.05974	15.2
199.03773	2.3
200.04601	5.2
201.05484	2.0
201.09087	7.1
202.06226	2.0
203.03351	5.9
203.07025	2.5
204.04153	28.3
204.07918	2.5
205.04984	2.0
205.08604	2.9
206.05722	2.4
207.06467	2.5
211.07509	1.4
213.05484	3.2
214.06190	6.1
215.06955	17.4
216.04083	3.2
217.04926	10.7
217.08560	2.4
218.05772	5.6
219.06485	25.0
221.08206	1.4
225.05400	3.1
229.08572	10.9
231.02803	1.9
231.06593	9.7
233.08064	5.2
234.05363	2.0
235.05995	2.8
237.07799	1.6
242.05760	3.1
243.06430	14.5
245.04370	16.7
245.08122	7.0
247.09579	15.5
249.07698	2.5
257.08096	14.7
260.06738	37.0
262.04727	8.1
263.05530	2.3
273.07547	6.2
275.09094	100.0
277.07001	18.4
287.05502	12.4
301.07089	9.7
319.08069	29.4
337.04932	2.1
337.09103	62.5
338.05811	1.3
355.09961	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	401.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
53.66475	1.8
55.05502	15.8
57.07062	3.5
57.18485	1.9
67.05490	20.3
67.08980	1.6
69.07049	15.3
70.06565	8.1
71.04967	11.6
75.97155	2.0
79.05471	28.0
81.07024	29.1
81.99313	2.0
83.08630	4.1
88.07616	10.1
91.05456	48.1
92.09144	4.5
93.07032	39.4
95.04940	10.5
95.08582	16.4
102.09158	2.3
103.05441	2.3
105.07014	100.0
107.08562	30.1
107.09056	1.7
109.06500	36.4
109.10142	11.7
115.05440	3.6
117.06996	29.7
119.08556	75.7
121.10135	12.3
121.70975	2.3
126.07300	1.9
128.06194	14.7
129.06972	23.5
130.07768	12.5
131.08542	68.5
131.09447	3.6
132.86923	2.0
133.10103	56.6
135.07986	3.9
135.11674	13.0
137.09569	3.0
141.06999	8.9
142.07747	30.6
143.08528	41.3
144.09386	9.4
145.10110	62.3
147.08083	3.9
147.11655	11.5
149.09636	2.5
153.06961	8.3
155.08531	18.3
156.09364	17.7
157.10103	44.1
158.10841	15.3
159.08011	2.1
159.11671	23.6
165.06989	4.5
166.07758	2.9
167.08548	13.4
168.09296	7.3
169.10066	21.1
170.10886	11.4
171.11685	16.4
171.13828	2.5
172.12485	3.5
173.13223	27.4
175.14795	9.1
178.07755	2.3
179.08551	15.6
180.09308	8.6
181.10153	13.6
182.10863	10.4
183.11662	17.9
184.12395	3.5
185.13231	11.4
187.14835	19.6
192.09352	3.3
193.10060	8.8
194.10905	8.0
195.11739	15.4
196.12395	2.6
197.13260	12.7
199.14835	10.5
206.10861	4.5
207.11702	10.9
208.12679	2.8
209.13217	16.0
219.11674	4.1
221.13216	7.7
231.11844	2.5
237.16338	4.7
239.17899	2.8
248.15607	2.3
249.10326	1.9
261.16278	2.4
265.19470	4.7
269.76968	2.1
329.10397	2.1
338.34052	8.3
339.34561	7.9
346.55060	2.2
400.37778	14.9
401.28284	3.3
401.38177	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	401.253
Annotation	Pumilaside B
Peak:m/z	Relative Intensity
53.03939	4.2
55.01853	1.5
55.05504	18.5
56.14332	0.9
57.03418	4.4
57.07057	7.3
59.04977	1.8
61.02884	1.4
63.49043	1.0
64.33153	0.9
66.93808	1.2
67.05490	12.3
68.90350	0.8
69.03410	9.9
69.07057	17.0
71.04974	25.4
73.02896	2.4
79.05475	24.2
81.03384	5.4
81.07039	100.0
83.04944	4.9
83.08612	9.6
83.62595	0.9
85.02879	18.3
85.06530	10.5
88.94123	0.9
91.05450	13.8
92.08914	1.4
93.07025	52.8
95.04930	4.4
95.08581	40.4
97.02849	6.6
97.06514	1.6
97.10139	8.9
99.08049	5.3
105.03357	1.9
105.07010	32.2
107.08578	82.1
109.02849	2.2
109.06456	5.1
109.10143	27.2
113.09563	1.5
115.03979	1.2
115.05403	1.6
115.58689	1.1
116.04901	1.2
117.06991	2.1
119.08554	46.6
121.10119	17.9
123.04422	1.2
123.08080	1.3
123.11678	21.5
124.03935	2.1
125.09612	19.7
127.03868	2.2
127.11144	10.2
129.06955	1.5
131.08557	7.3
133.10109	30.1
135.11670	95.9
137.09563	2.5
137.13240	5.8
139.11183	1.5
142.07726	1.2
143.08542	1.6
143.10657	32.8
145.10106	7.8
147.07991	1.5
147.11661	18.5
148.90837	1.2
149.13232	9.8
153.12744	1.5
157.10121	2.2
159.11652	9.8
161.05951	1.8
161.09619	1.2
161.13232	11.6
163.14766	4.4
165.12694	1.6
167.07030	1.1
171.11644	1.4
177.16328	1.2
181.04979	1.5
201.16377	1.5
203.17920	32.2
205.19499	4.7
221.18967	25.3
239.20016	1.2
261.14520	1.2
269.07700	1.1
311.19995	1.3
329.21054	1.7
347.22052	1.3
383.14957	1.2
383.24164	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02347	0.2
53.03943	3.1
54.57078	0.2
55.01855	0.3
55.05501	0.5
55.80703	0.2
57.03431	3.9
61.02897	0.4
65.84473	0.2
67.05488	0.4
69.03416	8.7
69.07054	1.6
71.04637	0.3
71.04983	3.3
75.04460	0.4
77.03926	0.3
79.05478	11.4
81.03398	8.8
81.07035	3.4
83.04948	0.3
84.64162	0.2
85.02891	17.0
85.06518	1.4
85.24282	0.2
91.05452	0.9
92.08999	2.2
93.07022	1.4
95.04952	6.0
95.08586	1.7
97.02873	4.4
97.06512	0.3
99.04429	1.7
99.08070	8.5
105.03374	100.0
105.06999	2.0
107.04957	0.5
107.08601	1.6
109.02861	4.4
109.10141	1.4
117.06996	0.3
117.09136	2.3
119.08532	1.3
121.10128	1.3
123.04402	16.0
123.08089	0.3
123.11667	0.3
127.03900	4.7
131.08513	0.3
133.06488	0.2
133.10121	0.9
135.10141	0.9
135.11659	0.4
143.08551	0.4
145.04951	1.2
145.10144	0.8
147.11673	0.3
151.11174	0.3
161.05946	0.3
161.13152	0.3
165.12785	0.4
167.06967	0.5
193.12242	0.3
203.17953	0.3
208.05067	0.3
221.08037	0.4
221.11562	0.2
221.15321	0.5
231.06575	1.1
239.16403	0.4
249.07466	4.3
267.08578	13.6
315.08658	0.3
383.14960	0.3
406.50632	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.9
54.14405	0.9
55.01870	1.6
55.05508	4.3
57.03426	5.5
61.02917	1.2
61.58844	0.8
67.05487	5.2
69.03416	13.8
69.07057	2.1
71.04974	5.1
72.08142	1.8
72.50851	0.9
73.02911	1.3
79.05474	15.2
81.03397	22.1
81.07038	16.9
82.03718	1.1
83.04960	4.6
83.08630	1.1
85.02885	18.0
85.06517	4.8
86.08458	0.9
86.09700	2.6
87.04465	1.0
91.05470	7.9
92.09134	3.9
93.06998	8.7
95.04953	9.0
95.08565	8.7
97.02874	12.3
97.06541	4.2
98.88876	1.1
99.04410	6.0
99.08082	3.8
103.05481	1.1
105.03372	100.0
105.07014	9.9
106.03079	1.2
106.03674	7.2
107.04935	10.3
107.08607	7.8
109.02823	10.7
109.06531	2.2
109.10157	5.1
111.04391	1.1
111.08090	1.3
115.05434	2.1
117.06976	2.3
119.08566	10.3
121.02899	1.5
121.10137	4.8
123.04401	10.6
123.08067	1.6
123.11701	1.9
124.05207	1.1
125.09690	1.0
127.03907	5.7
128.06149	1.1
129.06995	4.6
131.08548	10.3
133.06404	1.3
133.10120	6.8
135.08040	1.5
135.10234	1.6
135.11655	3.7
135.60246	1.1
137.05942	1.2
137.09576	1.3
141.07034	1.8
144.05676	1.9
145.04985	1.8
145.06499	2.3
145.10123	5.8
147.04408	4.0
147.11678	2.2
153.05383	1.0
156.05684	5.4
157.06470	1.5
157.10217	1.8
159.08040	9.5
159.11668	1.1
161.09489	1.6
163.11217	1.4
163.14668	1.2
165.06773	1.3
167.06995	18.8
167.08289	1.9
170.07175	1.5
173.05902	1.1
173.13206	2.0
181.04971	2.3
187.07561	4.7
195.06410	1.2
203.08432	1.3
203.18010	1.7
205.08594	7.8
208.05161	7.7
217.08537	4.9
218.07217	2.0
219.08051	4.9
219.10132	1.3
220.14249	1.2
221.05934	2.0
221.15395	2.4
221.19081	1.1
229.08577	1.4
231.08014	3.8
231.10005	1.3
235.07484	1.9
239.12599	1.2
239.16283	1.7
247.07474	5.4
247.09525	2.9
248.08226	4.2
249.07452	19.7
254.05571	2.5
259.07538	1.4
261.09009	1.5
263.07019	1.4
263.10614	2.1
264.07776	1.8
267.08618	9.2
268.03625	1.5
269.07916	7.4
271.09537	1.3
277.08640	1.9
282.08658	2.4
286.38779	1.1
290.09500	1.7
291.10263	2.2
292.07510	1.1
293.08044	4.4
307.09592	4.1
308.10364	1.7
315.08603	22.5
321.07410	1.6
323.12918	1.8
330.10840	18.2
331.11871	1.3
337.10535	2.5
339.12134	2.2
343.11728	2.0
351.12329	4.9
383.14832	18.6
401.16525	9.5
401.21298	8.1
405.07864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.9
54.14405	0.9
55.01870	1.6
55.05508	4.3
57.03426	5.5
61.02917	1.2
61.58844	0.8
67.05487	5.2
69.03416	13.8
69.07057	2.1
71.04974	5.1
72.08142	1.8
72.50851	0.9
73.02911	1.3
79.05474	15.2
81.03397	22.1
81.07038	16.9
82.03718	1.1
83.04960	4.6
83.08630	1.1
85.02885	18.0
85.06517	4.8
86.08458	0.9
86.09700	2.6
87.04465	1.0
91.05470	7.9
92.09134	3.9
93.06998	8.7
95.04953	9.0
95.08565	8.7
97.02874	12.3
97.06541	4.2
98.88876	1.1
99.04410	6.0
99.08082	3.8
103.05481	1.1
105.03372	100.0
105.07014	9.9
106.03079	1.2
106.03674	7.2
107.04935	10.3
107.08607	7.8
109.02823	10.7
109.06531	2.2
109.10157	5.1
111.04391	1.1
111.08090	1.3
115.05434	2.1
117.06976	2.3
119.08566	10.3
121.02899	1.5
121.10137	4.8
123.04401	10.6
123.08067	1.6
123.11701	1.9
124.05207	1.1
125.09690	1.0
127.03907	5.7
128.06149	1.1
129.06995	4.6
131.08548	10.3
133.06404	1.3
133.10120	6.8
135.08040	1.5
135.10234	1.6
135.11655	3.7
135.60246	1.1
137.05942	1.2
137.09576	1.3
141.07034	1.8
144.05676	1.9
145.04985	1.8
145.06499	2.3
145.10123	5.8
147.04408	4.0
147.11678	2.2
153.05383	1.0
156.05684	5.4
157.06470	1.5
157.10217	1.8
159.08040	9.5
159.11668	1.1
161.09489	1.6
163.11217	1.4
163.14668	1.2
165.06773	1.3
167.06995	18.8
167.08289	1.9
170.07175	1.5
173.05902	1.1
173.13206	2.0
181.04971	2.3
187.07561	4.7
195.06410	1.2
203.08432	1.3
203.18010	1.7
205.08594	7.8
208.05161	7.7
217.08537	4.9
218.07217	2.0
219.08051	4.9
219.10132	1.3
220.14249	1.2
221.05934	2.0
221.15395	2.4
221.19081	1.1
229.08577	1.4
231.08014	3.8
231.10005	1.3
235.07484	1.9
239.12599	1.2
239.16283	1.7
247.07474	5.4
247.09525	2.9
248.08226	4.2
249.07452	19.7
254.05571	2.5
259.07538	1.4
261.09009	1.5
263.07019	1.4
263.10614	2.1
264.07776	1.8
267.08618	9.2
268.03625	1.5
269.07916	7.4
271.09537	1.3
277.08640	1.9
282.08658	2.4
286.38779	1.1
290.09500	1.7
291.10263	2.2
292.07510	1.1
293.08044	4.4
307.09592	4.1
308.10364	1.7
315.08603	22.5
321.07410	1.6
323.12918	1.8
330.10840	18.2
331.11871	1.3
337.10535	2.5
339.12134	2.2
343.11728	2.0
351.12329	4.9
383.14832	18.6
401.16525	9.5
401.21298	8.1
405.07864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22826	0.4
50.36755	0.4
51.43650	0.3
52.35536	0.4
53.03937	4.9
55.01834	0.7
55.05504	0.4
57.03413	2.3
58.55653	0.4
59.04971	0.4
61.02916	0.5
63.65040	0.4
63.96647	0.4
69.03117	0.5
69.03417	8.1
69.07069	0.5
71.04984	4.8
73.02892	5.1
77.03937	0.6
79.05479	6.8
81.03401	17.4
81.07038	1.0
85.02885	10.0
86.09679	1.0
91.05489	0.6
93.07032	0.6
95.04947	8.3
95.08595	0.7
97.02877	8.9
99.04435	18.4
105.03373	100.0
105.04521	2.6
105.06993	0.8
106.03712	2.8
107.08569	0.9
109.02859	8.7
109.10104	0.5
112.25310	0.5
117.05480	6.7
121.10091	0.4
123.04414	9.0
127.03882	5.7
133.10091	0.8
141.07074	0.5
145.04904	0.8
156.05658	0.5
167.06996	0.7
217.08569	0.5
219.08055	0.8
236.08191	0.5
247.07407	0.8
248.08298	0.8
249.07471	12.6
250.07785	0.6
267.08557	5.8
277.08356	0.6
307.09543	0.6
383.14777	3.5
402.02011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12648	1.1
53.03931	2.6
55.01843	1.3
55.05490	7.5
55.70957	1.4
57.03428	1.8
63.14374	1.1
67.05482	1.8
69.03413	11.2
69.07039	2.3
69.87988	1.2
71.04952	3.2
73.06562	1.6
79.05470	23.6
81.03405	10.3
81.07029	11.9
83.04971	10.0
83.08591	1.4
83.57882	1.3
85.02901	11.1
85.06510	2.0
89.90958	1.5
91.05463	11.3
93.07030	3.3
95.04928	8.3
95.08568	2.9
97.02858	7.6
99.04411	10.8
101.05978	1.7
103.05428	1.5
105.03372	47.3
105.06980	8.4
106.03685	14.9
107.04937	30.7
107.08549	3.1
109.02869	5.3
109.10148	2.1
109.44003	1.4
113.63485	1.6
115.05416	5.6
116.06203	2.7
117.03372	2.4
117.06985	3.4
119.08532	3.0
121.06469	2.0
121.10076	7.5
123.04384	8.9
124.05162	8.6
125.05988	2.3
127.03904	3.1
128.06181	5.8
129.06958	12.3
131.08531	16.7
132.05650	1.7
133.10022	1.9
134.23718	1.5
134.50313	1.3
137.05940	2.0
139.11163	18.2
141.06955	8.1
144.05699	10.7
145.02823	7.6
145.06458	7.6
145.10049	1.7
147.04395	1.8
149.02258	5.9
149.05933	2.0
150.32393	1.6
152.04639	3.2
153.05383	2.4
156.05679	21.5
157.06464	6.7
159.08003	25.2
161.05936	2.3
165.06931	2.3
167.06992	51.0
169.06407	2.5
170.07207	2.2
172.05136	3.3
173.05922	5.1
174.06802	2.2
177.05420	10.5
178.07755	1.7
179.08516	1.5
181.06464	1.9
182.07222	2.3
184.05176	2.0
185.05904	1.8
186.06735	7.9
187.07478	9.5
189.05373	1.7
189.06894	1.9
190.06216	2.1
190.07742	6.7
191.08525	9.2
192.01765	1.5
192.09305	2.7
193.06416	1.9
195.08086	2.8
200.08330	2.9
201.09001	2.8
202.06096	2.5
202.07751	8.4
203.08568	5.5
203.14243	1.3
204.07631	1.9
205.06575	2.6
205.08578	10.5
207.06372	2.6
207.08130	1.8
208.05151	32.8
208.08551	5.3
209.05867	2.0
210.06740	2.8
211.07506	2.8
214.06213	1.6
215.08435	2.6
216.09529	1.4
217.08562	20.0
218.07220	13.9
219.08022	27.5
220.08820	10.3
221.05991	10.9
221.15404	2.2
229.08549	11.1
230.07153	2.7
231.08092	13.6
231.10072	2.4
232.08789	3.3
233.05905	6.1
233.09534	9.3
234.06656	3.5
234.10480	2.0
235.07423	7.6
235.11095	2.8
236.04642	8.5
236.08292	10.3
237.09068	2.0
238.06108	2.1
239.06937	1.7
240.04076	1.7
241.08545	2.2
245.09607	2.3
246.06752	3.5
247.07452	31.4
247.09659	11.4
248.08282	25.1
249.05344	7.0
249.09242	2.5
251.10556	2.9
254.05632	12.8
255.06406	2.2
257.04437	1.8
259.07449	6.5
260.08206	3.6
261.05365	3.0
261.09030	7.9
262.06039	2.8
262.09814	7.6
263.06897	8.2
263.10608	11.8
264.07800	21.9
265.08450	13.3
266.05786	2.4
267.06265	12.2
268.03644	3.6
269.08017	39.7
271.09567	6.7
272.06592	6.5
275.06940	11.1
276.07675	15.0
277.08383	11.3
278.05682	3.1
279.10144	12.9
280.10724	1.8
281.08029	6.4
282.05212	6.2
282.08755	18.2
283.09531	2.0
285.07367	1.9
287.09152	1.9
289.08578	1.9
290.09271	8.2
291.06818	2.3
291.10059	20.0
292.07285	13.5
292.10480	2.1
293.07962	22.0
294.08517	2.0
296.10297	3.1
299.09070	2.7
300.06253	5.7
301.07114	2.3
303.06381	2.2
305.07974	5.8
305.11508	2.9
306.08649	2.2
307.09589	17.9
308.10388	11.6
309.07632	3.3
310.08255	11.7
311.12521	2.7
315.08563	94.3
316.08911	2.0
318.08688	2.0
319.09647	8.6
321.07523	7.0
321.10953	2.9
322.08344	5.0
323.09204	2.3
323.12662	13.0
325.10690	3.0
327.08383	1.9
328.09219	7.0
330.10919	70.8
331.11670	6.7
336.09988	3.0
337.10538	12.4
338.07492	1.7
339.12100	12.1
343.11691	14.3
350.11386	2.9
351.12140	18.3
353.10123	14.9
368.12598	14.2
369.13062	2.0
371.14758	3.4
383.14801	100.0
401.15860	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	1.0
52.17968	0.4
53.03937	2.7
55.01859	0.8
55.05503	0.7
57.03420	1.6
57.07051	0.4
67.05479	1.7
69.03414	9.5
69.07043	0.7
71.04971	2.2
73.02898	1.3
78.03432	26.0
79.04195	0.5
79.05470	4.0
80.05011	3.9
81.02928	0.8
81.03398	20.7
81.07040	5.3
83.08582	0.4
85.02882	10.0
85.06564	2.5
89.03887	1.8
91.05455	1.4
92.08859	2.3
93.07019	3.2
95.04959	0.7
95.08565	3.7
96.04469	7.2
97.02860	6.0
97.06519	0.6
99.04411	4.2
99.08064	0.5
100.09306	0.4
103.56703	0.3
105.03359	0.7
105.07015	2.3
106.02895	100.0
107.04924	2.4
107.08549	2.9
109.02854	12.0
109.10146	1.6
109.69909	0.3
116.04957	59.5
117.06979	0.4
119.08554	2.1
121.10107	1.8
123.11687	1.4
124.03928	96.4
125.09576	0.5
127.03875	7.3
133.10107	1.9
135.11670	2.1
138.64995	0.4
145.04942	0.6
145.10110	0.4
147.11661	1.6
149.65436	0.4
156.16016	0.4
158.68134	0.4
203.17902	1.6
221.19000	1.4
250.07034	21.1
268.08096	17.3
295.09158	1.9
365.44632	0.4
400.33539	0.4
401.13330	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.4
55.05506	16.4
56.05022	0.5
57.07070	3.0
58.06596	3.0
60.04504	0.4
67.05486	0.8
68.72003	0.3
69.07056	14.2
70.06580	23.8
71.08623	0.8
72.08144	0.7
74.06052	0.4
80.55533	0.3
81.07030	1.3
83.08613	5.8
83.82771	0.4
84.08175	0.3
86.09673	0.4
88.07613	37.2
92.08984	3.6
93.07043	0.4
95.08580	0.7
97.10145	1.7
102.08501	0.7
102.09164	17.6
108.73903	0.3
132.10187	2.2
146.11693	0.4
150.11275	1.4
154.15887	0.4
189.43909	0.3
210.53275	0.4
273.82477	0.4
294.31570	0.4
338.34097	52.2
382.36670	4.1
400.37778	100.0
401.38333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18361	0.9
53.03930	5.6
55.01850	1.5
55.05499	3.8
57.03147	0.9
57.03429	28.5
57.07065	58.7
59.04979	2.0
61.02921	11.7
69.03414	64.0
69.07037	1.0
71.01314	1.4
71.04992	6.4
71.08604	1.8
73.02895	26.7
78.14693	0.9
79.05467	8.3
81.03398	27.1
81.07043	2.0
83.04959	5.8
85.02888	100.0
85.06527	14.0
87.04452	21.3
91.03935	1.5
91.05470	1.3
92.09138	5.8
93.06997	1.3
95.04948	3.6
95.08575	2.2
97.02867	46.3
99.04433	12.8
101.05981	6.4
103.03893	1.3
103.07564	11.2
105.03374	75.5
105.07021	1.6
107.08514	1.1
109.02850	19.7
109.10121	1.8
111.08071	1.1
115.03900	22.2
116.01035	1.0
116.06302	1.3
116.07063	9.4
117.05454	1.7
119.08501	1.8
121.10094	1.0
123.04355	7.0
127.03895	29.7
131.08524	1.3
133.04936	17.0
133.10089	1.1
134.08128	6.1
145.04936	18.3
145.10225	1.2
152.68430	1.0
159.11610	1.0
161.02979	0.9
163.05931	8.1
166.69609	1.0
223.05850	1.3
229.10648	7.0
231.06500	1.1
247.11716	33.3
249.07497	11.6
259.08102	1.9
267.08621	11.3
268.60214	1.1
277.08932	1.0
347.16870	4.8
383.14450	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34081	1.5
53.03936	3.3
54.81995	1.7
55.01863	20.8
55.05503	25.4
57.03428	21.8
57.07053	3.0
60.46050	1.4
67.05489	90.3
69.03408	6.6
69.07053	24.9
71.04964	10.3
71.08565	2.1
72.99589	1.6
77.76688	1.7
79.05473	45.5
81.03391	9.1
81.07035	92.0
83.04964	19.5
83.08601	8.0
85.06516	11.1
91.05457	82.2
93.07024	40.3
95.04944	17.6
95.08583	23.2
97.06497	8.4
99.04407	2.0
99.08092	1.8
105.07011	69.3
107.04916	7.6
107.08575	62.1
109.06488	11.6
109.10141	100.0
111.08078	2.0
113.42195	1.7
117.06992	10.4
119.08549	16.4
121.06499	3.5
121.10115	8.8
123.08012	3.1
123.11691	13.4
127.07472	2.5
129.05449	2.4
129.06943	3.5
131.08525	14.9
133.06447	3.8
133.10098	85.0
135.08047	3.3
135.11635	2.5
137.09552	2.2
143.08540	2.6
145.10123	3.2
147.07973	1.9
147.11685	2.4
149.09628	7.8
151.11147	38.7
157.10114	1.8
159.11623	2.4
161.09564	3.6
169.12132	3.1
175.11285	1.8
177.09010	1.7
179.10600	1.7
253.14308	77.4
263.19849	2.1
269.13599	3.5
271.15381	20.6
273.18439	14.3
291.19525	10.9
330.55743	1.7
347.21796	3.0
357.13290	1.7
365.23135	49.3
413.59311	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.4
55.01859	2.8
55.05505	5.4
55.61276	0.9
56.96553	1.8
57.03427	27.4
57.07071	10.4
59.05005	1.0
61.02915	36.7
67.05493	2.1
69.03069	2.1
69.03416	42.7
69.07052	2.1
70.06564	5.3
71.04964	7.1
72.08110	2.1
73.02902	43.1
74.06066	5.9
79.05470	3.1
79.75140	1.2
81.03406	25.8
81.07039	8.4
83.04968	5.5
85.02892	100.0
85.06537	2.4
86.09696	2.0
87.04443	2.8
91.03951	6.0
91.05455	5.6
92.09141	3.1
93.07019	3.0
94.07381	1.6
95.04955	9.1
95.08600	4.8
97.02869	77.9
98.97552	1.4
99.04428	11.0
103.03944	1.6
105.03380	46.7
105.07047	4.3
106.02924	1.5
106.03690	5.0
106.07366	1.3
107.03424	2.6
107.08604	2.7
109.02860	30.7
111.04481	1.6
115.03908	14.5
116.04980	10.8
116.07086	5.6
117.05454	5.3
119.08624	2.6
120.08054	2.1
121.10128	2.6
123.11616	1.2
124.03974	1.5
127.03895	47.6
127.59743	1.1
131.08559	1.9
133.04936	7.0
133.10216	1.6
134.08122	3.1
137.53630	1.3
145.04945	46.6
145.10028	2.3
147.08153	1.3
149.13219	1.4
151.03886	1.5
158.09666	1.5
161.04451	2.5
163.06024	12.4
163.07373	1.6
202.12259	5.3
215.02216	1.6
219.07990	1.5
220.04295	1.5
220.13341	5.4
221.05771	1.5
232.79141	1.1
233.06487	13.7
238.11021	1.7
247.11758	2.6
251.07591	2.2
251.14847	4.9
259.07910	1.8
264.02121	1.3
295.10184	1.9
306.41568	1.3
310.94571	1.2
382.18777	1.7
400.19907	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	400.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01859	1.4
55.05497	2.0
57.03431	25.5
57.07071	2.5
58.06602	1.2
59.04996	5.0
60.04515	1.3
61.02911	4.9
65.39177	1.1
69.03418	79.0
69.07027	1.1
70.06574	1.1
71.04975	2.4
71.08624	1.1
73.02902	5.2
74.13124	1.1
75.04471	4.4
78.81155	0.9
79.05442	1.3
79.50912	0.9
81.03391	11.6
81.07035	4.6
83.04957	1.2
85.02892	100.0
85.06527	1.7
87.04453	46.3
88.07601	11.2
91.03939	1.2
91.05476	2.0
92.08942	5.4
95.04957	1.3
97.02875	56.1
97.03501	2.0
99.04419	2.6
103.03918	1.3
105.03382	28.8
105.07032	2.0
106.02927	2.0
106.03770	1.4
109.02877	6.7
109.06494	2.0
109.10133	1.6
111.21847	1.0
115.03917	49.8
121.10145	1.8
123.08067	1.5
124.03907	3.8
124.04787	1.1
127.03874	16.2
133.04945	46.0
133.05930	1.8
133.10072	1.6
134.08107	8.7
145.04944	22.2
149.13281	1.4
150.07611	1.9
163.05957	9.4
169.04935	1.0
177.05368	1.8
185.49150	1.0
187.06123	1.2
247.11731	1.2
251.14874	1.9
259.08173	2.0
295.10001	1.6
411.18494	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	400.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47110	0.2
50.55347	0.2
50.78011	0.2
53.00293	0.4
53.03938	3.1
55.01858	0.4
55.05498	1.4
56.05848	0.3
57.03425	0.6
57.07069	0.3
60.23664	0.3
61.02914	0.4
61.14819	0.2
65.03905	0.3
67.05496	1.3
68.05801	0.3
69.03414	3.1
69.07050	1.2
71.04983	1.3
73.02892	0.3
74.51496	0.2
79.05476	20.3
81.03410	2.7
81.07040	100.0
82.07372	0.6
83.04971	1.1
85.02891	6.5
85.06504	0.4
87.04429	0.4
90.53769	0.3
91.05440	2.0
92.09056	0.3
93.07027	2.9
95.04944	3.2
95.08595	2.5
95.84770	0.3
96.08902	0.3
97.02887	2.6
97.06482	0.5
99.04432	0.7
99.08073	5.0
101.06002	0.4
105.03374	21.8
105.07008	3.6
106.07313	0.5
107.04932	0.4
107.08584	3.1
108.08858	0.3
108.27908	0.2
109.02889	2.0
109.06489	1.2
109.10159	1.3
111.07986	0.3
117.07042	1.0
119.08525	2.4
120.08884	0.3
121.10129	1.0
123.04391	3.8
123.08056	0.3
125.09580	0.4
127.03951	2.1
129.06908	0.3
131.04907	2.1
131.08571	1.9
133.10085	0.6
135.08060	0.6
135.11684	1.4
137.06013	0.5
141.06955	0.3
143.08493	0.3
145.04912	0.3
145.10066	2.4
146.10495	0.4
147.11682	0.6
157.10129	0.3
159.11667	0.6
160.12141	0.3
161.13174	0.7
167.06978	1.2
174.13474	0.4
201.16380	0.4
203.10585	2.4
219.17435	0.4
249.07584	2.3
267.08652	4.7
292.53006	0.3
315.08646	0.4
330.10931	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21935	0.2
51.02365	0.3
51.03139	0.2
53.03929	3.2
55.01853	0.3
55.05495	1.3
57.03426	0.4
57.07055	0.3
59.94091	0.2
61.02913	0.3
63.82867	0.3
67.05486	1.4
69.03412	8.2
69.07047	0.3
70.06566	1.6
71.04982	1.8
71.27691	0.2
72.08125	1.2
73.02876	0.2
77.03896	0.5
79.05472	6.1
80.63483	0.2
81.02927	0.5
81.03393	13.1
81.07027	3.3
82.07362	0.3
83.04956	1.3
85.02883	11.3
87.04477	0.3
91.05457	1.4
92.09192	1.2
93.07026	2.5
94.07372	0.3
95.04950	6.0
95.08597	1.8
97.02857	8.4
97.06487	0.4
99.04436	2.8
105.03368	100.0
105.06993	2.8
106.07346	0.3
107.08559	1.8
109.02856	8.1
109.06479	0.4
109.10150	1.6
110.10485	0.4
111.04440	0.4
111.08085	0.3
117.07005	0.9
119.04916	0.5
119.08555	1.2
121.10107	1.5
122.10449	0.3
123.04400	10.3
127.03887	5.3
131.08527	1.6
132.08788	0.3
133.10121	1.2
135.11668	0.3
135.28896	0.3
136.12012	0.3
145.04936	1.3
145.10051	2.5
147.04375	1.7
147.11603	0.3
149.13228	0.3
157.10135	0.3
159.11662	1.4
163.11134	0.4
173.13232	2.1
175.14711	0.3
179.39923	0.2
184.18517	0.2
185.13315	0.3
187.14844	0.3
201.16351	0.9
203.14264	2.2
219.17404	1.7
220.17720	0.5
231.06552	0.6
239.91437	0.2
249.05576	0.3
249.07509	15.4
267.08554	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	400.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.4
53.03936	10.4
54.25560	0.3
55.01864	12.8
55.05501	1.1
57.03430	8.3
60.04509	0.8
60.51585	0.4
61.02912	7.0
68.99776	4.4
69.03412	38.2
71.04975	6.7
73.02896	10.6
74.97692	0.4
77.78260	0.4
80.04997	0.8
81.03396	38.3
81.07056	0.8
83.01328	0.6
84.04448	0.5
85.02885	100.0
87.00809	47.9
87.04439	0.7
91.03912	3.6
92.08839	0.9
95.08572	0.5
97.02866	39.8
97.61913	0.5
99.03957	0.5
99.04430	19.2
103.03893	1.9
105.01846	26.9
105.03372	2.6
107.04952	2.2
108.04447	7.4
109.02856	34.3
109.10213	0.4
115.03883	1.1
117.01829	6.5
119.08578	0.6
126.05495	3.1
127.03885	55.8
129.01817	5.4
131.04892	0.7
135.08031	0.7
145.04930	28.3
145.10095	0.6
147.02902	3.6
159.02849	22.8
177.03995	0.8
189.03935	2.8
201.09132	1.2
201.80144	0.5
201.84146	0.5
213.03943	2.1
230.06654	2.2
231.04947	13.2
240.58031	0.5
243.10143	1.0
248.07608	3.0
249.05922	0.7
406.79343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
52.01759	0.3
53.03933	5.9
55.01850	0.6
55.05489	1.7
57.03416	1.5
61.02905	0.3
61.03221	0.3
61.91711	0.3
67.05501	0.8
69.03411	5.4
69.07046	0.5
69.28074	0.3
71.04958	1.4
71.13538	0.3
73.02909	0.5
74.09685	0.4
77.03910	0.6
79.05466	5.5
79.98935	0.3
81.02928	0.7
81.03394	18.4
81.07030	1.6
83.04983	0.5
85.02887	4.8
85.92264	0.3
91.05452	1.3
92.08990	1.2
92.34205	0.4
93.07010	1.9
95.04397	0.5
95.04955	8.5
95.08580	2.1
97.02872	9.1
99.04420	2.6
103.03950	1.3
103.05455	1.5
105.03370	100.0
105.07019	1.6
106.03744	0.4
107.04942	0.4
107.08554	1.3
109.02856	8.5
109.06478	0.8
109.10163	0.8
116.04971	2.2
119.08543	0.8
121.10118	1.3
123.04386	5.2
123.08044	0.5
127.03889	5.0
130.06522	4.6
133.10139	0.7
135.07979	0.4
135.11708	0.6
140.28755	0.3
145.04932	0.8
145.10092	1.8
146.10576	0.4
147.04381	0.4
158.05978	20.9
165.04922	0.4
176.07059	1.7
201.06485	0.4
201.16356	0.7
218.30141	0.3
219.17313	0.3
237.02991	0.4
245.50224	0.4
249.07512	14.4
267.08435	2.6
346.22653	0.3
400.13730	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22450	1.1
53.03923	6.0
53.62698	1.0
55.01860	2.0
55.05507	13.7
57.03427	12.5
57.07072	1.8
59.04974	2.6
61.02916	2.0
67.05495	10.3
69.03415	68.1
69.07052	5.6
71.01360	1.3
71.04972	18.9
73.02897	1.5
79.05460	6.8
81.03399	48.9
81.07044	23.2
82.06683	1.8
83.01330	3.1
83.04960	7.6
85.02890	84.1
85.06525	3.1
87.00810	45.6
87.04446	5.3
91.05458	13.9
92.08942	7.1
93.07018	23.3
94.07354	2.3
95.04990	3.3
95.05547	1.5
95.08583	12.2
95.60457	1.5
97.02870	100.0
97.06532	1.8
99.04433	30.7
105.01858	18.6
105.03375	29.8
105.07028	20.6
106.07343	2.5
107.08590	20.7
108.94456	1.4
109.02874	17.1
109.06494	1.9
109.10133	16.1
110.10491	1.6
111.08054	1.4
114.07804	1.7
115.03918	1.6
115.05389	1.4
117.06985	5.4
119.08559	15.0
120.08895	2.3
121.10118	24.2
122.10449	3.3
123.04409	2.8
123.08006	2.2
125.09601	7.9
127.03890	75.8
127.11167	2.4
130.07755	1.7
131.08492	10.0
133.10106	13.7
134.10413	2.0
135.08057	1.6
135.11674	5.8
136.12004	1.6
137.09549	1.3
139.47241	1.5
142.07733	1.5
143.08521	2.7
143.10603	2.4
145.04944	41.4
145.10129	14.3
146.10512	2.5
147.11665	7.0
149.13252	5.2
157.10143	2.7
159.11627	8.7
161.13196	6.9
163.11111	2.3
173.13202	1.7
175.14784	2.3
197.01561	1.3
201.16350	6.2
203.10773	1.7
219.17345	3.4
220.17741	2.7
231.04936	34.9
237.18254	1.9
249.05969	7.4
267.08618	2.3
398.91907	1.5
401.99756	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	26.4
56.44896	1.9
57.07068	12.0
57.58742	1.9
57.92343	1.8
60.56906	1.9
67.04966	2.2
67.05493	24.4
69.07059	37.3
71.04982	2.9
71.08614	5.1
79.04249	1.9
79.05485	11.1
81.07034	34.6
83.08608	28.0
84.45739	2.4
93.07032	4.8
95.08594	41.0
97.10149	15.5
107.08559	5.0
109.10114	25.4
111.11676	3.1
121.10102	4.6
123.11711	9.1
135.11668	3.7
149.02271	2.9
149.13286	3.0
243.94531	2.3
252.32275	2.2
275.82550	2.4
345.34732	2.7
363.36032	13.6
399.30801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57906	1.0
55.05507	58.8
57.03430	2.3
57.07070	17.8
67.05492	48.7
69.07056	75.3
71.04967	5.6
71.08614	7.4
72.46866	1.3
74.57417	1.2
79.05484	12.7
80.61243	1.3
81.07040	75.5
83.08602	70.1
84.74385	1.2
85.06514	2.3
85.10165	1.9
91.05464	1.3
92.08656	1.5
92.09171	2.8
93.07022	11.5
95.08585	100.0
97.10152	42.3
107.08595	10.5
109.10141	53.4
111.11700	12.7
121.10132	8.8
121.57500	1.3
123.11697	17.8
125.13264	2.2
132.69786	1.3
133.10120	1.4
135.11649	13.2
137.13263	8.9
149.13214	9.1
151.14809	6.3
165.16292	2.0
166.22435	1.5
176.57811	1.5
177.16444	1.7
188.24005	1.3
244.61630	1.4
272.94052	1.6
345.35117	16.1
363.36108	22.2
381.37201	2.0
399.30923	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10814	0.3
51.02372	0.3
53.03943	5.2
55.01867	0.5
55.05492	0.4
57.03426	1.3
67.05479	0.6
69.03415	7.0
69.07040	0.5
71.04970	1.3
79.05467	5.8
81.03399	18.7
81.07032	1.8
83.04970	0.7
85.02421	0.4
85.02886	7.1
91.05463	1.6
91.20772	0.4
92.09006	2.6
93.07001	1.5
95.04939	9.8
95.08581	1.8
96.08952	0.3
97.02860	9.1
97.76655	0.3
99.04436	1.9
103.03912	0.7
103.05450	1.9
105.03372	100.0
105.04523	2.9
105.07008	2.3
107.04971	0.4
107.08587	1.5
109.02863	8.4
109.06523	0.5
109.10146	0.6
116.04953	2.1
117.06979	0.4
119.08544	0.7
121.06471	0.4
121.10095	1.4
122.59089	0.3
123.04391	5.4
123.08037	0.6
127.03898	4.8
130.06488	4.4
133.10109	0.6
134.05956	0.4
144.08118	0.4
145.05014	0.5
145.10103	0.6
158.05984	19.0
159.11687	0.4
167.72536	0.4
176.07060	1.8
201.16348	0.4
203.14314	0.4
238.33607	0.4
242.08324	0.5
249.07509	17.3
258.52228	0.4
267.08572	2.3
284.76031	0.4
294.01068	0.3
400.13922	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.5
55.05504	20.0
55.68512	1.4
57.03410	5.7
57.07066	5.6
59.04973	1.7
61.02914	2.5
62.85443	1.3
65.03925	1.4
67.05489	25.0
69.03403	15.1
69.07062	14.4
71.04976	27.4
79.05472	30.7
79.71978	1.3
81.03393	5.9
81.07039	69.5
83.05013	9.7
83.05450	1.4
83.08601	5.7
85.02885	30.4
85.06526	8.8
91.05462	30.8
92.08801	3.1
93.07022	48.6
94.78242	1.3
95.04948	7.5
95.08589	31.2
97.02884	10.6
97.06499	8.5
99.04467	2.3
99.08068	6.9
103.05450	1.8
105.03357	5.5
105.07013	100.0
107.04957	2.1
107.08577	47.9
109.02853	2.0
109.06501	7.1
109.10144	33.6
111.08054	5.2
115.05385	1.5
117.06971	10.9
119.08563	41.8
121.06484	5.5
121.10108	27.9
123.08038	2.9
123.11685	8.5
125.09610	24.9
126.23494	1.4
127.03889	2.3
127.07560	2.3
127.11169	2.7
129.06953	3.1
130.07748	1.9
131.04810	1.9
131.08553	22.8
133.10107	77.9
135.08029	3.1
135.11620	11.6
137.09578	2.4
143.08530	2.8
143.10664	13.3
145.10118	29.4
147.08075	1.6
147.11671	29.5
149.13240	5.6
151.11224	2.1
157.10089	6.3
159.07930	1.6
159.11638	19.3
161.13228	7.9
163.11124	7.6
171.11609	2.3
173.13211	5.6
201.12833	1.5
201.16335	17.2
203.17857	2.6
219.17415	24.1
237.18416	5.4
399.19659	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	399.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
53.95112	1.4
55.01845	3.0
55.05491	12.2
55.99345	1.4
56.72543	1.6
57.03418	9.8
57.07058	3.1
59.04991	3.8
61.02903	3.9
67.05485	30.0
69.03412	22.8
69.07061	14.6
70.06593	2.0
71.04955	11.9
73.02895	1.5
75.04440	4.1
75.66576	1.8
79.05480	21.2
81.03384	7.2
81.07035	69.0
83.04960	12.7
83.08585	3.4
85.02890	37.5
85.06541	3.1
86.09667	1.9
87.00808	2.2
87.04450	1.9
91.05447	28.2
91.50356	1.8
93.07014	50.7
95.04942	10.0
95.08585	62.5
97.02856	12.4
97.06509	14.6
99.04448	2.2
103.05425	2.3
105.01871	3.3
105.03357	16.5
105.07008	65.7
107.08574	100.0
109.02863	3.9
109.06495	2.7
109.10139	45.0
111.08063	8.4
116.06204	1.9
117.07004	12.9
119.04933	9.4
119.08549	60.9
121.06469	1.8
121.10091	28.0
123.08071	3.3
123.11703	7.6
125.09599	57.5
125.22025	2.0
127.03883	9.2
127.11197	3.7
129.06966	2.4
130.07761	9.4
131.08551	27.0
133.10103	14.2
135.11649	25.3
140.95992	1.9
143.08507	2.6
144.09297	2.2
145.04947	2.2
145.10095	92.6
147.04422	20.8
147.11703	11.1
149.13228	7.7
151.11189	2.9
159.11670	44.5
161.13257	23.9
163.11047	2.8
163.14737	2.4
173.13196	18.2
191.17860	3.6
201.16357	45.6
209.17999	1.9
219.17366	39.7
237.18408	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	399.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	2.1
53.03938	4.2
54.81930	2.1
55.01870	3.2
55.05504	21.0
57.03430	5.0
57.07072	2.3
58.55537	1.7
59.04988	7.8
59.43963	1.8
60.06684	1.8
61.02900	4.1
65.03915	3.0
67.05494	32.2
67.39635	1.7
69.03411	24.4
69.07048	22.1
71.04995	7.3
73.02898	2.3
74.15482	2.0
79.05473	36.5
81.03403	3.4
81.07038	96.1
83.04969	33.8
83.08610	4.0
85.02889	46.6
85.06537	3.0
87.04448	3.6
91.05460	41.9
92.08974	1.9
93.07022	100.0
95.04934	21.6
95.08583	72.2
97.02860	20.6
97.06516	10.5
101.79580	2.1
105.07017	90.4
107.08577	99.0
109.02851	7.8
109.06523	9.0
109.10145	34.9
111.08068	8.5
117.06991	16.1
119.08568	54.2
121.05577	1.9
121.06443	3.2
121.10118	59.1
123.08083	3.9
123.11687	11.1
125.09627	3.9
127.03925	12.6
129.07010	3.2
130.07750	9.2
131.08540	37.5
133.10104	28.8
135.07994	2.4
135.11687	14.5
137.09557	2.1
143.08502	4.0
144.09326	8.3
145.04921	7.2
145.10101	91.0
147.11703	16.1
149.13228	16.8
151.11195	16.9
157.10103	4.0
159.11678	54.8
161.13213	29.9
163.11168	2.6
163.14772	3.0
167.14273	3.8
171.11676	2.6
173.13216	12.5
175.14735	2.8
191.17996	3.5
201.16354	43.8
203.17886	3.7
219.17403	17.5
231.08736	2.5
237.18544	3.9
354.39279	2.4
370.63367	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	399.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	0.7
53.03938	2.6
55.01847	0.9
55.05504	0.6
56.96544	0.6
57.03173	1.1
57.03426	18.6
57.07067	100.0
57.18280	0.5
58.42242	0.6
59.04986	0.8
61.02906	3.4
61.94750	0.6
67.05473	0.6
69.03415	35.6
70.06580	1.0
71.01334	1.4
71.04969	12.2
72.05310	1.4
73.02894	3.0
73.06491	0.7
75.04459	0.6
79.05463	0.8
81.02932	1.0
81.03393	20.8
81.07035	1.4
85.02890	39.2
85.06527	17.1
87.04440	1.4
88.51570	0.6
91.05457	3.3
92.09024	2.9
93.07024	0.8
95.04941	0.7
95.08566	0.8
97.02873	15.4
98.97569	1.6
99.04436	10.1
103.07556	17.0
104.95806	0.8
105.03369	1.1
105.07004	1.5
107.04958	1.4
107.08562	0.9
109.02875	11.4
109.06514	0.8
111.04391	0.7
113.03477	0.7
113.65397	0.7
114.38100	0.7
116.98585	1.4
117.05453	4.3
119.08648	0.6
124.03946	1.1
125.05936	0.6
125.09530	0.6
127.03870	18.8
131.07014	0.9
135.06499	5.5
135.91190	0.7
139.27989	0.6
145.04947	5.4
146.99525	0.9
153.07545	7.2
167.07048	1.0
196.10393	0.7
197.46002	0.6
211.09608	1.2
219.01790	0.8
229.10695	11.1
237.02724	1.6
247.11722	31.2
363.16467	1.0
399.12375	1.4
399.71399	2.4
400.15833	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.1
55.01864	11.3
55.05497	5.4
57.03429	8.3
59.12544	0.8
61.02913	9.9
67.05488	6.5
68.99763	4.1
69.03416	44.8
69.07037	4.5
71.04973	13.9
73.02891	12.6
79.05476	16.1
79.89787	1.1
81.03398	38.2
81.07030	22.4
83.04961	2.3
85.02888	100.0
85.06531	1.7
87.00314	1.9
87.00806	33.0
87.04455	2.0
88.54251	0.9
91.03925	4.0
91.05439	11.5
93.07021	13.8
95.04913	7.0
95.08582	9.0
97.02865	51.4
97.06493	1.8
99.04435	21.1
99.08086	2.2
105.01862	24.0
105.03371	86.9
105.07002	20.9
107.04949	1.4
107.08568	14.0
109.02854	31.0
109.06507	1.6
109.10154	7.7
115.03917	1.6
116.04957	27.1
117.01030	1.3
117.01850	6.2
117.06952	1.6
119.08560	10.3
121.10053	7.2
123.04391	15.7
123.11666	1.6
125.09591	2.0
127.03889	62.6
129.01791	4.1
131.08545	5.9
133.10133	15.9
135.11694	1.5
143.08615	1.1
143.10692	1.4
145.04938	28.6
145.10110	8.5
147.02888	1.7
147.11662	7.5
149.09549	1.8
151.11227	1.7
153.69476	1.1
158.06004	1.5
159.02844	22.9
159.11662	6.5
163.11159	1.1
169.12143	1.2
173.13252	1.3
184.20271	1.1
201.16394	6.7
213.03917	1.3
219.17432	6.5
231.04887	16.4
237.18488	1.3
248.93358	1.2
267.08563	10.8
335.70227	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.3
53.61281	0.7
55.01868	12.8
55.05503	4.8
57.03430	9.1
57.07068	1.1
61.02910	8.3
67.05490	3.9
67.88055	0.8
68.99783	2.0
69.03416	41.0
69.07058	2.2
71.01377	0.9
71.04978	15.0
71.86520	0.8
73.02903	13.6
79.05485	5.3
81.03406	42.8
81.07047	21.6
81.07491	1.8
83.01349	1.0
83.04975	3.9
83.08607	1.0
85.02892	100.0
85.06522	4.2
87.00817	36.4
87.04449	1.5
89.03950	1.0
91.03951	2.3
91.05463	14.3
92.09055	4.8
93.07040	9.0
95.04942	1.6
95.08570	7.8
97.02869	48.9
97.06525	1.2
99.04429	19.9
99.08061	2.1
101.06006	1.8
103.03954	0.9
103.99336	0.8
105.01858	25.3
105.03365	13.2
105.07021	15.8
107.04955	1.4
107.08615	7.1
109.02868	34.0
109.06537	1.6
109.10140	5.5
115.03942	1.3
116.04964	30.7
117.01829	8.3
117.07005	1.7
119.08566	10.5
121.10102	6.4
123.04392	1.0
123.08061	1.5
123.11678	2.2
125.09591	2.2
127.03898	66.5
127.07555	1.2
127.11177	1.2
127.38726	0.9
129.01831	5.4
131.08530	4.6
133.10115	14.9
135.11679	1.9
137.09596	1.7
143.10744	1.0
145.04936	33.8
145.10124	7.9
147.02888	2.1
147.11731	5.1
149.59398	0.9
151.11201	1.0
157.10060	1.0
158.06059	1.1
159.02864	25.1
159.11684	6.7
161.13214	3.7
173.13147	1.0
183.15575	1.0
201.16364	4.6
208.82500	0.9
212.49570	0.9
213.03896	2.0
217.63353	1.0
219.17412	4.9
231.04961	16.9
237.18433	1.3
267.08664	0.9
283.84988	0.9
352.02213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	7.7
55.05482	4.4
56.05018	11.1
57.03423	18.1
61.02907	11.3
67.56781	4.0
69.03416	49.2
70.06571	40.7
72.08150	9.2
73.02890	6.9
74.06059	5.1
81.03410	11.0
84.04470	9.5
84.08118	9.4
85.02892	86.4
87.04469	18.1
92.08978	7.4
97.02870	89.7
101.00834	19.8
102.05514	21.9
103.00667	6.2
104.07087	4.8
106.57293	4.7
110.07165	5.2
116.07075	48.2
119.01899	71.5
120.01955	10.2
121.01634	45.7
127.03894	27.7
130.08614	7.8
131.01854	6.5
133.01685	6.7
136.06151	71.2
137.02960	5.7
143.01872	10.7
145.01665	8.3
145.03435	32.5
145.04903	9.6
147.03209	10.6
155.01849	7.0
157.03464	60.8
158.03564	7.3
159.03198	9.2
161.02916	27.3
162.03084	9.6
163.02731	19.3
163.04471	6.3
169.03334	5.4
173.02954	11.0
175.02689	6.7
175.04483	29.2
185.02895	7.6
193.06306	6.2
195.01207	6.8
203.03987	8.0
205.05370	15.3
213.02321	5.4
221.04977	6.8
223.04636	9.0
223.06592	100.0
224.06863	6.5
225.06413	19.2
231.03641	4.6
235.06332	29.8
237.02483	8.8
240.13152	4.9
241.07645	32.5
245.05069	8.8
250.09258	37.8
255.03401	6.1
265.07632	40.8
266.07687	5.8
273.08063	5.2
277.07507	5.4
279.05472	5.0
279.09207	9.3
304.55649	4.6
339.05402	19.5
357.06393	10.8
381.12418	10.6
399.06418	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	398.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	4.3
53.03925	1.2
55.01858	3.2
55.05492	5.1
57.03425	5.5
59.04972	1.5
61.02910	5.1
64.33878	0.6
65.65564	0.6
67.05482	8.0
69.03411	9.2
69.07037	5.2
70.06585	3.0
71.04969	69.1
73.02902	1.6
73.06519	1.0
73.71445	0.7
74.09677	1.1
79.05040	1.4
79.05470	19.5
81.03392	5.5
81.07027	18.2
81.51840	0.7
83.04950	6.4
83.08588	1.0
85.02882	25.1
85.06525	7.2
85.38605	0.8
87.04426	1.4
89.06002	4.5
90.91331	0.8
91.03906	0.8
91.05454	6.9
93.07021	21.6
95.04945	4.6
95.08572	17.7
97.02865	12.6
97.06493	12.3
98.97549	0.9
99.04421	5.9
99.08051	6.4
101.05977	3.7
103.05516	0.8
105.06995	11.9
106.02908	0.8
107.04946	1.4
107.08569	14.5
109.02861	3.4
109.06477	4.7
109.10114	3.6
111.08060	4.9
113.05979	5.2
115.03925	0.8
115.07571	0.8
115.94609	0.8
117.05530	1.2
119.08517	7.2
121.10069	6.8
123.08041	13.1
123.11674	1.6
124.03896	1.7
125.05972	1.4
125.09583	1.6
127.03876	6.5
127.07543	1.9
129.05504	1.2
131.07137	3.4
132.08095	3.2
137.09569	6.5
137.13237	1.6
139.07542	1.0
139.11252	0.9
141.09073	8.1
143.07043	1.4
144.08009	1.5
145.04915	3.4
147.11687	12.9
153.09062	1.4
154.06488	1.2
155.06924	1.0
155.10638	3.3
159.06747	22.6
160.07497	7.4
165.09081	4.3
165.12700	55.1
170.05978	6.1
171.10107	1.9
172.07527	54.8
183.10114	5.2
183.13770	24.0
187.09599	1.5
188.07018	100.0
189.07367	1.1
196.94162	0.8
200.07042	24.4
201.11171	10.4
201.14780	1.4
205.17879	0.9
218.08064	31.7
219.12231	5.3
236.09108	74.4
237.09157	1.3
315.66763	0.8
345.15213	1.2
398.14310	15.0
400.68298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83476	0.9
53.00292	5.6
53.03927	2.7
53.60280	0.9
55.01863	2.8
55.05496	7.6
57.03413	2.7
59.04984	1.7
61.02895	4.5
64.84441	0.9
67.05492	8.4
67.50555	1.1
69.03421	14.9
69.07035	5.9
70.06579	1.3
71.04976	100.0
72.08180	1.2
73.02901	2.8
73.06544	1.5
79.05476	34.2
81.03395	7.9
81.07037	26.8
83.04958	7.5
83.08604	1.9
85.02888	33.5
85.06511	8.6
87.04426	2.5
89.05517	1.6
89.06017	25.3
91.03926	1.3
91.05479	8.6
92.09172	2.0
93.07029	26.4
94.67306	1.1
95.04943	5.4
95.08575	20.2
97.02868	21.1
97.06507	15.5
99.04420	8.4
99.08061	7.3
105.07011	19.0
106.02883	1.9
107.08585	16.4
109.02853	9.6
109.06493	5.3
109.10126	4.0
111.08057	4.8
113.05965	6.4
115.07552	1.1
117.04666	1.1
117.05558	1.4
118.73235	1.1
119.08577	7.8
121.06415	1.4
121.10113	9.1
123.08009	12.7
123.11672	2.6
124.03907	4.0
125.05897	1.6
125.09609	1.9
127.03880	8.0
127.07505	4.9
129.05461	2.0
131.07010	4.3
135.06512	1.6
135.08029	1.8
137.09586	5.3
137.13245	4.4
139.07513	1.3
139.11189	1.2
141.09064	9.7
145.04924	5.9
147.11667	17.6
153.08987	1.1
155.10651	4.5
157.08572	1.4
159.06767	12.1
160.07556	2.3
165.09071	2.7
165.12717	85.3
172.07533	28.1
174.31392	1.5
183.10129	6.1
183.13776	31.9
185.47003	1.2
188.07036	65.0
193.38786	1.2
200.07033	10.7
201.11136	10.3
201.15086	1.2
218.08060	14.5
219.12260	6.1
236.09132	36.6
261.09650	1.6
268.07925	1.3
279.11032	1.3
322.69287	1.1
336.83347	1.4
345.15350	2.0
398.14368	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.8
55.01867	3.3
55.05493	2.8
55.09440	1.3
57.03426	39.2
59.04988	6.6
59.10790	1.5
61.02909	9.2
67.05483	2.9
69.03416	85.3
69.07056	36.5
70.11182	1.2
71.04968	3.3
73.02898	23.7
75.04450	2.4
75.83076	1.7
81.03395	7.9
81.07022	3.5
83.04951	2.5
85.02889	100.0
85.06529	2.4
87.04451	37.5
91.03915	2.1
91.51103	1.3
92.09142	7.9
93.07033	3.2
95.08588	2.2
97.02867	67.9
97.06522	2.8
99.04441	6.5
105.03371	3.3
105.07008	2.2
109.02859	6.3
111.08087	7.8
115.03905	53.0
115.04742	1.9
119.10654	1.6
123.00923	1.5
123.04447	1.9
124.03970	1.8
127.03895	16.0
133.04938	43.7
135.07899	2.0
145.04947	20.9
150.07610	2.8
163.05997	11.4
167.06992	21.9
183.13774	2.1
195.09946	1.7
201.11227	1.5
201.14786	1.6
219.12349	1.9
259.08145	3.5
277.09177	2.0
295.10242	6.6
323.75192	1.7
329.61374	1.7
362.63876	1.8
398.21579	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.8
55.01861	8.4
55.05489	2.3
57.03436	9.5
57.07067	10.9
59.04990	49.5
61.02900	8.1
67.05477	2.2
68.99789	1.4
69.03415	46.0
69.07035	3.6
70.26656	0.9
71.04957	6.1
73.02908	9.6
77.67428	1.1
79.05473	1.8
81.03397	23.6
81.07030	7.6
83.08617	1.2
85.02888	100.0
87.00809	56.3
91.03923	1.3
91.05446	1.8
92.08865	1.2
93.07026	4.3
95.04892	1.3
95.08579	5.2
97.02261	1.7
97.02869	37.5
99.04434	11.7
105.01843	41.9
105.03362	5.8
105.06996	4.8
107.08606	2.1
109.02863	25.7
109.10142	1.8
111.33398	1.0
115.11164	6.9
117.01840	4.2
119.08543	2.2
121.10155	2.1
127.03889	51.2
129.01782	2.2
131.08588	2.2
132.06511	1.8
133.10115	1.3
133.12259	7.1
134.04607	4.7
135.07997	1.1
143.08479	1.1
145.04922	16.8
149.22163	1.0
152.05621	1.5
157.10074	1.0
159.02884	10.6
159.11707	1.6
163.61407	1.0
165.02254	1.9
182.04929	64.4
189.03911	1.0
213.03954	1.7
217.15863	1.5
218.16031	1.3
231.05005	11.6
231.07027	4.0
248.09624	6.2
249.06006	2.3
266.10654	31.5
340.49969	1.1
398.14786	11.3
400.88971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95264	0.9
53.03918	1.7
55.01853	5.1
55.05499	2.2
57.03424	53.5
59.04982	4.6
60.04514	1.2
61.02911	16.0
67.05481	1.6
69.03414	62.5
69.07056	26.6
71.01331	2.4
71.04961	5.6
73.02896	72.7
74.06056	1.1
74.87971	1.0
79.05474	1.9
81.03400	8.7
81.07037	10.0
83.04945	2.1
83.08598	2.0
85.02885	100.0
85.06516	2.2
87.04441	24.2
91.03936	2.2
91.05468	2.5
92.08700	2.4
92.09241	3.8
93.07006	7.3
95.04929	2.4
95.08569	6.5
97.02863	64.2
97.06490	2.8
99.04417	6.4
103.03896	1.2
105.07010	2.1
107.08566	2.1
109.02845	8.3
109.06487	2.3
111.08047	6.7
115.03147	2.1
115.03911	44.3
117.15086	1.3
119.08558	2.3
121.06486	1.4
121.10078	1.3
123.08061	1.4
124.03893	1.9
125.09557	1.5
127.03873	20.9
127.60435	1.1
133.04935	24.2
137.09619	1.7
145.04932	28.7
149.09586	1.5
150.07594	5.2
151.07462	1.1
153.09117	4.9
163.05981	19.8
165.09084	2.2
167.06982	6.1
183.10060	2.5
195.10114	4.8
213.11165	5.6
215.79137	1.2
219.12396	1.5
231.12180	1.4
241.07004	2.2
249.94702	1.2
259.08035	5.7
277.08777	1.6
288.74225	1.1
295.10089	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	398.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81013	0.6
50.93332	0.6
53.00286	0.9
53.03922	0.9
53.20425	0.7
55.01862	1.7
55.05510	1.0
55.41579	0.7
57.03429	41.2
59.04997	0.9
60.04507	0.9
61.02915	14.9
69.03418	40.1
69.07054	53.1
71.01337	4.3
71.04978	1.9
73.02901	75.3
81.03417	6.1
81.07027	1.9
85.02890	100.0
87.04456	5.3
91.03934	5.2
92.08763	1.3
92.09247	1.0
93.07020	1.2
97.02871	57.0
97.06501	0.9
99.04446	4.6
103.03925	1.8
105.07021	1.1
108.56857	1.0
109.02871	8.8
111.08074	1.8
115.03909	31.7
125.09614	1.0
127.03884	24.3
133.04936	10.4
145.04939	31.3
150.07613	0.9
163.05978	22.4
212.76096	1.0
213.11281	1.2
223.06039	1.8
231.12228	3.4
241.07040	5.2
259.08093	7.0
295.10175	11.7
415.70776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01560	0.5
53.03943	5.4
55.01867	9.1
57.03426	6.1
57.07077	1.0
61.02918	6.7
67.01868	1.3
68.99775	3.8
69.03416	37.5
71.04973	5.3
73.02905	8.3
77.71008	0.7
81.03398	26.6
82.75008	0.8
85.02891	100.0
87.00812	50.6
87.04454	0.7
91.03934	0.8
91.05460	1.3
92.08644	1.8
92.09261	4.0
92.18955	0.7
97.02872	29.0
99.04432	14.9
103.03902	1.0
105.01848	40.6
108.04461	3.2
109.02871	26.2
117.01852	3.7
119.04937	3.6
120.05246	1.4
127.03889	51.9
128.04233	0.8
129.01830	4.5
129.04228	0.9
135.37929	0.7
145.04947	17.0
147.02908	1.6
147.04411	9.7
148.04727	10.8
149.04996	3.8
150.05209	1.3
159.02837	12.2
189.03923	1.4
213.03801	1.3
231.04932	11.9
233.59889	0.9
243.95235	0.7
249.06068	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	397.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82420	7.1
55.05503	41.4
55.33369	4.4
56.13879	4.8
57.07065	12.9
59.04279	5.0
64.03236	5.1
67.05489	61.9
69.07047	62.2
71.08599	8.4
75.25071	5.1
79.05467	12.2
81.07037	91.6
81.28548	5.7
83.08604	40.3
92.08851	23.0
93.07024	23.2
95.08586	100.0
97.10155	33.9
107.08599	8.6
109.10146	51.1
111.08035	6.6
111.11716	8.7
114.22674	6.5
116.91788	6.3
119.08568	7.0
119.11176	6.1
121.10123	6.8
123.11691	8.9
135.11650	11.0
154.22960	5.4
180.17868	5.6
222.39662	5.6
232.23531	5.9
279.26788	13.6
343.33246	17.6
361.34448	10.7
379.35617	48.6
416.58337	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	395.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	20.6
57.07069	28.3
57.37237	2.9
58.08557	2.8
58.69026	2.9
60.11954	3.0
61.71622	3.2
66.34413	2.9
67.05491	36.9
67.26300	3.2
69.07057	44.3
71.08606	16.8
79.05470	21.5
80.17738	3.0
81.07037	100.0
83.08607	6.0
85.10151	8.2
89.06005	19.6
91.05461	36.8
92.08623	7.1
92.09206	15.9
93.07012	29.7
95.08591	63.6
97.10146	6.9
105.07013	52.2
107.08596	32.0
109.10152	22.9
111.11700	7.9
117.06995	22.6
119.08591	23.4
121.10095	6.7
123.11689	12.7
125.36324	3.2
131.08569	32.1
133.10117	40.9
135.11633	5.8
143.08549	13.6
145.10114	59.1
147.11684	24.1
149.13263	5.4
151.73331	3.4
157.10103	15.5
159.11717	42.2
161.13242	5.8
173.13232	4.6
178.47751	3.2
185.13185	4.4
195.12286	7.3
197.13359	3.9
199.14842	6.4
213.16396	5.2
275.27252	4.0
280.72717	3.9
288.00327	3.7
313.23651	3.5
395.36719	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72287	0.4
53.03930	6.4
53.61069	0.4
55.01863	0.6
55.05480	0.4
57.03426	4.0
59.04967	0.5
59.92686	0.4
60.71960	0.4
61.02887	0.9
64.27612	0.4
67.05505	0.5
68.39963	0.4
69.03413	23.0
69.07041	0.5
71.04974	3.3
72.07571	0.4
72.08112	0.4
73.02908	0.5
79.05466	0.7
81.03398	25.6
81.07047	0.7
83.04953	0.9
84.08131	0.5
85.02889	31.3
85.06529	0.5
92.08961	2.1
93.07025	2.0
95.01301	59.5
95.04951	2.2
97.02862	18.3
97.06538	0.7
99.04417	4.9
102.48376	0.5
102.76385	0.5
109.02145	1.0
109.02859	20.9
110.07153	0.5
111.08050	0.6
113.02345	100.0
121.06491	0.6
123.08035	0.5
125.05938	0.4
127.03886	19.2
134.85060	0.5
135.07027	0.4
135.08028	1.7
139.07565	0.7
141.05440	0.8
144.06514	0.5
145.04944	1.9
167.07057	0.5
177.05232	0.6
181.08543	1.0
199.09596	2.1
217.10754	0.7
221.04492	3.5
239.05447	18.5
257.06500	23.5
363.47000	0.5
415.21631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91567	0.2
53.03936	1.4
55.01855	0.5
55.05505	15.4
56.05030	0.5
57.03421	1.1
57.05807	1.7
57.07048	0.2
64.76623	0.2
66.79527	0.2
67.05506	2.0
68.10130	0.2
69.03423	2.8
69.07053	6.3
70.06574	0.6
71.04975	1.2
72.08138	100.0
73.02879	0.2
73.08469	0.2
79.05499	0.8
81.03400	2.1
81.07036	2.4
83.04964	1.0
84.08127	0.6
85.02888	4.3
85.06526	1.0
86.09692	1.3
87.00820	1.2
91.05506	0.7
93.07024	1.8
95.04943	1.1
95.08583	2.3
97.02836	2.0
97.06505	1.0
99.04443	1.4
103.70629	0.2
105.01865	0.5
105.03368	2.1
105.07032	1.0
107.08598	1.6
109.02853	3.1
109.06493	0.4
109.10139	1.9
111.08052	0.4
111.11700	1.0
116.04951	6.2
116.05683	0.3
118.08662	1.3
119.08569	1.4
120.08080	1.5
121.06488	0.3
121.10142	1.3
125.09658	0.3
127.03878	2.5
129.12730	1.2
133.10121	0.5
135.08096	0.3
135.11691	0.4
136.07481	0.4
139.11151	0.4
145.04991	0.4
145.10086	0.3
147.04350	0.2
161.13220	0.4
179.14246	0.4
197.15375	0.4
198.15689	0.3
202.12257	0.4
206.55185	0.3
215.14307	0.3
226.10670	0.3
231.05011	0.3
244.11745	4.3
262.12811	1.7
269.45792	0.3
278.17020	0.3
316.93613	0.3
323.25870	0.4
395.13162	2.4
395.18143	6.6
398.43689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02544	0.3
55.05502	3.3
55.63048	0.4
57.03425	0.4
57.99849	0.4
67.05482	0.8
69.03422	0.7
69.07044	2.4
71.05006	0.6
72.08140	23.7
79.05483	0.5
81.03390	0.6
81.07022	2.6
83.04991	0.4
85.02896	2.0
85.06527	2.4
91.05456	0.7
93.07035	0.9
95.08546	2.9
97.02847	1.7
97.06515	0.6
105.03358	1.5
105.07027	0.9
107.08562	1.7
109.02841	0.5
109.06549	0.5
109.10147	2.5
111.11786	0.6
116.04970	1.0
119.08601	0.6
120.05859	0.4
123.08052	0.7
123.11633	0.5
127.03912	0.5
128.03154	0.4
129.06999	0.4
129.12766	0.4
133.10114	1.0
135.11647	0.5
145.78036	0.4
150.24049	0.4
151.11140	0.9
152.11490	0.5
161.13269	0.9
179.14310	0.9
197.15373	0.6
215.12639	1.3
215.16313	0.7
244.11850	0.4
262.12750	0.6
395.13052	100.0
396.13321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01850	0.4
55.05489	1.9
57.03416	0.8
57.07071	0.4
60.67574	0.4
67.05489	3.1
69.03395	1.7
69.07041	2.4
71.04964	2.4
71.37550	0.4
72.08132	1.9
79.05460	0.9
81.03384	0.9
81.07034	4.8
83.04942	1.8
85.02888	3.1
85.06524	4.6
86.03271	0.5
91.05449	1.9
92.43349	0.4
93.07031	2.9
95.04935	2.4
95.06085	0.6
95.08572	3.7
97.02857	2.0
99.04439	0.9
101.06018	0.6
105.03372	6.3
105.07000	2.8
107.08588	3.1
109.02885	0.5
109.06518	0.6
109.10140	2.4
111.04403	1.7
111.08018	1.0
113.05991	0.4
113.07104	1.9
119.08580	2.0
121.10124	2.2
123.08051	1.7
123.11713	0.5
124.03886	0.7
125.05947	0.7
125.09620	0.6
127.03880	1.8
131.08517	0.5
133.10104	1.6
135.11699	0.4
139.07520	0.7
151.11188	0.7
159.11687	0.7
161.13197	1.7
179.10545	0.6
179.14261	2.3
180.11043	0.4
197.11736	1.8
197.15331	2.7
241.79590	0.4
271.34650	0.5
299.33304	0.5
395.13040	100.0
396.13440	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1306
Annotation	SB 242084
Peak:m/z	Relative Intensity
53.03937	0.5
53.96163	0.5
55.05504	3.9
67.05502	0.5
69.03396	0.8
69.07051	2.3
71.04965	0.9
72.08138	18.0
81.03385	0.7
81.07027	3.1
85.02876	1.2
85.06536	1.1
93.07006	0.9
95.04947	0.7
95.08573	2.8
97.02841	0.8
97.06480	0.6
105.07019	1.0
107.08562	0.9
109.02964	0.5
109.10151	0.6
112.57779	0.5
116.04918	1.1
119.08558	1.1
127.03880	1.1
133.10124	0.8
161.13234	1.1
179.14476	0.6
197.15439	1.1
215.12639	0.7
267.04565	0.6
347.09152	0.6
395.13022	100.0
396.13620	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42570	0.5
53.03933	0.6
55.05508	9.5
57.03410	3.1
57.07053	1.2
61.02906	1.0
67.05499	11.3
69.03412	1.6
69.06773	0.6
69.07055	10.6
71.04973	4.7
79.05467	5.1
81.07038	25.8
83.04974	1.7
83.08607	5.9
85.02888	6.7
85.06515	6.5
90.64281	0.7
91.05457	8.6
93.07022	12.8
95.04961	0.8
95.08584	36.5
97.02886	0.9
97.06514	8.1
97.10119	1.5
99.08068	3.1
105.07020	12.6
107.08593	6.7
108.05412	0.7
108.08941	0.7
109.06493	1.0
109.10142	5.3
111.08048	0.9
113.09598	1.0
117.35705	0.6
119.08566	19.7
120.08034	0.9
121.10100	7.2
123.08021	1.4
123.11674	3.1
127.03906	0.8
133.10092	13.5
135.11649	8.5
137.09601	3.7
137.13240	7.8
151.11133	1.3
161.13219	28.1
179.10690	1.1
179.14265	23.9
194.77698	0.7
197.11737	0.7
197.15305	9.4
197.19080	1.1
203.05125	5.4
215.16394	22.4
247.02527	0.8
378.52719	0.8
395.13040	100.0
395.20331	7.8
396.12659	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.8
53.56863	0.6
54.81565	0.8
55.05499	13.9
57.03428	8.6
57.07054	1.9
61.02912	1.6
66.79230	0.6
67.05489	14.9
67.90797	0.7
69.03415	11.6
69.07054	19.0
71.04971	5.8
73.02900	1.0
79.05469	11.3
81.03394	17.6
81.07038	46.5
82.51942	0.6
83.04954	6.5
83.08607	13.3
85.02892	20.8
85.06524	3.8
91.05458	15.8
92.08709	3.5
92.09332	1.7
93.07021	19.1
95.04953	5.9
95.08581	65.4
96.08948	0.9
97.02875	10.2
97.06510	7.6
97.10130	6.9
99.04446	1.5
99.08080	1.2
101.05983	0.7
105.03371	78.5
105.07004	17.2
106.03692	1.5
107.04892	0.8
107.08556	12.0
109.02857	8.9
109.06514	3.0
109.10148	12.1
111.08046	1.6
113.06015	1.4
113.09623	0.8
115.07531	0.8
119.04903	1.3
119.08549	40.2
121.10114	11.1
123.04417	4.4
123.08066	7.2
123.11694	4.2
127.03868	6.0
127.07520	1.4
133.09166	1.6
133.10101	23.9
135.11661	23.1
137.09610	5.7
137.13232	25.6
139.11128	1.0
141.09064	1.5
144.74527	0.7
145.04872	1.1
145.10098	0.8
147.04425	5.8
148.04698	6.4
151.11076	1.6
161.13223	87.3
165.09091	0.8
167.65730	0.7
179.14273	100.0
197.15335	54.3
215.12874	2.8
215.16382	30.0
249.07500	16.7
267.08676	5.5
309.13550	1.0
394.19537	1.2
395.20288	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	394.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
54.65695	0.6
55.01863	3.4
55.05504	14.9
57.03424	6.2
57.07054	1.1
59.04975	0.6
64.33439	0.7
67.05487	15.0
69.03418	9.0
69.07045	17.6
71.04968	6.0
75.14133	0.8
79.05460	9.9
81.03384	10.1
81.07034	49.3
81.32896	0.8
83.04968	7.4
83.08601	11.7
85.02882	19.7
85.06521	5.0
91.05441	16.1
92.08875	3.3
93.07019	20.2
95.04943	4.3
95.08580	76.5
96.08920	0.7
97.02877	9.4
97.06502	7.1
97.10149	9.2
98.06612	0.8
99.04424	3.6
99.08072	3.1
101.05942	0.9
105.03368	45.4
105.07004	21.2
107.08576	12.9
109.02846	5.0
109.06507	5.0
109.10154	10.3
111.08073	1.6
111.25547	1.0
113.09622	1.5
115.07579	1.3
119.04928	1.0
119.08553	45.6
121.10116	15.7
123.04417	1.6
123.08046	7.7
123.11679	3.3
127.03892	4.2
127.07509	1.3
128.44193	0.8
133.10098	23.9
135.11659	27.1
137.09578	6.5
137.13222	27.3
137.14230	1.5
141.09102	1.4
145.04948	0.9
147.04373	6.1
148.04758	4.8
151.11203	1.5
151.14761	1.1
161.13213	96.1
165.09137	0.9
177.16374	1.4
179.14262	100.0
195.17365	0.9
197.15320	59.9
215.12907	1.5
215.16376	32.4
249.07518	9.9
267.08524	3.8
297.02292	0.8
393.41348	0.8
394.11557	0.9
394.18973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85920	0.1
53.03920	0.1
55.01850	2.3
55.02082	0.2
55.05496	1.4
56.80062	0.1
57.03430	0.5
59.04999	0.1
59.24298	0.1
61.02909	0.3
62.88516	0.1
67.05479	0.7
69.03410	1.4
69.07070	0.2
71.04974	0.6
72.08134	0.7
73.02869	0.2
73.13953	0.1
79.05472	1.3
81.03383	0.5
81.07039	10.3
83.04974	0.2
85.02883	3.2
85.06513	0.5
86.09687	0.9
91.05465	1.1
92.09054	0.3
93.07043	1.1
95.04959	0.7
95.08605	0.3
97.02868	0.8
97.06490	0.5
99.04447	0.7
101.05996	0.2
103.11565	0.1
105.03377	0.7
105.07001	1.5
107.04942	0.8
107.08598	1.0
109.02834	0.2
109.06500	8.2
109.10132	1.8
111.04414	1.0
111.08097	0.5
113.02317	0.1
117.06959	0.3
119.08546	1.6
120.08171	0.1
121.06483	0.8
121.10144	0.2
123.08070	0.2
123.11668	0.5
125.02336	0.3
125.05956	6.4
127.03898	2.7
128.06242	0.2
133.10091	2.9
135.08005	0.3
135.11636	0.3
137.05956	100.0
137.09537	3.5
138.06303	0.6
139.07494	0.2
143.08575	1.2
145.04987	0.2
151.07510	0.3
151.11191	1.0
161.09586	5.8
167.06992	0.2
169.57187	0.1
179.10635	29.2
185.16403	0.2
195.10202	0.2
196.10373	0.5
196.13345	0.2
197.08073	1.2
197.11702	31.4
198.12109	0.2
215.12767	1.2
235.26909	0.1
406.52115	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	394.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15042	0.8
53.03935	7.3
55.01866	10.5
55.05505	13.6
56.65865	0.9
57.03427	8.2
57.07067	1.5
61.02918	10.7
64.39917	1.0
65.26133	1.0
67.05483	10.4
69.03412	44.7
69.07053	77.6
71.04969	9.7
73.02897	6.4
79.05480	4.7
81.03400	27.8
81.06589	2.1
81.07036	30.7
83.01260	1.1
83.04971	4.4
83.08598	7.2
85.02890	100.0
85.06532	7.6
87.00810	43.8
91.03930	1.5
91.05444	7.8
91.21522	1.0
92.08749	4.0
93.07011	13.4
95.04960	4.7
95.08585	33.7
97.02875	29.9
97.06509	6.7
97.10179	2.6
99.04427	14.7
99.08067	5.1
103.03906	1.3
105.01854	24.4
105.06997	12.1
107.08559	8.2
109.02865	25.0
109.06519	1.4
109.10132	4.8
111.04390	1.3
111.08066	9.3
111.11710	10.5
113.09644	1.4
115.03909	2.0
117.01834	2.4
119.08547	17.7
121.06499	1.5
121.10150	5.8
123.08041	4.0
123.11674	2.0
126.05526	1.2
127.03891	36.7
127.11137	1.3
129.01833	1.9
129.12756	6.8
131.08575	1.5
133.10109	10.7
135.08070	1.5
135.11664	8.2
137.09608	4.4
137.13197	8.8
139.07507	2.2
139.11197	1.9
141.12726	2.4
143.08574	1.4
145.04912	11.1
147.02863	1.8
151.11128	1.5
159.02841	12.4
161.09581	2.1
161.13222	27.2
179.10641	2.4
179.14296	20.1
195.13730	2.3
196.27811	1.1
197.15321	13.3
201.12727	2.3
215.16345	2.5
219.13866	5.1
231.04994	4.1
237.14810	6.3
246.11708	1.3
297.16937	6.0
323.14816	12.0
340.78613	1.2
341.15915	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	394.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	0.4
51.03278	0.3
53.03937	0.5
53.79760	0.3
54.81520	0.3
55.01867	0.4
57.03418	0.9
61.02911	2.1
65.03902	0.4
69.03406	3.5
71.04958	0.5
73.02898	0.6
78.39462	0.4
79.05464	2.6
81.03399	1.6
81.07043	1.8
85.02888	14.4
91.03918	0.6
91.05465	10.3
92.08749	0.4
95.04981	0.4
97.02872	4.0
103.05418	0.5
103.81407	0.4
105.03405	0.5
107.04935	1.6
109.02870	1.2
109.06501	10.7
119.04917	21.5
120.45527	0.3
121.35050	0.3
122.03600	2.8
125.14160	0.4
127.03860	0.9
131.04935	0.6
133.02785	3.1
135.04428	0.7
137.05956	100.0
138.06204	0.4
141.11885	0.4
145.04974	0.5
147.04388	46.2
149.06004	0.4
151.07518	2.6
153.05438	1.5
165.05441	9.7
167.06978	0.4
179.06993	25.5
180.08728	0.4
197.08060	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30306	0.2
53.03947	0.5
54.41915	0.2
55.01863	0.6
57.03428	1.3
61.02914	2.2
65.03926	0.3
67.07267	0.2
68.39246	0.3
69.03416	4.3
73.02894	0.3
78.36433	0.2
81.03397	1.5
85.02887	12.8
91.03918	0.4
91.05455	8.5
92.08749	0.3
95.04930	0.4
97.02868	3.7
103.05457	0.5
107.04911	1.0
109.02892	0.6
113.02789	0.3
119.04913	26.0
122.03619	2.3
127.03877	1.6
131.04877	1.1
137.05951	100.0
145.04971	1.0
147.04387	54.5
150.06691	0.2
151.07526	2.5
153.65396	0.3
166.68394	0.3
179.06992	34.0
181.08601	0.4
197.06343	0.5
197.08051	10.5
227.35960	0.3
284.41672	0.3
329.70947	0.3
346.28342	0.3
412.77103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2482
Annotation	Turpinionoside C
Peak:m/z	Relative Intensity
53.03936	1.5
55.01857	2.8
55.05506	34.2
57.03424	3.4
57.07059	7.5
58.50011	1.2
59.04997	3.5
60.76762	1.4
61.28664	1.2
67.05500	13.9
69.03394	5.1
69.07056	80.6
71.04972	9.2
71.08598	1.5
79.05470	8.1
81.03428	1.7
81.07043	32.7
83.04951	8.2
83.08614	13.6
85.02901	16.8
85.06528	30.6
86.09689	1.9
89.57227	1.4
91.05459	6.1
92.08822	2.6
92.09278	1.8
93.07028	16.6
95.04935	2.0
95.08585	58.4
97.02847	8.1
97.06510	6.9
97.10159	20.3
98.26483	1.7
99.08074	25.8
105.03367	2.1
105.06956	2.2
107.08571	35.3
109.10137	19.7
111.08110	2.6
111.11707	7.6
113.09635	7.8
119.04955	6.6
121.10123	46.1
123.08102	1.8
123.11701	10.6
125.09641	7.4
135.11647	26.9
136.11908	1.6
137.13269	21.3
139.11125	11.5
147.04388	23.4
149.02327	3.1
149.13211	6.6
150.02655	3.4
151.03908	3.3
151.14827	2.3
152.09770	1.5
153.12752	10.2
177.16341	68.9
195.17442	32.7
213.18472	100.0
229.04707	1.8
231.11273	6.1
375.23416	6.4
393.18762	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	393.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38002	1.0
51.02370	1.3
53.03926	2.2
55.01863	2.5
55.05509	17.3
56.58332	1.3
57.07060	9.8
65.03913	3.2
67.05483	29.9
69.03401	2.8
69.07059	15.9
79.05054	1.4
79.05470	41.2
81.07038	54.0
83.04960	2.4
83.08601	3.0
85.06487	1.5
91.05455	62.3
91.06001	2.6
92.08692	2.6
92.09191	3.1
93.07021	68.0
95.04948	49.8
95.08588	42.8
97.06513	8.2
103.05438	7.1
105.07009	100.0
106.07302	2.0
107.04909	1.8
107.08573	36.0
109.06492	13.0
109.10135	17.4
115.05437	5.7
116.06228	1.6
116.22953	1.5
117.06989	26.3
117.86970	1.3
119.08554	68.3
119.09398	3.0
120.08907	1.6
121.06490	16.1
121.10133	31.1
123.08046	5.8
123.11711	2.2
128.06201	7.8
129.07004	13.4
130.07736	7.7
131.08551	41.2
132.09210	1.3
133.06520	1.5
133.10110	39.6
134.17696	1.5
135.08031	3.2
135.11658	9.0
141.06953	7.8
142.07758	25.1
143.08551	32.3
144.09244	6.3
145.06412	1.6
145.10101	50.6
146.10521	2.3
147.08055	1.9
147.11662	12.7
149.02376	11.9
149.09613	2.0
150.02667	11.4
151.02902	2.0
153.06970	3.4
154.07816	2.1
155.08531	12.3
156.09315	12.5
157.10081	31.0
158.10767	6.7
159.08017	1.7
159.11652	27.2
160.12395	2.0
161.09563	9.2
161.13171	3.4
165.06960	2.4
167.08578	5.5
168.09178	2.1
169.10060	15.6
170.10822	5.9
171.11696	13.4
172.12213	2.3
173.09547	1.8
173.13237	12.3
175.11081	2.1
175.14835	7.1
179.08481	9.5
180.09261	2.4
181.10010	11.9
182.10806	3.5
183.11697	11.5
184.12233	2.0
185.13257	7.1
187.11220	2.0
187.14822	7.1
193.10027	2.1
194.10844	1.9
195.11691	8.0
196.12451	3.3
197.13266	6.6
199.14767	2.3
201.12880	1.5
201.16342	5.6
206.11008	2.3
207.11674	2.6
208.12273	2.4
209.13243	7.3
210.43445	1.4
211.14900	3.2
219.17450	1.5
221.13216	3.4
223.14798	2.3
235.14754	1.6
239.17957	1.7
253.15736	1.9
265.19345	1.8
267.17859	1.3
375.26718	2.8
393.27777	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.3
55.01854	5.5
55.05502	7.2
55.05719	0.7
57.03423	1.7
57.07055	2.0
61.02913	0.8
64.33919	0.7
65.03886	0.7
67.05146	1.3
67.05490	35.2
69.03397	5.3
69.07046	7.5
71.04971	72.0
72.08130	1.2
73.02853	1.0
77.03883	1.0
79.05470	28.9
81.03391	1.7
81.07034	58.2
83.04948	5.1
83.08604	6.2
85.02881	8.8
85.06523	46.0
87.04449	1.4
90.58237	0.8
91.05457	18.8
92.08956	4.4
93.07018	69.3
95.04929	5.9
95.08579	37.2
97.02838	2.1
97.06499	22.8
99.04410	1.0
99.08049	3.9
101.05979	1.6
105.03364	2.0
105.06997	12.9
107.04905	1.8
107.08570	30.6
109.02843	1.1
109.06474	4.8
109.10133	4.7
111.08055	13.6
113.05962	1.7
117.06982	23.6
119.08534	4.8
121.06486	9.4
121.10094	7.2
123.08036	3.2
125.09592	3.4
127.07458	1.0
131.08537	31.0
133.10095	30.0
135.08035	16.3
135.11665	60.5
137.09561	1.4
137.59450	0.8
139.07500	1.4
141.93790	0.8
147.11664	5.8
149.02332	5.0
149.09560	4.0
149.13220	19.8
150.02666	3.6
151.11127	4.7
153.09096	3.4
159.11658	58.1
165.12698	5.1
167.06967	1.2
175.92117	0.9
177.12708	84.1
195.10915	0.8
195.13754	60.9
213.14810	100.0
214.15169	1.3
231.15843	33.9
370.83612	0.9
397.86078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
53.70495	0.2
55.01850	0.2
55.05496	0.2
58.14120	0.2
59.04956	0.2
67.05473	0.2
68.05013	1.7
69.03413	0.3
70.06562	0.4
70.49762	0.2
72.36637	0.2
73.02889	0.5
74.89371	0.2
79.05460	0.4
81.03409	0.8
81.04524	2.2
81.07012	0.3
85.02898	0.5
85.06509	0.2
89.12054	0.2
91.05426	0.2
92.08740	0.2
92.09236	0.3
93.07018	0.9
95.04942	0.5
95.08556	0.5
96.07602	0.2
97.41340	0.2
105.03365	3.6
106.02931	0.2
107.04923	1.1
107.08587	0.4
108.05236	0.2
109.02870	0.2
109.03979	1.1
109.07619	2.3
109.10123	0.2
111.04424	0.2
121.10124	0.3
124.03960	1.6
124.05062	0.5
125.04243	0.4
125.05968	0.9
127.04051	0.3
127.05008	4.0
127.08649	4.9
130.04939	0.4
135.11766	0.2
137.05957	0.4
140.03366	0.5
147.06534	0.2
149.02313	1.7
149.04570	0.5
150.02600	0.9
151.03889	2.5
160.85693	0.2
166.07205	0.4
172.06047	0.4
177.16374	0.3
189.06401	0.4
189.10085	0.2
197.08118	1.0
201.06424	1.4
202.07199	2.5
203.07990	2.5
204.08757	6.5
214.07243	0.4
215.07980	2.2
216.08768	100.0
217.09511	3.5
218.10341	6.3
225.06415	12.8
226.07146	3.4
227.07974	1.7
228.08795	1.1
229.09566	1.2
230.10304	9.9
240.08745	60.4
241.09595	2.2
242.10176	0.8
244.08261	0.2
246.09807	7.3
258.09842	2.4
268.08218	5.4
272.11343	4.3
273.18436	0.2
283.09280	1.4
300.10837	35.6
301.11139	0.3
311.08667	0.9
315.11899	0.8
333.12991	1.3
343.11411	1.4
354.60101	0.2
361.12451	2.6
375.13922	3.4
393.15057	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
53.35509	0.4
55.01862	0.8
55.05500	3.0
57.03421	0.7
57.07060	0.9
67.05494	7.4
68.05822	0.5
69.03410	2.1
69.07044	2.8
71.04978	4.7
71.08611	0.7
72.05325	0.4
74.04660	0.4
76.00748	0.4
79.05473	4.4
81.03426	0.5
81.07034	14.6
82.07371	2.4
83.04984	0.7
83.08601	0.9
85.02898	3.0
85.06528	3.2
86.09679	0.4
91.05448	3.6
92.05795	0.5
92.08996	2.4
93.07020	10.4
93.07565	0.7
94.07349	2.6
95.04940	0.9
95.08582	10.0
96.08930	1.5
97.02849	1.0
97.06519	3.0
99.08064	1.6
105.07047	1.4
106.10265	0.4
107.04929	2.3
107.08594	5.8
108.08892	0.8
109.02837	0.8
109.06518	0.5
109.10155	5.7
111.08032	1.7
117.07019	1.8
119.04926	4.1
119.08549	0.6
121.06490	0.5
121.10128	3.9
123.11695	0.5
125.09613	0.6
127.03867	2.7
131.08531	1.7
133.10127	1.9
134.10461	0.7
135.08046	1.6
135.11658	9.8
136.11981	3.8
142.75394	0.4
147.04382	14.8
149.02338	6.2
149.13239	3.4
150.02666	3.6
150.13649	0.7
151.02858	0.8
151.18512	0.5
159.11685	4.1
160.12027	2.7
177.09109	0.7
177.12685	4.5
177.16351	2.1
178.13063	2.3
195.13741	6.1
195.17468	2.4
196.14102	3.4
203.05148	0.5
213.14851	6.2
213.18445	5.7
214.15149	3.6
231.19565	0.9
316.47400	0.5
389.28836	0.5
393.18750	100.0
396.01169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94116	0.1
53.03937	0.6
58.07397	0.2
61.88284	0.1
63.32185	0.1
65.03931	0.3
66.68980	0.1
67.01856	6.3
67.05488	0.1
69.03424	0.2
71.04966	1.2
71.08617	0.2
81.03409	1.9
81.07046	0.3
82.02956	0.1
85.02911	0.6
91.05461	8.2
92.09055	0.6
92.88446	0.1
93.07009	0.1
95.04939	0.1
95.08598	0.6
97.02858	0.3
99.04433	1.7
99.08089	0.6
100.24955	0.1
105.03378	0.3
107.08581	0.1
109.02855	2.7
109.10086	0.2
111.08071	0.2
119.04922	29.4
121.10103	0.2
127.03895	11.2
147.04391	100.0
148.04695	0.3
149.02345	1.7
150.02606	1.0
169.04945	1.5
177.16283	0.2
233.36934	0.1
255.06409	0.6
273.07526	4.6
393.11993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62028	0.2
53.03927	0.4
57.07089	0.2
65.03910	0.3
67.01857	5.9
71.04960	1.3
76.32072	0.3
81.03410	2.0
85.02886	0.4
85.06564	0.3
91.05464	8.0
92.09048	1.0
95.08610	0.2
99.04419	1.3
109.02866	2.6
119.04923	29.4
127.03893	10.4
130.82574	0.2
132.28674	0.3
134.16824	0.2
147.04391	100.0
149.02353	1.8
150.02643	0.5
169.04919	1.6
212.29564	0.3
217.40593	0.3
255.06667	0.4
273.07541	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	393.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
54.23589	0.1
55.05504	0.4
57.07061	0.3
60.00870	0.2
64.32914	0.2
65.03915	0.4
67.01859	4.3
69.03423	0.3
69.07043	0.2
69.96179	0.1
70.37766	0.2
71.04964	0.4
71.08601	0.4
79.05457	0.2
81.03404	1.8
81.07037	0.4
83.08606	0.2
85.02872	1.0
85.06537	0.4
91.05464	8.1
92.08772	0.4
93.07049	0.2
95.04938	0.4
95.08585	0.9
97.02872	3.6
97.06465	0.2
99.04445	1.2
105.03345	1.2
105.06983	0.3
106.74632	0.2
107.08595	0.4
109.02869	2.8
109.10156	0.2
119.04920	27.7
121.02872	0.4
121.10101	0.4
127.03889	9.9
135.11716	0.2
147.04388	100.0
148.04767	0.2
149.02345	3.7
150.02660	1.9
150.80670	0.2
152.46024	0.2
169.04935	1.2
177.16342	0.2
230.11720	0.8
231.11987	0.4
255.06471	0.7
273.07498	3.6
393.18613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
54.21470	0.1
54.36469	0.1
55.09014	0.1
57.07063	0.5
65.03926	0.5
65.38395	0.1
67.01851	4.8
67.05475	0.1
69.03414	0.2
71.04969	0.7
71.08624	0.3
75.29755	0.1
81.03406	1.9
85.02888	0.6
89.25163	0.1
91.05458	7.7
97.02859	0.2
99.04426	1.5
102.25329	0.1
105.03336	0.2
109.02863	2.6
110.29626	0.1
119.04915	25.8
121.02851	0.2
125.42924	0.1
127.03888	10.9
131.91753	0.1
138.72008	0.1
145.79761	0.1
147.04384	100.0
148.04698	0.2
149.02327	3.4
150.02623	1.9
150.86427	0.1
151.02769	0.2
165.05331	0.1
169.04935	1.3
213.05476	0.2
227.94933	0.1
255.06396	0.6
273.07480	5.4
325.82748	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	393.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80560	0.1
53.00293	0.2
53.03933	0.3
57.07055	0.7
65.03911	0.9
67.01852	6.4
67.05492	0.2
71.04969	0.6
71.08597	0.7
71.50826	0.1
72.08955	0.2
81.03404	1.9
85.02882	0.3
86.01571	0.2
91.05459	9.3
92.08796	0.5
92.09293	0.3
93.07026	0.2
95.08591	0.2
97.02869	0.2
99.04422	2.1
105.03371	0.3
109.02874	2.9
111.44545	0.2
114.54287	0.2
119.04917	29.4
121.02876	0.3
127.03885	11.6
147.04387	100.0
148.04700	0.3
149.02312	7.7
150.02652	3.7
151.02827	0.9
167.03409	0.3
169.04947	1.6
176.63586	0.2
246.40955	0.2
255.06450	0.8
269.66040	0.2
273.07535	3.8
393.22296	0.2
400.24286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94239	0.2
53.03929	0.3
54.81169	0.3
55.05496	1.3
57.07055	1.2
65.03916	0.5
67.01857	6.2
67.05492	0.5
69.03400	0.6
69.06714	0.4
69.07054	7.7
70.07374	0.6
70.42822	0.2
71.04961	1.3
71.08659	0.2
71.54911	0.2
74.75638	0.2
79.05442	0.4
81.03397	1.9
81.07047	1.9
83.08601	0.5
85.02901	2.3
85.06526	1.1
86.09687	4.0
91.05462	9.6
93.07008	1.7
95.04935	0.3
95.08588	2.7
97.02866	1.1
97.06524	0.6
97.10152	1.1
99.04430	1.3
105.03392	0.3
105.07020	0.3
107.08564	1.9
109.02864	2.9
109.10122	0.9
111.08086	0.4
111.11707	1.8
112.12010	0.3
119.04921	31.5
120.08107	0.5
121.10113	1.9
122.10439	0.3
125.09591	0.4
127.03889	11.7
133.10094	0.3
135.11659	1.6
136.11986	0.3
137.13211	0.5
139.11176	2.0
140.11426	0.4
147.04390	100.0
148.04730	0.4
149.02307	3.4
150.02652	2.0
159.11639	0.3
169.04918	1.0
177.16341	2.7
193.93141	0.2
195.17377	2.8
196.17883	0.3
213.14673	0.3
213.18439	2.9
214.18666	0.8
222.10771	0.3
231.19661	0.3
255.06403	0.5
255.66939	0.2
273.07532	4.0
393.11142	0.3
393.18796	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	393.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81328	0.1
52.90758	0.1
53.03937	0.3
55.12428	0.1
65.03924	0.6
65.77008	0.1
65.86138	0.1
67.01850	4.9
70.53033	0.1
71.04988	0.9
76.56385	0.1
81.03397	1.1
85.02879	0.6
91.05460	8.0
92.08569	0.3
92.09192	0.9
97.02882	0.5
99.04430	1.6
109.02859	2.6
119.04919	28.8
120.17849	0.1
127.03889	10.9
147.04387	100.0
148.04645	0.5
169.04890	1.1
213.05338	0.2
226.04793	0.1
255.06328	0.6
259.31036	0.1
273.07501	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	393.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32520	0.1
53.03941	0.3
53.99277	0.1
54.81317	0.2
65.03918	0.6
67.01853	6.6
71.04974	0.9
81.03405	1.8
85.02891	0.3
91.05460	8.9
92.08739	0.8
92.09376	0.3
97.02874	0.2
99.04426	1.7
109.02866	2.7
119.04919	30.1
119.27411	0.1
127.03893	11.6
147.04388	100.0
148.04767	0.3
149.02359	0.2
157.06519	0.2
169.04886	1.4
250.96722	0.1
255.06396	0.7
259.19730	0.2
267.62958	0.1
273.07526	4.3
281.08572	0.2
335.76636	0.1
397.48889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.1
53.03941	0.2
54.81870	0.1
57.46657	0.1
65.03925	0.4
66.82177	0.1
67.01855	5.8
71.04977	0.8
77.72214	0.1
79.94155	0.1
81.03399	2.0
81.07068	0.1
85.02882	0.5
91.05462	8.1
92.09082	0.2
94.37263	0.1
97.02871	0.2
99.04431	1.4
101.98442	0.1
105.07127	0.1
109.02871	2.6
119.04923	29.2
121.06549	0.1
127.03895	10.6
147.04391	100.0
148.04726	0.5
149.02324	0.6
150.02620	0.2
165.05345	0.1
169.04915	1.3
234.33832	0.1
255.06538	0.7
273.07501	5.4
294.01443	0.1
309.10907	0.1
327.15775	0.1
393.11639	0.1
393.18878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.05495	0.2
57.07061	0.1
62.18977	0.1
65.03625	0.1
65.03934	0.6
67.01851	6.6
69.03413	0.2
71.04977	0.9
71.08600	0.2
79.05457	0.1
81.03400	2.0
85.02883	0.7
88.15335	0.1
91.05457	9.3
92.09003	0.9
95.04933	0.2
95.08607	0.1
97.02885	0.4
97.10125	0.4
99.04434	1.8
105.06992	0.1
107.08675	0.1
109.02866	2.8
112.89708	0.1
119.04915	32.5
122.03179	0.1
127.03886	11.3
133.39665	0.1
141.86705	0.1
147.04382	100.0
148.04771	0.4
149.02324	2.5
150.02660	1.7
151.02789	0.2
165.05307	0.1
167.03320	0.1
169.04915	1.3
175.23024	0.1
255.06395	0.6
273.07495	4.2
322.24948	0.1
382.95810	0.1
393.79230	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	393.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28114	0.1
53.03938	0.4
55.05499	0.1
57.07063	0.2
65.03903	0.7
67.01852	5.3
67.05511	0.1
67.40034	0.1
69.03404	0.1
69.07055	0.6
71.04965	0.9
71.08630	0.1
81.03399	1.5
81.07044	0.6
85.02889	0.6
91.05457	8.5
92.08699	0.2
92.09270	0.3
93.07024	0.2
95.04936	0.1
95.08591	0.4
97.02885	0.4
97.10083	0.1
99.04420	1.5
105.03364	0.1
105.07010	0.2
107.08603	0.1
109.02872	2.8
109.10151	0.2
111.11661	0.1
119.04916	28.3
121.02835	0.1
121.10098	0.3
121.54210	0.1
123.11639	0.2
127.03891	10.3
139.11194	0.1
147.04385	100.0
148.04765	0.2
149.02313	1.9
150.02621	1.1
151.02821	0.1
169.04922	1.1
255.06488	0.7
273.07492	5.0
393.22205	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	393.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42461	0.1
53.03936	0.6
54.21934	0.1
55.05494	0.2
56.48136	0.1
57.07060	0.2
65.03920	0.5
67.01852	4.7
67.05488	0.5
68.99776	0.1
69.03409	0.9
69.07053	0.1
71.04974	0.9
71.08591	0.2
79.05439	0.1
81.03402	2.4
81.07028	0.7
83.04940	0.1
83.08595	0.1
85.02888	0.8
85.06493	0.1
87.00784	0.1
91.05458	8.3
92.08820	0.4
92.09358	0.2
93.07007	0.5
95.04932	0.2
95.08575	0.2
97.02873	1.6
99.04430	1.3
105.01875	0.1
105.03361	0.5
105.06979	0.1
107.08607	0.2
109.02862	2.2
109.10133	0.2
119.04916	29.8
121.10100	0.5
123.11649	0.1
127.03889	9.4
145.24162	0.1
147.04384	100.0
148.04784	0.2
149.02319	2.1
150.02640	1.0
151.02672	0.2
165.74150	0.1
165.75514	0.1
167.07062	0.2
169.04907	1.4
182.92351	0.1
242.22401	0.1
255.06473	0.6
273.07504	4.8
393.18616	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35396	2.1
57.03425	5.8
57.07066	11.0
61.02907	4.0
69.03411	10.4
69.04583	2.1
70.06590	2.6
71.04991	2.8
71.08607	14.2
72.08135	5.7
72.08942	2.6
75.37634	2.1
76.02213	10.3
78.22598	2.3
84.04475	4.2
85.02882	19.6
97.02876	5.7
99.04450	2.5
117.03703	15.6
119.01889	3.5
121.02850	2.7
127.03893	4.2
127.21623	2.7
149.02304	100.0
150.02658	58.8
151.02824	4.3
161.02998	3.3
241.98845	2.3
245.09412	3.4
286.15289	3.0
292.36432	2.6
359.52121	2.7
392.09814	3.3
393.05447	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	393.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01865	0.6
55.05490	1.9
57.03422	0.4
57.07056	1.8
60.54812	0.2
65.03920	0.6
66.01615	0.3
67.01852	5.5
67.05490	2.3
69.03400	1.6
69.07048	1.6
71.04973	3.8
71.16431	0.3
72.08133	1.4
79.05466	1.9
81.03405	3.7
81.07041	3.6
83.04955	0.6
83.08597	0.4
85.02905	2.5
85.06524	2.9
91.04887	0.3
91.05454	10.2
92.05785	0.5
93.07017	3.9
94.07362	0.6
95.04933	1.2
95.08578	3.3
97.02856	1.6
97.06470	0.7
99.04446	2.3
99.08051	0.6
105.03377	5.2
105.07014	2.9
106.07350	1.4
107.04939	0.6
107.07839	0.3
107.08598	2.6
109.02860	4.1
109.06466	0.4
109.10147	1.7
111.08039	1.3
113.48511	0.3
117.06986	0.4
119.04922	30.6
119.08553	2.4
120.08910	1.2
121.10121	2.9
122.10417	0.3
123.04398	0.4
123.11686	0.4
125.09623	0.7
127.02960	0.7
127.03896	16.7
127.11072	0.3
130.08580	0.4
131.08533	1.5
133.10107	3.1
134.10429	2.4
135.10760	0.9
135.11697	1.6
136.11964	0.4
137.09592	0.5
147.04388	100.0
147.11674	0.6
148.11978	0.4
149.02333	6.3
149.13231	0.5
150.02678	3.0
157.10072	0.3
159.11711	0.6
169.04837	1.3
175.11157	0.7
176.11554	0.5
177.12849	0.5
177.16333	0.7
193.12251	0.6
194.12521	0.5
195.13878	1.4
195.17400	0.6
205.00323	0.4
213.18436	1.5
243.08626	3.6
249.07674	0.3
255.06459	0.5
273.07498	4.6
365.20602	0.5
393.11432	17.6
393.18539	4.5
411.37872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01865	0.6
55.05490	1.9
57.03422	0.4
57.07056	1.8
60.54812	0.2
65.03920	0.6
66.01615	0.3
67.01852	5.5
67.05490	2.3
69.03400	1.6
69.07048	1.6
71.04973	3.8
71.16431	0.3
72.08133	1.4
79.05466	1.9
81.03405	3.7
81.07041	3.6
83.04955	0.6
83.08597	0.4
85.02905	2.5
85.06524	2.9
91.04887	0.3
91.05454	10.2
92.05785	0.5
93.07017	3.9
94.07362	0.6
95.04933	1.2
95.08578	3.3
97.02856	1.6
97.06470	0.7
99.04446	2.3
99.08051	0.6
105.03377	5.2
105.07014	2.9
106.07350	1.4
107.04939	0.6
107.07839	0.3
107.08598	2.6
109.02860	4.1
109.06466	0.4
109.10147	1.7
111.08039	1.3
113.48511	0.3
117.06986	0.4
119.04922	30.6
119.08553	2.4
120.08910	1.2
121.10121	2.9
122.10417	0.3
123.04398	0.4
123.11686	0.4
125.09623	0.7
127.02960	0.7
127.03896	16.7
127.11072	0.3
130.08580	0.4
131.08533	1.5
133.10107	3.1
134.10429	2.4
135.10760	0.9
135.11697	1.6
136.11964	0.4
137.09592	0.5
147.04388	100.0
147.11674	0.6
148.11978	0.4
149.02333	6.3
149.13231	0.5
150.02678	3.0
157.10072	0.3
159.11711	0.6
169.04837	1.3
175.11157	0.7
176.11554	0.5
177.12849	0.5
177.16333	0.7
193.12251	0.6
194.12521	0.5
195.13878	1.4
195.17400	0.6
205.00323	0.4
213.18436	1.5
243.08626	3.6
249.07674	0.3
255.06459	0.5
273.07498	4.6
365.20602	0.5
393.11432	17.6
393.18539	4.5
411.37872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44200	0.6
53.05082	0.6
55.01870	1.1
55.05266	1.1
55.05505	16.2
57.03423	3.7
57.06816	0.7
57.07069	16.4
57.55392	0.6
61.02903	1.4
61.85185	0.6
66.15575	0.6
67.01840	5.3
67.05486	5.7
69.03413	5.6
69.07053	100.0
71.04962	2.8
71.08613	2.7
73.02901	0.9
77.52509	0.6
79.05471	5.1
81.03391	3.2
81.07040	13.6
81.75707	0.6
83.04964	3.5
83.08609	9.5
84.83050	0.8
85.02889	17.4
85.06524	2.8
86.09683	10.1
91.03896	0.9
91.05456	9.2
92.08941	2.8
93.07025	12.9
95.04931	0.9
95.08580	19.2
97.02860	3.7
97.06498	7.5
97.10152	15.7
99.04423	1.7
99.11710	4.8
105.03371	0.9
105.06997	1.2
107.08578	15.6
108.04446	6.6
109.02868	4.4
109.10141	6.6
111.08055	6.8
111.11699	31.3
119.04915	25.6
121.02866	1.2
121.10110	18.5
121.11426	0.8
123.11646	1.3
125.09589	10.0
126.05521	3.3
127.03889	11.1
133.10143	1.5
135.08093	0.9
135.11673	20.4
137.13211	9.3
139.11153	30.3
147.04385	89.7
149.02324	23.3
149.03455	1.1
149.13208	3.1
150.02673	6.7
155.14270	1.0
159.11613	0.8
169.04988	0.7
177.12746	3.9
177.16353	25.9
182.08954	0.9
186.19310	0.7
195.13765	5.1
195.17403	36.1
195.19203	1.3
213.05510	3.0
213.15108	7.4
213.18445	43.8
230.08212	1.1
233.79073	0.6
273.07562	3.6
286.64438	0.8
349.53668	0.7
392.13913	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97561	0.4
53.00292	0.6
53.03928	1.1
55.01862	2.6
55.05494	5.1
57.03424	6.7
57.07063	11.0
61.02896	2.4
65.03918	2.4
67.05489	37.1
69.03416	4.1
69.07053	12.7
69.57762	0.6
71.04966	3.2
71.08611	10.8
72.08934	0.5
73.02895	1.2
79.05467	16.0
80.48611	0.4
81.03397	3.9
81.07036	53.4
83.04962	5.5
83.08605	8.5
83.52277	0.6
85.02885	12.5
85.06522	2.3
87.04447	0.7
87.06068	0.5
91.05453	9.5
92.08822	3.0
92.09359	0.9
93.07021	39.7
95.04942	3.1
95.08578	12.3
97.02866	5.6
97.06513	9.1
97.10101	1.1
99.04405	2.3
99.08058	2.4
104.25810	0.5
105.03356	3.4
105.06996	3.0
107.08575	22.5
109.02880	1.3
109.06495	3.9
109.10139	1.3
111.08070	5.3
117.06977	6.4
119.04886	2.7
119.08553	2.6
121.02848	5.4
121.06552	0.6
121.10125	13.6
123.07991	0.5
123.11683	1.2
127.03880	2.5
131.08546	6.3
133.10106	6.6
135.07999	0.9
135.11668	8.6
136.12009	0.7
139.11168	1.0
145.04988	1.1
147.04388	8.6
148.23213	0.5
149.02319	100.0
149.09604	0.7
149.13235	42.5
150.02649	20.6
159.11658	15.8
165.12611	0.8
167.03345	6.1
168.03767	1.2
175.14784	0.7
176.15108	0.7
177.12717	8.4
177.16383	0.7
180.08617	0.9
195.13766	57.7
213.14816	27.3
371.22879	0.6
376.50803	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81479	0.5
53.03938	1.1
55.01856	1.1
55.05497	1.5
55.68997	0.5
57.03418	1.6
57.07067	6.7
64.21801	0.6
64.45312	0.6
65.03934	1.0
67.05495	1.5
69.03406	3.0
69.07048	3.5
70.06555	2.9
71.04978	1.5
71.08598	4.2
79.05469	5.4
81.03394	4.3
81.07045	6.0
83.04945	1.3
83.08616	0.7
84.08139	1.0
85.02878	4.1
85.06531	1.3
91.05453	5.5
93.07034	6.6
95.04942	4.9
95.08583	4.2
97.02874	1.4
97.06500	0.7
99.04384	0.9
99.08054	2.9
100.08383	0.8
103.05437	4.0
105.03374	15.5
105.07005	8.6
107.04943	47.7
107.08588	7.9
108.04544	0.6
109.06488	1.4
109.10133	1.4
110.07146	0.7
111.04427	2.9
111.08046	1.5
115.05450	1.5
117.06990	1.4
119.08535	4.2
120.05634	0.8
120.08042	0.9
120.08853	1.1
121.02818	3.7
121.06448	2.4
121.09348	0.9
121.10130	9.0
123.04393	1.3
123.08073	5.0
124.03951	1.0
125.05959	0.9
125.09622	1.2
126.05494	11.5
127.03910	1.0
127.05017	1.0
131.08542	2.8
133.10088	5.5
134.10469	1.0
135.08029	17.5
135.11653	1.3
137.05959	5.8
139.07524	1.0
139.11247	1.1
148.05058	1.2
149.02319	51.1
149.09605	5.6
149.13329	0.7
150.02664	11.4
150.09116	1.0
151.07469	0.9
151.11211	0.9
154.06239	4.0
159.08047	0.7
159.11688	0.9
163.07524	22.5
167.03371	2.8
167.07008	23.3
167.10593	1.3
175.14786	1.7
176.15063	0.8
177.09091	2.7
177.12726	2.6
180.07784	4.0
195.10136	100.0
195.13768	3.2
211.13367	1.2
212.10690	2.8
213.11194	15.1
216.08766	6.1
240.08711	4.0
249.07465	0.9
267.08618	0.8
296.92041	0.7
383.72299	0.8
392.13336	0.9
392.20343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
54.48568	0.4
55.01854	0.8
57.03423	0.8
60.91666	0.4
61.02905	1.1
69.03416	3.3
79.05475	5.1
81.03384	0.8
85.02888	9.9
91.05437	2.8
92.09122	0.6
95.04941	2.3
97.02850	2.6
97.65371	0.4
103.05449	4.5
105.03363	1.0
105.07009	6.1
106.03710	0.8
107.04938	59.2
107.08549	0.8
108.78629	0.4
109.02894	1.7
115.05426	2.9
117.06970	1.7
120.05709	0.8
121.06532	0.5
121.58808	0.4
123.04379	1.9
124.05167	0.6
125.05963	0.5
127.03910	0.7
133.74489	0.4
135.08023	18.5
140.04588	1.0
141.05424	0.7
145.04953	1.0
145.07565	1.0
147.04320	0.5
149.02306	6.1
150.02661	0.8
154.06197	4.4
155.07007	0.8
163.07498	29.5
165.05408	0.8
167.06999	46.6
169.04922	1.8
176.30609	0.5
180.07690	6.4
195.10129	100.0
196.10370	0.7
213.11189	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	392.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.7
55.01856	1.9
55.05494	0.5
57.03412	1.5
57.07050	2.2
57.52715	0.3
61.02904	0.7
65.03931	0.4
65.83397	0.3
69.03411	3.6
70.06567	1.4
71.04943	0.4
71.08627	2.3
73.02871	0.4
73.67049	0.3
78.04735	0.4
79.05473	4.4
81.03392	1.8
81.07034	0.8
85.02423	0.6
85.02888	11.1
85.06524	0.5
86.09682	0.4
87.04465	0.4
91.03912	0.3
91.05451	2.9
92.08979	0.5
93.06992	1.4
95.04959	2.5
95.08618	0.5
96.23348	0.3
97.02868	3.5
99.04445	0.5
103.05466	4.1
105.07004	5.5
107.04938	57.4
107.08568	2.1
109.02859	0.7
109.06476	0.6
111.04442	0.4
112.07558	0.6
115.05416	2.8
117.06998	1.7
119.08540	0.4
120.05691	0.6
120.08092	0.4
121.02827	0.8
121.10133	0.6
123.04385	0.6
123.08010	0.7
124.05159	1.3
125.05950	0.7
127.03895	1.6
131.08559	0.5
133.06477	0.7
135.08023	18.4
137.05931	1.4
139.03893	1.5
145.04976	0.7
145.06508	0.3
145.07593	1.7
147.04364	0.8
149.02316	24.6
149.09618	1.6
150.02647	4.0
151.07509	0.4
153.05392	0.7
154.06219	8.1
154.07434	0.4
163.07507	28.6
164.08293	0.4
165.05394	0.6
167.03323	1.6
167.06999	31.0
169.08667	1.0
170.08865	0.4
177.09041	1.3
180.07710	5.3
195.10129	100.0
196.10394	0.4
198.08835	1.5
213.11191	23.0
279.52759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81479	0.5
53.03938	1.1
55.01856	1.1
55.05497	1.5
55.68997	0.5
57.03418	1.6
57.07067	6.7
64.21801	0.6
64.45312	0.6
65.03934	1.0
67.05495	1.5
69.03406	3.0
69.07048	3.5
70.06555	2.9
71.04978	1.5
71.08598	4.2
79.05469	5.4
81.03394	4.3
81.07045	6.0
83.04945	1.3
83.08616	0.7
84.08139	1.0
85.02878	4.1
85.06531	1.3
91.05453	5.5
93.07034	6.6
95.04942	4.9
95.08583	4.2
97.02874	1.4
97.06500	0.7
99.04384	0.9
99.08054	2.9
100.08383	0.8
103.05437	4.0
105.03374	15.5
105.07005	8.6
107.04943	47.7
107.08588	7.9
108.04544	0.6
109.06488	1.4
109.10133	1.4
110.07146	0.7
111.04427	2.9
111.08046	1.5
115.05450	1.5
117.06990	1.4
119.08535	4.2
120.05634	0.8
120.08042	0.9
120.08853	1.1
121.02818	3.7
121.06448	2.4
121.09348	0.9
121.10130	9.0
123.04393	1.3
123.08073	5.0
124.03951	1.0
125.05959	0.9
125.09622	1.2
126.05494	11.5
127.03910	1.0
127.05017	1.0
131.08542	2.8
133.10088	5.5
134.10469	1.0
135.08029	17.5
135.11653	1.3
137.05959	5.8
139.07524	1.0
139.11247	1.1
148.05058	1.2
149.02319	51.1
149.09605	5.6
149.13329	0.7
150.02664	11.4
150.09116	1.0
151.07469	0.9
151.11211	0.9
154.06239	4.0
159.08047	0.7
159.11688	0.9
163.07524	22.5
167.03371	2.8
167.07008	23.3
167.10593	1.3
175.14786	1.7
176.15063	0.8
177.09091	2.7
177.12726	2.6
180.07784	4.0
195.10136	100.0
195.13768	3.2
211.13367	1.2
212.10690	2.8
213.11194	15.1
216.08766	6.1
240.08711	4.0
249.07465	0.9
267.08618	0.8
296.92041	0.7
383.72299	0.8
392.13336	0.9
392.20343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25845	0.2
57.07070	9.3
59.75570	0.2
63.81147	0.2
65.03915	0.6
67.05493	0.2
71.08240	0.4
71.08614	8.9
79.05515	0.2
81.07026	0.4
89.96326	0.2
92.08993	1.0
97.44075	0.2
100.94701	0.2
113.13265	0.3
121.02839	3.5
121.03979	0.3
149.02327	100.0
167.03371	5.3
248.04019	0.2
384.81570	0.3
391.24481	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	392.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76079	0.3
53.03931	0.4
55.01843	0.4
56.92036	0.3
57.03410	0.4
57.06813	0.6
57.07068	11.3
57.59218	0.3
58.07397	0.6
61.02913	5.8
62.31921	0.3
65.03920	2.3
67.05488	0.6
69.03416	2.2
70.06554	0.5
70.18202	0.3
71.08611	9.4
72.08955	0.4
73.02905	0.4
76.75674	0.4
79.05486	4.5
81.03393	0.9
81.95068	0.3
84.08138	2.6
85.02890	7.9
85.37138	0.4
86.09701	0.5
91.05454	0.8
93.03365	1.5
95.04928	0.8
97.02874	1.6
107.04945	10.9
107.08541	0.5
109.02907	0.4
109.06497	0.6
110.03647	7.2
111.04420	5.2
121.02837	5.1
121.03970	0.6
121.06478	4.0
125.05965	31.1
127.03845	0.6
133.02841	4.5
135.04395	14.2
135.08076	0.5
137.05931	2.4
140.04655	2.2
141.05440	0.5
145.02777	0.8
149.02319	100.0
149.05930	10.2
150.02634	17.6
151.03882	41.7
151.04941	2.2
153.05429	7.4
155.07018	2.0
163.03873	5.0
165.05426	17.6
166.05008	0.9
167.03374	6.3
167.07007	10.7
168.03645	0.7
177.05417	11.7
193.04944	0.6
195.04716	0.4
195.06448	10.3
195.08101	0.5
195.10098	0.5
213.07541	47.3
217.57414	0.4
220.24527	0.4
249.79088	0.4
274.14722	0.4
292.05096	0.4
391.19531	0.4
392.19540	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45715	0.2
50.57201	0.2
54.82130	0.2
57.07067	10.4
57.95435	0.2
58.84666	0.2
65.03919	1.1
67.05510	0.2
67.61507	0.2
69.07053	0.3
71.08256	0.5
71.08615	9.2
81.07039	0.3
85.06512	0.2
87.93089	0.2
91.05434	0.4
92.09006	1.3
93.03320	0.2
93.06995	0.3
111.04436	0.4
113.13242	0.3
121.02843	4.1
121.03721	0.4
128.37787	0.3
131.63153	0.2
133.10246	0.3
149.02321	100.0
167.01962	0.4
167.03362	6.6
231.98628	0.3
297.67685	0.3
391.24478	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	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44898	0.2
55.05492	1.5
57.07067	11.1
58.06580	0.4
65.03920	1.2
67.05473	1.1
68.39200	0.2
69.07042	2.4
70.06577	4.1
71.08247	0.4
71.08617	9.5
72.08123	0.2
72.38494	0.2
79.05482	0.9
81.07036	1.7
83.08607	0.6
85.10130	0.2
86.09698	0.4
88.07606	1.1
91.05430	0.4
92.08762	0.4
92.09286	0.4
93.07005	0.4
95.08588	1.4
97.06520	0.3
97.10132	0.9
101.75495	0.2
102.09161	0.5
105.06998	0.4
107.08564	0.3
107.13759	0.2
109.10136	0.4
112.13762	0.2
112.80003	0.2
113.13236	0.5
117.09940	0.2
119.08538	0.5
121.02844	4.9
121.03717	0.3
121.04009	0.2
121.10104	0.4
132.10161	1.4
146.11754	1.3
149.02322	100.0
161.13106	0.3
167.03369	7.3
213.01524	0.3
284.29547	1.3
285.29688	0.4
292.56778	0.2
299.76004	0.2
328.32086	4.9
329.32355	3.9
355.28256	1.2
356.28629	1.2
390.35660	7.9
391.24487	23.5
391.35983	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67282	0.2
57.07064	9.9
65.03925	0.5
66.85793	0.2
67.05452	0.2
69.07048	0.3
71.08246	0.4
71.08614	8.5
71.59503	0.2
76.59409	0.2
77.85378	0.2
80.19635	0.2
92.08980	0.5
92.64105	0.3
93.03397	0.3
99.06246	0.2
109.84312	0.2
113.13290	0.5
121.02843	4.2
121.03844	0.4
133.10124	0.3
149.02316	100.0
151.93907	0.2
167.03368	6.6
171.01871	0.3
202.67395	0.2
223.87898	0.2
236.44914	0.3
241.19365	0.2
241.48203	0.2
391.24451	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44898	0.2
55.05492	1.5
57.07067	11.1
58.06580	0.4
65.03920	1.2
67.05473	1.1
68.39200	0.2
69.07042	2.4
70.06577	4.1
71.08247	0.4
71.08617	9.5
72.08123	0.2
72.38494	0.2
79.05482	0.9
81.07036	1.7
83.08607	0.6
85.10130	0.2
86.09698	0.4
88.07606	1.1
91.05430	0.4
92.08762	0.4
92.09286	0.4
93.07005	0.4
95.08588	1.4
97.06520	0.3
97.10132	0.9
101.75495	0.2
102.09161	0.5
105.06998	0.4
107.08564	0.3
107.13759	0.2
109.10136	0.4
112.13762	0.2
112.80003	0.2
113.13236	0.5
117.09940	0.2
119.08538	0.5
121.02844	4.9
121.03717	0.3
121.04009	0.2
121.10104	0.4
132.10161	1.4
146.11754	1.3
149.02322	100.0
161.13106	0.3
167.03369	7.3
213.01524	0.3
284.29547	1.3
285.29688	0.4
292.56778	0.2
299.76004	0.2
328.32086	4.9
329.32355	3.9
355.28256	1.2
356.28629	1.2
390.35660	7.9
391.24487	23.5
391.35983	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.1
51.02365	0.2
51.54173	0.1
52.42747	0.1
53.03937	3.0
54.04270	0.3
54.81713	0.1
55.01859	0.3
55.05492	1.0
57.03431	1.5
57.06865	0.1
57.07068	2.1
57.92969	0.1
58.03757	0.2
59.04984	0.2
61.02906	0.8
62.42543	0.2
67.05484	0.7
69.03415	9.4
69.07047	0.8
70.03744	1.4
71.04976	2.0
71.08607	1.5
72.05278	0.2
73.02898	0.4
77.03922	0.8
79.05475	6.7
80.05802	1.8
81.03398	14.3
81.07027	1.0
82.03731	3.7
83.04963	1.6
83.08611	0.2
85.02888	14.4
85.06517	1.0
86.03222	2.9
91.05463	0.3
92.08772	0.3
92.09253	0.2
93.07034	1.0
95.04945	5.6
95.08567	1.2
96.05271	1.2
97.02255	0.3
97.02866	7.1
97.03487	0.3
98.03206	2.2
99.04417	3.9
100.04777	0.7
105.03370	100.0
106.03702	38.6
106.69971	0.2
107.08554	1.0
109.02856	7.3
109.03607	0.3
109.06487	0.3
109.10149	1.2
110.03207	2.3
111.08057	0.2
113.03490	0.2
117.74701	0.2
119.08554	1.1
121.02821	0.7
121.10146	0.4
123.04403	14.5
123.07996	0.2
123.11692	0.7
124.04733	5.0
125.09602	0.3
127.03886	5.8
128.04193	1.8
133.10078	0.8
135.07950	0.2
135.11671	0.7
137.09566	0.2
139.11157	0.2
145.04926	1.2
146.05247	0.2
147.11749	0.2
149.02316	19.4
149.13181	0.2
151.11142	0.2
167.03354	1.4
167.14311	0.3
172.08701	0.2
175.14848	0.4
193.15855	0.3
210.15639	0.2
211.13298	0.4
211.16867	1.5
225.07672	0.3
225.10144	0.2
227.16272	0.2
228.16652	0.3
229.17821	0.3
231.06471	0.7
232.06816	0.7
245.12849	0.2
249.07521	8.4
250.07864	9.1
257.07941	0.2
257.10257	1.7
267.08578	13.9
268.08917	15.6
273.63348	0.2
295.10345	0.2
313.11713	0.3
355.17459	0.2
391.15897	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.1
51.02365	0.2
51.54173	0.1
52.42747	0.1
53.03937	3.0
54.04270	0.3
54.81713	0.1
55.01859	0.3
55.05492	1.0
57.03431	1.5
57.06865	0.1
57.07068	2.1
57.92969	0.1
58.03757	0.2
59.04984	0.2
61.02906	0.8
62.42543	0.2
67.05484	0.7
69.03415	9.4
69.07047	0.8
70.03744	1.4
71.04976	2.0
71.08607	1.5
72.05278	0.2
73.02898	0.4
77.03922	0.8
79.05475	6.7
80.05802	1.8
81.03398	14.3
81.07027	1.0
82.03731	3.7
83.04963	1.6
83.08611	0.2
85.02888	14.4
85.06517	1.0
86.03222	2.9
91.05463	0.3
92.08772	0.3
92.09253	0.2
93.07034	1.0
95.04945	5.6
95.08567	1.2
96.05271	1.2
97.02255	0.3
97.02866	7.1
97.03487	0.3
98.03206	2.2
99.04417	3.9
100.04777	0.7
105.03370	100.0
106.03702	38.6
106.69971	0.2
107.08554	1.0
109.02856	7.3
109.03607	0.3
109.06487	0.3
109.10149	1.2
110.03207	2.3
111.08057	0.2
113.03490	0.2
117.74701	0.2
119.08554	1.1
121.02821	0.7
121.10146	0.4
123.04403	14.5
123.07996	0.2
123.11692	0.7
124.04733	5.0
125.09602	0.3
127.03886	5.8
128.04193	1.8
133.10078	0.8
135.07950	0.2
135.11671	0.7
137.09566	0.2
139.11157	0.2
145.04926	1.2
146.05247	0.2
147.11749	0.2
149.02316	19.4
149.13181	0.2
151.11142	0.2
167.03354	1.4
167.14311	0.3
172.08701	0.2
175.14848	0.4
193.15855	0.3
210.15639	0.2
211.13298	0.4
211.16867	1.5
225.07672	0.3
225.10144	0.2
227.16272	0.2
228.16652	0.3
229.17821	0.3
231.06471	0.7
232.06816	0.7
245.12849	0.2
249.07521	8.4
250.07864	9.1
257.07941	0.2
257.10257	1.7
267.08578	13.9
268.08917	15.6
273.63348	0.2
295.10345	0.2
313.11713	0.3
355.17459	0.2
391.15897	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.0
53.34411	1.2
54.81872	1.8
55.01861	2.8
55.05502	22.5
57.03420	1.7
57.07053	3.2
67.05487	28.1
69.07059	16.4
71.04980	6.6
75.09052	1.2
78.64674	1.1
79.05470	32.6
81.07036	90.4
83.04919	1.4
83.08593	7.0
85.06061	1.8
85.06532	31.6
91.05457	35.0
92.08687	2.7
92.09270	3.1
93.07018	91.3
95.04939	7.7
95.08581	59.0
97.06516	1.5
97.10156	2.3
99.08053	1.5
105.07014	100.0
107.08578	56.5
109.10137	27.3
111.08087	5.2
113.09628	7.1
113.18050	1.2
117.06982	7.7
119.07708	2.5
119.08553	57.3
121.10116	52.2
123.11689	14.6
129.06921	1.7
131.08510	15.2
133.10097	33.3
133.11037	2.1
135.11665	20.3
139.11182	5.0
142.15443	1.8
143.08533	2.1
144.09366	1.5
145.10081	19.2
147.11647	24.9
149.02359	11.3
149.13246	15.8
157.10104	2.4
159.11635	22.3
161.13229	26.0
163.14783	24.1
171.11621	2.0
173.13232	15.1
175.14821	10.9
177.16397	2.2
179.14240	1.5
187.14766	6.5
189.16385	9.5
201.16318	2.4
203.17960	2.6
215.17950	2.4
217.19464	1.5
229.19505	3.1
231.21085	7.6
355.29922	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	390.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82062	0.3
55.05498	3.4
57.07047	1.2
60.72437	0.3
67.05505	2.2
67.26414	0.3
69.03371	0.3
69.07045	4.8
69.81886	0.2
71.04959	0.5
79.05467	2.3
81.03384	0.5
81.07038	16.1
83.08591	1.6
85.02903	0.5
85.06502	0.5
91.05460	5.9
92.08819	0.5
93.07014	7.8
95.04939	0.6
95.08583	14.0
96.82341	0.3
97.71391	0.3
99.08081	0.7
105.07014	19.7
106.02882	0.5
107.08576	10.6
109.02866	0.3
109.10137	2.1
111.08044	0.4
113.09627	0.3
117.06963	1.2
119.08556	45.7
121.10104	1.4
123.11726	0.6
124.03938	0.6
130.07565	0.3
131.08562	2.1
133.10104	34.2
135.08102	0.4
135.11681	4.0
137.09557	0.4
145.10126	1.2
146.10880	1.5
147.11674	6.0
149.02303	1.3
149.13289	0.4
156.56436	0.3
160.12465	0.6
168.36415	0.3
173.13214	0.4
174.08255	0.3
175.14786	100.0
193.15875	1.2
234.17792	0.3
284.80600	0.3
383.81290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78817	0.5
53.02690	0.5
53.03941	1.0
53.50283	0.5
55.05513	5.9
55.59240	0.6
57.07063	5.6
59.62791	0.6
67.05489	6.6
69.03422	2.8
69.07050	11.1
71.04975	9.1
74.72263	0.5
79.05470	16.7
79.05895	0.8
79.61316	0.6
80.37880	0.6
81.07037	18.6
81.07486	1.2
83.08582	1.0
85.02876	3.9
85.06532	0.8
91.05456	16.3
92.05766	0.8
92.09100	4.0
93.07023	29.5
95.04955	2.8
95.08577	33.7
96.30870	0.6
99.08068	9.9
105.03403	3.3
105.07010	73.8
106.02878	2.5
107.08573	50.1
109.06496	1.4
109.10126	3.4
113.09617	5.0
117.06998	2.6
119.08555	78.9
121.10117	6.4
123.11691	6.3
124.03928	8.3
131.08553	2.8
133.10101	100.0
135.11661	63.1
137.09624	5.3
141.59010	0.8
145.04933	1.1
145.10007	0.9
146.10872	0.7
147.11652	7.9
149.02295	0.8
149.13245	3.5
160.12413	0.9
167.06935	1.0
168.07365	1.2
173.13081	0.9
175.14778	82.0
193.15857	10.2
233.10315	1.5
233.93834	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26893	0.2
53.00316	0.3
53.03950	0.5
55.05506	7.7
56.12923	0.2
57.07064	0.3
63.34160	0.2
65.60218	0.2
67.05491	2.2
69.03417	1.9
69.07056	9.4
71.04978	3.3
79.05473	2.2
81.03419	0.8
81.07041	7.7
83.08607	3.2
85.02886	2.9
89.79927	0.2
91.05458	9.8
92.08788	0.6
93.07030	5.0
95.04955	0.5
95.08587	9.6
97.02878	1.1
103.05443	0.5
105.03421	0.5
105.07018	20.4
107.08582	16.5
107.11403	0.2
109.02856	0.3
109.06508	1.4
109.10162	1.5
115.05435	0.2
117.06996	4.9
119.08562	100.0
121.10121	3.1
123.11694	2.9
127.03897	1.3
131.08543	1.9
132.09325	0.3
133.10106	18.5
135.11658	0.8
145.04951	0.9
145.10139	1.5
146.10873	0.4
147.11674	3.3
147.12740	0.4
149.02365	0.4
156.49371	0.2
160.12456	0.8
163.05937	0.3
173.13271	1.0
175.14792	46.1
215.09143	1.2
233.10158	2.4
361.00549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71124	0.5
54.25510	0.5
55.01866	0.7
55.05504	8.9
57.03429	2.5
57.07059	1.5
59.04989	0.6
59.13186	0.5
61.02910	0.9
61.72774	0.6
67.05489	23.5
69.03416	6.3
69.07052	21.8
71.04975	1.1
76.60902	0.6
79.05461	4.0
81.03382	1.3
81.07030	18.6
81.07475	1.1
83.04955	4.6
83.08591	6.3
85.02876	12.0
85.06483	0.9
88.31289	0.6
91.05447	5.8
92.09040	4.0
93.07024	13.2
95.04951	2.8
95.08582	60.4
97.02865	3.9
97.06441	0.7
97.10158	1.5
99.08057	2.6
100.11229	0.8
105.03380	1.2
105.07010	10.6
107.08572	25.3
109.02863	1.0
109.06509	6.1
109.10136	98.0
111.08049	4.9
117.06975	0.8
119.08553	52.5
120.09320	0.9
121.10116	66.3
123.08046	19.0
123.11679	7.2
125.09634	2.2
127.03870	2.6
133.09048	1.0
133.10100	37.2
135.11662	100.0
137.09589	85.5
139.11156	21.2
145.04961	2.9
145.10127	0.8
147.09090	0.7
147.11667	4.2
149.02330	1.3
149.12030	1.0
149.13231	26.8
151.11154	0.7
151.14799	9.2
163.05995	1.3
163.14827	1.3
165.16328	1.0
167.06932	0.9
173.13239	0.9
175.14780	55.0
183.28923	0.6
193.15840	61.2
211.16896	7.2
275.60339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.05497	4.1
57.00916	0.3
57.03419	0.3
57.07066	0.8
59.04972	0.8
61.02896	1.7
66.17255	0.3
67.05479	1.9
69.03407	4.5
69.07047	12.7
71.04967	2.5
73.02880	0.3
75.05449	0.3
79.05473	5.0
81.03400	4.1
81.07029	5.7
83.04951	0.5
83.08589	3.0
85.02886	11.6
85.06501	0.7
88.45404	0.3
91.05448	4.2
92.09168	0.4
93.07021	4.6
95.04941	1.9
95.08018	0.4
95.08583	9.8
97.02867	3.8
97.06497	0.6
99.04422	7.4
100.04716	0.4
105.03365	32.6
105.07002	15.4
107.08568	5.2
109.02857	2.3
109.06479	0.6
109.10139	9.1
115.05346	0.3
117.06996	0.7
119.05009	0.4
119.08549	52.0
121.10130	2.1
123.04379	5.0
123.08047	0.5
123.11685	0.8
125.05856	0.4
125.32816	0.4
127.03905	2.5
131.08508	1.7
133.10095	54.8
135.11658	4.3
137.09592	2.5
142.07744	0.4
143.06989	0.5
145.10033	2.8
146.10886	0.6
147.11658	9.8
149.13232	0.6
157.09990	0.5
159.11693	0.5
160.12482	2.6
173.13234	1.9
175.11243	1.8
175.14775	100.0
193.12152	3.0
193.15825	7.6
208.48222	0.3
227.16400	0.8
249.07495	2.5
267.08585	5.3
278.18121	0.3
342.21216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03823	0.2
51.78633	0.2
52.94789	0.2
53.03941	2.9
57.03411	1.2
67.80634	0.2
69.03411	6.7
71.04967	1.1
72.87019	0.3
77.03891	0.4
79.05472	6.2
81.02930	0.5
81.03395	12.8
85.02889	10.5
92.08709	0.6
92.09208	0.5
95.04955	4.9
97.02863	5.5
99.04411	2.4
105.03372	100.0
107.07034	0.3
109.02851	6.6
123.04404	11.7
126.12788	0.3
127.03896	4.6
128.63177	0.3
136.77945	0.3
145.04918	1.1
231.06630	0.5
249.07520	11.3
251.37189	0.3
267.08563	19.3
270.54565	0.3
280.98697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67232	0.5
53.03932	1.6
53.30714	0.5
55.01865	2.9
55.05499	6.0
57.03405	1.0
66.13052	0.7
67.05483	7.1
69.03403	3.7
69.07044	3.2
71.04977	31.6
79.05472	11.7
81.03384	1.4
81.07039	8.3
83.04963	4.4
85.02882	13.7
91.05458	43.9
92.08956	0.9
93.07022	32.2
95.04943	3.4
95.08581	14.6
97.02867	3.2
97.06502	3.8
99.04431	1.0
101.06014	1.1
105.03384	7.6
105.07009	50.5
106.03709	3.4
107.04986	1.1
107.08597	5.4
109.02871	1.0
109.06479	0.9
109.10211	0.8
113.05993	1.2
115.05356	1.3
117.06985	1.6
119.08560	39.1
121.10117	6.2
127.03902	1.3
128.34419	0.7
129.06995	12.5
131.08543	24.8
133.06461	4.0
133.10106	100.0
135.11610	0.8
142.07742	3.8
145.10059	1.1
147.08018	4.7
147.11671	17.3
149.09631	1.1
157.10101	10.5
163.11171	1.1
175.09642	1.2
175.11145	36.1
175.12634	1.4
181.12181	1.4
193.12198	38.0
201.48068	0.7
211.13248	29.3
234.15604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01877	5.4
55.05503	1.5
57.03419	2.6
59.04969	0.7
61.02907	2.6
67.05461	0.7
69.03418	6.3
73.02889	2.3
79.05483	7.5
79.52975	0.6
81.03387	2.7
81.07027	1.2
81.92062	0.5
83.04961	2.4
83.08587	1.0
85.02891	22.8
87.04430	0.7
91.03981	0.8
91.05468	10.0
91.79227	0.7
92.08997	1.0
92.48109	0.7
92.63715	0.7
93.07035	1.5
95.04939	4.3
95.08572	1.2
96.05291	0.8
97.02875	7.6
97.06512	2.8
99.04451	0.9
103.05452	8.4
105.03374	1.3
105.07018	85.0
106.07332	1.2
107.04952	2.7
107.08572	3.4
109.02874	2.3
109.06496	9.6
109.10141	1.2
110.06857	1.5
115.05451	15.5
118.04147	5.3
119.04945	10.8
121.06490	1.5
121.10129	2.7
122.10479	0.7
123.08049	3.2
127.03899	2.7
131.04881	1.5
131.08562	1.0
132.05743	0.8
133.06474	76.7
133.10114	4.7
134.03557	0.9
134.10414	3.0
137.05899	0.6
143.05022	1.6
143.06027	6.5
145.04935	1.5
147.04358	0.9
147.08063	0.8
147.11658	2.7
149.05914	2.8
151.03932	0.7
151.07523	3.7
153.05460	5.1
153.09093	1.0
161.05952	100.0
165.09004	0.7
167.06963	3.4
168.07777	3.5
168.14618	0.9
173.13280	1.2
174.13478	1.0
179.07011	2.6
180.08685	0.8
191.14343	1.3
192.14503	0.8
193.08569	54.5
196.07326	1.3
197.08113	0.7
209.15324	5.3
210.15671	3.6
211.09637	12.2
216.32474	0.6
228.16748	1.5
390.18127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01865	0.2
55.24781	0.2
56.55118	0.2
57.03420	0.8
61.00283	0.1
61.02906	0.2
62.19390	0.2
64.87450	0.2
67.05470	0.2
67.96176	0.2
69.03414	7.5
69.07027	0.3
71.04971	0.9
72.31912	0.2
73.02901	0.2
77.03896	0.3
79.05469	6.8
81.03391	10.4
81.07017	0.3
85.02364	0.4
85.02884	11.4
85.91598	0.2
89.06005	0.4
91.05473	0.3
92.08939	0.3
93.07034	0.3
95.04938	4.7
95.08572	0.4
97.02868	5.1
99.04435	1.3
105.03368	100.0
105.07000	1.0
106.03703	0.3
107.15500	0.2
109.02859	6.4
119.08557	1.8
123.04395	15.6
127.03876	5.0
133.10077	2.4
135.11661	0.8
139.93155	0.2
145.04948	0.7
147.11620	0.2
165.05525	0.2
175.14809	2.0
231.06514	1.2
249.07516	8.1
267.08569	19.3
388.60818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.3
54.82158	0.8
55.01855	3.9
55.05500	3.7
57.03415	3.8
61.02900	3.7
63.61221	0.8
65.03942	0.8
67.05474	1.6
67.59791	0.7
69.03412	10.1
69.07035	1.3
71.04961	0.9
73.02898	1.2
77.53028	0.8
79.05476	9.3
81.03387	3.1
81.07018	5.3
81.07442	0.7
83.04964	3.3
83.08610	1.9
84.08884	0.8
85.02888	27.0
85.06520	0.9
86.03210	1.5
91.05473	8.1
92.09012	3.1
93.06997	1.8
95.04940	8.4
95.08571	1.3
96.05249	0.8
97.02882	5.8
97.06512	5.5
98.06876	0.8
99.04442	1.5
103.05463	6.8
105.03387	1.6
105.07012	79.9
106.07378	1.2
107.04948	4.2
107.08579	3.6
109.02858	1.5
109.06515	12.6
109.10128	3.4
110.06818	3.7
110.10458	1.0
111.08079	1.0
113.32259	0.9
114.13129	0.9
115.05444	13.4
118.04134	4.8
119.04910	6.3
119.08576	5.0
121.06487	1.7
121.10134	4.8
122.10472	1.2
123.04326	0.9
123.08052	1.8
123.11677	1.0
125.09610	0.9
127.03901	4.4
131.04887	1.6
131.08511	1.8
133.06467	74.8
133.10097	8.4
134.10425	3.0
135.08017	1.0
135.11673	0.8
143.05994	6.3
145.04883	1.9
147.04408	1.4
147.11708	6.3
148.12039	1.7
149.05962	3.1
151.03906	0.9
151.07542	5.0
151.11221	1.2
153.05443	3.1
153.09033	1.4
161.05945	100.0
165.09062	1.1
167.06990	3.7
167.14322	1.0
168.07817	1.5
173.13176	1.6
174.13582	1.9
179.07101	0.8
180.08632	1.6
191.14253	3.9
192.14610	0.9
193.08565	49.4
196.07242	2.8
209.15340	9.0
210.15698	7.8
211.09679	10.0
215.62669	0.9
227.16377	3.6
228.16768	4.0
258.00732	0.8
273.65802	0.8
358.95364	0.8
390.18106	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.2
51.30658	0.2
53.03944	3.8
54.81793	0.2
55.01861	0.4
55.05506	0.3
57.03419	1.0
57.07044	0.2
59.04989	0.3
61.02925	0.3
67.05489	0.4
67.19168	0.2
67.58351	0.2
69.03072	0.4
69.03416	7.4
69.07044	0.3
70.06557	0.3
71.04978	1.7
73.02903	0.4
77.03905	0.5
77.84859	0.2
79.05474	6.0
81.03403	19.2
81.07037	1.0
83.04965	0.5
85.02895	7.8
85.06509	0.8
86.09698	0.3
91.05455	1.0
93.07030	2.2
94.07383	0.3
95.01324	0.4
95.04950	5.3
95.08579	1.5
96.08900	0.3
97.02872	8.6
97.06499	0.4
99.04445	2.9
105.03378	100.0
105.07016	1.8
106.07362	0.3
107.04938	0.3
107.08579	3.2
108.08942	0.9
109.02871	9.4
109.06494	1.1
109.10131	1.2
110.06857	0.3
111.08069	0.4
113.02335	0.4
119.04948	0.2
119.08553	1.6
120.08857	0.3
121.06473	0.3
121.10120	1.3
122.10500	0.3
123.04409	7.5
123.08032	0.8
123.11681	0.3
124.03904	0.2
124.08426	0.3
127.03905	6.9
131.08508	0.4
132.08893	0.4
133.06409	0.2
133.10129	1.4
135.08005	0.5
135.11624	0.3
137.09622	1.4
138.09995	0.4
139.10138	0.3
145.04945	1.2
145.10072	0.4
147.04443	0.5
147.11681	1.2
149.09576	0.3
152.07109	0.2
161.13216	0.3
163.14842	0.5
164.15149	0.3
173.13222	0.5
191.14319	1.3
192.14571	0.4
193.12204	0.3
207.13496	0.3
209.15395	1.3
210.15680	0.4
227.16312	0.3
249.07527	22.4
267.08585	12.5
389.17352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54362	0.6
53.03917	0.9
53.58486	0.5
55.01851	4.7
55.05502	0.7
57.03413	1.7
60.02586	0.6
61.02904	3.1
62.03945	0.6
67.05471	1.4
69.03410	7.2
69.07053	1.5
70.06574	0.7
71.01311	0.5
71.04960	3.2
73.02896	1.1
79.05474	6.5
81.03387	3.2
81.07037	3.4
83.04961	1.5
84.04506	0.8
85.02888	18.5
86.09686	4.5
91.05470	6.1
93.06985	1.6
95.04951	11.0
95.08556	1.6
97.02859	4.6
97.06502	1.6
99.04406	2.7
99.08025	1.3
103.05457	8.6
105.03397	5.1
105.07016	82.8
106.07372	0.6
107.04890	0.7
107.08575	4.5
109.02834	2.7
109.06505	4.1
109.10134	3.5
110.10479	0.7
111.08070	1.3
115.05447	16.0
117.06963	0.8
118.04137	4.3
119.04906	1.3
119.08567	2.7
120.09009	0.7
121.06419	0.8
121.10117	3.9
123.08025	2.9
124.07566	0.6
127.03878	1.3
131.04924	1.6
131.08505	1.3
132.05624	0.7
133.06473	73.3
133.10091	5.2
134.03412	0.6
134.10440	3.8
137.05952	42.8
137.09563	0.8
138.09105	1.3
139.57526	0.7
140.07051	0.8
143.06009	6.0
145.04884	0.9
145.10071	0.8
147.04385	5.0
147.08011	1.1
149.02339	0.9
149.09602	1.3
149.13193	0.8
150.13583	1.0
151.07498	3.9
151.11215	0.9
153.05428	1.0
153.09065	1.5
161.05952	100.0
165.09077	1.6
166.08626	1.5
169.08601	1.1
173.13292	1.2
178.06192	0.8
179.06992	2.7
180.08676	1.3
191.14240	1.3
192.14632	1.7
193.08575	48.7
193.10344	1.6
199.58496	0.8
209.15340	3.3
210.15594	3.5
211.07610	1.0
211.09616	29.9
211.11562	1.4
227.16516	0.8
228.16290	1.2
300.14444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02333	0.2
53.00309	0.2
53.03940	3.3
55.01859	0.8
55.05293	0.2
55.05502	2.4
57.03429	2.5
57.07056	0.9
59.04978	0.5
61.02904	1.1
67.05482	2.3
68.05810	0.5
69.03417	11.1
69.07055	2.2
70.03721	0.3
70.06561	1.1
71.04973	2.9
73.02895	1.1
76.37092	0.2
76.41795	0.2
77.03905	0.3
79.05465	5.5
81.03397	14.3
81.07037	3.9
82.07382	0.3
83.04964	2.1
83.08601	1.3
84.05305	0.3
85.02887	13.2
85.06529	2.1
86.03207	0.3
86.06894	0.3
86.09674	1.0
87.04473	0.3
89.03898	0.3
91.05464	1.9
92.05808	0.3
93.07023	3.9
94.07332	0.7
95.01319	0.3
95.04942	8.6
95.08591	7.7
96.05264	0.5
96.08920	2.8
96.74387	0.2
97.02871	11.6
97.06502	3.2
97.10135	0.4
99.03815	0.4
99.04428	4.6
99.08066	2.0
103.03945	1.9
105.03374	100.0
105.07001	5.0
106.03719	0.9
106.07336	0.8
107.04921	0.4
107.08572	5.4
108.04426	0.2
108.08894	1.4
109.02858	8.7
109.06500	4.6
109.10140	3.3
110.06834	0.5
110.10433	0.3
111.08056	2.0
112.07613	0.5
112.08387	0.3
113.06053	0.3
115.05460	0.2
117.03353	1.0
117.07024	0.4
119.04911	0.3
119.08562	2.5
120.08872	0.9
121.06480	0.8
121.10123	5.4
122.10471	1.4
123.04415	7.0
123.08032	2.3
123.11687	1.4
124.07559	0.3
124.08367	0.9
124.12006	0.3
125.05987	0.5
125.09609	6.6
126.09962	1.1
127.03902	5.5
127.07520	0.4
131.08539	1.4
132.08865	0.5
133.06462	1.6
133.10106	5.8
134.10445	1.5
135.08034	2.4
135.11650	1.1
136.08430	0.3
136.11971	0.4
137.06007	0.5
137.09612	0.9
139.07526	0.3
139.11180	0.8
141.01788	0.4
145.02802	1.9
145.04945	2.6
145.10106	0.5
147.08066	0.3
147.11665	3.7
148.08760	0.3
148.12061	1.0
149.05978	0.4
149.09598	9.1
149.13271	1.3
150.09930	3.7
150.13643	0.4
151.07487	0.2
151.10176	0.3
151.11186	2.9
152.11546	1.0
153.05556	0.2
153.09087	4.4
154.09496	1.1
158.10883	0.3
161.05936	1.5
161.13300	0.3
163.07567	0.2
163.14793	1.3
165.12759	1.1
167.07063	0.9
167.10693	1.2
167.14304	0.3
173.13194	2.6
174.13565	0.8
177.05449	3.0
179.07018	3.0
191.14288	4.1
192.14671	1.7
193.08560	1.1
197.08067	2.6
207.13838	0.4
208.14101	0.4
209.15381	8.3
210.15732	4.6
227.16373	4.5
228.16743	2.1
249.07527	16.6
267.08563	9.9
363.12570	0.2
372.44632	0.2
404.28485	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.6
53.03942	6.5
55.01857	1.9
55.05495	1.8
57.03418	2.7
58.73418	0.3
67.05487	1.6
69.03415	15.4
69.07056	1.7
71.04983	3.3
73.02888	0.6
78.03436	19.2
78.88383	0.4
79.05474	1.8
79.86318	0.3
80.04992	2.3
80.93442	0.4
81.03400	33.9
81.07025	2.8
83.08600	0.6
85.02887	9.7
85.06512	0.5
88.93504	0.4
90.02728	0.4
91.05466	1.0
92.09162	2.7
93.07027	1.7
95.04973	1.6
95.08582	2.7
96.04465	5.4
97.02876	7.9
97.10162	0.4
99.04446	4.8
105.03343	3.7
105.07034	4.8
106.02898	79.5
107.08548	3.4
109.02864	13.3
109.06511	1.0
109.10136	0.8
111.08084	0.5
115.97802	0.4
119.08564	10.6
121.10134	2.0
123.04429	0.6
123.11643	1.5
124.03932	100.0
127.03896	6.7
133.10121	3.7
135.11696	0.5
137.05995	0.5
145.10051	0.6
147.11685	1.8
166.05052	0.4
174.13510	0.4
175.14804	5.9
192.14738	0.5
193.15846	0.9
250.07050	25.4
268.08093	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	390.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03938	3.2
55.01857	0.3
57.03423	1.6
69.03418	11.3
71.04984	0.6
78.03431	13.0
78.03892	0.5
80.04988	2.2
81.03399	19.5
85.02884	8.7
87.04471	0.4
92.08994	0.4
96.04469	3.5
97.02870	4.8
99.04442	2.5
106.02899	65.2
109.02863	9.3
124.03929	100.0
126.70801	0.3
127.03899	5.4
139.39824	0.3
141.61128	0.3
143.36844	0.4
145.04924	0.4
166.04962	0.7
180.07768	0.4
232.05931	1.3
250.07040	12.8
268.08102	35.1
390.13873	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.7
58.89129	0.6
62.33270	0.6
78.95197	0.6
79.05482	1.0
81.07041	0.7
91.05421	0.7
92.09138	4.8
93.07003	1.0
95.08615	1.0
107.08611	0.7
119.83945	0.7
122.48296	0.6
158.90932	0.6
159.11639	0.8
196.77266	0.7
202.69644	0.7
301.25717	0.6
349.17084	0.7
389.22906	100.0
407.04166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.7
58.89129	0.6
62.33270	0.6
78.95197	0.6
79.05482	1.0
81.07041	0.7
91.05421	0.7
92.09138	4.8
93.07003	1.0
95.08615	1.0
107.08611	0.7
119.83945	0.7
122.48296	0.6
158.90932	0.6
159.11639	0.8
196.77266	0.7
202.69644	0.7
301.25717	0.6
349.17084	0.7
389.22906	100.0
407.04166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2166
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
52.36886	0.9
53.03947	1.2
55.01861	1.7
55.05498	9.9
56.77074	0.8
57.03422	6.1
57.07063	6.2
58.96844	0.8
59.04995	4.8
61.02908	2.3
62.79824	0.8
64.33295	0.9
65.03900	1.1
67.05486	13.0
69.03413	10.7
69.07051	15.6
70.47533	0.8
71.04990	6.8
79.05470	14.0
81.03395	1.8
81.07030	26.4
83.04959	13.2
83.08585	8.4
85.02881	17.7
85.06522	11.6
91.05456	12.6
92.08753	0.9
93.07019	47.6
94.21341	0.9
95.04932	10.4
95.08580	39.5
95.09193	1.4
97.02870	5.3
97.06505	6.0
97.10170	1.2
99.08064	26.1
105.07019	18.6
107.04954	10.6
107.08575	82.5
109.02924	1.4
109.06505	22.3
109.10138	33.9
111.08066	8.2
117.06977	3.9
119.08566	11.5
121.06483	25.7
121.10117	60.0
122.89413	0.9
123.08045	33.4
123.11661	5.4
125.05970	4.4
125.09615	13.0
127.03936	1.2
128.34392	1.0
131.08533	25.7
133.10101	36.0
135.08023	23.3
135.11624	8.0
137.09593	14.0
139.07491	1.6
139.11174	5.4
145.10104	8.5
147.11679	15.1
149.09592	100.0
149.13228	30.5
149.14348	1.8
151.11150	38.3
153.09068	9.4
158.10896	4.0
163.11183	2.3
163.14783	31.9
163.16066	1.8
166.06654	1.0
173.13213	27.5
191.14273	67.8
191.39809	1.0
209.15331	92.5
210.37346	1.0
227.16360	3.9
242.78264	1.0
266.13086	1.0
411.47223	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2165
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.03920	2.6
55.01855	2.1
55.05503	17.1
57.03417	11.0
57.07058	4.0
59.04980	1.7
61.02901	6.3
67.05489	10.6
68.05848	1.7
69.03417	26.2
69.07047	15.1
71.04955	8.5
74.40719	1.5
79.05482	16.9
81.03387	10.6
81.07039	28.9
83.04951	9.1
83.08595	14.8
85.02425	2.3
85.02890	40.8
85.06512	8.3
91.05461	13.9
92.08784	3.7
92.09280	2.4
93.07021	23.1
95.04942	36.9
95.08578	32.1
96.08904	3.8
97.02869	8.9
97.06508	41.1
97.10122	3.9
99.04429	6.7
99.08079	16.8
105.03371	72.8
105.07018	35.8
107.08572	46.1
109.02834	7.9
109.06496	91.3
109.10144	24.8
111.08064	12.3
113.05962	3.1
113.09631	1.6
115.07547	3.8
119.08569	25.3
121.10115	43.4
123.04401	6.3
123.08024	13.9
123.11678	9.7
125.09603	35.1
127.03903	8.5
127.07521	3.2
131.08549	19.1
133.10100	82.9
135.08029	11.2
135.11655	9.3
137.09579	2.1
145.10072	8.8
147.11665	51.8
149.09595	41.9
149.13202	10.5
151.11163	13.6
153.09111	32.3
153.20901	2.0
158.10915	3.2
163.14772	11.7
165.12686	7.2
167.14275	9.1
173.13223	36.9
191.14264	36.8
197.89980	1.8
209.15326	100.0
227.16362	49.8
267.08600	7.7
272.72305	1.9
380.46484	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.8
53.82267	0.5
55.05506	8.8
55.63359	0.4
56.51108	0.5
56.96549	0.5
57.03426	2.8
57.07051	0.7
57.67720	0.5
59.04971	1.0
61.02908	1.0
65.03973	0.5
67.05484	2.0
69.03419	4.8
69.07046	3.1
70.06564	0.8
70.41887	0.5
71.04974	2.5
72.08123	2.7
73.02899	0.7
74.06075	0.5
76.56479	0.6
78.03463	0.6
79.05481	1.3
81.03410	2.3
81.07052	4.4
83.01287	0.6
83.04969	7.3
83.08601	5.4
84.04491	0.9
84.08172	0.8
85.02895	9.5
85.06517	1.1
86.03216	0.7
86.09705	5.5
87.04445	0.7
91.05472	4.1
92.08652	1.1
92.09248	1.9
93.07031	3.7
95.04934	4.1
95.08579	4.3
97.02866	2.7
97.06503	3.3
97.10140	0.9
98.97539	0.9
99.04421	2.1
103.27193	0.6
105.03361	1.2
105.07018	5.4
107.04899	0.8
107.08581	6.5
109.02850	0.7
109.06499	5.5
109.10159	5.0
111.08057	2.4
119.04964	0.6
119.08573	2.6
121.02843	2.6
121.06437	0.5
121.10117	6.5
123.08026	3.0
123.11706	1.2
124.03980	0.6
125.09641	1.0
127.03907	0.6
131.08545	3.0
133.10112	9.1
135.04443	1.0
135.08014	0.9
137.05984	0.7
137.09572	1.2
139.03882	0.8
139.11113	0.8
143.11870	0.6
145.04947	0.8
145.10107	1.0
147.04352	0.9
147.11644	3.0
149.09615	2.8
149.13287	2.2
151.11186	4.7
153.05464	3.7
153.09048	0.9
154.05798	3.5
158.10876	0.5
161.06033	0.6
161.09230	0.6
163.03902	3.1
164.04222	3.6
165.09045	2.6
167.07043	1.0
167.14302	5.5
173.13121	5.0
179.14333	4.1
191.14247	4.3
201.12407	0.9
203.03371	0.6
203.05276	0.7
204.03735	2.2
207.06621	2.0
209.11546	2.8
209.15335	15.8
227.12572	3.4
227.16360	4.0
340.07422	1.1
389.17767	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	389.2166
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.03923	1.6
53.61715	1.3
55.01856	1.5
55.05499	9.6
57.03423	10.7
57.07071	5.9
59.04988	2.6
61.02917	2.0
67.05485	7.7
69.03425	11.6
69.07047	14.5
71.04975	9.7
73.02875	1.2
79.05488	12.7
81.03403	5.4
81.07034	33.1
83.04963	3.3
83.08611	11.5
85.02364	1.5
85.02889	45.3
85.06524	8.0
91.05464	15.6
92.08922	5.5
93.07018	22.0
95.04944	52.9
95.05517	2.7
95.08573	18.3
97.02867	7.6
97.06501	49.6
98.97587	1.6
99.04429	11.0
99.08083	10.2
105.07002	43.0
105.67181	1.3
105.98981	1.3
107.01389	1.6
107.08575	36.0
109.02857	3.3
109.06496	100.0
109.10133	22.3
111.08057	8.6
113.09641	1.6
115.07538	9.7
115.96956	1.5
117.06997	2.6
119.04900	2.3
119.08545	22.4
121.06470	2.2
121.10113	43.2
123.08030	11.1
123.11665	6.6
124.03893	2.0
125.09591	5.6
127.03897	3.1
127.07531	5.1
131.08531	21.0
133.10098	97.2
135.07982	12.8
135.11678	8.1
137.09612	2.0
139.11142	5.8
145.04926	1.6
145.10117	12.0
147.04411	2.1
147.11658	57.4
149.09619	2.0
149.13257	8.1
151.11205	6.0
153.09079	27.1
153.10207	2.2
158.10875	6.3
163.14822	11.0
165.12761	7.0
167.14320	3.0
171.10187	3.0
173.13228	36.6
175.03922	2.7
191.14272	39.2
207.06581	3.3
209.15332	72.1
224.03073	1.6
227.16367	80.4
263.91666	1.4
301.81302	1.4
370.40253	1.4
389.17560	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	389.2166
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03934	2.8
53.30960	1.9
55.01856	2.7
55.05501	10.3
57.03434	12.3
57.07058	2.8
59.04988	2.8
61.02925	8.2
65.03927	2.4
67.05492	8.6
69.03406	20.7
69.07059	9.8
69.52123	1.6
71.04974	18.2
72.19917	1.7
73.02897	11.8
79.05487	12.8
79.05914	2.0
81.03415	9.5
81.07032	16.2
83.04975	4.0
83.08615	4.5
85.02881	51.2
85.06544	8.5
87.04455	2.4
91.05470	15.0
92.08845	7.8
93.07026	24.8
95.04942	89.3
95.08564	13.3
97.02888	12.8
97.06490	23.1
99.04435	14.1
99.08088	11.4
105.07015	36.6
105.85459	1.8
107.08568	24.8
109.02901	4.0
109.06499	39.0
109.10170	9.6
111.04416	2.2
111.08087	9.3
112.04752	2.3
115.07571	3.8
119.04997	2.3
119.08575	22.0
121.06470	3.2
121.10110	41.7
123.08048	23.7
123.11705	2.2
125.09639	8.6
127.03918	7.8
127.07584	2.0
131.08510	13.2
133.02797	3.4
133.10106	53.9
133.11032	2.9
135.08060	10.8
135.11711	8.3
139.11194	9.8
140.04659	9.2
143.10725	2.5
145.04988	2.8
145.10143	8.9
147.11653	53.5
147.12729	2.6
149.13242	4.5
151.11176	3.1
153.09074	26.9
155.07060	8.6
158.10950	3.5
163.03831	2.5
163.14819	2.4
165.12758	8.6
167.07094	2.4
171.10097	17.7
173.13182	23.5
179.14279	4.1
180.22432	2.0
181.04904	14.2
189.06085	1.9
191.14278	25.1
193.08635	2.0
197.15434	1.8
209.08121	2.5
209.15341	54.3
227.09109	10.0
227.16370	100.0
348.20657	2.4
389.13904	3.4
389.17786	47.8
389.21912	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	389.2166
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03931	1.1
54.38188	0.5
54.81632	0.5
55.01859	2.5
55.05500	9.2
57.03417	2.9
57.07055	2.3
59.04985	0.8
61.02898	2.8
67.05487	4.3
69.03107	0.6
69.03416	8.4
69.07041	6.6
71.04973	5.0
73.02881	0.6
77.82101	0.6
79.05476	4.0
80.02317	0.5
81.03391	2.9
81.07039	8.6
83.01321	10.7
83.04961	7.3
83.08624	4.5
85.02427	0.8
85.02895	16.6
85.06529	3.4
91.05441	3.0
92.08931	0.8
93.07026	10.8
95.04935	3.3
95.08581	7.3
97.02872	4.8
97.06493	9.2
97.10149	0.8
99.04417	3.8
99.08067	24.1
101.05994	5.1
105.03380	6.0
105.07011	9.2
107.08569	23.0
109.02850	1.4
109.06488	8.2
109.10133	10.7
111.08057	6.6
118.29005	0.6
119.08556	5.0
121.06464	2.2
121.10115	28.5
123.08022	3.7
123.11658	4.1
125.05944	1.0
125.09601	12.9
127.03838	1.4
129.06941	0.6
131.08527	5.7
133.10106	26.7
135.08022	8.8
135.11694	5.0
136.08835	1.0
137.09593	5.9
137.13222	1.3
139.07504	8.2
139.11127	5.0
145.04901	0.9
145.10106	3.2
147.11647	6.0
149.09593	30.9
149.13237	7.2
151.11166	9.2
153.09065	5.8
155.10635	0.7
158.10881	1.1
161.13222	1.1
163.11137	0.9
163.14778	11.0
165.12755	0.7
167.10654	1.2
167.43835	0.7
173.13237	12.0
181.15800	4.7
191.14272	21.7
209.15332	100.0
227.16370	10.8
267.08795	0.6
401.84467	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2166
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.03928	1.1
55.01860	1.7
55.05497	8.4
57.03430	10.1
57.07062	4.8
59.04979	1.8
61.02905	6.4
65.03886	1.7
67.05498	10.1
69.03413	16.5
69.07053	15.5
71.04971	9.3
73.02896	2.3
79.05475	11.7
81.03397	4.9
81.07037	38.3
83.04935	2.0
83.08595	10.4
83.43552	1.2
85.02887	50.1
85.06525	8.0
86.09695	2.4
91.05458	16.4
92.09243	1.4
93.07021	29.7
95.04942	34.1
95.08583	21.9
97.02863	6.8
97.06511	49.0
99.04443	7.7
99.08083	7.4
105.03368	2.6
105.07011	40.1
107.08569	42.5
109.02851	2.3
109.06496	100.0
109.10130	22.2
111.08047	9.6
111.63988	1.3
113.09631	1.8
115.07541	6.7
117.06980	2.5
119.08551	25.9
121.06495	2.0
121.10114	38.7
123.08028	10.9
123.11684	12.2
125.05950	1.5
125.09586	4.9
127.03916	2.1
127.07480	2.0
129.97966	1.4
131.08522	23.9
133.10101	95.9
135.08012	12.6
135.11652	7.5
137.09641	2.5
139.11180	2.4
143.08571	2.5
145.10062	10.1
147.11656	47.0
149.09608	5.8
149.13251	16.4
151.11137	7.1
153.09065	25.6
158.10880	6.1
163.14780	11.4
165.12755	4.6
167.14182	1.4
173.13213	44.3
191.14267	44.1
203.77631	1.4
209.15320	72.2
227.16365	56.5
380.74695	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.01849	1.9
55.05494	9.1
57.03414	2.6
57.07059	1.2
59.04990	14.1
60.05312	2.6
61.02905	1.2
62.76191	0.9
62.80875	1.1
65.03908	1.3
67.05501	15.4
68.05817	4.7
69.03415	15.2
69.07043	5.5
70.03748	2.0
71.04971	2.8
79.05473	11.1
80.05788	2.3
81.03394	9.2
81.07039	13.7
82.03745	1.3
82.07376	4.9
83.04963	6.1
83.08575	1.3
85.02888	26.6
86.03207	4.6
91.05460	16.0
92.05779	2.5
92.08915	4.2
93.07030	20.4
94.07352	5.6
95.04945	12.4
95.08587	14.3
96.05289	2.2
96.08920	5.0
97.02851	6.4
97.06503	2.7
99.04420	4.7
101.05978	1.3
105.03375	43.1
105.07018	35.2
106.07334	13.8
107.04955	1.7
107.07827	2.3
107.08569	49.7
108.05840	1.2
108.08900	19.5
109.02829	2.3
109.06505	24.3
109.09285	4.6
109.10134	20.0
110.06866	10.9
110.10473	9.9
111.08059	2.5
119.08569	30.0
120.08868	15.5
121.06451	5.4
121.09290	2.4
121.10120	9.7
122.07339	1.5
122.10419	1.8
123.04398	5.3
123.08054	34.8
123.11704	1.6
124.08396	14.9
125.08694	1.6
125.09616	4.8
127.03891	2.8
128.06290	1.4
131.08530	6.2
133.06432	4.3
133.10109	18.7
133.89490	1.0
134.06752	1.2
134.10445	6.1
135.08049	16.7
135.11679	18.1
136.08324	6.8
136.11971	8.0
137.09593	100.0
137.12370	1.9
138.09920	61.4
139.10208	18.8
145.04913	1.4
145.10152	2.1
147.08052	1.7
147.11662	11.4
148.12013	7.9
149.09615	8.2
149.13263	2.2
150.09909	2.2
151.07527	2.3
151.11163	1.7
152.07872	1.8
153.09087	7.4
154.09454	2.4
155.09663	1.5
161.13216	13.2
162.13547	9.9
163.14807	2.5
167.10741	1.1
171.11671	2.3
173.13216	5.7
178.13292	1.8
189.12703	6.0
190.13057	7.5
191.14478	8.0
207.13779	6.4
208.14081	7.3
209.15469	4.8
227.12434	1.6
227.16371	2.5
249.07561	5.4
267.08493	4.3
389.17566	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65214	0.2
53.03931	1.0
55.01865	5.0
55.05490	1.4
57.03427	2.4
57.03648	0.2
57.07048	0.6
61.02917	2.3
65.03925	3.7
67.05497	2.7
68.09982	0.2
69.03407	6.0
69.07053	1.8
71.04970	2.5
73.02898	34.8
74.77677	0.2
75.20896	0.2
79.05473	1.9
81.03397	2.6
81.07042	3.5
82.04176	1.1
83.01328	0.4
83.04963	0.6
83.08593	1.3
85.02886	18.0
85.06527	1.7
87.04429	0.5
91.03923	0.6
91.05451	4.0
92.08686	0.3
92.09160	0.9
93.03375	1.2
93.07028	4.2
95.04943	21.2
95.08568	2.4
97.02863	4.9
97.06508	6.7
99.04430	3.5
99.08063	1.9
100.78797	0.3
101.02401	0.3
101.05978	0.3
103.05429	0.4
105.03334	0.4
105.07006	6.1
107.04942	1.0
107.08566	5.6
108.02074	0.4
109.02863	1.0
109.06498	9.7
109.10143	6.5
110.03644	1.6
111.04417	1.4
111.08056	1.7
115.07543	1.5
117.06955	0.3
119.08553	3.1
121.06483	1.2
121.10109	5.0
123.04401	8.8
123.08029	1.2
123.11674	2.6
125.02319	1.2
125.05947	1.3
125.09618	1.1
125.95898	0.2
127.03869	1.3
127.07488	0.6
131.08536	2.9
133.10104	17.2
135.07993	1.2
135.11690	1.0
138.03113	1.0
139.11159	1.3
140.04659	54.6
142.02586	1.6
145.04834	0.8
145.10091	1.4
147.11664	6.7
149.09584	0.5
149.13213	1.9
151.11162	2.4
153.05452	2.7
153.09067	7.3
155.07001	57.3
158.10841	1.0
163.14754	0.7
165.12680	0.5
166.06216	0.5
167.07034	1.1
167.14215	0.3
169.12221	1.1
171.06465	6.2
171.10144	0.5
173.08095	4.5
173.13210	5.9
179.06953	3.1
181.04921	100.0
182.05280	1.1
191.14278	7.2
205.72952	0.3
209.06056	0.5
209.08060	16.5
209.15340	16.5
227.09099	75.2
227.16360	8.6
228.09496	0.4
389.17709	11.5
389.22693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.4
53.03929	1.4
55.01862	4.8
55.05505	2.5
55.93510	0.4
57.03409	1.7
59.04975	2.6
61.02917	2.5
65.03923	3.4
67.05489	4.0
69.03412	4.6
69.07045	0.8
70.06573	0.4
71.04974	0.7
72.08125	0.6
73.02895	32.0
75.08597	0.3
79.05451	1.9
81.03385	1.9
81.07040	0.8
82.04172	1.9
83.04958	6.1
83.08570	0.5
84.04456	0.3
84.08115	0.5
85.02884	13.4
85.06515	0.5
86.09691	1.4
87.04498	0.4
89.06007	1.4
91.03943	0.6
91.05426	2.3
92.08762	0.6
93.03374	2.2
93.07010	2.2
95.04940	7.2
95.08582	1.9
97.02855	2.8
97.06528	2.6
98.22076	0.3
99.04427	0.8
101.05993	0.7
101.73247	0.3
102.70873	0.3
103.05464	0.6
103.07529	1.8
104.07911	0.4
105.03362	0.7
105.04508	0.5
105.06995	0.9
106.03645	0.3
107.04942	2.3
107.08588	2.8
109.02849	0.5
109.06480	1.4
109.10154	4.0
110.03634	1.6
111.04409	3.0
111.08016	0.7
112.04718	0.7
117.06938	0.3
119.04855	0.4
119.08537	1.7
120.80609	0.3
121.02887	0.4
121.06451	1.2
121.10105	1.9
123.04400	8.8
123.07994	2.4
125.02316	1.4
125.05944	1.7
125.09595	0.6
127.03884	0.8
129.05466	0.5
131.04871	0.7
131.08479	0.4
133.02792	2.0
133.10095	2.7
134.03116	1.3
135.07974	0.8
135.11691	0.5
137.09610	1.8
138.03059	1.4
139.03815	0.7
140.04649	52.8
141.08992	0.5
142.02623	1.8
144.95787	0.4
145.04988	0.5
145.10095	0.4
147.11636	1.5
149.05870	0.4
149.09660	0.6
151.07597	0.4
153.05449	1.6
153.09027	0.4
155.06995	47.5
162.02742	0.4
163.03831	1.3
163.11108	0.5
167.07002	0.8
171.06493	6.8
173.08044	4.5
173.13228	0.6
179.03363	1.6
179.06995	2.6
179.14310	2.7
180.03638	0.7
181.04909	100.0
181.08249	3.9
191.14241	0.4
197.15262	0.5
203.97147	0.7
209.08052	18.0
209.13702	1.1
209.15388	4.9
210.14276	0.4
227.09087	61.6
227.16360	4.2
293.78656	0.4
389.17792	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	389.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.05499	0.6
55.15074	0.4
57.03424	1.0
61.02911	0.5
68.99759	0.4
69.03415	11.0
71.04964	0.5
74.46694	0.4
76.04533	0.4
78.42960	0.4
79.05480	8.7
81.03404	8.3
81.07030	0.9
85.02897	15.0
92.08781	1.2
92.09255	0.5
93.07027	0.9
95.04958	6.6
95.08587	0.7
97.02866	4.9
97.06519	0.9
97.10111	0.5
99.04468	1.5
99.08073	0.5
104.61475	0.4
105.03378	100.0
107.08565	1.7
107.39007	0.4
109.02868	4.6
109.06506	3.1
109.10163	0.9
111.08128	0.5
119.08530	0.6
121.10127	2.0
123.04408	13.1
124.68343	0.4
125.09595	5.5
127.03880	4.8
131.08504	0.7
133.10100	0.9
135.08061	0.7
142.92441	0.4
147.11699	0.6
149.09592	6.5
151.11177	2.2
153.09145	1.1
163.14819	0.6
173.13150	0.8
191.14281	1.9
209.15324	7.2
213.89041	0.5
227.16441	1.1
231.06412	0.8
249.07574	6.0
267.08569	12.7
267.88361	0.5
375.26373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.9
55.01860	4.9
57.03421	1.8
58.51898	0.4
61.02893	2.1
65.03928	4.0
67.05482	2.0
69.03419	4.0
71.04977	0.8
73.02895	33.7
79.05449	1.9
81.03387	2.4
81.07036	0.9
82.04179	0.9
85.02882	15.4
91.05462	0.9
92.13750	0.4
93.03368	0.7
93.06998	1.8
95.04946	10.8
95.08609	0.5
97.02867	3.6
97.06494	2.2
99.04407	2.0
99.08035	0.7
103.05435	0.6
105.06997	2.0
107.04897	0.5
107.08579	2.5
108.02067	0.6
109.02852	0.5
109.06481	2.9
109.10153	3.9
110.03608	1.1
110.83978	0.4
111.04379	0.9
119.08564	0.9
121.06459	0.9
121.10066	1.0
123.04409	8.5
123.11692	0.6
123.60688	0.5
125.02326	0.9
125.05942	1.9
127.03899	0.9
133.10118	7.5
135.08051	0.5
137.05859	0.5
140.04652	54.2
142.02591	1.8
147.11664	1.7
149.13170	0.7
151.11185	0.5
153.05383	3.3
153.09094	1.7
155.06993	46.2
166.06187	0.9
171.06491	6.8
173.08086	3.5
173.13228	2.3
179.07010	2.8
181.04915	100.0
191.14258	2.8
209.08044	15.1
209.15363	4.2
227.09094	66.4
227.16432	0.9
314.84680	0.4
379.59183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.6
53.03718	0.5
53.03939	7.6
55.01849	0.6
55.05499	0.5
56.96552	0.6
57.03415	2.1
63.88654	0.4
69.03411	6.6
69.97570	0.4
70.07574	0.4
71.04991	0.4
71.95706	0.4
72.94607	0.4
73.02885	0.6
79.05466	6.9
81.03397	19.6
81.07049	0.8
85.02886	6.3
91.05479	0.8
92.09007	3.8
93.07036	0.9
95.04944	10.1
95.08601	0.6
97.02863	9.7
99.04433	2.9
105.03374	100.0
105.04527	3.7
105.06970	0.6
107.04903	0.5
107.08568	0.7
109.02866	8.5
123.04406	5.6
127.03876	3.3
145.02817	1.0
145.04944	0.8
147.04401	0.8
177.05525	0.7
180.92004	0.5
249.05307	0.6
249.07530	16.5
259.75247	0.6
267.08554	2.1
280.75092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86303	0.5
53.03928	0.9
54.81432	0.8
55.01834	0.6
55.05497	3.4
57.03415	0.4
57.07062	2.7
61.01136	2.0
61.02885	0.7
67.05486	3.6
69.03417	5.9
69.07048	4.5
70.06575	19.9
70.09642	0.5
70.50574	0.5
71.04967	0.7
72.08128	0.8
78.97115	0.4
79.05476	8.0
81.03394	2.1
81.07055	4.8
83.04945	0.7
83.08588	0.8
84.08121	3.7
85.02897	7.4
85.06517	0.9
86.59426	0.5
91.05463	18.0
93.07031	8.4
95.04935	2.4
95.08578	4.0
97.02871	3.0
99.04430	3.7
101.02318	0.5
103.05471	1.0
105.03380	8.4
105.07005	21.3
106.03718	0.6
106.21693	0.5
106.33453	0.7
107.08584	22.6
109.02886	1.0
109.06522	2.9
109.10128	1.2
111.83723	0.5
115.05434	2.2
116.06227	2.2
117.06980	12.0
118.06855	6.0
119.07282	0.7
119.08565	25.1
121.06463	0.9
121.10120	26.6
122.10351	0.5
123.08073	1.2
124.94000	0.5
127.03902	3.2
128.06197	0.9
129.06976	9.6
129.10223	0.9
130.06508	2.0
130.07745	3.4
131.08542	35.3
132.09276	0.7
133.10107	12.3
135.08035	6.5
135.11674	1.9
137.09607	0.6
142.07817	0.8
143.08537	18.9
144.09315	9.2
145.04948	2.1
145.10107	26.3
147.11670	12.6
149.05940	2.8
149.09598	4.3
149.13242	15.3
156.09323	1.0
157.10161	0.7
158.10880	22.5
159.09146	0.8
171.11717	1.3
173.13223	30.4
175.14763	8.9
175.79478	0.6
181.11504	0.6
191.14273	100.0
192.14500	0.6
209.15382	2.1
227.16510	1.9
267.08429	0.6
268.08722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86303	0.5
53.03928	0.9
54.81432	0.8
55.01834	0.6
55.05497	3.4
57.03415	0.4
57.07062	2.7
61.01136	2.0
61.02885	0.7
67.05486	3.6
69.03417	5.9
69.07048	4.5
70.06575	19.9
70.09642	0.5
70.50574	0.5
71.04967	0.7
72.08128	0.8
78.97115	0.4
79.05476	8.0
81.03394	2.1
81.07055	4.8
83.04945	0.7
83.08588	0.8
84.08121	3.7
85.02897	7.4
85.06517	0.9
86.59426	0.5
91.05463	18.0
93.07031	8.4
95.04935	2.4
95.08578	4.0
97.02871	3.0
99.04430	3.7
101.02318	0.5
103.05471	1.0
105.03380	8.4
105.07005	21.3
106.03718	0.6
106.21693	0.5
106.33453	0.7
107.08584	22.6
109.02886	1.0
109.06522	2.9
109.10128	1.2
111.83723	0.5
115.05434	2.2
116.06227	2.2
117.06980	12.0
118.06855	6.0
119.07282	0.7
119.08565	25.1
121.06463	0.9
121.10120	26.6
122.10351	0.5
123.08073	1.2
124.94000	0.5
127.03902	3.2
128.06197	0.9
129.06976	9.6
129.10223	0.9
130.06508	2.0
130.07745	3.4
131.08542	35.3
132.09276	0.7
133.10107	12.3
135.08035	6.5
135.11674	1.9
137.09607	0.6
142.07817	0.8
143.08537	18.9
144.09315	9.2
145.04948	2.1
145.10107	26.3
147.11670	12.6
149.05940	2.8
149.09598	4.3
149.13242	15.3
156.09323	1.0
157.10161	0.7
158.10880	22.5
159.09146	0.8
171.11717	1.3
173.13223	30.4
175.14763	8.9
175.79478	0.6
181.11504	0.6
191.14273	100.0
192.14500	0.6
209.15382	2.1
227.16510	1.9
267.08429	0.6
268.08722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01859	0.5
55.05504	3.9
57.03418	0.7
57.07053	1.3
59.04987	1.9
65.03923	2.2
67.05495	3.5
69.03411	1.6
69.07053	16.2
71.04976	9.2
77.90977	0.4
79.05470	7.5
81.07037	28.5
83.04968	0.6
83.08601	4.1
85.02879	4.0
85.06533	5.3
91.03951	0.3
91.05459	7.3
92.09096	0.8
93.03339	0.5
93.07021	22.6
95.04935	2.4
95.07999	0.7
95.08584	17.0
96.55183	0.4
97.02884	0.6
97.06519	7.9
105.03381	1.4
105.07009	17.6
107.08575	52.8
109.06506	17.4
109.10134	4.6
110.03642	0.8
111.04414	2.0
111.08076	3.5
115.05444	0.6
117.06987	2.3
119.08562	17.8
121.02841	0.9
121.06474	1.8
121.10126	32.1
123.04414	0.6
123.08020	3.1
125.05962	1.6
129.06978	0.8
131.08542	14.7
133.10104	64.0
135.07048	0.7
135.08023	11.7
135.11661	6.5
137.08560	0.4
137.09604	1.7
141.17717	0.3
143.08521	0.8
144.09328	0.7
145.10101	7.1
147.07971	0.4
147.11658	18.7
148.12427	0.6
149.09575	2.4
149.13232	11.4
153.05429	1.6
158.10872	4.5
161.13184	0.6
163.14786	100.0
167.06981	0.4
173.11998	0.4
173.13220	18.1
191.14272	88.6
194.16229	0.4
209.15193	0.8
227.06831	0.5
252.07867	0.5
253.08437	0.8
268.06989	0.4
283.09561	0.7
309.11029	0.6
313.10681	0.8
327.12213	3.4
359.14786	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	388.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51121	0.8
54.74101	0.8
54.81782	0.8
55.05502	2.3
57.07061	2.5
57.47301	0.8
58.74817	0.9
59.25251	0.9
61.02906	1.5
67.05490	5.8
69.03413	93.1
69.07047	7.4
71.04948	1.6
73.02901	1.0
79.05477	1.6
81.03416	1.4
81.07025	7.9
83.04961	2.1
83.08622	1.2
85.02882	17.5
85.06528	4.1
89.68705	0.9
91.05472	4.5
92.09129	4.9
93.07012	5.3
95.08576	15.7
97.02882	4.7
97.06497	7.7
105.07010	5.2
107.08566	24.3
109.06506	12.8
109.10149	5.6
111.08076	1.6
112.64914	1.0
113.58244	1.1
119.08571	5.3
121.06481	4.1
121.10107	17.2
121.28218	1.1
123.08039	6.7
123.11684	6.9
125.09601	43.9
131.08514	10.5
133.10098	9.4
135.08022	19.7
135.11665	7.2
145.04971	1.5
145.10086	5.5
147.11670	2.5
149.09607	12.9
149.13226	5.9
153.09097	12.6
158.10884	5.5
161.09605	1.3
163.11198	2.0
163.14818	4.2
165.12718	6.9
173.13203	35.4
173.14548	1.9
191.14265	100.0
197.07312	1.2
209.15327	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
54.11086	0.4
54.81889	0.4
55.01870	0.9
55.05507	1.9
57.07069	3.3
58.67544	0.4
58.91862	0.4
61.02930	0.6
67.05499	4.1
69.03414	1.8
69.07056	9.6
71.04992	0.7
79.05474	4.4
81.03397	1.0
81.07042	21.8
83.04996	0.5
83.08612	2.2
85.02898	3.7
85.06549	2.1
88.75126	0.4
91.05476	3.3
92.08585	0.8
92.09212	2.9
93.07024	9.1
95.04943	0.5
95.08589	8.3
97.02859	0.8
97.06512	6.1
103.60724	0.5
105.03369	2.3
105.07027	7.6
107.08580	17.0
109.02856	0.5
109.06512	4.1
109.10149	6.9
109.10847	0.7
117.06988	0.6
119.08570	3.4
121.06474	2.2
121.10131	16.8
123.08038	9.8
123.11689	88.8
131.08539	6.8
133.10112	31.4
135.08041	10.9
135.11682	4.8
137.09605	1.9
143.08522	0.6
145.10115	2.7
147.11694	1.1
149.09653	0.9
149.13235	1.1
157.01550	0.5
158.10887	2.1
163.14789	8.2
173.13231	13.9
191.14285	100.0
209.15274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.5
55.01860	0.7
55.90970	0.3
57.03418	1.7
61.02919	0.8
65.19448	0.3
69.03416	11.4
70.22241	0.3
71.04969	1.6
71.34094	0.3
73.02888	0.8
79.05481	5.5
80.05799	0.3
81.03396	22.5
82.03723	0.4
83.70132	0.3
84.92094	0.3
85.02885	19.3
85.06501	0.8
87.00807	5.1
91.03894	0.4
91.05458	2.1
92.09115	0.5
95.04940	4.7
97.02867	11.3
99.04440	3.7
105.01925	3.2
105.03370	100.0
105.07002	0.9
106.03706	4.9
107.08591	0.5
109.02856	11.4
110.03291	0.4
111.47563	0.4
121.10148	0.5
123.04394	7.2
127.03881	9.9
131.08606	0.5
133.10095	4.6
135.08026	0.8
137.09602	2.4
145.04909	3.6
157.44379	0.4
159.02873	0.7
164.65500	0.4
191.14313	0.6
209.11777	1.5
209.15265	0.5
214.74658	0.4
231.04993	0.9
249.05165	0.6
249.07553	18.4
267.08566	10.6
268.08890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.01859	2.5
57.03426	5.9
59.04988	10.2
61.02913	11.7
62.95497	0.5
65.03924	0.5
67.05493	0.8
68.51723	0.4
68.99758	0.6
69.03416	21.4
71.04987	3.9
73.02901	6.7
81.03399	7.9
82.07770	0.4
83.04958	3.8
83.06147	0.6
84.08147	0.7
85.02890	100.0
86.03217	0.9
87.04450	16.8
89.06012	5.9
91.03944	6.3
92.09023	2.6
93.03386	0.7
95.04995	0.6
97.02872	24.3
98.97588	0.7
99.04445	4.4
101.02421	0.6
103.03934	0.5
104.93515	0.5
105.05502	5.9
107.05005	0.5
109.02863	11.4
111.04416	3.8
115.03897	1.1
121.02834	4.3
121.06455	3.6
127.03890	25.5
127.04821	1.0
129.05447	0.6
135.06474	0.5
136.06171	1.1
137.02316	16.8
139.03894	0.7
142.03220	0.8
145.04933	36.9
149.02336	8.9
161.02321	1.1
163.05980	16.1
179.03421	3.9
197.04372	0.6
209.10207	2.9
222.07951	0.5
231.08615	1.9
249.09669	2.0
276.61740	0.5
300.45938	0.5
306.70981	0.5
335.13315	0.6
353.08524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81636	7.5
55.02887	7.3
55.05484	9.9
56.03873	8.4
56.62931	9.5
64.92718	8.1
66.11259	6.9
66.97915	8.2
67.05479	12.0
69.07066	10.0
80.22669	7.5
81.07043	38.8
81.92325	7.3
83.01087	14.5
90.84704	7.9
91.05398	9.6
92.08780	13.1
93.07034	40.0
95.08577	39.6
102.34162	7.9
105.07018	19.8
109.02644	16.0
119.08599	14.4
120.11044	8.1
121.10157	13.7
133.10103	13.9
141.21510	9.0
189.64574	9.8
227.13962	73.7
241.15628	13.7
243.05861	10.7
287.16110	100.0
323.31012	8.3
365.93915	8.8
387.20993	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.8
55.01865	2.1
57.03427	10.0
59.04979	1.6
61.01139	1.6
61.02916	2.1
65.50252	0.9
67.05463	1.3
67.39374	0.9
69.03413	57.1
70.06579	21.4
71.01328	2.0
71.04982	16.7
73.02908	1.2
79.05473	7.7
80.05791	1.0
81.03400	44.0
81.07034	1.8
82.03735	1.0
83.01311	2.3
83.04987	1.1
84.08135	2.1
85.02892	70.9
85.06525	1.5
85.07904	1.0
86.03246	1.2
87.00808	38.7
87.04452	8.9
91.05451	4.5
92.08863	5.7
93.06991	2.0
95.04950	5.1
95.08628	1.2
97.02869	100.0
98.03257	1.2
99.04434	29.6
101.02351	2.2
103.51218	1.0
105.01864	19.8
105.03372	61.8
105.07005	19.9
106.03709	17.3
107.08573	7.3
109.02861	18.5
109.06505	2.3
115.03901	1.8
117.07013	1.5
118.06837	5.6
119.08582	9.7
121.10139	5.2
123.04409	7.3
124.04747	2.0
127.03891	80.0
129.07021	2.5
130.06514	1.4
130.07707	1.3
131.08537	10.2
133.10153	3.6
135.08046	1.9
143.08601	5.6
145.04936	48.3
145.10127	6.6
147.11690	4.3
149.05939	4.8
149.13277	2.0
158.10902	6.4
159.09215	1.6
165.09082	5.9
166.09505	1.7
171.02870	1.4
173.13246	6.8
188.23119	1.1
191.06944	3.9
191.14258	25.6
209.15404	1.4
213.03946	1.3
218.55661	1.0
225.64641	1.1
231.04929	38.4
249.05864	23.4
267.08572	4.6
268.08829	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	387.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
54.63050	0.4
55.01860	0.6
55.05502	4.3
57.03415	2.6
59.04719	0.4
59.04988	8.4
61.02901	0.6
65.03918	0.7
67.05489	10.4
68.95980	0.4
69.03412	5.4
69.07051	3.0
71.04967	1.0
72.64723	0.4
73.02898	0.8
79.05473	5.5
81.03393	2.4
81.07034	6.5
83.04952	2.1
85.02886	10.3
91.05466	9.5
92.09079	0.6
93.07011	10.4
94.94309	0.4
95.04951	6.5
95.08587	6.3
97.02859	2.2
97.06520	0.9
97.47395	0.5
101.05986	1.9
103.05513	0.5
105.07010	23.6
107.04916	1.1
107.08572	34.9
108.05692	0.5
109.02864	0.5
109.06499	20.4
109.10132	15.8
111.04452	0.5
111.08047	1.0
117.06982	0.9
119.05946	0.7
119.08559	19.0
121.06464	3.7
121.10136	3.7
122.07247	3.7
123.08037	27.3
125.05985	0.6
125.09583	0.8
127.03895	1.8
129.06923	0.5
131.08517	2.6
133.06474	2.4
133.07553	0.9
133.10100	4.2
135.08034	10.5
135.11652	14.9
137.09589	100.0
139.07498	0.5
143.08554	1.0
145.04942	0.8
145.10072	0.9
147.08003	2.3
147.11647	9.7
149.09598	5.4
151.07484	3.4
151.14861	0.5
151.59122	0.5
153.09062	5.3
154.36600	0.5
156.09303	1.0
158.25398	0.4
159.11682	1.9
161.09561	0.7
161.13213	11.0
163.11212	0.7
171.11678	2.4
174.10277	0.5
177.12700	0.7
179.14102	0.6
189.12680	6.7
207.13774	7.6
225.14822	2.6
280.35873	0.4
297.48883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2009
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
55.01849	0.4
55.05501	3.7
56.14922	0.3
57.03432	0.4
57.07066	5.0
59.04978	0.5
59.72028	0.4
60.39244	0.3
61.02911	0.4
64.78205	0.4
65.03917	0.8
67.05489	22.6
67.05849	0.7
69.03411	3.1
69.07049	1.8
71.04983	0.5
79.05474	1.6
81.03397	0.5
81.07028	3.8
83.04967	1.8
85.02888	4.3
85.06530	10.9
91.05469	3.0
92.09255	1.0
93.07021	9.6
95.04958	3.0
95.08580	100.0
97.02856	0.6
97.06496	0.5
105.07004	6.6
107.08579	10.0
109.06502	2.0
109.10159	3.3
111.08115	0.5
113.05981	7.0
116.06172	0.5
119.07710	0.7
119.08557	17.5
121.06467	1.6
121.10096	7.3
123.04424	0.4
123.08038	25.2
123.11659	3.3
131.08527	1.9
133.10123	3.0
135.08061	0.9
135.11670	10.5
137.09599	2.2
137.13202	0.5
145.10043	0.5
147.08032	1.8
147.11681	4.7
149.09586	23.3
151.07581	0.6
151.14825	1.7
156.09395	0.4
161.09621	0.6
161.13205	8.5
163.11160	3.5
165.09148	0.5
165.12717	5.8
171.11671	1.5
174.10376	2.0
179.14299	2.2
189.12700	9.0
207.13756	33.9
225.14803	0.8
264.67789	0.4
275.39386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29274	0.5
53.03945	0.7
55.01859	1.1
55.05495	3.4
57.03429	1.0
59.04715	0.8
59.04990	14.0
65.19540	0.5
66.86572	0.5
67.05491	9.8
67.15966	0.5
69.03416	9.6
69.07061	2.3
71.04965	0.9
79.05476	4.7
81.03405	3.0
81.07045	5.2
83.04960	2.4
85.02892	10.0
90.49395	0.6
91.05460	8.3
92.08791	1.3
93.07013	9.5
95.04935	7.1
95.08571	5.8
96.41079	0.5
97.02901	1.0
97.06501	0.7
101.05990	2.5
105.07013	20.4
107.04941	0.8
107.08573	33.3
109.02883	0.6
109.06506	19.7
109.10142	16.3
111.04401	0.6
111.08042	1.2
117.07002	1.0
119.06058	0.6
119.08557	15.7
119.09897	0.6
121.06523	4.4
121.10127	4.3
122.07273	3.1
123.08039	24.2
125.05991	0.9
125.09618	1.2
127.03845	0.7
131.08531	1.1
133.06546	0.9
133.10101	8.3
135.08043	9.6
135.11670	7.3
137.09592	100.0
139.11174	1.2
143.08607	0.7
145.10133	0.9
147.08066	1.4
147.11644	8.5
149.09590	5.0
151.07513	2.6
153.09059	6.0
156.09357	1.4
159.11632	1.0
161.13240	7.6
163.11209	2.5
171.11697	3.6
171.44688	0.5
174.10326	0.8
177.12718	2.3
189.12703	8.0
200.42441	0.7
207.13753	11.8
225.14827	3.9
251.11380	0.6
253.63297	0.6
294.44690	0.5
317.55551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.3
57.07063	2.4
61.02909	0.7
67.05467	5.1
69.03411	3.3
69.07047	1.4
71.04998	0.6
72.08123	0.7
75.88114	0.6
79.05463	4.6
81.07037	23.9
85.02883	100.0
91.05466	4.4
92.08800	1.2
92.09289	0.8
93.07001	5.4
93.37295	0.6
95.04940	0.6
95.08566	6.8
97.02868	1.2
105.04508	0.5
105.06997	11.1
107.07921	0.6
107.08559	5.4
109.02899	0.6
109.06514	4.5
109.10126	9.5
111.04423	0.7
117.06970	1.3
119.08569	15.7
121.10112	10.7
123.08060	2.5
123.11677	77.3
125.05987	8.7
130.07750	0.8
131.08582	2.0
133.06442	2.5
133.10065	0.7
135.08095	0.6
137.09592	0.7
143.08539	1.2
145.02797	0.6
145.06462	0.8
145.10075	4.4
146.10707	0.6
147.08018	3.3
147.11673	12.2
149.09573	8.1
151.07471	2.5
156.09322	3.1
159.11604	0.6
161.13257	1.0
163.03755	0.7
165.12717	1.2
189.12694	12.3
190.13011	1.4
207.13760	28.7
225.14828	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	387.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
52.31093	0.3
53.03940	3.4
53.72432	0.3
55.01860	0.3
55.05490	2.1
57.03436	2.8
57.07054	0.4
61.02911	1.6
64.21481	0.4
67.05486	3.5
69.03415	19.1
69.07050	2.6
69.39349	0.4
71.04984	1.3
77.03922	0.4
79.05476	13.7
81.03394	9.9
81.07034	5.1
83.04976	2.6
83.08597	0.4
85.02890	21.1
85.06528	4.2
89.81261	0.4
91.05463	3.0
92.09074	0.4
93.07024	4.6
95.04946	7.0
95.08575	6.2
97.02860	5.0
97.06498	2.1
99.04433	2.0
103.07554	0.8
105.03374	100.0
105.07009	10.4
107.04939	0.6
107.08557	4.8
109.02874	5.2
109.06495	4.1
109.10160	2.9
111.08104	0.7
117.06998	0.5
119.08556	10.5
121.06548	0.7
121.08636	0.4
121.10117	5.9
123.04408	17.9
123.08051	4.3
125.09617	6.5
127.03897	4.9
129.06844	0.3
131.08548	1.8
133.06490	2.5
133.10110	8.9
135.08012	1.7
135.11681	2.5
135.16861	0.3
137.05948	5.4
137.09587	7.8
137.13182	0.4
139.11174	3.2
143.08554	0.8
145.04947	0.7
145.10049	3.4
145.72530	0.4
147.08029	1.8
147.11659	6.5
149.09583	6.2
151.07532	1.8
151.11195	0.4
156.09331	1.8
159.08054	0.7
159.11670	1.9
160.08850	0.4
161.13223	5.4
163.11188	2.5
165.09091	0.8
165.12726	2.2
171.11679	2.3
174.10385	2.1
177.12701	0.7
179.14255	0.9
189.12733	6.8
198.42702	0.4
207.13773	22.7
211.27036	0.4
215.45833	0.4
225.14784	5.7
231.06604	0.5
249.07533	5.0
264.86774	0.4
267.08572	14.3
272.30969	0.4
299.91318	0.4
324.56183	0.4
387.19980	0.8
410.17465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.2
57.03421	5.1
61.02902	4.5
67.66243	1.0
69.03414	15.7
70.06564	1.5
72.08109	2.0
73.02895	6.4
77.00916	1.2
80.71804	1.0
81.03384	1.8
82.99818	1.3
84.04505	2.2
85.02417	1.7
85.02888	27.9
87.04440	2.0
92.08726	1.6
92.09196	2.2
92.64980	1.0
97.02853	10.7
98.97543	1.4
99.04436	1.7
101.00854	19.7
101.02409	1.0
103.00505	1.4
109.02865	1.4
110.05961	1.0
113.01767	1.0
115.03928	1.2
116.07059	1.2
119.01055	2.4
119.01893	60.2
120.01987	1.5
121.01636	1.5
124.33827	0.9
126.05432	1.2
127.03896	8.1
129.03082	2.2
131.01863	2.2
133.03441	6.7
137.02917	7.6
138.05453	1.3
139.02319	3.9
143.01863	10.1
143.02797	1.2
145.01697	1.3
145.03442	19.6
145.04938	2.5
146.05989	24.5
148.05981	1.1
148.54910	1.5
156.03531	2.1
157.03447	50.2
159.03223	4.9
161.02876	12.9
163.04459	5.2
175.04491	29.0
177.20905	1.2
181.05479	1.8
189.00615	1.3
193.56383	1.5
201.05240	1.3
201.55316	1.2
205.05411	8.4
205.07040	26.0
207.01781	2.0
208.06238	1.3
215.05009	1.6
223.06592	67.7
224.06776	5.6
225.06392	6.2
237.22256	1.1
239.04262	1.3
241.07631	27.3
242.07841	2.1
243.07643	2.0
265.07617	22.0
266.07813	6.8
267.07382	9.7
279.09232	12.3
387.13364	100.0
413.14651	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	30.8
63.02155	7.3
65.36353	6.7
65.69635	9.3
67.05486	68.0
69.03453	6.9
69.07072	19.0
73.37866	7.2
75.72076	6.4
79.05479	82.2
81.07040	51.5
83.08584	10.5
91.05470	77.2
92.08792	35.1
92.09312	10.2
93.07025	100.0
95.04927	12.2
95.08585	42.9
105.06995	92.8
107.08582	48.8
109.10147	28.8
117.07028	12.0
118.08612	6.7
119.08552	60.6
121.10155	31.0
123.08051	7.0
123.72004	7.0
129.07033	16.3
131.08553	34.1
133.10129	50.1
135.08104	7.7
135.11687	11.8
140.47839	7.1
143.05937	7.2
143.08553	13.6
145.10126	17.9
147.04384	8.4
147.11714	37.8
159.11630	8.1
161.13248	15.1
175.14714	9.1
241.19511	14.2
259.20551	49.9
351.25372	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99840	0.6
70.24966	0.3
77.00891	1.7
82.99804	0.6
85.02889	0.7
89.00874	0.8
90.29919	0.3
92.08874	0.5
92.63196	0.3
97.02872	0.3
101.00869	16.5
103.02381	0.4
113.00835	0.4
115.02410	2.6
117.03978	0.6
118.08652	1.5
119.01903	48.4
127.02402	2.3
129.19672	0.3
131.01889	1.3
133.03459	5.0
136.45532	0.3
137.02943	5.9
139.02338	4.1
143.01892	7.9
145.03445	16.6
145.04596	0.6
147.05002	0.4
151.04529	0.4
157.03445	50.0
161.02931	10.4
163.04482	4.3
168.43402	0.4
171.04976	1.2
175.04494	22.6
175.06030	0.8
177.66403	0.3
181.05550	4.0
187.04453	0.7
189.06126	0.6
195.28119	0.4
205.05417	7.8
205.06866	16.7
223.06601	50.6
224.06670	0.8
225.06317	1.4
241.07649	17.9
265.07642	13.0
266.07831	0.6
267.07416	0.7
270.15625	0.4
277.07626	1.5
279.09186	12.5
387.13406	100.0
388.13623	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81540	2.0
53.03920	3.9
55.05502	27.3
57.03425	3.8
57.07063	4.7
60.21337	2.0
65.03945	1.9
65.44615	2.0
67.05489	52.9
69.07065	17.8
69.41859	2.4
71.20816	2.1
79.05047	4.0
79.05476	73.5
81.00030	2.6
81.07030	54.1
83.08576	2.8
85.41573	2.1
91.05455	81.3
92.09191	12.3
93.07018	100.0
95.04942	6.1
95.08066	3.6
95.08588	43.6
97.06497	3.4
105.07008	91.0
107.04874	2.4
107.08559	46.2
109.06535	3.1
109.10147	15.7
117.07021	23.9
119.08549	68.6
121.10111	27.4
123.11815	2.8
129.06984	15.4
131.08536	29.9
133.10100	57.0
135.11682	24.9
142.07761	2.4
143.08531	15.2
145.10049	20.8
147.11665	51.0
149.13214	16.3
157.10085	11.9
159.11682	19.0
161.13162	18.3
163.14754	3.2
171.11652	12.5
173.13168	4.4
173.29227	2.8
175.14752	10.5
185.13216	11.8
199.14613	2.8
231.21033	3.3
232.22798	2.7
241.19475	20.9
243.08679	2.3
259.20502	64.7
264.37891	2.9
277.21231	3.1
294.21494	4.5
307.78656	2.6
351.25174	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01860	0.7
55.05503	10.2
57.03415	3.0
57.07067	22.8
57.46608	0.6
61.02918	4.7
63.04461	1.2
69.03428	8.4
73.02874	1.1
73.06543	2.9
78.44064	0.6
78.79790	0.6
79.05482	0.9
81.03407	4.3
83.08597	4.3
85.02894	29.0
89.06015	100.0
91.03923	1.1
91.05445	1.2
92.08796	3.6
93.26007	0.5
93.87466	0.7
97.02867	8.6
99.04420	1.4
101.09631	15.7
105.03375	8.0
107.07040	3.6
109.02864	2.3
123.04373	0.7
124.03908	0.8
127.03884	3.3
133.08583	17.6
138.44733	0.7
145.04953	1.3
145.12209	7.8
151.09645	21.8
165.09138	0.8
207.15894	86.5
267.08789	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.7
55.01872	5.0
55.05502	44.7
56.96553	3.8
57.03227	2.3
57.03433	39.0
67.05487	73.7
69.07053	26.8
71.04965	3.4
79.05473	87.1
79.46712	3.5
81.07037	94.4
83.04971	4.9
83.08596	15.3
85.06532	7.0
91.05458	71.8
93.07012	100.0
95.04958	6.2
95.08587	71.2
97.06495	4.9
97.10175	4.4
105.06998	70.8
107.08573	54.9
109.06499	4.4
109.10148	29.2
111.08066	7.2
117.07031	23.8
119.08556	53.0
121.06474	4.6
121.10104	39.3
123.08088	4.0
129.07018	5.1
131.08528	35.5
133.10106	41.0
135.07991	3.6
135.11652	18.5
137.09528	3.4
143.08537	16.2
144.75887	3.4
145.10123	20.9
147.11662	29.1
149.13252	14.4
157.10078	6.2
159.11659	22.5
161.13202	18.3
171.11629	5.1
173.13235	5.1
175.14857	5.7
176.72437	3.5
187.14738	6.7
241.19402	6.8
259.20432	32.2
277.21622	16.8
351.25208	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	386.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01868	1.4
57.03427	31.4
59.04995	6.7
60.04493	1.0
61.02906	4.7
62.49235	0.7
69.03415	76.4
71.04957	1.0
73.02906	4.4
75.04462	3.1
75.70316	0.7
81.03408	4.5
81.87691	0.7
83.04973	1.0
85.02889	100.0
87.04447	49.3
90.87400	0.7
91.03929	4.6
92.08997	7.7
97.02869	59.0
98.83627	0.9
99.04433	1.6
103.03889	1.1
109.02877	4.9
115.03910	51.6
122.83488	0.7
127.03878	12.9
133.04942	49.7
145.04933	21.8
150.07597	6.0
163.05998	12.2
237.13344	2.9
259.08066	3.9
265.84848	0.8
277.09219	1.0
295.10242	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.7
53.03927	0.8
55.01852	2.4
55.05499	1.0
57.03427	27.0
57.07065	0.7
59.04993	6.3
60.04503	0.8
61.02905	4.9
69.03413	77.0
69.07035	0.4
71.01337	0.6
71.04987	1.8
73.02895	3.8
75.04462	2.4
81.03396	6.2
83.04982	0.7
85.02886	100.0
86.03220	0.6
87.04449	47.0
91.03939	3.7
91.05457	0.7
92.08854	1.0
93.07011	0.7
95.04984	1.6
95.69852	0.5
97.02866	56.1
99.04407	4.7
103.03944	0.9
105.14818	0.5
107.08616	0.7
109.02857	5.6
115.03905	46.9
119.04913	1.2
127.03887	16.1
133.04935	44.6
144.13309	0.5
145.04938	23.0
147.04420	2.9
150.07574	4.1
153.12764	0.6
163.05977	11.2
169.04968	1.0
175.03844	0.5
225.98857	0.5
237.13295	3.7
241.06953	1.2
259.08115	2.4
269.96326	0.5
277.09024	0.8
295.10294	2.4
399.07785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01867	3.7
55.05489	0.3
57.03426	8.1
57.07060	1.8
59.04988	0.8
61.02914	12.8
65.27342	0.3
67.05493	2.0
69.03413	22.2
71.04967	3.2
73.02901	5.4
77.03853	0.4
78.63684	0.3
79.05471	35.8
81.03395	10.9
81.07031	0.8
82.42079	0.3
83.01325	1.4
83.04975	0.7
84.65091	0.3
85.02886	100.0
85.06522	30.0
87.04443	3.5
91.03925	4.9
91.05428	0.4
93.06998	0.4
95.04925	3.4
97.02864	25.6
97.06525	0.5
99.04423	4.9
101.02341	0.6
103.03921	1.2
105.03368	38.4
105.06981	0.6
109.02873	9.3
109.06490	0.7
115.03909	1.8
121.06482	1.4
123.04398	86.5
127.03879	19.7
127.97696	0.3
135.08018	0.5
145.04933	29.0
147.07990	0.7
151.07527	0.5
163.05994	8.2
165.09129	0.5
187.26157	0.3
189.09039	4.1
211.09615	0.3
229.10602	2.2
242.72768	0.4
265.14893	0.3
285.09576	1.3
383.88123	0.3
405.04892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.2
51.88490	0.1
53.03937	3.8
54.49295	0.1
55.01857	0.2
57.03423	1.2
61.02909	0.2
69.03409	6.3
71.04967	0.9
71.83124	0.2
73.02891	0.3
77.03894	0.6
77.97707	0.1
79.05466	5.1
81.03395	15.2
85.02883	7.5
92.08871	0.2
95.04945	4.9
97.02253	0.3
97.02863	7.7
99.04433	2.1
105.03368	100.0
109.02859	8.8
110.03648	0.1
123.04395	9.7
127.03887	4.8
145.04990	1.3
234.20201	0.2
249.07518	18.9
267.08557	13.0
267.11469	0.2
334.08432	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1279
Annotation	Gliocladin C
Peak:m/z	Relative Intensity
51.13840	0.6
52.87383	0.5
55.01884	2.3
55.05502	1.7
57.03421	1.1
65.03929	1.7
67.05486	3.6
69.03418	1.2
69.52717	0.6
69.69012	0.8
75.76778	0.9
79.05450	2.6
81.03387	1.2
81.07024	5.1
83.04960	1.2
85.02890	1.1
91.05475	4.3
92.08772	1.0
92.09259	0.8
93.03388	1.2
93.07021	4.8
95.04961	1.6
95.08588	5.1
97.06528	0.8
105.03369	1.2
105.07015	5.7
107.04955	1.0
107.08568	1.5
109.02847	0.8
109.06494	1.4
109.10159	1.1
110.03662	1.4
111.04443	2.7
115.05435	2.9
117.07028	0.9
119.08583	2.6
121.02841	1.7
123.04431	0.7
125.05984	1.6
128.06203	0.8
129.07018	1.2
131.08551	1.5
133.10101	1.3
135.08098	1.1
137.05971	3.9
145.06461	0.9
145.10088	1.3
149.13344	0.8
151.03954	1.0
152.06242	1.5
153.05469	3.9
153.06857	1.2
158.07268	0.7
159.08002	0.9
161.05896	0.7
165.06937	8.4
166.07771	1.5
167.08546	3.3
168.05820	0.9
177.05519	0.9
177.06978	1.1
178.07719	5.5
179.08533	5.6
180.09303	1.2
181.06464	3.3
182.07385	1.5
183.07898	1.0
189.06947	3.3
190.07803	4.3
191.08566	5.4
193.06419	3.0
194.07265	3.8
195.08009	6.4
196.05096	0.9
197.06058	0.9
198.21773	0.7
202.07747	1.7
203.08548	1.5
205.06480	6.8
206.07262	3.6
207.08057	8.1
208.05270	1.4
208.08884	3.1
209.05891	1.6
209.09554	1.5
210.06696	1.1
211.07468	5.0
213.09055	1.2
218.07274	5.3
219.08028	9.7
220.08897	3.5
221.06012	6.9
221.09627	3.2
222.06738	6.4
223.07530	6.6
224.04712	0.9
224.08295	4.0
225.09116	4.1
226.06091	1.0
227.06973	1.3
231.08080	1.7
232.08835	1.0
233.06009	1.1
233.09541	1.4
234.06772	4.9
235.07518	12.0
236.08295	3.4
237.05469	1.5
237.09172	5.0
238.06209	2.4
238.09929	1.0
239.07034	6.2
239.10655	1.1
240.07802	1.5
241.08441	1.6
246.06721	2.7
247.07552	4.7
248.08347	4.3
249.05470	3.8
249.09082	7.9
250.06123	3.5
250.09814	3.1
251.07013	7.7
251.10587	1.4
252.07759	4.3
253.08525	7.4
254.09357	1.7
255.10118	1.6
261.05307	0.8
261.09094	1.1
262.06189	1.1
263.07043	7.7
263.10434	1.2
264.07651	6.7
265.08569	10.0
266.09277	1.1
267.06461	1.2
267.10159	7.4
269.08145	1.3
269.11685	0.9
275.06973	1.6
276.07718	1.0
277.08530	5.2
278.09384	3.6
279.06552	3.0
279.10150	8.3
280.07309	1.2
281.08087	6.5
282.08859	3.6
283.09500	1.4
291.06525	0.9
291.09927	0.9
292.07196	1.5
293.08115	1.7
293.11874	1.1
294.08902	1.2
295.09589	5.2
297.11203	1.7
299.09003	1.1
306.08896	0.9
307.09589	32.9
309.11069	4.8
311.09012	1.1
313.10681	1.8
323.09119	6.5
325.10638	6.6
337.10669	1.4
339.12173	2.7
357.12994	1.4
385.12750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60638	0.6
53.03936	8.3
54.23664	0.5
55.01869	9.0
55.05486	0.5
57.03425	8.3
57.07053	3.0
61.02911	7.6
63.04465	1.2
68.99761	3.1
69.03413	38.6
71.01338	0.6
71.04978	6.0
73.02891	8.8
80.37309	0.7
81.03400	31.6
83.04931	0.8
85.02888	100.0
87.00810	54.8
87.04436	1.4
91.03931	2.7
92.08812	3.7
95.04955	0.9
96.05293	0.7
97.02869	38.8
97.92244	0.6
99.04437	15.6
100.04814	0.9
105.01842	49.3
105.03348	9.1
106.03704	4.1
107.26781	0.6
109.02863	31.9
117.01807	2.8
119.10648	1.3
127.03889	52.2
129.01875	4.3
145.04936	18.8
147.02823	0.8
153.05397	3.6
159.02863	14.1
164.71605	0.7
186.15231	0.6
189.03914	0.7
213.03923	3.7
227.12592	0.7
231.04958	16.2
249.05998	7.1
273.89255	0.8
306.64331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82021	1.8
55.01854	9.4
55.05491	12.6
56.39334	1.4
56.96528	1.7
57.03418	9.1
59.04979	2.1
61.02903	10.3
61.15958	1.8
61.87307	1.6
65.03929	1.6
67.05479	3.6
67.42825	1.9
68.99770	2.4
69.03411	17.7
69.07044	2.7
70.06579	2.6
71.04983	17.1
78.92528	1.7
79.05467	7.7
81.03385	9.8
81.07049	20.4
82.07375	4.2
83.01299	2.3
83.04939	18.2
83.08591	12.1
84.08092	2.1
85.02885	24.6
85.06543	3.3
86.03237	1.9
87.00824	4.0
87.04459	6.8
91.05463	10.1
93.07005	4.2
95.04942	8.1
95.08565	8.8
97.02869	12.0
97.06506	4.5
99.04435	2.7
101.02338	1.9
101.05952	4.4
103.05437	13.3
105.03397	2.9
105.05482	4.0
105.06997	9.1
107.04940	3.7
107.08578	4.6
109.02864	4.0
109.06477	2.4
109.10129	10.3
110.50566	1.8
111.00791	2.2
111.04391	2.9
111.08056	2.9
112.97643	1.8
113.05983	3.5
115.03914	3.3
115.05408	4.5
117.06986	4.3
118.04092	7.4
119.03408	7.3
119.04926	8.1
119.08562	21.5
121.06482	3.6
121.10098	2.7
123.04436	3.0
123.11669	10.0
125.09621	3.6
127.03837	4.4
128.06255	2.9
129.07019	4.1
130.04164	2.3
131.04898	47.7
131.08525	2.8
132.05644	1.8
133.06471	9.2
135.04405	2.5
139.03870	3.8
140.04568	2.1
141.06964	20.1
141.09053	1.8
143.03445	3.2
143.04865	2.4
144.05695	4.5
145.02780	2.7
145.06482	13.7
146.03581	4.6
147.03313	2.0
147.04404	11.4
147.08011	22.8
149.05972	3.4
151.11179	3.8
155.04814	3.0
155.82773	2.0
157.02811	2.2
157.06494	9.8
158.07254	3.2
159.04327	9.0
159.07980	2.8
160.05110	3.3
161.06012	18.4
163.03825	4.1
165.05434	2.7
165.09064	2.4
167.06982	8.4
169.06467	22.4
169.12160	27.2
170.12561	7.4
171.04332	7.4
172.04994	2.8
173.05966	7.8
174.03102	2.8
175.03870	8.8
175.07430	2.6
176.04617	9.6
177.05452	7.9
180.07805	7.3
183.04364	2.4
183.08037	2.2
185.05896	9.0
186.06712	12.3
187.03900	20.9
187.07478	11.5
187.09550	2.2
187.13295	3.7
188.04587	6.7
189.01797	8.2
189.05417	23.0
190.06216	3.0
191.06999	41.1
193.08556	2.9
197.05959	16.1
199.03923	3.5
200.04594	8.8
201.05415	4.0
201.09116	3.9
203.03352	4.4
203.06931	2.9
204.04131	24.5
204.07724	3.9
205.08484	4.1
205.12227	4.0
207.06429	2.7
211.07498	2.3
213.05472	7.8
214.06200	3.8
215.03435	2.4
215.07010	20.4
216.04141	2.8
216.07076	2.3
217.05011	13.2
217.08594	3.6
218.05663	10.5
219.06483	20.6
223.13373	3.4
225.05377	2.9
229.08598	11.7
231.06458	12.4
233.07863	2.5
235.05800	2.0
241.02820	2.6
242.05768	3.9
243.06458	14.2
245.04411	16.8
245.08009	3.6
247.09521	11.9
249.07454	2.8
257.08057	13.9
260.06705	42.2
262.04514	5.3
263.05222	3.2
273.07495	4.0
275.09067	100.0
277.06995	19.7
287.05325	13.0
301.07025	4.3
319.08136	17.5
325.05179	2.5
337.09116	10.5
345.54251	2.0
385.10477	4.2
385.15082	23.5
385.19061	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10725	2.8
54.82351	3.5
55.05495	30.3
57.05408	3.0
57.07056	18.9
59.04982	4.2
60.72628	2.8
63.40695	3.0
67.05486	43.2
69.03407	15.6
69.07042	15.0
71.04994	5.4
72.52958	3.2
72.85211	3.1
75.55970	3.0
79.05460	30.0
80.00084	3.0
81.03416	7.4
81.07038	47.1
83.04953	4.6
83.08620	5.4
85.06480	3.4
91.05460	57.8
93.07025	98.8
95.04939	31.8
95.08579	48.4
97.06522	14.5
105.06354	6.5
105.07011	100.0
106.17516	3.6
107.08572	47.0
109.06491	18.5
109.10147	23.4
113.71832	3.5
117.07006	16.1
119.08565	65.8
121.06467	14.6
121.10104	44.2
123.08064	17.7
126.29127	3.6
128.06233	5.5
129.06967	14.6
130.07785	5.1
131.08543	34.4
133.06384	5.2
133.10098	24.5
135.08026	23.7
135.11649	3.7
137.09612	7.2
141.06992	7.2
141.31752	3.8
142.07762	24.7
143.08553	26.1
144.09296	5.2
145.06473	4.5
145.10091	40.0
147.08034	28.0
147.11653	18.2
149.09589	20.0
151.07492	24.4
151.25754	3.5
155.08530	7.6
156.09306	14.7
157.10085	31.5
159.07976	6.3
159.11685	21.5
161.09521	7.0
161.13251	4.9
163.11090	4.7
165.09100	26.2
170.10846	4.3
171.11607	5.6
173.09625	6.2
173.13196	6.1
175.11165	13.3
177.09077	5.8
177.36327	3.3
179.08536	5.3
183.11621	6.3
185.13239	15.1
189.12767	4.1
195.11670	4.8
203.14265	8.7
209.13333	5.9
215.14348	4.9
221.15352	36.7
227.14226	4.2
237.16351	4.6
249.16264	3.6
303.19516	7.2
365.24219	4.5
383.25702	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	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24566	4.0
53.03926	7.2
55.01851	17.6
55.05506	29.7
57.03424	18.3
59.73107	3.3
61.02919	9.0
63.38251	3.7
64.33434	3.6
65.03924	5.0
65.74591	6.1
67.05499	40.7
69.03420	60.1
69.07060	31.4
71.04981	51.1
73.02886	9.7
74.84949	3.9
78.79838	3.9
79.05483	48.3
81.03391	42.8
81.07049	95.8
83.04951	17.7
83.08598	6.0
85.02890	87.6
85.06528	6.5
87.04461	5.2
91.05463	44.9
91.97910	4.1
93.07018	87.1
94.07356	4.2
95.04949	47.7
95.08023	4.7
95.08595	75.7
97.02873	31.0
97.06477	16.4
99.04438	8.4
103.03905	15.2
104.16248	3.6
105.03372	44.6
105.06365	6.1
105.07014	100.0
106.03689	6.3
107.04930	16.1
107.08581	92.7
109.02875	14.1
109.06522	19.8
109.10132	53.1
111.04436	6.2
111.08085	4.8
117.06998	26.8
119.08552	93.8
121.06514	6.4
121.10124	70.5
123.04399	9.6
123.08016	16.4
123.11697	26.3
124.08575	4.9
124.72421	4.0
125.09640	18.4
127.03923	15.6
127.11172	7.7
128.06201	5.1
129.06995	8.9
131.08566	39.8
133.10109	66.0
135.08035	16.9
135.11642	42.2
137.09653	6.1
142.07739	6.0
143.08499	31.8
144.09264	5.5
145.10114	62.0
147.08055	8.4
147.11679	53.1
148.03714	4.1
149.09578	7.0
149.13220	7.5
154.76282	4.6
155.08534	8.7
157.10098	34.0
159.08076	7.1
159.11681	67.7
161.09569	5.4
161.13243	23.5
163.11107	6.6
169.10114	7.4
171.11649	23.2
173.13202	23.7
175.11169	7.5
175.14830	6.7
183.11674	5.8
185.13246	7.7
189.16313	9.9
191.14191	4.6
201.12839	5.0
201.16368	9.7
203.17798	29.2
220.36977	4.0
245.19080	6.4
249.07497	6.7
311.20065	6.6
329.21017	6.6
365.23373	7.8
383.24066	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	383.2578
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
52.71122	2.1
52.80819	1.8
53.00307	2.0
53.03947	3.7
54.26694	1.7
55.01870	3.4
55.05507	27.5
57.07061	13.8
59.04978	3.9
63.68826	2.0
67.05495	44.4
69.03416	21.4
69.07047	9.3
69.83987	1.9
71.04974	3.2
79.05468	35.5
81.07040	46.6
83.04958	4.8
83.08586	5.1
85.06543	2.8
91.05462	61.4
91.94851	2.2
92.08765	4.1
92.09279	3.9
93.07030	100.0
95.04958	39.8
95.08588	49.8
97.06521	13.7
103.05453	3.4
105.04482	2.5
105.07020	87.5
107.04980	4.0
107.08588	52.1
109.06514	31.7
109.10155	26.6
111.08069	9.3
113.09642	3.2
115.05489	3.0
117.06995	26.2
119.08569	64.0
121.06479	14.5
121.10119	35.4
123.08053	32.1
128.06198	14.1
129.07005	17.6
131.08551	37.3
133.06465	4.6
133.10117	32.6
135.08047	25.2
135.11682	5.4
137.09586	10.2
141.06989	5.0
142.07768	22.6
143.08542	37.8
144.09328	10.3
145.10120	52.3
147.08020	29.7
147.11673	15.8
149.09576	17.1
151.07518	30.0
155.08553	12.6
156.09325	13.3
157.10100	44.5
158.10809	2.8
159.08032	13.6
159.11688	17.6
160.08746	2.2
161.09578	18.2
161.13222	3.9
163.11182	5.2
165.09079	29.1
167.08531	4.9
169.10063	4.6
170.10901	8.2
171.11696	10.5
172.08841	2.9
173.09578	9.3
173.13280	4.0
175.11168	13.3
175.14804	3.6
175.66411	2.2
177.09081	5.1
179.08565	2.8
181.10052	4.5
182.10750	2.4
183.11787	7.6
185.09602	3.2
185.13216	15.9
187.11177	8.0
187.14825	2.7
189.12750	5.0
193.10107	2.9
194.10966	3.4
195.11693	8.8
197.09659	2.4
197.13263	3.3
199.14828	3.0
203.14297	16.4
207.13737	9.1
209.13293	3.9
209.15233	2.6
213.12646	3.9
215.14287	3.7
219.13835	3.3
221.15331	41.5
223.14803	2.6
227.14240	3.7
233.15355	3.3
234.16052	3.1
255.17522	2.6
265.15833	4.0
286.19183	2.6
287.20071	5.0
303.19553	2.7
347.23755	3.5
365.24692	4.5
383.25693	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83443	3.4
53.03929	3.6
54.87415	3.5
55.05499	19.9
57.03419	6.4
60.94041	3.5
61.02900	6.5
67.05496	36.3
69.03414	18.8
69.07043	51.2
79.05474	9.1
81.03413	7.6
81.07034	59.8
83.08625	5.2
83.76582	3.7
85.02894	33.0
91.05453	41.2
92.09024	7.8
93.07039	41.5
95.04960	16.1
95.08584	60.6
97.02871	15.6
97.06480	4.6
105.03362	20.9
105.07021	100.0
107.08571	44.9
109.06498	7.0
109.10125	45.8
111.11752	4.0
117.07022	4.1
119.08562	90.3
121.10137	26.0
123.11707	16.9
127.03893	5.3
129.06992	3.9
131.08571	7.3
133.10112	44.8
134.35687	4.1
135.11795	5.1
137.09579	4.4
143.08563	6.3
145.10100	19.5
147.11656	56.3
149.09717	4.9
157.10110	4.4
159.11638	4.6
159.94037	4.0
161.13249	8.4
203.17899	52.3
221.18973	5.9
243.73380	4.0
243.76285	4.2
274.87015	4.3
334.35666	3.8
383.23868	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	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	2.0
53.03930	12.2
54.81920	2.2
55.01856	9.8
55.05505	24.6
57.03420	10.4
57.07070	4.3
61.02904	11.9
62.65274	1.9
65.03909	2.6
67.05499	33.3
68.00488	1.9
69.03424	31.3
69.07057	31.7
71.04971	9.7
71.45850	1.8
73.02890	9.0
74.38866	2.0
79.05479	32.3
81.03403	20.3
81.06599	3.3
81.07041	82.2
83.04956	8.4
83.08593	8.1
85.02891	60.5
87.04470	3.0
88.63673	2.0
91.05474	30.4
91.59985	1.8
92.08863	13.5
93.07027	82.7
95.04945	21.2
95.08584	57.9
97.02884	24.6
97.06518	4.7
97.10164	3.0
99.04424	3.6
99.08066	2.4
105.02693	3.2
105.03380	70.8
105.07018	98.5
107.07868	4.0
107.08586	100.0
109.02869	9.1
109.06478	13.4
109.10151	48.4
111.04469	3.2
119.08562	85.8
121.06507	3.0
121.10125	43.7
123.08004	2.7
123.11702	19.5
127.03869	16.4
131.08516	14.8
133.10107	46.8
135.11647	20.8
142.07793	2.4
145.04929	3.8
145.10150	23.8
146.10846	2.4
147.08142	2.3
147.11670	54.9
149.13211	12.8
151.11156	12.7
157.10144	3.9
159.11633	17.7
161.13211	17.8
163.14825	27.2
168.53017	2.1
171.11617	3.7
173.13249	10.7
174.14006	2.3
175.14816	19.9
197.13278	3.0
201.16406	8.9
203.14255	2.1
203.17938	64.6
204.61055	2.5
213.16232	3.4
215.08951	2.6
221.18976	13.4
261.07510	11.6
329.20917	4.2
347.22070	3.5
365.23047	4.8
383.24207	3.0
402.15195	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	383.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.1
55.01841	1.3
55.05486	0.2
57.03422	3.9
57.07064	0.6
59.04977	0.3
59.10596	0.2
61.02908	2.2
65.22477	0.2
69.03412	10.2
71.01311	1.1
71.04977	2.3
73.02869	1.0
74.49351	0.2
77.64432	0.2
81.03378	1.6
81.07043	0.4
83.04987	0.3
84.29957	0.2
85.02880	0.9
85.34985	0.2
92.08820	0.6
92.09322	0.3
92.64594	0.3
95.04933	0.5
98.97567	1.3
99.04444	2.5
101.05939	0.5
104.04947	0.4
105.03377	1.9
106.06526	1.5
109.02841	0.4
111.18034	0.2
116.04936	1.0
116.98557	0.3
117.05467	0.3
118.05222	1.4
126.90623	0.2
128.63029	0.3
131.06020	0.5
133.07587	6.8
143.06012	1.1
144.06749	0.4
145.07582	12.4
146.08363	1.1
147.09143	1.3
157.07570	1.3
159.09145	0.9
161.07111	2.7
163.07243	0.5
163.08626	14.2
167.10655	0.3
171.05453	0.5
171.09077	0.5
173.07040	0.6
175.08615	3.7
176.09358	1.0
177.06595	2.2
183.09102	0.5
185.10640	0.5
189.06561	6.7
189.10199	1.0
191.08159	1.3
199.08525	0.4
200.09457	1.7
201.10175	2.7
202.10956	0.3
203.11815	0.5
205.09764	0.9
207.07613	100.0
208.07893	0.5
211.08607	0.3
213.10237	0.6
214.06056	1.2
215.08128	0.5
215.11742	1.0
217.09651	0.9
229.09744	1.4
230.10480	0.3
231.11227	0.9
232.07120	9.1
237.02727	0.4
241.09790	0.3
243.11263	0.3
249.08592	0.4
249.12236	1.3
249.15240	0.3
249.18179	0.3
261.08853	0.3
261.12259	1.4
269.09122	0.5
275.10202	0.3
277.11938	0.4
279.13330	8.0
279.51019	0.3
287.10159	1.0
305.11246	3.1
323.12292	28.5
348.11569	1.8
366.12878	65.0
367.13098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92047	1.1
55.01862	1.7
55.47723	1.2
57.03421	6.0
59.56821	1.1
61.02909	7.2
69.03413	11.4
71.04978	1.6
73.02895	2.7
74.02445	3.0
75.22081	1.3
77.62746	1.2
81.03404	9.5
82.48433	1.4
85.02885	47.9
85.03365	2.5
92.08610	2.3
92.09167	6.6
94.06533	2.7
97.02870	13.2
103.03932	1.9
106.06572	1.6
109.02860	2.6
114.63612	1.5
117.05765	1.5
118.06509	9.7
120.08030	1.6
127.03902	2.8
130.06502	95.9
132.04425	31.0
132.08078	8.6
134.09628	1.6
142.06493	2.5
144.06911	4.1
144.08055	37.9
145.07570	25.2
146.05972	14.8
148.07550	6.1
154.06487	9.4
156.06870	1.8
156.08055	7.1
157.07579	100.0
158.05983	82.5
158.08096	2.5
159.09128	11.4
160.07614	2.9
167.07294	2.1
169.07555	10.6
170.05962	2.8
170.08365	2.4
171.09113	17.5
172.07544	20.2
174.05470	10.2
175.08624	68.0
176.07024	2.1
181.07541	10.6
182.08398	6.0
183.09102	20.2
185.07086	17.4
186.05495	6.9
186.07787	2.2
187.08672	2.3
188.07010	2.1
195.09142	2.4
199.08604	18.1
200.07021	29.1
203.08116	89.1
204.06560	2.7
209.06976	11.6
215.08173	2.7
216.08916	2.4
216.15245	1.7
217.09694	28.8
221.09167	35.0
221.64349	1.4
227.08121	9.8
228.06584	3.2
231.07669	5.9
243.07671	1.5
245.09198	19.7
263.10168	32.0
299.10291	2.7
329.11218	3.4
347.12253	6.7
348.10806	6.5
365.13406	25.8
383.14355	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	383.0948
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
51.78141	0.9
57.12236	1.0
64.33733	1.2
73.60281	0.9
92.08667	1.3
92.09187	2.0
94.92975	1.7
99.84427	1.0
106.77314	1.1
122.90979	1.2
134.51527	1.3
178.23547	1.1
227.32538	1.2
383.09445	100.0
407.49350	1.3
408.49496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.00293	0.2
53.03941	5.5
55.01863	1.0
55.05503	2.1
55.29254	0.2
57.03425	1.9
61.02903	0.2
67.05499	0.4
69.03063	0.4
69.03417	6.9
69.03772	0.2
69.07063	0.2
71.01329	0.4
71.04975	2.3
73.02901	0.9
77.03899	0.3
78.89013	0.2
79.05476	3.9
81.03399	18.3
81.07023	0.9
83.04966	6.6
85.02415	0.4
85.02885	5.5
92.08952	0.9
93.07036	0.4
95.04947	8.4
95.08588	0.9
96.08951	0.2
97.02867	9.5
97.06474	0.3
99.04432	5.8
101.05983	0.3
105.03373	100.0
107.08591	0.3
109.02870	6.4
109.10133	0.3
117.05479	0.9
123.04408	5.5
123.11642	0.3
125.02333	0.9
127.03912	4.1
129.05472	0.5
140.60307	0.2
142.07813	0.3
145.04912	1.0
145.10173	0.2
165.05559	0.4
173.82797	0.2
184.10890	0.2
185.15404	0.3
207.06528	0.3
249.07529	9.7
267.08679	1.9
347.11337	0.2
365.12140	0.3
370.61700	0.3
383.16650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12125	3.7
55.05499	26.1
56.30985	3.9
59.04988	20.0
63.75672	4.1
67.05494	16.9
68.43301	5.0
69.07030	7.6
71.04980	4.9
79.05466	42.1
81.07042	61.6
83.04964	18.3
83.08583	5.1
84.04497	4.6
91.05453	62.3
92.09138	23.9
93.07011	72.3
95.04948	19.8
95.08576	41.4
99.04410	5.5
105.04572	5.9
105.07011	100.0
107.08561	65.4
109.06493	7.6
109.10172	7.0
111.08053	4.3
117.06976	21.7
119.08566	82.6
121.06490	5.0
121.10143	58.3
123.08056	6.0
129.06978	21.4
131.08533	36.6
133.10092	33.3
135.11662	4.1
142.07770	10.8
143.08559	33.3
144.09300	5.1
145.10103	45.8
147.11652	27.6
155.08591	8.3
157.10083	42.6
159.11653	37.2
161.13200	6.0
169.10011	7.3
171.11659	18.4
185.13249	6.4
187.14793	11.1
193.12199	7.7
199.14861	6.3
213.16309	24.0
287.20050	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	382.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
53.72403	1.1
54.52608	1.0
55.01835	1.3
55.05496	10.3
59.04976	3.0
67.05494	13.1
67.77258	1.2
67.77679	1.2
69.07056	2.6
69.07413	1.2
71.04986	12.4
77.03871	1.3
79.05476	20.1
79.50830	1.2
81.07034	47.5
83.86481	1.3
85.06535	2.2
91.05460	31.2
92.09192	7.2
93.07022	100.0
95.04950	11.8
95.08584	27.4
97.06507	5.0
105.04497	1.4
105.07010	47.0
105.95652	1.5
107.08572	21.5
109.06510	20.9
109.10112	8.5
111.08040	12.5
116.83556	1.5
117.06996	9.0
119.08561	65.9
121.06477	1.4
121.10104	35.6
123.11635	2.1
128.06207	3.0
129.06969	8.8
130.07767	2.2
131.08540	17.8
133.10095	18.2
135.08054	1.5
135.11665	6.8
137.09605	15.5
142.07820	11.2
143.08585	11.5
144.09296	7.4
145.10100	21.4
147.11665	7.8
149.09634	1.6
153.09697	1.3
155.08560	3.2
156.09311	6.3
157.10089	37.6
159.11661	31.1
169.10091	6.8
171.11635	8.6
173.13214	6.7
177.12698	6.8
183.11717	3.5
185.13231	8.7
187.14745	6.1
197.13162	3.0
203.14316	2.6
206.40475	1.3
208.35692	1.4
211.14764	1.6
213.16353	10.2
227.17888	1.7
270.84970	1.5
271.20502	11.3
332.25790	1.5
354.59875	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
55.01859	1.4
55.05513	15.0
57.03391	1.4
59.04976	9.0
61.09252	1.4
62.67263	1.2
63.76302	1.2
65.03925	2.0
66.13654	1.2
66.74889	1.3
67.05492	15.6
69.03392	1.9
69.07051	13.5
70.95345	1.4
71.04964	5.6
79.05475	31.2
81.07040	56.6
83.04967	13.8
83.08599	2.9
85.02893	15.5
85.06501	1.9
87.04443	2.7
91.05460	42.0
92.09028	5.9
93.07027	79.1
95.04948	12.9
95.08594	26.0
97.06511	2.0
103.05443	3.5
105.07012	100.0
107.04924	1.6
107.08578	31.6
109.06510	12.4
109.10136	6.1
111.08078	1.9
111.48928	1.5
113.73356	1.8
114.75781	1.4
115.05441	1.7
117.07010	13.2
119.08562	65.7
121.10122	70.4
121.88891	1.5
123.08038	2.6
129.06944	2.7
130.07768	3.1
131.08559	17.0
133.10109	15.0
135.08041	2.8
135.11688	2.1
141.07005	2.9
142.07782	2.9
143.08522	7.4
144.09326	3.3
145.10118	21.2
147.11653	17.5
156.09291	2.7
157.10112	13.2
159.11655	13.9
160.26881	1.4
161.13242	15.3
163.11151	1.6
169.10074	2.9
173.13173	1.7
177.12689	3.0
183.11633	1.9
187.14754	3.1
187.32759	1.4
205.15839	1.7
213.16350	2.3
384.61084	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45854	0.1
60.04496	0.2
66.92228	0.2
67.17289	0.2
68.07767	0.2
69.07066	0.2
71.04970	0.3
76.61845	0.2
79.05470	0.2
81.14954	0.2
84.08144	0.3
85.02905	0.3
85.90833	0.2
86.09686	100.0
87.10003	0.3
92.08831	0.2
104.07108	0.3
132.10176	41.0
133.03215	0.2
174.22426	0.2
296.88660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
55.05505	3.7
57.03424	4.7
61.02916	1.4
65.03950	1.1
67.05494	28.7
69.03426	7.2
69.07052	2.8
71.04982	5.1
73.02888	1.4
79.05474	34.8
81.03401	3.8
81.07039	19.8
83.04971	9.3
83.08632	0.8
85.02892	17.6
91.05450	5.1
92.09085	4.8
93.03400	5.0
93.07059	7.2
93.61066	0.8
95.08585	3.6
97.02889	5.7
97.06525	3.3
97.10162	1.2
99.04408	1.5
105.07023	2.8
107.04942	1.5
107.08578	100.0
109.02864	2.7
109.06494	1.3
109.10153	17.8
111.04429	50.1
111.08073	4.1
111.11633	0.7
117.07019	1.6
119.08582	0.8
121.10101	8.2
123.08057	1.3
125.05975	4.4
125.09617	14.4
127.03908	4.1
127.07542	0.9
131.08577	0.8
135.08032	13.6
137.09581	1.3
139.11177	5.2
145.10085	1.5
146.10417	0.9
149.09578	3.7
153.09084	83.2
159.11734	1.3
167.10629	10.8
171.10129	53.9
177.43520	0.7
185.11722	13.6
201.16354	1.5
202.16699	2.8
203.12756	33.3
204.21785	0.8
296.01538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1703
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01849	2.5
55.05503	2.5
57.03416	2.9
57.07067	6.2
58.31165	0.5
59.04977	4.2
61.02903	3.0
67.05486	5.3
67.86629	0.5
69.03408	5.3
69.07050	6.8
70.02943	4.9
70.06584	0.7
71.04962	1.5
71.36802	0.5
71.37305	0.5
72.04500	16.5
73.02885	5.4
74.02408	1.0
79.05450	1.0
81.03389	3.0
81.07021	5.3
83.04958	4.7
84.08085	0.7
85.02415	0.9
85.02885	15.6
85.06524	12.3
86.09682	2.8
87.04439	1.1
87.08071	1.3
88.07615	9.7
88.53161	0.6
90.05531	100.0
90.20758	0.5
90.22325	0.6
91.05457	0.9
92.08911	2.3
93.07013	3.5
95.04958	8.3
95.08565	2.7
96.08057	0.6
97.02884	4.5
97.06503	3.6
98.02384	15.3
99.04414	2.7
99.08061	1.6
100.03954	2.6
103.07562	7.5
104.07101	0.7
107.08585	4.4
109.02850	1.5
109.06486	3.8
111.08087	1.1
113.05977	3.2
116.03426	14.9
121.10120	4.3
123.08053	1.3
124.07557	21.3
125.05969	1.3
125.09583	1.5
127.03905	2.8
130.08559	0.7
131.07028	0.9
137.09605	0.9
139.11185	1.0
142.08614	8.6
145.04898	1.2
149.09598	2.5
156.10213	0.8
160.09669	1.4
166.08554	1.3
167.07057	0.7
167.10603	6.4
174.11227	1.4
184.09662	18.7
185.08064	1.5
185.11674	5.8
202.10715	28.7
206.00043	0.6
220.11757	96.4
275.99377	0.6
308.95895	0.7
383.09183	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	381.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14319	1.8
54.81779	1.9
55.05267	3.1
55.05503	61.4
57.07056	18.7
60.82051	2.3
64.87539	2.1
67.05485	58.6
69.06719	4.0
69.07054	78.3
71.04968	3.8
71.08588	2.7
74.46904	2.5
79.05455	12.9
81.07034	91.6
83.08605	60.4
85.06525	3.8
89.05988	2.8
92.08959	13.5
93.07021	19.7
95.08581	100.0
97.10158	36.8
105.07034	3.7
107.08548	15.0
109.10136	47.9
111.11684	10.2
119.08533	3.3
121.10098	10.1
123.11674	15.9
128.36667	2.4
135.11674	10.1
137.13214	6.0
143.08517	2.5
149.13235	4.7
210.02698	2.6
241.26909	3.0
290.09085	2.5
331.34698	2.6
345.34924	16.1
363.36142	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	2.9
53.03944	8.0
55.01863	4.6
55.05503	22.8
57.03432	9.8
57.07069	8.8
61.02907	10.9
63.18667	2.1
67.05495	29.4
69.03414	53.7
69.07055	19.9
71.04981	23.7
73.02905	2.5
79.05470	25.2
81.03401	12.5
81.07038	74.6
83.04960	14.5
83.08624	8.6
85.02888	62.0
85.06526	3.1
87.04465	3.1
91.05466	34.4
92.09163	7.5
93.06479	3.9
93.07026	62.0
95.04973	9.9
95.08581	53.7
97.02869	29.4
97.06509	4.5
99.04398	7.3
105.07011	100.0
106.98327	2.4
107.08576	61.8
109.02898	8.3
109.06512	8.2
109.10140	30.1
111.08065	3.5
115.05441	2.8
117.06980	16.9
119.08566	64.4
121.06523	4.2
121.10117	45.5
123.11708	10.7
125.09634	4.5
127.03925	17.0
127.11203	3.2
129.07033	4.5
130.07784	9.8
131.08553	42.3
133.10115	46.7
135.11693	11.9
142.07753	4.0
143.08470	15.3
144.09346	9.0
145.04874	3.2
145.10110	59.1
147.11661	29.5
149.09584	3.3
149.13266	10.8
151.11235	2.7
157.10098	17.7
158.10936	2.7
159.11658	57.8
161.13225	35.0
163.11139	2.1
163.14835	2.6
169.10034	2.9
171.11652	4.4
173.13222	17.7
175.14880	9.0
187.14902	3.2
201.16371	44.0
203.17992	9.3
217.33604	2.1
219.17455	13.2
312.93600	2.4
345.20554	2.9
381.22519	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	381.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51821	0.7
53.03934	6.3
55.01854	4.0
55.05501	9.7
57.03423	6.5
61.02906	7.6
67.05488	16.8
69.03413	36.5
69.07052	11.0
69.29731	0.8
71.04962	5.8
71.68353	0.8
72.26896	0.8
73.02891	4.0
76.38947	0.8
79.05473	14.6
81.03396	15.9
81.07029	35.0
83.04952	5.3
83.08592	4.4
85.02886	46.1
85.06499	1.0
85.17307	0.8
86.33655	0.9
87.04447	2.0
91.03925	1.1
91.05461	17.9
92.08701	1.9
92.09261	2.0
93.07019	48.8
95.04944	8.5
95.08582	48.2
97.02863	28.7
97.06520	2.2
99.04417	8.3
105.07007	100.0
107.08575	51.2
107.09295	2.1
109.02853	6.0
109.06494	5.7
109.10139	20.9
111.04375	1.0
111.07997	1.0
117.06988	9.6
119.08551	38.9
121.06486	1.5
121.10120	31.1
123.08047	4.6
123.11690	4.2
127.03868	12.8
128.06238	1.2
129.06955	3.5
130.07730	5.5
131.08542	27.1
133.10089	23.2
135.11685	6.6
139.03864	1.1
142.07733	1.6
143.08545	4.4
144.09315	5.0
145.04948	4.0
145.10088	71.6
146.10858	3.7
147.11652	25.1
149.13223	17.6
155.08461	1.1
157.10098	7.5
159.11653	47.0
161.02534	0.9
161.13219	14.0
163.11215	1.0
163.14844	1.2
171.11644	3.7
173.13203	12.0
175.14748	6.6
177.16347	1.8
191.17998	1.9
199.14868	1.1
201.16341	69.3
203.17905	12.5
219.17386	21.2
255.17339	1.0
259.53952	0.9
315.19229	1.0
345.20441	1.4
363.21451	1.6
381.22604	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	381.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91833	1.2
53.03929	6.3
55.01857	5.7
55.05501	28.5
55.77367	0.9
57.03426	12.2
57.07057	8.7
57.93188	1.1
59.04981	2.1
61.02917	9.8
67.05488	34.4
69.03412	63.7
69.07047	16.0
71.01328	1.5
71.04974	15.2
73.02888	4.7
75.04463	1.8
79.05472	29.0
81.03397	20.0
81.07033	78.9
83.04962	17.6
83.08611	8.5
85.02884	57.7
85.06529	1.7
87.04439	2.1
91.03942	2.0
91.05457	36.7
92.09082	1.9
93.07020	71.2
95.04960	16.6
95.08582	54.2
97.02862	28.8
97.06493	5.1
97.10156	1.4
99.04434	13.9
103.05437	2.3
105.07005	100.0
107.08573	73.7
109.02858	6.9
109.06507	8.0
109.10141	29.3
111.08085	4.9
115.03876	1.5
115.05405	1.7
117.06985	14.2
119.08550	73.8
121.06445	2.2
121.10120	48.3
123.08015	7.5
123.11679	7.3
125.05953	1.7
125.09579	2.6
127.03888	21.1
128.06233	2.6
129.06963	10.4
130.07768	10.6
131.08540	38.0
133.06506	1.6
133.10106	35.5
135.08015	1.7
135.11678	14.4
139.11147	1.7
142.07758	2.9
143.08513	12.7
144.09328	11.5
145.04927	6.6
145.10089	80.7
145.11229	2.6
146.10858	1.9
147.11662	30.7
149.09624	2.0
149.13239	14.8
156.09369	1.5
157.10062	14.8
158.10904	2.6
159.11649	66.0
161.13217	52.1
163.11127	4.3
163.14795	5.7
164.99841	1.2
169.10060	1.6
171.11678	6.1
172.12361	1.4
173.13225	17.0
175.14810	6.5
177.16344	2.9
183.11565	1.5
185.13191	1.4
186.13994	1.3
191.17879	1.5
197.13271	1.5
199.14847	5.0
201.16330	54.0
203.17906	19.4
213.16214	2.2
214.46284	1.2
217.15834	2.9
219.17421	15.1
230.72197	1.6
250.28862	1.2
363.21677	2.8
381.22580	5.1
402.75595	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00300	1.9
53.03926	6.3
55.01866	4.9
55.05505	35.3
57.03416	13.0
57.07050	3.9
59.12566	2.7
61.02913	9.9
61.97646	2.2
63.55648	1.9
67.05496	38.5
69.03418	50.1
69.07053	24.8
71.04958	15.0
73.02888	3.6
79.05479	41.0
81.03403	32.3
81.06597	4.8
81.07038	85.7
83.01366	2.4
83.04957	15.2
83.08590	10.3
85.02895	51.0
85.06526	5.2
87.04432	4.0
91.05467	52.1
92.09125	2.6
93.07029	85.4
93.07623	3.0
95.04936	18.2
95.08588	85.0
97.02874	21.3
97.06501	5.7
97.10186	3.3
99.04423	4.7
103.03907	3.2
105.03385	34.2
105.07015	100.0
107.08574	68.5
109.02869	8.8
109.06512	10.3
109.10142	53.4
111.08052	3.1
117.06994	19.8
117.66579	2.7
119.08565	67.7
121.06474	4.9
121.10133	60.7
123.04436	4.8
123.08047	3.9
123.11695	12.4
125.09631	3.5
127.03886	13.6
130.07779	9.6
131.08530	37.0
133.10098	51.3
135.11650	33.3
137.09631	5.7
142.07741	2.8
143.08557	10.9
144.09259	3.7
145.04945	3.0
145.10088	69.5
147.07976	4.5
147.11679	23.8
147.74069	2.6
149.09576	5.1
149.13185	8.6
151.11116	3.6
157.10106	12.2
158.10838	2.5
159.11665	49.9
161.13239	21.0
163.11096	9.2
163.14786	5.2
171.11687	5.4
173.13225	20.8
175.11313	3.3
175.14760	4.9
177.05475	5.1
177.16431	3.5
181.17059	2.7
187.14726	4.2
191.17897	15.1
199.14877	6.2
201.16359	54.4
209.06497	3.0
219.17410	21.6
227.20674	2.7
345.20435	3.1
381.22699	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	381.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
55.01863	2.9
55.05501	5.8
55.21811	1.0
57.03431	9.7
57.07049	1.7
61.02909	13.9
64.33881	1.0
66.57355	1.3
67.05497	15.9
69.03412	28.9
69.07057	10.4
70.25586	1.0
70.34755	1.2
71.04971	2.9
73.02906	2.9
79.05489	12.0
81.03404	14.5
81.07037	32.2
83.08575	1.7
85.02886	63.6
87.04444	2.0
91.03934	3.0
91.05457	20.5
93.07025	25.1
95.04941	3.0
95.08572	30.5
97.02857	28.2
99.04417	2.9
105.03354	1.8
105.07009	82.8
107.08577	28.8
109.02858	2.7
109.06501	6.1
109.10109	13.7
111.08069	2.1
117.07008	14.5
119.08557	47.3
121.06483	2.4
121.10105	14.1
123.08030	1.2
123.11664	1.3
127.03879	10.3
128.06194	1.7
129.06960	4.9
130.07802	2.9
131.08539	33.8
133.10103	32.4
135.08014	1.5
135.11681	2.5
142.07722	1.5
143.08546	10.3
144.09320	11.1
145.04941	4.8
145.10098	74.8
146.10744	1.6
147.11681	8.4
157.10118	10.6
158.10899	6.4
159.11662	72.3
161.13231	34.6
163.14749	2.6
171.11674	6.2
173.13217	63.4
179.54236	1.3
199.14828	2.5
201.16348	100.0
203.17903	5.2
219.17404	33.0
343.66632	1.4
363.21609	1.8
381.22543	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01866	0.4
55.05503	0.7
57.03429	0.3
60.80430	0.3
67.05489	1.8
68.15683	0.2
69.03423	2.1
69.07039	1.0
71.04972	0.3
79.05479	1.2
81.03403	1.1
81.07030	2.8
83.04956	0.4
83.08620	0.4
85.02895	1.9
85.06551	0.4
85.76215	0.3
89.03899	6.5
89.55461	0.2
91.05459	2.1
93.07048	2.1
95.04951	0.6
95.08574	2.4
97.02878	15.5
103.05428	0.3
105.03367	0.5
105.07030	2.7
106.04242	0.3
107.04948	0.6
107.08577	1.8
109.02871	0.5
109.06515	0.4
109.10131	2.1
117.03360	25.7
117.06960	0.4
119.08572	2.0
121.06466	0.4
121.10078	0.7
123.11697	0.5
127.03915	1.3
131.08546	1.2
133.10054	1.0
133.95810	0.3
134.03613	0.7
135.04388	1.2
135.08069	0.5
135.11656	0.3
139.03864	1.4
143.08591	0.6
145.02832	75.4
145.10104	2.7
149.05977	9.7
157.10132	0.3
159.11664	1.6
163.03871	0.6
177.05438	100.0
201.16338	1.2
213.07494	0.3
219.17389	1.0
226.13597	0.3
328.86044	0.3
381.11465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95340	1.2
62.13290	1.4
66.89273	1.4
71.73172	1.6
76.37607	1.5
92.09188	2.6
104.07166	1.6
110.64542	1.5
171.59329	2.0
381.07837	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	381.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
53.59465	0.4
55.01865	0.5
55.05503	0.8
56.96164	0.5
57.03428	0.5
57.07056	1.1
60.04503	2.4
67.05482	2.9
69.03407	2.1
69.07050	0.8
71.04964	2.0
73.02895	0.4
76.09451	0.4
79.05456	1.5
81.03381	0.9
81.07023	2.6
85.02901	4.4
85.06530	2.5
87.04440	0.6
91.05437	2.8
92.05819	0.4
92.09179	0.7
93.07019	5.0
94.07354	0.6
95.04919	0.9
95.08590	6.6
96.08946	0.8
97.02858	0.8
97.06533	1.0
99.04423	0.8
105.06991	1.7
107.04949	0.8
107.08566	2.4
109.02824	0.7
109.06506	1.0
109.10137	2.0
111.08040	0.6
112.25661	0.4
113.02353	0.6
113.05950	0.5
114.36848	0.4
117.07033	0.5
119.08565	3.0
120.08884	0.7
121.06479	0.7
121.10094	0.8
123.08015	2.1
125.09605	0.7
127.03963	0.6
137.09579	3.1
147.08099	0.6
147.11688	0.6
149.05920	0.6
153.96130	0.4
156.10117	0.5
165.09091	2.6
165.12798	0.9
166.09421	0.7
181.08527	4.0
182.08917	2.9
183.10126	2.6
183.13733	1.6
199.09590	0.6
200.10036	0.7
201.09993	0.6
201.14824	1.1
219.06432	0.6
300.96371	0.5
358.05563	0.5
381.11453	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	380.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92803	0.4
53.03912	0.5
54.81679	0.7
55.01858	1.0
55.05315	0.4
55.05504	7.6
57.03414	2.2
57.07070	0.8
59.04978	0.7
59.16210	0.5
60.04507	1.3
61.02916	1.2
67.05474	3.3
69.03416	3.9
69.07043	1.0
70.06557	0.6
71.04965	2.4
73.02900	1.1
77.43803	0.5
79.05485	5.0
81.03397	2.8
81.06602	0.7
81.07040	13.6
83.04975	3.9
83.08603	4.9
84.08102	3.0
85.02891	12.0
85.20384	0.6
91.05463	6.1
92.08836	0.7
93.07034	6.3
95.04939	4.7
95.08579	7.9
97.02862	4.5
97.06525	0.7
98.97566	0.7
99.04431	1.1
99.08049	0.6
103.05408	0.6
105.07014	25.5
107.04953	4.2
107.08568	7.9
109.02887	0.8
109.06504	23.0
109.10122	3.0
111.04439	0.9
113.07081	0.8
116.98561	0.6
119.04879	0.6
119.08562	17.8
121.06534	0.9
121.10118	100.0
123.04428	0.5
123.08036	10.8
123.11674	12.0
127.03883	1.3
127.07526	22.0
127.08465	0.7
128.07056	0.9
129.10229	2.1
133.07587	1.0
135.11659	3.0
137.05910	1.0
137.09573	4.6
137.13188	0.9
139.03900	1.3
139.07515	0.8
139.11168	0.7
145.04919	0.7
145.10036	0.7
147.08014	2.0
147.11667	37.2
165.03661	1.0
165.09064	7.0
165.12714	25.6
183.06506	1.3
183.10306	4.0
183.13770	50.3
201.11201	3.0
203.16182	0.5
234.43092	0.5
237.02701	0.8
259.44070	0.6
270.45422	0.6
319.10782	0.6
362.25369	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56840	0.6
53.00313	0.9
55.01871	1.7
55.05507	4.8
56.83888	0.7
57.03430	1.7
57.07074	1.5
59.70905	0.7
61.02913	1.4
63.36288	0.6
65.03928	0.7
67.05494	5.7
69.03423	4.0
69.07049	7.3
71.04981	37.8
71.05377	1.2
71.86232	0.7
73.06538	10.7
75.93655	0.7
78.18370	0.7
78.68036	0.6
79.05472	11.8
81.03384	1.2
81.06594	1.4
81.07041	26.6
83.04977	1.3
83.08598	1.1
85.02890	11.7
85.06539	12.0
87.08106	1.6
91.05482	4.5
93.07028	14.1
94.75085	0.7
95.04978	1.0
95.08591	16.3
96.04498	1.3
97.02893	3.1
97.06515	30.9
99.04439	1.5
99.08077	55.0
105.07019	10.4
107.08572	9.6
109.06518	4.9
109.10155	7.5
111.07359	0.8
111.08086	3.9
113.06027	1.0
119.08567	5.6
121.10110	6.5
123.08064	3.1
123.11687	10.1
125.09635	1.4
127.03887	1.3
127.07538	17.4
135.11755	0.9
137.09622	1.8
137.13254	10.5
139.11122	1.0
139.60730	0.8
141.12733	1.0
147.11670	12.7
152.05640	1.1
153.25903	0.8
165.09123	0.8
165.12737	13.8
167.07001	0.9
179.06985	1.0
180.07414	0.9
181.04980	1.3
182.05292	1.6
183.13782	100.0
201.11046	0.9
201.14842	3.9
201.16455	1.0
207.06509	0.9
208.06892	1.8
335.47980	0.8
345.18942	3.3
354.40848	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	2.0
53.03939	1.4
55.01858	1.9
55.05508	12.5
55.05724	1.2
55.81504	1.4
57.03418	6.0
57.07065	2.7
59.04325	1.3
59.04979	1.4
61.02931	1.9
66.69149	1.1
67.05489	9.1
67.41566	1.2
69.03423	12.8
69.07050	7.1
71.04979	100.0
78.03413	1.6
79.05052	2.6
79.05480	45.4
81.03414	5.2
81.07043	38.1
83.04969	6.7
85.02893	24.5
85.06528	7.9
91.05446	15.2
92.09024	8.2
93.07028	38.3
95.04961	6.0
95.06075	15.4
95.08600	24.8
96.06414	6.1
97.02881	6.5
97.06539	11.4
99.04469	2.1
99.08071	6.6
105.03387	7.9
105.07018	41.2
106.02953	2.0
107.08575	27.7
109.06509	8.8
109.10163	3.6
113.07109	36.8
114.07466	16.0
119.08562	30.8
121.10107	21.0
123.08073	6.7
123.11691	8.5
124.03934	1.7
125.09641	2.2
126.35949	1.5
127.03938	1.8
127.07552	1.7
130.31355	1.3
137.09644	3.0
137.13246	6.4
139.11150	1.9
141.82904	1.3
147.01199	1.7
147.11679	39.8
165.12729	94.8
167.21497	1.7
183.10144	8.5
183.13789	37.6
201.14882	2.4
267.07632	3.3
285.08630	3.0
331.09268	1.8
380.15277	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	380.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03253	0.2
53.03936	0.4
55.01855	0.5
55.05508	2.8
56.05024	0.3
56.96567	0.3
57.03425	1.1
57.07069	0.7
61.00362	0.3
61.02910	0.6
67.05494	2.4
69.03416	2.1
69.07069	2.9
70.06589	2.3
71.04980	0.6
73.02866	0.5
74.06065	2.7
79.05473	5.4
79.55937	0.3
81.03397	2.0
81.07043	6.4
83.04958	0.7
83.08598	0.5
85.02413	0.5
85.02892	7.5
85.06508	0.4
86.03216	0.4
86.09695	0.6
91.05462	5.5
93.03381	0.3
93.07018	3.0
95.04945	3.1
95.08588	6.1
97.02868	2.2
97.06525	1.4
98.97581	1.5
99.04414	1.1
103.05438	0.5
105.07014	18.5
107.04930	1.6
107.08597	2.5
109.02860	1.3
109.06505	7.9
109.10117	1.1
111.04413	0.3
111.08078	0.3
112.07594	0.5
116.07078	1.4
116.98620	0.5
119.04937	6.1
119.08564	8.2
121.06491	1.3
121.10129	100.0
122.10410	0.4
123.04417	3.0
123.08053	8.2
123.11694	4.9
125.05975	0.4
127.03886	1.4
127.07526	3.4
133.06490	1.3
133.07600	1.4
134.06017	1.6
135.04407	0.5
135.11673	0.4
136.07564	7.4
137.05968	6.3
137.07063	0.5
137.09627	1.6
137.13336	0.5
138.06311	2.1
139.06560	0.6
140.07051	3.7
141.05440	1.1
145.05019	0.6
145.10133	0.4
147.08054	0.5
147.11671	12.0
151.07533	10.1
156.04716	0.4
163.03889	0.6
165.05455	0.6
165.09073	2.4
165.12726	17.9
168.02606	0.4
168.06482	4.3
169.08632	0.4
183.06538	1.9
183.10118	2.0
183.13756	3.7
201.07295	1.6
201.11185	6.1
218.61156	0.3
234.99034	1.1
321.06128	0.4
328.10419	1.3
380.15628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83166	0.8
53.00291	1.3
53.03952	1.2
55.01851	1.2
55.05500	5.8
57.03422	1.8
61.02930	1.1
64.12551	1.2
67.05495	8.9
69.03409	1.9
69.07053	3.0
69.08854	1.2
71.04979	100.0
72.69574	1.1
79.05478	30.9
81.07050	23.2
85.02879	11.5
85.06512	5.9
91.05452	9.2
92.08902	5.6
93.07034	31.5
94.40278	1.4
95.04943	4.7
95.08591	22.9
97.02888	2.3
97.06512	8.7
99.08074	2.6
105.07013	20.8
107.08594	19.7
109.06461	4.0
109.10145	4.3
111.08055	1.6
114.24217	1.2
119.08578	10.9
121.10121	8.6
123.08031	1.7
123.11654	7.3
137.09634	4.6
137.13268	6.1
138.84308	1.1
147.11662	23.6
155.10649	1.8
164.67992	1.3
165.09073	2.0
165.12726	85.3
183.13788	37.7
201.11244	2.3
296.22745	1.2
319.01144	1.4
350.25623	1.3
395.18674	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01861	2.3
55.05507	2.7
57.03424	2.0
57.07067	0.6
57.13377	0.4
59.04989	1.3
61.02903	2.1
67.05489	17.2
69.03416	6.0
69.07046	4.5
71.04987	3.7
73.02911	0.6
74.92160	0.5
79.05473	4.2
81.03410	5.3
81.07043	23.1
83.08609	2.2
85.02895	12.4
85.06522	3.1
91.05454	5.8
92.11493	0.5
93.07031	5.4
95.04928	2.6
95.08582	13.0
97.02875	5.4
97.06516	2.1
99.04407	4.2
99.08067	2.5
105.07014	5.4
107.08575	13.9
108.15303	0.5
109.02852	3.7
109.06496	4.1
109.10144	66.8
111.08038	0.8
112.19045	0.4
112.95040	0.5
113.05952	1.0
119.08553	7.5
120.08094	0.6
121.10101	5.0
123.11692	26.0
125.05975	7.4
127.03915	2.9
127.07567	1.1
135.08057	0.9
137.09599	100.0
139.11169	0.5
141.12730	3.5
145.04991	1.3
147.11659	10.0
155.10649	22.4
165.09081	41.5
165.12717	8.5
183.10136	12.2
183.13760	7.8
201.11189	45.0
201.14781	6.3
219.12157	0.9
309.13449	5.2
327.14117	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
54.81278	0.7
55.01635	0.8
55.01854	8.0
55.05506	6.4
57.03428	9.9
57.93080	0.8
61.02912	8.3
67.05482	3.9
68.99761	3.1
69.03415	44.0
69.07075	0.8
71.01322	0.9
71.04984	7.2
71.05318	0.9
73.02899	8.2
79.05453	1.1
80.73679	0.8
81.03400	25.4
81.07033	11.3
83.08590	3.3
85.02885	100.0
85.06543	1.4
87.00811	51.4
91.05461	1.0
92.08965	4.3
93.07015	1.1
95.08563	3.9
97.02867	30.5
99.04436	12.1
101.02319	0.8
105.01840	41.5
105.07007	1.7
107.08590	1.6
108.04465	1.1
109.02858	27.0
109.10136	1.4
113.02433	1.0
117.01843	4.6
119.08595	0.9
120.08047	1.1
121.10101	1.2
123.11684	14.8
127.03892	51.7
129.01819	3.5
132.43427	0.8
145.04921	17.7
147.02934	1.1
147.11639	3.8
150.23480	0.9
159.02856	12.7
165.12672	2.0
183.13756	5.6
189.03857	1.5
213.03865	1.1
231.04973	13.7
249.06010	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	379.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10928	1.4
67.05483	2.1
71.82310	1.6
77.85188	1.6
81.07030	2.5
92.08926	1.7
93.07012	2.8
94.54409	1.7
95.08572	2.0
98.97574	1.9
105.07026	2.5
109.10094	1.9
116.98607	3.4
135.78096	2.1
162.16740	1.8
215.70662	1.9
263.43457	1.9
292.98364	2.7
307.84906	1.5
379.24463	100.0
379.29269	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	379.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29468	3.0
55.05507	38.2
57.07070	25.8
66.64855	3.5
67.05492	40.5
69.07056	41.8
71.08617	8.4
79.05487	23.5
80.69964	3.1
81.07050	50.3
83.04969	18.9
83.08621	7.3
85.06552	8.1
91.05466	21.1
92.08979	28.7
93.07037	44.9
94.77559	3.3
95.08599	53.4
97.06524	18.3
105.07029	24.4
107.08591	43.7
109.06499	21.7
109.10143	16.8
111.04420	62.8
111.08060	5.8
119.08551	17.6
121.10136	20.5
123.08056	16.1
123.11719	4.2
125.05989	29.1
133.10136	7.5
135.08043	29.7
135.11668	22.5
137.05975	17.6
145.10130	18.3
163.11157	14.6
181.12291	14.7
195.13757	7.6
221.19041	3.6
247.51102	3.3
297.08359	4.4
305.24643	58.5
319.26190	7.5
347.25735	100.0
351.28775	23.5
361.27255	6.5
379.28568	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2839
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.51575	5.0
55.01860	8.3
55.05500	60.6
57.03417	6.4
57.07060	28.9
67.05489	52.1
69.07067	48.9
71.08603	12.8
76.56769	5.8
79.05463	40.5
81.07037	86.4
83.04959	10.9
83.08577	10.7
85.06522	11.7
91.05431	11.8
92.09123	47.8
93.07014	54.0
93.60102	5.8
95.04956	9.6
95.08585	60.8
97.06503	15.2
105.06989	30.6
107.08561	58.2
109.06502	14.9
109.10117	29.8
111.04417	93.9
119.08568	25.9
121.10096	15.1
123.08013	24.3
125.05959	36.9
133.10115	11.2
135.08055	31.4
135.11656	27.8
137.05943	15.1
145.10068	25.0
151.07541	9.8
163.11180	10.5
163.95018	5.9
180.30235	6.8
181.12117	8.2
195.13866	9.1
305.24680	100.0
315.48410	7.4
319.26208	26.4
347.25708	83.4
379.28198	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	380.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13267	0.4
53.03939	7.4
55.01871	2.4
55.05503	1.0
57.03421	4.3
60.04520	0.9
61.02908	2.9
67.05489	6.3
69.03416	27.3
69.07056	1.1
70.06573	1.1
71.04977	5.3
72.89831	0.4
73.02906	1.3
79.05474	4.4
80.14877	0.5
81.02930	1.2
81.03398	27.1
81.07035	6.1
83.04977	2.1
85.02890	37.1
85.06519	0.8
85.52741	0.4
86.06028	0.5
86.59339	0.5
87.04449	2.6
89.06005	1.2
91.05456	7.1
92.09223	0.5
93.07022	9.8
95.01305	61.9
95.04926	4.0
95.08587	17.0
95.91097	0.5
97.02870	20.0
97.06519	0.9
99.04427	6.2
103.05457	0.5
105.07009	4.2
107.04951	1.1
107.08575	4.8
109.02860	19.2
109.06506	4.1
109.10143	6.8
110.77917	0.4
111.08057	1.0
113.02349	100.0
113.05988	2.1
115.03905	0.6
117.06997	0.8
119.08559	10.6
121.06485	2.4
121.10120	2.4
123.04424	0.8
123.08045	6.5
123.11680	2.0
125.02344	5.1
125.06004	0.8
125.09586	0.9
127.03895	19.6
131.03394	0.7
135.08022	2.6
137.05898	0.8
137.09575	8.3
137.13232	1.0
139.07492	1.9
139.11212	0.6
143.06953	0.7
145.04933	3.3
147.08038	3.3
147.11649	1.1
153.09044	0.9
153.12782	0.6
155.03308	0.6
155.10721	0.7
165.09071	11.6
165.12689	1.2
170.64980	0.5
171.10188	1.1
176.95139	0.5
181.08574	3.5
182.08894	4.5
183.08800	0.7
183.10254	10.4
183.13777	2.1
199.09583	1.9
201.11322	6.3
221.04454	2.1
239.05446	23.3
257.06497	21.0
269.06302	0.9
280.18903	0.5
304.38129	0.5
381.11475	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1498
Annotation	heptacene
Peak:m/z	Relative Intensity
51.25322	0.2
53.03929	0.8
68.05018	2.2
69.03403	1.0
71.05000	0.2
71.29480	0.1
79.05478	0.7
81.03400	3.2
85.02895	1.0
91.05506	0.2
92.08855	0.4
93.07041	0.3
95.04979	1.7
95.06071	43.3
97.02871	1.4
97.07427	0.2
99.04379	0.2
100.69646	0.2
104.99290	0.2
105.03374	18.3
109.02842	0.7
113.07108	100.0
123.04401	0.4
127.03920	0.4
129.09882	0.2
137.61917	0.2
148.05215	0.7
181.08562	4.3
182.08911	2.9
193.31841	0.2
249.07545	0.7
300.30240	0.2
379.14944	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	378.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.4
57.03436	0.9
57.07065	7.7
61.02921	0.5
66.70586	0.3
67.05490	2.1
69.03418	1.9
69.07043	2.0
71.04963	0.6
79.05466	2.1
81.07042	4.2
83.04970	6.8
83.44557	0.3
85.02897	3.7
85.06528	3.8
91.05464	1.4
92.08746	0.6
92.09268	0.5
93.07030	8.0
95.04998	0.6
95.08591	10.1
97.02878	0.7
97.06516	3.8
105.07021	2.4
107.04964	0.5
107.08583	11.7
109.06518	3.5
109.10153	2.9
111.04429	84.9
111.08055	3.1
113.05978	1.9
117.06945	0.3
121.06477	2.7
121.10122	2.1
123.08070	0.6
125.05974	23.7
127.07513	4.1
135.08047	12.0
135.11671	17.4
135.12679	0.5
137.13217	0.8
139.07500	2.2
140.85007	0.3
145.04849	0.4
145.10104	14.7
147.04468	0.3
153.12733	4.2
163.11151	21.7
181.12201	100.0
199.13263	32.6
251.55110	0.4
282.88770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03943	6.2
53.40309	0.4
55.01866	0.6
55.05497	3.0
57.03422	2.1
57.07043	0.6
58.38829	0.4
60.41777	0.4
61.02898	0.5
63.73083	0.4
64.33958	0.5
67.05494	3.8
69.03417	10.2
69.07053	3.2
71.04959	2.8
73.02903	0.6
79.05474	7.6
80.13576	0.5
81.03400	21.1
81.07033	9.5
83.04946	1.1
83.08607	1.1
85.02886	9.3
85.06547	3.8
86.06050	0.6
91.05457	2.6
92.09092	2.3
93.07025	5.6
95.04955	9.7
95.08578	6.6
97.02864	11.9
97.06508	1.7
99.04437	2.5
99.08086	0.8
105.03374	100.0
105.07004	4.3
107.08587	6.0
108.05829	0.5
109.02866	7.3
109.06492	0.9
109.10132	2.4
111.08041	0.7
113.02348	63.2
113.09629	0.7
117.06995	0.9
119.08563	2.9
121.06481	0.5
121.10124	2.8
123.04380	4.7
123.08051	0.6
123.11713	0.9
125.09618	1.8
127.03903	5.5
129.06940	0.6
131.08534	0.8
133.10083	2.0
135.11665	1.9
137.13214	0.6
142.07756	0.7
143.08531	2.0
145.04985	0.7
145.10072	0.9
147.11714	0.6
157.10127	2.0
157.52205	0.5
159.11678	0.9
161.09822	0.7
161.13342	0.5
163.14818	2.6
167.07050	0.7
171.06622	0.6
171.11681	0.8
173.13104	0.5
179.07010	3.3
181.03581	0.5
181.04924	4.9
181.12230	0.8
181.15837	2.0
192.54564	0.4
199.14845	2.4
199.16776	0.7
205.89204	0.5
207.06551	3.2
217.15758	0.6
249.07547	13.4
265.50204	0.5
267.08527	3.0
268.51498	0.5
334.78769	0.5
352.29428	0.6
379.13547	13.2
379.21112	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10055	1.0
51.56031	1.0
55.01854	2.2
56.96555	1.7
57.03424	7.6
58.51286	1.2
60.04514	1.4
61.02881	1.7
67.11698	1.1
69.03416	11.0
79.05453	2.2
81.03374	5.2
81.07065	1.9
81.36508	1.2
83.04955	1.4
85.02884	23.7
91.05444	5.1
92.09040	3.2
93.07022	6.7
95.04927	1.7
97.02884	9.4
98.97585	2.0
101.75982	1.2
103.05441	13.4
105.07012	8.1
107.04933	66.9
107.08564	7.4
109.02840	2.6
111.07976	1.6
116.93990	1.3
117.07048	1.5
119.01913	1.3
121.06489	24.1
121.10149	1.4
123.04317	1.7
123.08018	1.4
127.03928	1.4
131.04906	7.3
133.06459	2.9
135.08022	21.4
137.05931	5.6
139.07552	2.2
145.06519	2.0
146.52428	1.4
148.05164	9.7
149.05959	16.1
153.09145	2.2
163.07497	31.3
164.90416	1.3
165.09087	1.8
181.08551	100.0
199.09650	7.2
378.11200	5.8
382.84204	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13132	0.1
51.42566	0.1
53.03929	0.2
55.01874	0.1
57.46763	0.1
61.02921	0.1
63.85268	0.1
64.33549	0.1
67.05482	0.1
69.03423	0.4
72.49943	0.1
75.31770	0.1
78.03436	0.2
78.04729	0.1
79.05475	0.5
81.03395	0.4
81.07047	0.1
85.02900	0.7
91.05460	1.2
92.06231	0.1
92.09184	0.1
93.07026	0.4
95.04932	0.8
96.04500	0.1
97.02860	0.4
105.03400	0.1
105.07000	0.1
106.02894	1.1
106.04147	0.4
107.04942	0.8
108.05708	0.4
109.02877	0.1
109.06494	0.7
109.10117	0.1
110.07243	0.1
111.04407	0.1
120.05701	0.3
121.06481	0.3
121.10102	0.2
123.04417	1.2
124.03922	4.2
127.03819	0.1
135.04411	0.3
135.11668	0.1
136.05159	0.7
137.05946	3.6
138.06726	2.2
145.84212	0.1
148.05162	14.2
149.05917	0.1
150.03065	0.1
151.03876	1.0
153.09076	0.1
154.06248	0.1
163.11111	0.1
165.05438	0.4
166.06184	0.7
169.08575	0.1
181.08551	100.0
182.08885	0.1
184.07317	0.2
184.41907	0.1
197.01060	0.1
199.09673	0.2
241.52016	0.1
250.06889	0.1
252.05688	0.1
268.08124	0.1
314.33130	0.1
338.33646	0.1
339.88361	0.1
378.11636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.4
55.01860	0.6
57.03419	1.1
61.02898	1.5
69.03409	2.7
72.39451	0.3
73.02899	0.4
79.05453	0.3
81.03384	1.6
85.02888	11.7
91.03904	0.3
91.05458	10.6
92.06197	0.3
92.09148	2.4
93.03354	0.5
93.07023	13.8
95.04941	2.9
97.02865	3.6
99.04433	0.6
103.05451	6.8
105.03359	0.3
105.07014	0.4
107.04872	0.3
107.08624	0.5
109.02850	0.7
111.04431	0.3
117.07021	0.4
119.04887	1.5
120.05686	1.6
121.06484	19.5
123.04372	0.6
123.08016	0.3
125.05943	1.3
127.03851	0.5
131.04929	0.4
131.05995	0.5
133.06508	0.5
134.52087	0.3
135.08034	0.6
136.05145	0.4
137.05965	2.3
138.06737	2.0
139.07466	0.5
145.04945	1.3
147.04373	1.3
148.05153	2.9
149.05956	6.8
151.03851	2.0
151.07529	0.5
153.05446	1.7
158.09900	0.3
166.06221	13.0
167.06989	0.6
179.07072	0.5
181.08560	100.0
184.07227	1.1
191.07124	0.3
199.09625	35.7
202.54021	0.3
209.08083	1.2
248.39630	0.3
307.11880	0.4
322.97852	0.3
328.12595	0.3
357.21298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01868	1.6
57.03418	0.8
57.08360	0.3
58.95314	0.4
59.79214	0.4
61.02904	2.5
65.03938	1.6
67.01910	0.4
67.05479	1.8
69.03416	4.2
71.04939	0.6
71.83336	0.4
73.02892	1.7
73.09888	0.4
81.03388	2.6
81.34357	0.5
85.02885	15.8
92.08752	0.8
92.09279	0.8
94.21777	0.4
95.04942	22.0
97.02871	5.7
105.04487	0.9
109.02788	1.5
109.06496	0.6
110.03632	0.4
121.02834	0.9
123.04402	13.4
125.02321	4.9
127.03896	1.8
140.04655	100.0
145.04935	2.2
153.05423	0.5
155.06995	30.6
167.03336	2.0
173.08063	2.7
180.08597	4.4
181.04924	9.8
181.08510	0.9
187.66946	0.4
199.05977	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04135	0.2
55.01857	0.3
55.05497	0.2
57.03412	1.2
57.20358	0.2
61.02895	1.1
65.09665	0.2
66.80179	0.2
67.05490	0.2
69.03425	2.3
71.04985	0.2
73.02874	0.3
74.02062	0.2
77.96191	0.2
79.05476	1.5
81.03394	1.6
81.07034	0.3
85.02891	9.4
91.05451	1.3
92.09187	0.3
93.07024	2.2
94.04157	0.4
95.04941	1.3
97.02881	2.6
99.04424	0.2
107.04941	0.4
107.08562	0.2
109.02847	0.5
109.58349	0.2
111.08072	0.2
115.05451	0.3
119.04920	0.8
121.06474	3.9
122.03603	2.2
123.04424	0.8
123.08063	1.4
123.62231	0.2
127.03873	1.3
131.04922	0.8
132.28989	0.2
135.08043	0.3
137.05959	100.0
138.06287	0.3
139.07507	2.7
140.04642	2.6
145.04967	1.1
145.06500	0.3
149.05957	1.1
151.07527	1.1
155.07001	0.5
163.03908	0.4
163.07568	1.9
167.07001	13.0
175.07558	0.3
181.08554	10.6
190.85661	0.2
199.05986	1.0
199.09619	5.0
209.77293	0.2
378.08606	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	377.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
55.05508	26.7
57.03426	6.9
57.07070	1.4
58.21470	0.9
61.64767	0.8
62.68657	0.9
64.73551	0.9
65.03934	1.2
67.05492	31.0
69.03426	5.2
69.07056	26.2
71.04980	8.2
74.95691	1.2
79.05482	17.4
81.03395	1.6
81.07040	78.9
83.04970	6.2
83.08604	18.3
85.02880	5.5
85.06535	14.4
88.84435	1.1
91.05460	22.2
92.08932	7.0
93.07018	26.3
95.04939	2.4
95.08585	100.0
97.02850	1.3
97.06518	18.4
97.10152	8.5
98.62540	1.1
99.08083	8.7
101.05976	1.3
105.07014	30.6
107.08572	13.7
109.02918	1.4
109.06493	2.1
109.10154	8.2
111.08078	5.2
112.16579	1.2
113.09595	1.7
115.07557	1.1
117.07008	1.8
119.08558	41.1
121.10134	13.0
123.08047	6.9
127.07540	1.2
133.10121	26.7
135.11662	20.9
137.09584	1.8
137.13226	16.0
141.09065	1.4
145.10091	1.1
161.13229	75.7
179.14282	52.9
197.15332	17.2
215.16263	1.3
217.19905	1.2
227.10600	1.4
239.43073	1.3
248.83823	1.1
262.96851	1.2
324.59244	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01145	0.9
53.03933	1.1
55.01856	2.1
55.05503	21.0
57.03422	5.5
57.07056	2.2
67.05495	28.0
69.07055	25.0
71.04977	9.8
73.06505	1.1
79.05473	14.3
81.07040	68.6
83.04972	6.4
83.08599	17.2
85.02882	3.8
85.06543	10.6
87.58779	0.8
90.73339	1.0
91.05463	20.7
92.09019	4.4
93.07027	24.8
95.04941	2.3
95.08583	100.0
97.06512	18.9
97.10146	5.6
99.08054	7.3
105.07008	30.1
107.08556	11.1
109.06490	3.7
109.10143	10.8
111.08070	3.9
113.09652	2.0
115.07568	1.3
119.08556	49.6
121.10121	12.9
123.08042	7.7
133.09171	1.9
133.10107	30.8
135.11676	25.6
137.05927	1.3
137.09602	3.6
137.13235	17.1
146.36111	1.2
161.13217	85.6
179.14265	67.8
197.15331	19.6
207.36475	1.0
215.16388	70.0
255.59117	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23246	0.3
51.46907	0.3
53.03741	0.2
53.03942	3.3
53.04708	0.2
54.82172	0.2
55.01863	0.5
57.03424	1.1
57.25210	0.2
61.02895	0.5
68.54901	0.2
69.03412	8.1
70.06582	1.0
71.04964	0.7
73.02912	0.3
79.05475	6.8
81.03395	12.8
81.07030	0.6
83.47437	0.3
85.02886	10.4
86.09682	1.8
91.05433	0.4
92.08956	0.5
92.16553	0.3
93.07027	0.5
95.04944	4.4
97.02880	6.6
99.04417	2.1
103.93201	0.3
105.03371	100.0
105.06998	0.7
106.03706	0.4
109.02867	7.0
116.07107	1.4
120.08097	2.2
122.03567	0.3
123.04408	10.6
127.03885	4.9
133.10097	0.5
134.52805	0.3
137.05893	0.3
145.04941	0.7
178.92369	0.3
179.07011	0.5
179.10628	1.3
197.08018	0.6
231.06418	0.4
249.07520	12.5
267.08569	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	377.1447
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03947	3.7
55.01862	4.3
55.05471	2.3
57.03428	16.5
59.04968	1.1
61.02918	8.2
61.57156	0.4
62.15560	0.5
67.05456	2.5
68.13759	0.4
69.03413	25.0
69.07037	0.6
71.01354	3.5
71.01645	0.4
71.04983	5.7
72.08121	0.5
72.76318	0.5
73.02905	3.6
75.04459	4.4
79.05444	2.2
81.03415	6.4
81.07040	12.9
83.04945	1.0
83.08546	0.5
84.49303	0.5
85.02883	5.8
85.06506	2.8
87.04433	0.7
91.05423	1.9
93.06999	2.7
95.04917	1.0
95.08595	3.5
97.02849	2.3
97.06470	0.9
99.04432	7.9
99.08039	0.6
105.03375	3.7
105.07011	4.6
107.08572	3.5
109.02831	1.0
109.06512	6.7
109.10121	2.5
111.08092	0.6
117.05492	0.7
119.08521	3.2
121.10113	0.7
122.03693	0.5
124.07545	3.2
125.05978	4.2
125.07938	0.5
125.09597	0.6
127.03831	1.1
133.10101	7.3
135.11642	3.1
137.05957	54.9
137.09546	2.7
138.09074	2.1
142.18379	0.5
145.07565	3.6
147.08009	0.5
150.12680	0.9
153.12703	1.0
157.06308	0.7
161.09572	2.8
161.13156	1.0
170.07097	3.0
172.08662	58.4
174.10245	0.9
179.10635	15.8
179.14243	3.8
184.08559	0.5
190.09662	2.6
197.11664	11.8
197.15277	3.6
198.06580	12.1
200.08151	7.9
213.11177	0.6
214.14345	6.0
215.14590	3.7
216.07655	31.9
218.09259	1.2
224.12154	0.5
225.08191	0.5
243.08716	100.0
244.06992	1.2
255.39410	0.5
359.13431	3.3
377.14478	95.7
401.59207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2375
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03945	0.7
54.29290	0.4
55.01854	2.8
55.05505	9.6
57.03401	0.6
57.07055	2.4
61.02898	1.8
67.05484	4.0
69.03413	6.3
69.07053	25.7
71.04981	3.9
71.08583	0.4
79.05472	5.5
81.03397	1.1
81.06599	0.8
81.07042	19.2
83.08600	10.3
85.02891	10.1
85.06536	4.6
91.05448	2.9
92.08965	0.6
93.07027	17.5
95.04912	0.9
95.08587	40.2
97.02879	1.9
97.06501	0.4
97.10155	6.5
99.08075	26.3
105.03349	0.7
105.07032	3.9
107.08579	47.3
109.02904	0.8
109.10133	12.4
111.08064	11.4
111.11703	1.9
113.09627	2.8
119.08576	2.0
120.60841	0.4
121.10121	73.9
123.08011	0.6
123.11672	1.9
125.09608	6.3
127.03912	0.9
130.30237	0.4
130.43936	0.5
135.11665	13.9
137.13237	8.6
139.11134	2.6
140.94855	0.4
149.13203	4.4
160.03252	0.5
167.06989	4.3
177.16350	100.0
195.17393	18.2
213.18463	31.9
234.12099	0.4
243.78230	0.4
289.72327	0.5
313.10608	0.7
325.10501	1.9
356.44235	0.5
357.13110	1.0
375.14496	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01860	1.1
55.57692	0.2
57.03439	2.4
61.02917	4.1
62.73982	0.2
67.05502	0.3
68.63789	0.2
69.03074	0.4
69.03419	8.2
69.59076	0.2
71.01389	0.3
71.04977	1.0
73.02906	2.2
81.03398	3.8
81.07024	0.3
83.01332	0.5
83.04936	0.4
85.02894	26.0
85.42236	0.3
87.04429	0.5
91.03926	1.7
91.05457	0.6
92.08802	0.5
92.09311	0.3
93.07034	0.3
97.02872	8.1
99.04437	1.6
105.07018	0.9
107.08594	1.1
109.02876	2.3
109.06496	0.5
109.10126	0.3
113.06008	0.3
115.03884	0.3
115.05443	0.3
119.08518	0.3
121.10123	0.3
122.03583	0.6
127.03893	3.7
131.08540	0.3
133.10063	0.3
135.08057	0.5
136.08426	0.3
137.05963	100.0
145.02847	0.5
145.04950	3.9
149.05936	0.3
149.09602	0.3
151.07536	1.8
161.09598	0.3
163.03867	1.1
177.05418	0.5
177.09142	0.3
178.09427	0.3
179.07027	17.0
179.10600	3.7
180.08647	1.4
197.08093	4.1
213.11205	1.5
214.11392	1.2
245.08023	0.3
277.40298	0.3
350.26370	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2374
Annotation	Platanionoside J
Peak:m/z	Relative Intensity
51.55246	0.7
53.00294	0.8
53.03939	3.7
53.76318	0.8
55.01867	7.3
55.05504	28.2
57.03426	14.4
57.07060	7.5
59.04980	5.5
61.02915	17.5
67.05492	12.4
69.03416	52.0
69.07051	53.2
71.04987	11.7
73.02896	6.7
75.32970	0.9
79.05463	7.2
81.03389	18.4
81.07037	33.6
83.01350	0.9
83.04967	12.3
83.08595	10.3
85.02888	100.0
85.06527	20.5
87.04453	7.5
91.03933	4.6
91.05468	2.2
92.09061	1.3
93.07024	20.9
95.08578	49.2
97.02874	38.1
97.06503	6.2
97.10130	14.2
99.04429	6.5
99.08067	27.3
101.02348	1.4
105.07009	3.8
107.08582	28.9
109.02857	13.2
109.10143	20.2
111.08083	4.2
111.11708	7.5
113.09609	7.0
119.08532	1.5
121.10113	35.6
123.11694	8.4
125.09586	7.2
125.13194	1.0
127.03893	17.5
127.11250	1.2
133.10046	1.3
135.11667	22.7
137.13206	14.4
139.11143	7.7
145.04971	9.6
148.53366	1.1
149.13234	4.3
151.07593	1.0
151.14787	3.7
153.12753	11.0
159.46542	0.9
169.95352	0.9
177.09074	4.7
177.16342	65.0
195.17422	26.8
213.18454	47.1
375.23767	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1645
Annotation	Deoxyloganin
Peak:m/z	Relative Intensity
53.03926	1.3
53.61621	0.4
55.01857	2.4
55.05502	2.1
55.83772	0.4
57.03436	3.8
59.05004	0.8
61.02914	4.3
65.52021	0.5
67.05509	0.9
69.03418	13.3
69.07059	0.8
70.06571	0.7
71.04978	1.2
72.08116	0.6
73.02899	2.0
79.05473	4.8
81.03407	4.9
81.07034	3.3
83.01335	0.6
84.08094	0.7
85.02889	38.0
85.06554	0.6
86.09685	1.2
86.66080	0.5
87.04455	2.5
91.03931	0.8
91.05459	6.8
92.08980	3.6
93.07024	8.3
95.04950	1.0
95.08558	0.9
97.02860	8.7
99.04447	2.8
105.03366	0.7
105.07011	10.5
107.04965	1.0
107.08578	41.2
109.02881	3.5
109.06496	4.0
109.10149	0.9
111.08078	0.8
115.03944	0.5
117.07040	0.6
119.08565	16.4
121.06446	1.2
121.10122	19.7
123.08036	3.9
123.11720	0.7
125.09590	0.9
127.03892	4.8
127.07545	0.9
128.98669	0.6
129.06981	0.5
131.08554	10.0
133.06503	1.0
133.10103	3.1
135.04414	0.9
135.08047	7.7
137.05983	2.2
137.09586	0.8
145.04976	1.2
147.08047	8.2
149.09593	25.5
151.07489	1.3
151.11197	0.8
151.98190	0.5
153.05414	0.9
153.09085	3.9
153.33113	0.6
159.08012	3.3
161.09561	0.7
163.31967	0.6
165.09085	6.2
166.08310	0.6
167.10681	3.0
169.04741	0.6
169.11429	0.5
173.12740	0.6
177.09074	21.2
177.12599	0.7
179.10707	6.0
182.53647	0.5
195.10130	8.1
213.11189	100.0
213.35291	0.5
220.42542	0.5
232.27081	0.6
232.29652	0.5
242.30249	0.6
245.04866	0.6
375.16095	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43418	0.7
55.05503	0.7
55.93526	1.2
56.05017	1.7
57.07063	1.5
58.06587	0.7
61.36860	0.6
70.95843	0.8
72.93754	1.6
74.06042	1.2
84.53197	0.7
84.86104	1.0
88.07619	9.1
90.94799	1.9
91.03721	0.8
91.05461	0.9
92.08869	7.0
96.07494	0.7
101.21011	0.7
112.25444	0.8
118.08709	0.8
159.46548	0.8
161.88116	0.9
165.00020	3.1
166.68440	0.9
169.98709	0.8
180.57118	0.8
234.78780	0.8
326.34100	5.2
329.11789	1.3
331.13525	1.0
333.15088	21.7
374.30243	100.0
374.36093	13.9
375.30557	1.1
395.80304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1283
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
52.27258	1.5
54.49236	2.3
57.03423	2.5
58.19744	1.6
60.37632	2.0
61.02900	11.6
65.03922	3.5
67.05482	2.5
69.03423	7.8
72.08130	3.7
79.05469	18.1
81.03392	2.8
81.07056	1.9
84.08118	2.4
85.02893	20.3
85.70285	2.1
86.09691	3.0
91.05468	3.9
92.08997	8.3
93.03381	3.2
94.04221	2.1
95.04941	3.7
95.08620	2.0
97.02841	3.1
97.79161	2.2
98.97554	3.4
106.02920	4.3
107.03281	2.2
107.04939	33.8
107.08573	2.6
109.02906	2.7
109.06503	3.1
110.03651	21.4
111.04427	13.3
119.04906	3.0
121.06464	11.8
122.03591	8.9
124.03941	8.8
125.04234	4.0
125.05969	68.7
125.06847	4.1
127.03915	4.0
131.01094	2.2
133.02829	12.4
135.04399	34.9
136.07677	2.8
137.05962	47.3
141.05444	2.8
146.05998	2.6
147.04405	3.1
149.05945	30.0
150.03107	10.6
151.03886	100.0
151.04971	6.7
153.05444	11.9
161.05962	12.9
163.03864	8.7
165.05464	41.5
167.07014	19.7
175.07544	2.7
177.05444	26.7
178.04964	4.7
195.06470	20.1
199.75905	2.3
203.06967	8.0
203.08751	2.1
213.07538	64.4
213.10991	2.4
221.08047	2.6
225.12289	2.6
336.91293	2.1
375.06659	1.9
375.08090	2.4
375.12271	25.4
375.16180	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	374.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34219	1.0
51.53604	1.0
53.00293	2.0
53.03937	2.4
55.01855	8.4
55.05270	1.9
55.05510	41.2
56.76661	1.3
57.03414	3.5
57.59712	1.4
59.04975	2.6
59.57352	1.3
60.92267	1.3
63.51572	1.1
65.03915	1.9
67.05492	74.0
69.03405	5.8
69.07056	37.1
71.04977	100.0
71.48421	1.3
73.06535	2.9
79.05479	52.9
81.03411	1.9
81.07040	74.2
83.04957	7.7
83.08607	20.9
85.06525	8.8
91.05460	29.1
92.08660	4.7
92.09288	8.2
93.07021	54.7
95.04940	7.5
95.08591	39.1
97.06514	14.1
97.10156	26.6
99.08057	2.9
105.07014	34.7
107.04926	8.5
107.08584	51.6
109.06500	8.8
109.10141	50.8
111.04325	1.4
111.08051	6.5
115.07504	1.5
117.07001	12.6
119.08557	27.7
121.06476	2.0
121.10133	19.1
123.08018	5.3
123.11706	2.7
125.09591	22.5
131.08519	18.3
133.10098	22.9
135.08047	7.6
135.11668	18.8
137.09583	5.8
145.10135	11.9
147.11678	8.5
149.09607	11.6
149.13222	9.6
151.11134	1.7
153.09116	1.9
153.12694	1.6
155.10629	7.5
159.11661	20.4
161.13278	3.3
163.11153	2.0
165.12779	1.5
173.11725	39.6
173.13182	6.2
177.12706	16.6
183.11641	1.6
187.11589	1.9
187.13264	25.4
203.12706	12.7
209.15335	7.4
227.16431	2.8
239.17810	2.1
241.17921	32.0
244.81247	1.7
257.18909	6.3
275.20035	25.3
289.21387	10.1
301.26089	1.4
307.22571	7.9
321.24268	3.5
330.42578	1.5
374.36130	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	2.3
53.03931	2.1
55.01860	10.0
55.05509	36.3
57.03429	13.4
59.04982	3.2
66.92662	1.4
67.05141	3.0
67.05494	82.4
69.03410	2.6
69.06710	2.3
69.07056	43.5
71.04978	86.3
76.56641	1.5
79.05477	76.2
81.03397	3.3
81.07042	100.0
83.04958	9.8
83.08612	23.9
85.06518	8.9
91.05464	51.2
93.07024	80.3
95.04977	11.8
95.08592	45.6
97.06505	14.6
97.10146	23.8
99.08084	1.9
105.07015	42.1
107.04939	3.2
107.08586	54.1
109.06517	12.8
109.10148	42.7
111.08045	10.0
113.09597	3.1
117.07008	20.7
119.08562	34.6
121.06485	2.7
121.10120	29.8
123.08067	6.6
123.11652	6.4
125.09620	20.5
129.06950	2.5
131.08546	21.8
133.10115	26.7
135.08052	6.6
135.11681	17.3
137.09599	7.6
139.11150	1.9
141.06969	1.9
143.08557	3.5
145.10074	13.8
147.11678	18.8
149.09587	7.0
149.13242	15.2
151.11165	3.1
155.10657	2.6
157.10086	8.7
159.11665	20.9
161.13220	3.0
163.11116	3.4
165.12738	3.9
168.09109	1.6
171.11685	6.1
173.11804	20.4
173.13141	4.1
175.14771	3.4
177.12735	10.0
177.16446	1.5
187.13318	14.4
195.13780	11.2
199.14766	2.8
203.12718	10.4
206.23975	1.7
209.15379	2.8
213.14851	2.7
217.15791	3.4
219.17429	2.5
227.16437	15.4
229.19597	1.9
239.17844	2.1
241.17928	8.7
249.18527	9.1
257.18887	8.6
275.20038	34.7
281.21149	12.7
289.21454	12.7
307.22546	10.4
321.24210	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	374.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
54.11298	0.2
55.01855	0.5
55.05497	0.5
57.03423	0.9
59.39364	0.2
61.02907	1.3
63.02350	0.2
67.05495	0.4
69.03413	2.3
69.07085	0.2
70.06574	0.4
71.04966	0.3
72.08131	1.0
77.08218	0.2
78.04686	0.2
78.27106	0.2
79.05458	0.3
81.03407	1.7
81.07026	0.3
82.98129	0.2
83.04968	0.6
85.02881	6.9
86.09691	0.5
89.03883	5.0
91.03925	0.2
91.05460	1.5
92.08936	0.3
93.07025	0.6
95.04940	1.0
95.08566	1.0
97.02882	1.8
99.04424	0.4
100.80949	0.2
103.05490	0.4
105.03373	2.2
106.04229	0.3
107.04897	0.9
107.08579	0.4
109.02892	0.4
109.06472	0.4
109.10104	0.4
111.04411	0.2
117.03352	21.9
119.04900	0.4
121.06464	0.5
123.04423	0.5
124.07568	1.8
127.03912	0.9
131.08511	0.4
134.03621	2.1
135.04399	3.7
137.09576	0.6
138.05315	0.2
138.09056	0.4
145.02821	64.9
147.04323	0.5
149.05960	11.2
150.09108	0.4
153.05409	1.1
162.03014	0.9
163.03870	5.5
167.07002	1.1
168.07841	0.9
177.05424	100.0
180.08569	1.1
182.92999	0.2
193.30586	0.3
194.59346	0.3
195.06488	26.7
196.10794	0.3
212.12784	1.2
222.11227	0.3
335.37076	0.3
354.09393	0.3
354.81223	0.3
373.17789	0.4
374.18472	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52524	0.4
53.03928	0.6
55.01865	0.6
56.96545	0.6
57.03420	2.0
57.41673	0.5
59.04995	0.6
59.14527	0.4
59.90401	0.4
61.02906	0.7
65.65163	0.4
69.03412	7.0
71.04945	0.7
72.08138	0.8
73.02901	0.9
74.73295	0.5
79.05466	0.7
81.03404	1.1
84.08116	3.1
85.02883	9.8
86.09677	0.8
87.04437	0.6
88.02409	0.5
97.02879	4.1
98.97557	0.7
99.04425	1.0
99.13094	0.7
103.05410	1.3
106.06554	0.5
107.04915	0.5
108.08054	0.6
117.05454	0.6
120.08067	4.0
124.07516	1.2
127.03872	3.2
129.10216	1.1
130.06508	2.4
131.04868	0.8
131.07213	0.8
133.05194	9.4
134.06009	4.5
136.06157	24.2
136.07523	2.6
145.04941	2.3
147.06740	0.8
148.07545	77.3
150.05516	1.1
150.09138	1.1
152.07048	16.7
163.03856	0.7
164.07028	46.4
166.08601	14.8
176.07028	74.8
178.08601	0.9
194.08086	100.0
212.09158	21.1
212.12524	0.5
270.78244	0.6
300.35214	0.6
356.13303	6.0
360.21262	0.6
374.14368	72.9
384.11026	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
54.81812	0.5
55.01865	4.4
55.05504	0.5
57.03439	3.6
57.20653	0.4
61.02925	3.6
61.76078	0.4
65.03920	1.0
66.28118	0.5
68.99763	1.1
69.03414	17.8
71.04969	3.4
73.02892	3.4
74.88305	0.5
79.05460	0.8
80.88135	0.4
81.03399	15.1
81.07021	0.5
83.01282	0.4
83.05009	0.6
83.06089	0.7
84.04504	0.8
85.02891	49.2
86.09688	3.5
87.00318	0.9
87.00817	21.3
91.05460	100.0
92.09162	1.0
93.07058	1.8
95.04931	0.6
97.02864	15.6
99.04433	7.1
103.03886	0.8
105.01853	17.0
105.03374	15.1
105.07003	3.2
107.08564	1.0
108.04475	2.2
109.02863	15.8
109.06479	0.7
115.03957	0.6
117.01865	0.8
117.06975	0.8
119.04902	0.9
119.08525	1.9
121.10045	0.7
123.04421	1.0
123.11687	2.4
127.03894	24.6
129.01845	2.0
129.06993	1.0
131.08580	2.0
132.10161	0.7
133.06473	0.7
135.04385	6.6
137.09596	0.6
143.08440	0.7
145.04933	10.6
145.06589	0.7
145.10057	0.7
147.02873	0.9
147.11679	0.7
149.05957	6.4
159.02863	5.9
163.03859	2.4
171.07986	0.8
177.05414	2.0
177.09093	2.4
189.03960	0.5
194.11711	0.8
195.06541	1.1
197.12881	0.6
199.07460	0.7
213.03922	0.5
217.08560	0.7
231.04945	5.4
248.07748	0.5
249.07851	1.0
321.09607	1.1
362.40244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
54.11298	0.2
55.01855	0.5
55.05497	0.5
57.03423	0.9
59.39364	0.2
61.02907	1.3
63.02350	0.2
67.05495	0.4
69.03413	2.3
69.07085	0.2
70.06574	0.4
71.04966	0.3
72.08131	1.0
77.08218	0.2
78.04686	0.2
78.27106	0.2
79.05458	0.3
81.03407	1.7
81.07026	0.3
82.98129	0.2
83.04968	0.6
85.02881	6.9
86.09691	0.5
89.03883	5.0
91.03925	0.2
91.05460	1.5
92.08936	0.3
93.07025	0.6
95.04940	1.0
95.08566	1.0
97.02882	1.8
99.04424	0.4
100.80949	0.2
103.05490	0.4
105.03373	2.2
106.04229	0.3
107.04897	0.9
107.08579	0.4
109.02892	0.4
109.06472	0.4
109.10104	0.4
111.04411	0.2
117.03352	21.9
119.04900	0.4
121.06464	0.5
123.04423	0.5
124.07568	1.8
127.03912	0.9
131.08511	0.4
134.03621	2.1
135.04399	3.7
137.09576	0.6
138.05315	0.2
138.09056	0.4
145.02821	64.9
147.04323	0.5
149.05960	11.2
150.09108	0.4
153.05409	1.1
162.03014	0.9
163.03870	5.5
167.07002	1.1
168.07841	0.9
177.05424	100.0
180.08569	1.1
182.92999	0.2
193.30586	0.3
194.59346	0.3
195.06488	26.7
196.10794	0.3
212.12784	1.2
222.11227	0.3
335.37076	0.3
354.09393	0.3
354.81223	0.3
373.17789	0.4
374.18472	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01855	0.6
57.03428	1.9
59.66243	0.3
61.02909	2.7
69.03412	5.3
70.06567	0.4
71.05005	0.5
73.02887	0.6
76.16066	0.3
81.03419	2.1
85.02886	20.5
87.04449	0.4
89.03889	5.3
91.03947	1.6
91.05470	0.5
93.03349	0.3
93.70747	0.3
97.02876	5.4
99.04420	0.7
103.05504	0.4
106.04164	0.4
109.02879	1.3
117.02514	0.6
117.03354	17.2
120.41990	0.3
127.03928	2.4
134.03621	1.9
135.04398	2.8
145.02823	65.0
145.04866	2.6
149.05956	11.1
151.83150	0.4
153.05446	0.6
162.03105	1.4
163.03877	6.6
164.04239	1.3
177.05423	100.0
178.05765	0.4
180.08623	1.3
195.06487	30.4
310.40024	0.3
322.77521	0.4
331.47235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1441
Annotation	Prochlorperazine
Peak:m/z	Relative Intensity
51.55316	0.4
55.64108	0.4
57.03425	1.2
61.02914	1.0
69.03422	4.0
72.08130	0.5
73.02892	0.9
79.05460	0.8
81.03352	0.7
81.37045	0.5
84.04517	0.6
84.08123	2.8
85.02894	5.3
86.09689	1.0
87.04466	0.8
90.40968	0.5
92.08968	2.5
97.02859	2.8
103.05473	1.1
105.03353	0.7
106.06535	0.6
109.02859	0.9
110.07166	0.6
119.04838	0.6
120.08085	3.1
124.03949	0.8
124.07574	1.9
129.10223	0.6
130.06508	2.6
131.04948	0.8
131.07181	0.5
133.05212	10.2
134.05977	5.1
136.06184	4.5
136.07552	3.2
137.08301	0.8
145.04903	0.5
148.07550	80.6
150.05450	0.5
152.07034	16.9
163.03947	1.1
164.07030	46.8
166.08600	14.0
176.07027	70.3
178.08629	2.3
194.08086	100.0
209.08009	0.5
211.20627	0.5
212.09137	22.2
356.13306	7.2
374.14380	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.7
54.81430	0.8
57.03419	3.1
61.02918	1.3
65.17507	0.7
69.03414	14.1
71.04991	2.6
71.18418	0.6
73.02903	1.5
78.03442	16.0
79.73478	0.7
80.04990	1.1
81.03400	23.7
85.02889	22.8
86.09682	4.6
87.04456	0.9
89.03894	5.7
91.03915	0.7
91.05505	0.8
92.08717	1.4
95.04949	1.0
96.04478	3.5
97.02879	9.4
99.04436	4.5
106.02899	70.0
108.41094	0.8
109.02848	12.3
109.57159	0.7
113.78508	0.7
117.03362	16.2
120.08072	1.7
124.03928	100.0
126.49766	0.7
127.03909	5.3
134.03606	0.9
135.04382	5.0
136.04846	1.0
136.24059	0.7
138.09126	1.0
139.68611	0.7
145.02831	61.7
149.05966	11.4
160.44725	0.7
163.03886	11.3
164.04237	1.7
165.04472	0.8
166.04919	0.9
166.08629	1.3
177.05437	96.5
185.25406	0.7
195.06497	31.2
212.09148	3.0
232.05919	1.1
250.07042	14.2
268.08109	33.6
282.42264	0.8
296.45544	0.8
373.17429	0.8
374.14291	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	374.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01841	0.7
57.03421	1.0
59.04969	0.8
61.02913	2.9
69.03414	5.7
70.06564	2.5
73.02872	0.7
76.26078	0.4
81.03402	2.9
81.03838	0.4
83.04958	0.5
83.23513	0.4
85.02888	20.2
89.03902	4.4
91.03931	0.9
91.05475	0.7
92.08849	0.8
92.09338	0.5
96.70860	0.4
97.02869	6.9
97.30136	0.4
99.04439	0.8
105.03429	0.4
106.04137	0.4
109.02840	2.5
117.02515	0.7
117.03349	19.2
119.04913	0.5
123.19035	0.4
127.03868	2.4
131.04875	0.4
131.08504	0.4
132.04247	0.4
134.03604	2.3
134.05954	0.7
135.04379	4.2
139.52916	0.4
145.02824	64.6
145.04863	2.0
147.04427	0.7
148.07547	1.7
149.05946	10.2
153.05412	0.9
162.03046	1.0
163.03877	8.8
164.04216	4.8
165.04372	2.7
177.05428	100.0
180.08614	1.0
194.08096	2.0
195.06496	29.8
245.03314	0.4
312.45956	0.4
373.18564	0.6
374.14355	0.6
374.18576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92959	0.7
53.03943	7.6
54.12044	0.6
54.26390	0.6
55.01872	8.4
55.05497	2.7
55.06044	0.7
57.03435	5.4
60.04493	0.7
61.02920	6.3
67.05490	1.0
68.99767	1.5
69.03416	27.6
69.79072	0.6
71.04973	5.9
72.08124	0.8
73.02892	6.5
74.73183	0.7
77.03961	1.2
79.05477	7.2
81.03403	35.7
81.07047	1.7
83.04967	1.1
84.24176	0.9
85.02895	57.2
86.09679	0.9
87.00816	24.3
87.04451	1.7
91.03956	1.8
91.05470	1.3
92.08900	4.1
93.07041	4.6
95.04946	4.8
95.08596	3.7
97.02869	29.8
99.04437	13.0
104.55275	0.7
105.01876	12.9
105.03376	100.0
105.07025	1.8
106.03706	4.2
106.07348	0.8
107.08585	3.0
108.04474	3.2
109.02870	26.3
109.06496	1.0
109.10143	6.1
111.08046	1.4
115.03876	1.0
117.01853	3.2
117.06979	1.1
119.08572	3.4
121.10127	3.0
123.04397	11.1
123.08065	3.3
126.05515	1.5
127.03895	38.4
129.01813	3.4
133.10123	3.5
135.11693	0.9
137.09604	5.2
138.09976	0.9
145.04941	15.5
147.08043	0.8
149.02351	4.1
149.09514	1.2
159.02866	12.0
165.58272	0.8
175.14790	3.1
176.15163	1.2
183.07457	0.9
193.15858	1.5
194.16121	0.9
211.16933	3.7
212.17152	1.4
231.04956	6.1
248.07571	1.5
249.07599	20.1
267.08597	10.7
268.09143	1.0
322.14941	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85074	0.2
53.00312	0.2
53.03938	4.7
54.04784	0.2
55.01857	0.2
55.25700	0.2
57.03424	0.9
61.02913	0.3
69.03074	0.3
69.03417	8.2
70.03723	0.4
71.04948	1.1
71.17962	0.2
77.03895	0.4
79.05468	6.4
80.05803	1.3
81.03395	16.5
81.07018	0.2
82.03732	0.9
85.02888	8.5
85.06552	0.2
86.03219	0.5
92.09163	0.2
93.07059	0.3
95.04938	4.8
96.05271	0.5
97.02869	8.6
99.04413	2.0
105.03369	100.0
105.97946	0.2
106.03697	13.9
107.08611	0.3
109.02851	8.6
109.03602	0.3
109.10107	0.2
114.77103	0.2
123.04392	7.9
124.04739	2.3
127.03883	5.5
128.04218	0.4
133.10077	0.9
134.10454	0.3
138.09917	0.4
145.04904	1.8
148.63895	0.2
152.74542	0.2
244.82698	0.2
249.07507	16.7
250.07870	1.6
267.08536	8.2
267.11121	0.4
268.08896	2.4
272.23148	0.2
357.34573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07212	3.1
52.07466	2.7
53.00298	3.6
53.03917	3.7
55.05506	76.9
56.96554	5.6
57.03420	17.5
57.07061	15.0
63.49361	3.1
65.03944	2.7
67.05495	73.9
69.07053	96.7
71.04960	5.3
71.08609	3.6
79.05472	35.8
81.06589	6.1
81.07034	100.0
83.04956	4.6
83.08605	67.6
91.05453	27.3
92.09070	12.6
93.07026	38.9
95.04942	5.8
95.08584	78.9
97.06524	12.9
97.10140	42.7
100.59300	3.0
105.07008	23.0
107.08560	29.7
109.10128	41.1
111.08193	3.9
111.11677	6.9
119.08554	26.6
121.10105	26.7
123.11665	7.9
133.10086	15.0
135.11670	13.8
146.99641	4.1
147.11696	7.3
149.13199	7.8
161.13191	13.9
175.14803	4.6
176.42812	3.1
193.15837	3.6
245.22713	4.3
263.23517	16.9
315.16391	5.3
333.17261	14.0
337.27325	5.9
351.18298	5.3
355.28348	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.2
55.24957	0.1
56.96547	0.1
57.03429	0.8
58.42132	0.1
61.02919	1.0
66.57904	0.1
69.03416	1.8
69.11450	0.1
70.06561	0.2
71.04964	0.3
72.08138	0.6
73.02883	0.7
75.08104	0.1
77.12399	0.1
81.03398	0.9
84.04494	0.2
84.08120	1.7
85.02885	5.7
86.06073	0.2
86.09683	0.6
87.04417	0.6
91.03918	0.5
94.04034	0.5
95.90292	0.1
97.02866	2.0
98.97535	0.3
99.04411	0.5
109.02844	0.6
116.07087	0.1
116.98624	0.2
119.01892	0.3
119.03540	1.4
124.07533	0.1
127.03894	1.3
129.10271	0.8
130.06335	0.1
130.08536	0.1
131.01866	0.2
133.03474	0.1
133.05177	0.6
134.05963	0.2
136.06160	100.0
137.04573	1.2
137.06551	0.2
143.01904	0.2
145.03891	0.1
145.04922	1.4
147.04933	0.1
147.11243	0.2
148.07545	5.0
148.08665	0.3
149.01231	0.2
150.05481	0.1
152.07008	1.2
155.01869	0.2
157.03343	0.2
163.04532	0.1
163.05984	0.6
164.07030	3.2
166.08638	1.1
169.96437	0.1
173.02934	0.2
176.07016	4.5
177.04073	0.2
194.08086	7.8
212.09155	3.1
221.05069	0.2
237.02791	0.2
356.13293	0.2
374.09570	0.2
374.14368	4.2
374.23788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2369
Annotation	Asperugin C
Peak:m/z	Relative Intensity
53.03923	3.4
55.01847	4.6
55.05502	24.2
57.03420	3.9
67.05483	43.1
69.03423	4.7
69.07050	25.9
71.04962	6.9
79.05477	51.7
79.16792	3.1
81.03390	17.8
81.07032	83.1
83.04935	5.9
83.08591	8.4
85.02890	22.8
85.06540	7.2
86.09663	12.6
91.05457	43.1
92.64303	3.3
93.07021	95.1
95.04943	20.8
95.08583	77.1
97.02869	4.8
97.06496	28.2
99.08063	19.6
103.05461	4.4
105.03374	23.2
105.07007	100.0
107.04928	48.2
107.08572	95.8
109.06508	31.7
109.10152	35.0
111.04416	7.2
111.08078	3.9
114.36991	3.6
117.07011	17.7
119.08568	73.7
121.10107	43.4
123.08039	14.9
123.11680	19.3
125.05973	79.0
125.09595	4.4
127.03797	4.4
129.06993	13.8
131.08537	40.3
133.06453	4.4
133.10110	100.0
135.08086	4.2
135.11647	47.8
137.05933	21.5
137.09581	5.5
139.03915	7.4
141.06970	6.7
143.08562	20.8
144.09343	4.2
145.06534	4.3
145.10101	51.8
147.04312	4.1
147.08006	5.8
147.11664	38.2
149.13239	21.4
151.07588	4.7
153.05478	44.4
155.06989	19.5
155.08412	5.5
157.10078	19.4
159.08112	4.0
159.11671	45.0
161.06026	4.0
161.09615	7.1
161.13216	20.6
165.09129	4.3
167.07022	21.4
167.08430	5.2
168.57249	4.7
169.10120	14.0
171.11671	18.2
173.09644	4.0
173.13194	15.5
173.65440	3.5
175.07600	4.4
175.11041	4.6
175.14783	59.9
177.09082	6.1
181.10182	4.5
183.11647	14.2
185.13263	19.2
187.14812	5.4
189.09062	4.5
193.08496	4.6
193.15834	36.6
195.11757	16.8
197.13162	14.4
199.14818	16.5
201.16367	32.4
209.13237	7.6
211.15013	5.2
211.16914	40.0
213.16360	4.4
215.17934	7.7
217.12144	3.9
235.14903	8.2
247.07603	3.3
251.17999	7.0
255.13757	4.6
277.19556	6.5
281.15210	4.6
291.21103	13.1
300.10931	3.4
309.21954	5.5
319.20465	8.5
322.05679	3.5
337.21530	59.1
353.84583	4.2
355.22549	95.2
373.23642	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
53.03938	3.0
53.29994	0.1
55.01865	0.2
55.05494	1.2
57.03422	1.3
57.07050	0.7
58.86501	0.1
61.02906	1.0
61.68676	0.1
67.05494	2.6
69.03411	9.6
69.07056	2.2
71.04971	1.8
72.04495	1.9
72.08090	0.2
73.02904	0.2
77.03876	0.5
79.05472	9.2
81.03393	9.0
81.07035	3.5
83.04965	1.9
83.08593	1.3
85.02884	15.4
85.06516	1.0
86.09675	0.2
91.05444	0.9
92.08987	0.4
93.07021	1.9
95.04942	6.3
95.08581	5.3
97.02861	4.3
97.06533	0.3
97.10165	0.2
99.04405	1.4
99.08059	0.3
105.03367	100.0
105.06972	1.9
106.03707	0.7
107.04980	0.2
107.08566	3.8
109.02853	5.4
109.06472	1.7
109.10133	13.1
111.08064	0.7
119.08556	4.4
121.10108	2.2
123.04394	14.3
123.08049	2.0
123.11657	1.4
125.09670	0.2
127.03882	5.1
131.08557	0.6
133.10098	3.8
134.10445	0.2
135.08044	0.2
135.11658	11.1
137.09586	2.8
137.86758	0.2
139.11150	0.3
141.05452	0.2
145.04950	0.9
145.10107	0.2
147.11668	0.4
149.13263	1.1
151.11174	1.5
151.14809	1.3
153.12692	0.3
163.03905	1.3
163.11124	0.4
165.05466	0.2
165.16391	0.7
167.07042	0.3
171.34500	0.2
174.13579	0.2
175.11153	0.2
175.14806	4.4
178.45522	0.2
187.81100	0.2
193.12260	0.2
193.15837	5.6
193.67596	0.2
204.84448	0.2
211.16882	5.9
231.06549	0.8
249.07533	5.5
267.08557	12.3
268.08902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.7
53.48394	0.3
55.01862	1.9
55.05506	7.9
55.24603	0.4
56.45715	0.4
57.03428	3.6
57.07052	2.1
59.04980	0.5
60.09626	0.4
61.02901	2.9
67.05494	9.3
67.38474	0.4
69.03412	7.5
69.07053	7.5
71.04978	3.9
71.08601	0.7
73.02896	0.6
79.05437	2.5
81.03388	2.9
81.07040	12.4
83.04958	5.0
83.08598	6.9
84.57249	0.4
85.02886	24.7
85.06522	3.1
91.05453	1.9
92.08831	1.9
92.09333	0.5
93.07024	9.9
95.04927	1.0
95.08580	26.9
97.02876	5.4
97.06518	4.0
97.10114	1.8
99.04438	0.9
99.08076	1.8
105.03360	2.2
105.07012	6.3
107.08573	14.3
109.02853	3.3
109.06498	7.3
109.10138	47.0
111.08067	21.8
113.09589	0.6
119.08554	21.7
121.10119	13.5
123.08036	20.2
123.11671	9.3
125.09583	2.3
127.03918	3.2
127.07550	0.5
127.11124	0.8
133.10095	22.5
135.11670	28.9
137.09593	52.8
137.13190	3.6
138.10425	4.4
139.11127	2.9
145.04915	2.3
147.11664	4.8
148.13754	0.5
149.13249	8.1
151.11172	3.9
151.14801	6.1
161.69600	0.4
165.12720	6.5
165.16368	2.1
175.14787	35.6
191.14304	0.7
192.14479	0.8
193.14073	0.7
193.15852	24.6
211.16895	100.0
324.27182	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2216
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
53.03935	0.5
55.01859	0.4
55.05497	8.4
57.03427	1.7
57.07060	3.0
59.04993	2.2
61.02902	0.9
61.52077	0.3
64.33916	0.4
67.05138	0.7
67.05492	16.7
69.03412	8.3
69.07054	12.7
71.04971	3.7
71.08610	0.8
79.05464	2.5
81.03391	1.1
81.07037	23.4
83.04964	10.7
83.08605	8.8
85.02888	11.3
85.06522	4.6
87.08081	0.5
91.05470	2.7
92.09156	0.5
93.07018	11.0
95.04938	1.8
95.08582	33.9
97.02878	2.8
97.06506	1.0
97.10120	1.8
99.04443	0.5
99.08090	3.4
105.07027	6.1
107.08578	23.3
109.06500	10.0
109.10139	100.0
111.08051	3.8
111.11736	0.4
113.09605	1.6
116.16142	0.4
119.08559	29.6
121.10132	9.8
122.15414	0.4
123.08044	13.5
123.11678	8.9
125.09618	0.8
127.03891	0.8
132.53557	0.4
133.10104	20.0
134.10373	0.6
135.11665	86.4
136.12065	0.5
137.09593	15.9
139.11142	1.8
146.98055	0.5
147.11671	1.7
149.13232	7.1
151.11169	9.8
151.14793	10.2
153.12752	3.1
165.16351	2.7
173.01634	0.5
175.14784	31.1
193.15846	39.6
209.46478	0.4
211.16895	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	373.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.4
53.03926	0.4
54.46037	0.2
55.01862	0.5
55.05499	8.2
57.03431	2.3
57.07062	3.6
59.04984	1.8
61.02903	1.3
67.05487	16.9
69.03130	0.2
69.03410	9.3
69.07048	15.2
71.04965	3.7
71.08599	0.3
77.03886	0.4
78.01994	0.3
79.05474	2.8
81.03392	1.5
81.07032	20.6
83.04961	9.5
83.08600	7.3
85.02881	10.2
85.03364	0.5
85.06523	3.7
85.10142	0.2
85.25788	0.3
87.08068	0.5
90.65852	0.2
91.03927	0.5
91.05458	3.1
92.09106	0.6
93.07017	10.2
95.04947	2.0
95.08578	36.2
97.02866	2.6
97.06501	1.6
97.10149	2.7
99.08065	3.3
101.03141	0.3
105.07000	5.7
106.64388	0.3
107.08570	26.6
108.08886	0.3
109.02853	0.6
109.06493	10.6
109.10133	100.0
110.10460	0.4
111.08054	4.6
113.09608	1.5
119.08550	32.8
121.10113	13.6
122.07308	0.4
123.08038	15.4
123.11668	9.7
125.09618	1.1
127.03895	1.1
127.11163	0.4
131.08522	0.4
133.10095	22.9
134.10463	1.7
135.11659	90.9
136.12015	0.4
137.09584	15.9
138.10034	1.2
139.11137	2.7
145.04907	0.4
147.11646	1.8
149.13222	6.9
150.20445	0.3
151.11147	11.6
151.13655	0.5
151.14786	11.5
153.12695	2.4
165.12666	0.3
165.16351	2.6
175.14777	32.7
181.63516	0.3
191.14302	0.4
193.15842	39.1
193.27167	0.3
211.16888	38.9
247.16867	0.3
268.72568	0.3
331.67300	0.3
339.36432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76207	0.5
52.35240	0.6
53.03931	0.7
55.01864	1.4
56.19098	0.6
57.03420	1.8
61.02926	0.8
62.63395	0.6
69.03400	4.1
71.04972	1.1
72.08142	0.7
73.02883	3.2
79.05473	7.5
81.03398	4.0
81.07071	0.7
84.08124	1.2
85.02889	9.8
89.03870	0.9
89.06029	1.2
91.05436	5.1
95.04920	2.6
97.02865	4.3
98.97538	1.5
103.05448	17.0
105.03358	1.7
105.07015	6.7
107.04939	100.0
109.02885	1.3
110.07150	0.8
115.05448	6.0
115.99060	0.8
116.98623	1.1
117.06996	3.2
120.05727	6.2
122.03625	0.9
123.04393	6.3
124.05166	1.1
127.03877	2.7
130.06528	0.7
130.89539	0.8
131.04922	6.8
133.06464	3.3
134.99593	0.9
135.07076	1.5
135.08029	29.8
137.05948	13.3
142.08928	0.9
145.02840	0.9
145.04947	0.8
145.07573	3.1
146.04906	1.4
146.05991	33.6
151.03906	0.9
151.07475	1.0
152.04681	1.0
154.06171	1.3
163.07510	55.5
164.04187	1.3
165.58278	0.7
167.07004	47.8
171.58746	0.7
180.07701	1.5
181.08537	1.1
193.08592	1.6
194.08054	1.1
195.10121	27.0
219.06343	0.7
315.10526	0.9
323.30365	0.9
334.53955	0.9
373.10300	0.9
373.14600	17.8
373.18576	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.6
55.05495	1.5
61.02906	0.7
67.05471	1.9
67.29469	0.4
69.03394	2.0
69.07043	0.6
70.06575	1.6
71.04957	1.9
72.08129	4.8
79.05462	0.6
80.30756	0.5
81.03372	1.1
81.07024	1.8
84.08127	8.4
85.02881	2.6
85.06502	0.5
86.09685	1.8
87.04408	0.5
91.05431	0.9
92.08991	0.7
93.07005	1.6
95.04935	2.5
95.08560	2.4
96.05213	0.6
97.02851	2.6
99.08063	1.0
101.69065	0.5
105.03366	3.3
105.06985	1.0
106.02888	0.8
107.03275	0.6
107.08554	0.8
108.04483	0.4
109.10148	1.0
111.08034	1.7
117.03340	1.0
119.08550	1.7
120.08077	0.6
121.10145	0.5
124.03933	1.0
129.07085	0.5
129.10225	3.6
133.10097	2.1
135.11658	0.7
137.05959	0.8
137.09595	0.6
145.02814	3.9
145.04910	0.7
147.08067	0.5
149.06004	0.6
162.05479	2.5
163.03912	0.6
163.52948	0.5
164.04128	0.5
167.06969	0.7
170.11707	0.8
171.11348	0.7
175.14825	0.9
177.05434	2.9
191.60840	0.5
193.08672	0.6
201.05357	0.5
204.31706	0.6
208.02547	0.4
208.05949	0.6
211.09460	0.5
211.13036	0.6
211.16956	0.7
269.08212	0.6
276.66095	0.5
373.18234	100.0
374.18637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24999	0.2
53.03938	3.5
54.42548	0.2
54.81873	0.2
55.01867	0.2
55.05491	0.2
57.03419	1.4
61.02910	0.4
67.05481	0.3
67.62354	0.2
68.60085	0.2
69.03066	0.3
69.03416	7.8
70.50388	0.2
71.04978	2.2
71.59205	0.2
73.02892	0.3
76.56625	0.2
77.03906	0.3
79.05474	10.6
81.03397	8.2
85.02886	14.9
86.09678	0.4
86.60119	0.2
92.08755	0.3
92.09267	0.3
93.07056	0.3
95.04333	0.3
95.04942	5.9
95.08565	0.9
97.02867	5.0
99.04418	1.5
99.08076	1.7
105.03371	100.0
106.03708	0.4
107.08568	0.5
109.02856	4.4
109.10146	0.4
119.08564	0.4
123.04401	15.7
127.03880	4.2
133.10132	0.4
135.11702	0.5
137.09637	0.2
145.04933	0.5
170.03552	0.2
175.14816	0.4
193.15865	0.4
211.16867	0.4
213.90302	0.3
231.06520	0.5
249.07553	5.9
267.08569	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29735	0.1
51.02362	0.2
53.03939	4.1
54.81711	0.2
55.01864	0.4
55.05503	0.7
56.58053	0.1
57.03429	1.4
61.02911	0.9
61.69332	0.2
67.05486	1.2
69.03416	9.6
69.07047	1.2
71.04992	1.5
72.04491	0.8
72.92498	0.2
73.02896	0.2
73.98875	0.2
77.03883	0.3
79.05478	9.5
81.03398	9.4
81.07035	1.5
83.04955	0.8
83.08590	0.3
85.02891	15.2
85.06537	0.2
85.22197	0.2
91.05461	0.2
92.09164	0.2
93.07034	1.1
95.04951	7.3
95.08581	2.3
97.02868	4.3
99.04433	1.2
105.03374	100.0
106.03753	0.4
107.08576	1.9
109.02867	4.3
109.06497	1.1
109.10143	8.1
111.08080	0.3
113.09609	0.2
119.08549	2.5
121.10107	1.1
123.04410	13.9
123.07258	0.2
123.08015	1.4
123.11685	0.4
127.03900	4.4
133.10077	2.2
134.10469	0.2
135.11668	5.4
137.09590	1.5
145.04991	0.7
149.13252	0.3
151.11147	0.7
151.14835	0.7
162.83290	0.2
163.03952	0.4
165.05507	0.3
165.16341	0.2
175.14795	2.7
183.46646	0.2
193.15828	2.3
211.16885	3.1
227.22760	0.2
231.06364	0.3
249.07524	5.4
267.08588	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	373.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
57.03415	1.5
61.02909	0.5
67.05518	0.2
68.47811	0.2
69.03415	8.5
69.07044	0.5
71.04969	1.0
73.02885	0.3
77.03922	0.3
79.05476	10.1
81.03397	8.6
81.07030	0.3
84.04490	0.3
84.08109	0.3
85.02888	13.1
86.09684	2.9
87.04389	0.2
89.66813	0.2
91.05441	0.3
92.08685	0.5
92.09261	0.5
93.07019	0.3
95.04945	6.5
95.05528	0.4
95.08569	0.3
97.02874	3.6
99.04433	1.5
99.08046	0.4
105.03371	100.0
107.08574	0.5
109.02858	5.7
109.10134	0.5
119.08544	0.9
121.02843	1.8
123.04404	14.5
127.03897	4.4
133.10078	1.1
137.05957	0.3
145.04935	0.4
155.08354	0.2
193.15894	0.5
215.64825	0.3
231.06517	0.4
239.11667	2.2
249.07521	5.4
264.74747	0.2
267.08566	11.7
324.45987	0.2
373.17902	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	373.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24999	0.2
53.03938	3.5
54.42548	0.2
54.81873	0.2
55.01867	0.2
55.05491	0.2
57.03419	1.4
61.02910	0.4
67.05481	0.3
67.62354	0.2
68.60085	0.2
69.03066	0.3
69.03416	7.8
70.50388	0.2
71.04978	2.2
71.59205	0.2
73.02892	0.3
76.56625	0.2
77.03906	0.3
79.05474	10.6
81.03397	8.2
85.02886	14.9
86.09678	0.4
86.60119	0.2
92.08755	0.3
92.09267	0.3
93.07056	0.3
95.04333	0.3
95.04942	5.9
95.08565	0.9
97.02867	5.0
99.04418	1.5
99.08076	1.7
105.03371	100.0
106.03708	0.4
107.08568	0.5
109.02856	4.4
109.10146	0.4
119.08564	0.4
123.04401	15.7
127.03880	4.2
133.10132	0.4
135.11702	0.5
137.09637	0.2
145.04933	0.5
170.03552	0.2
175.14816	0.4
193.15865	0.4
211.16867	0.4
213.90302	0.3
231.06520	0.5
249.07553	5.9
267.08569	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
53.03939	3.5
53.50288	0.2
53.86852	0.2
55.01870	0.4
55.05503	3.8
57.03415	1.2
57.07057	0.3
61.02912	0.3
67.05482	1.3
69.03417	9.5
69.07040	0.9
70.06569	0.3
70.58978	0.2
71.04968	1.2
77.03902	0.4
79.05474	10.1
81.03397	8.8
81.07047	1.3
82.06578	0.3
83.04948	1.1
83.08606	1.9
84.08118	0.6
85.02890	16.2
85.06514	0.5
86.09701	0.4
91.05463	0.6
92.08738	0.4
92.09246	0.4
92.64370	0.3
93.07016	1.2
95.04940	6.9
95.08527	0.9
97.02869	3.5
99.04443	1.2
100.07597	1.7
100.11238	6.2
101.05964	0.3
105.03372	100.0
105.07016	1.4
106.03716	0.5
107.04925	0.6
107.08593	0.6
109.02853	4.9
109.06525	0.4
109.10159	0.6
111.04408	3.1
112.07599	0.4
114.09148	0.4
119.08580	1.1
121.02834	3.1
122.06982	0.3
123.04405	15.6
127.03902	4.5
128.07072	2.1
131.08508	0.5
133.10081	0.6
135.11694	0.5
139.03949	0.4
140.07010	0.5
145.04922	1.0
146.55923	0.3
147.08070	0.3
147.11711	0.4
163.07610	0.3
167.07016	0.5
175.14789	0.4
182.15376	8.3
193.15843	0.5
194.29861	0.3
210.14854	7.9
220.16948	0.4
227.17622	0.6
228.15935	1.0
239.11783	0.3
245.18590	0.3
249.07568	6.1
249.10056	0.3
262.23810	0.3
267.08572	12.9
313.11777	1.0
334.36923	0.3
337.21136	2.7
355.22296	2.1
373.13904	1.3
373.18280	1.2
373.23270	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.0
55.01865	6.8
55.05497	23.9
58.36338	3.8
59.04977	5.3
67.05492	61.0
68.05041	5.1
69.07050	18.1
70.06565	6.2
71.04957	7.9
73.54033	4.6
76.58601	4.1
79.05470	76.0
80.06235	7.3
81.03391	5.8
81.07034	85.5
83.04967	7.2
85.06535	19.3
86.06054	6.8
88.07606	7.8
91.05463	29.1
93.07013	53.6
94.06565	6.1
95.04955	30.1
95.08591	24.6
96.08099	100.0
96.56432	5.1
97.06487	7.3
97.08897	19.4
99.08074	7.8
100.54140	3.8
101.21507	4.4
105.07003	19.9
107.04917	38.0
107.08588	30.8
109.06516	23.9
109.10136	7.4
114.36594	4.3
117.06993	23.5
118.08659	5.4
119.08561	35.0
120.76958	4.7
121.10113	70.6
125.05963	23.0
126.44049	4.5
131.08527	10.2
135.11646	32.0
145.06517	5.9
145.10075	49.0
149.09749	5.6
163.11140	40.8
173.09566	20.4
174.81320	4.5
191.10568	9.8
195.13733	8.7
210.62013	4.5
223.13139	5.6
227.16260	52.4
273.18399	5.7
276.85211	4.9
305.20975	48.7
314.24960	9.8
337.23456	5.1
354.33542	62.6
355.26556	7.1
372.29462	8.8
372.34549	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	372.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94680	0.1
79.05458	0.3
83.04955	0.7
85.02892	0.4
85.45627	0.2
87.40614	0.2
89.03896	3.4
92.08833	0.3
92.09312	0.2
95.04934	0.7
99.04432	0.2
107.04959	1.6
111.04420	0.4
117.03363	7.5
121.02816	0.3
121.10112	0.2
132.96349	0.1
135.04395	19.6
145.02835	15.1
163.03876	100.0
171.27069	0.2
181.04942	0.4
279.07663	0.2
318.79303	0.2
341.03534	0.2
355.10098	0.8
363.49091	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.7
53.03934	4.9
55.01847	0.9
55.05506	0.8
55.42602	0.5
57.03424	3.7
59.04988	21.9
59.94867	0.5
61.02914	1.3
67.05492	1.3
69.03071	0.8
69.03418	15.9
69.07023	0.6
70.06567	1.2
71.01319	0.5
71.04960	3.7
72.08148	0.8
73.02876	2.1
78.03429	16.6
79.95208	0.5
80.04987	3.3
81.02931	1.1
81.03397	28.6
81.07039	0.9
83.04950	3.2
84.08135	0.6
85.02885	16.3
91.05476	0.8
92.05804	0.8
92.08941	0.7
93.07011	1.3
94.59480	0.5
95.04956	2.3
96.04481	7.7
97.02882	6.2
98.97572	0.5
99.04408	4.6
102.94792	0.5
105.03373	1.0
105.07014	2.3
106.02897	89.5
107.04931	2.2
107.08594	0.6
108.05293	0.7
109.02856	12.3
109.10199	0.6
111.04415	1.2
117.09115	4.1
119.04922	1.1
119.08567	1.2
120.08054	0.6
121.02805	0.9
121.06473	2.5
121.10092	0.9
122.10410	0.6
124.03927	100.0
127.03881	9.7
133.02803	3.1
133.10144	0.6
135.04372	2.3
145.02795	1.2
145.04939	0.6
147.08150	0.6
149.05975	1.1
157.06493	0.7
163.02672	0.9
163.03873	12.1
166.05002	2.0
166.88005	0.5
167.07027	0.9
168.65450	0.5
175.07556	0.7
178.02536	2.3
179.03340	2.5
181.03833	0.9
191.03360	0.7
191.14088	0.6
192.10245	0.6
193.04944	16.2
193.08672	0.7
193.14316	5.0
232.05969	1.0
250.07056	26.2
250.09656	1.0
268.08099	25.1
371.16586	2.9
372.12698	9.4
372.17032	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01858	1.0
55.05492	0.3
56.96551	1.2
57.03420	1.8
59.04968	0.2
60.17115	0.2
61.02920	2.6
65.03936	0.3
67.05492	1.8
68.03027	0.3
69.03414	7.1
71.04980	5.2
71.68281	0.2
73.02876	0.6
79.05461	0.5
81.03396	3.1
81.07024	1.9
82.29366	0.3
83.01351	0.4
83.04959	1.1
84.96029	1.9
85.02891	16.3
85.06499	0.4
91.03927	0.6
92.08942	0.6
93.07028	1.8
95.04945	100.0
95.08592	0.6
96.05290	0.4
97.02868	6.2
97.06501	0.3
98.97562	4.7
99.04430	16.1
105.03365	5.5
105.07029	2.2
106.02887	0.7
107.04945	0.4
107.08584	0.7
109.02859	2.2
109.06496	0.6
109.10133	1.2
111.08076	1.2
112.99092	0.5
115.07601	0.3
116.98587	2.4
119.08573	0.6
121.10128	1.5
123.08043	0.3
124.03916	1.4
127.03911	1.6
128.98563	0.3
131.00156	0.7
131.08617	0.4
133.10112	4.1
134.99722	0.4
135.08044	0.6
137.06004	0.4
137.09605	0.4
145.04982	1.4
145.08501	0.4
145.10146	0.6
146.08952	0.5
146.99544	0.3
149.01222	1.4
149.09598	5.5
149.13289	0.4
151.11182	1.1
153.09079	17.8
158.10844	0.5
161.01379	0.3
163.03911	0.4
173.01175	0.3
173.13255	2.3
174.82587	0.3
177.00690	0.4
179.03444	0.4
191.10660	0.5
191.14272	2.5
193.01685	1.2
193.15807	0.3
197.01207	1.1
204.00903	0.3
209.15337	17.8
211.02725	3.4
215.02257	1.5
219.01910	0.5
229.03639	0.4
235.02820	1.4
237.02728	0.4
238.05949	1.5
239.02238	0.5
253.03867	1.9
371.16837	2.1
371.20740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
51.05875	0.5
53.03938	1.0
55.01870	4.2
55.05500	2.1
57.03435	3.5
57.07045	0.8
59.04988	3.5
61.02901	0.9
65.86163	0.4
67.05495	3.6
69.03416	4.6
69.07057	27.8
71.04982	12.9
79.05482	4.2
81.03400	2.2
81.07033	4.7
83.04971	4.0
83.08585	1.0
85.02885	5.4
85.06516	2.4
91.05456	6.7
92.09216	1.9
93.07027	24.8
95.04947	3.9
95.08584	9.0
97.02866	1.8
97.06520	6.4
99.04440	1.1
99.08066	0.6
105.03379	9.9
105.07014	8.5
107.08582	21.0
109.02858	0.8
109.06539	5.0
109.10139	6.8
111.08060	2.6
115.07497	0.8
117.06983	0.9
119.08571	6.9
121.06484	24.1
121.09258	0.7
121.10126	19.9
123.04391	1.0
123.08057	6.9
123.11668	0.6
127.03857	0.7
127.11137	1.1
129.07021	0.5
130.64282	0.5
131.08546	8.4
133.10110	17.0
135.07074	0.7
135.08035	12.1
135.11652	5.9
137.09567	2.4
138.10327	0.6
139.11171	3.3
143.08513	0.8
145.10086	3.8
147.11668	49.0
149.09613	8.0
149.13232	11.2
151.11140	2.4
158.10889	4.2
159.03268	0.5
161.09573	7.2
163.11150	1.7
163.14809	2.4
167.06943	0.6
173.13240	14.3
176.11916	2.5
191.14281	100.0
209.15335	30.9
267.08618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
50.50139	0.6
55.05496	3.3
57.07062	1.1
61.02887	1.5
63.11134	0.8
67.05476	4.3
68.62450	0.7
69.03413	15.2
69.07053	12.6
71.04965	4.8
79.05463	4.2
79.59235	0.7
81.03382	3.4
81.07036	12.4
81.33992	0.7
83.04963	14.2
83.08591	3.8
85.02885	15.6
85.06481	1.0
88.97311	0.7
89.10389	0.8
91.05464	6.0
92.08704	1.7
92.09254	2.2
92.64478	0.8
93.07019	9.7
95.04934	6.4
95.08582	19.8
97.02869	3.2
97.06494	3.5
97.71780	0.7
98.04848	0.8
99.04425	0.9
99.08064	5.4
105.07009	10.9
107.04900	0.8
107.07866	1.4
107.08575	38.0
107.09295	1.5
109.06486	10.3
109.10143	13.1
111.08031	3.2
113.09625	1.0
119.08534	5.1
121.06493	4.2
121.10116	46.1
122.07255	1.2
123.08070	6.7
123.11642	4.4
125.09619	12.8
127.03849	1.5
131.08522	6.9
133.10117	17.9
135.08020	11.1
135.11658	6.1
137.09584	12.4
139.11159	4.3
143.08470	1.1
145.04929	1.3
145.10091	4.7
147.11684	8.1
149.09610	12.8
149.13235	18.9
151.11159	100.0
151.89389	0.9
153.09119	3.5
158.10870	4.9
161.21216	0.9
163.14809	9.1
165.12704	9.1
173.13217	16.6
191.14275	57.3
208.26199	1.0
209.15326	39.8
365.13181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16510	0.4
55.05509	2.6
57.07055	0.6
57.30174	0.4
62.41865	0.4
67.05489	2.6
67.29407	0.4
69.03426	4.8
69.03757	0.5
69.07055	2.1
79.05472	4.2
81.07046	8.7
85.02888	2.4
85.91615	0.6
91.05470	5.0
92.08967	2.4
93.07016	2.9
95.08601	0.8
96.40009	0.5
97.02910	0.8
103.14330	0.5
104.18452	0.5
105.07005	6.2
107.04942	1.2
107.08588	19.5
109.06516	6.7
109.10152	5.8
115.05443	2.0
117.06998	2.7
119.08574	3.1
121.06509	0.6
121.10133	14.6
122.07259	4.8
123.08069	1.0
131.08553	2.0
133.10115	100.0
135.08040	13.8
135.11725	0.7
137.09601	60.6
142.65894	0.5
145.10077	1.1
147.11707	0.7
149.13237	12.5
158.10841	1.0
173.13228	5.7
191.14285	20.8
198.88095	0.5
209.15370	5.2
311.80875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45343	1.5
51.64463	1.2
53.03937	3.4
55.01852	1.6
55.05508	2.6
57.03430	3.2
59.87811	1.3
61.02908	7.1
66.83063	1.3
67.05508	2.8
69.03407	22.5
69.07050	10.3
71.04975	3.3
77.71629	1.6
79.05465	2.2
81.03388	13.8
81.07047	9.9
83.04958	6.2
83.08599	1.8
85.02882	49.8
86.10633	1.5
91.05461	12.4
92.09051	7.3
93.07018	7.2
95.04955	2.4
95.08556	12.9
97.02866	12.5
105.07003	15.0
107.08572	57.8
109.02875	5.6
109.06512	10.8
109.10133	9.1
119.08559	7.1
121.06470	2.7
121.10125	26.6
122.07253	1.8
123.08038	8.1
123.11655	3.4
127.03955	3.7
131.08582	8.6
133.10109	38.6
135.08031	17.9
135.11676	3.0
137.09581	23.0
145.04930	3.0
145.10065	2.2
147.11670	10.4
149.09595	13.5
149.13223	15.7
151.11151	36.1
156.23621	1.8
163.14816	2.0
165.12706	63.6
173.13246	11.8
188.38303	1.4
191.14278	29.4
209.15329	100.0
212.11993	1.5
327.34497	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01857	2.6
55.05508	10.1
57.03421	2.8
57.07048	2.4
58.38156	1.1
61.02920	2.5
64.12922	0.9
64.13280	1.1
67.05480	8.2
69.03111	1.3
69.03419	16.6
69.07063	14.1
70.06583	1.1
71.04973	1.6
72.53025	1.1
79.05476	13.2
81.03398	5.0
81.07037	19.9
82.07380	2.6
83.04964	18.7
83.08601	6.2
85.02892	17.5
85.06532	2.7
87.01765	1.2
91.05477	9.8
92.08763	1.1
92.09271	1.5
93.07022	16.8
95.04942	10.3
95.08594	18.5
96.08887	1.4
97.02888	2.7
97.06525	4.4
97.08875	1.0
99.04429	1.9
99.07947	1.2
101.65590	1.3
105.03359	1.1
105.07022	14.2
107.04913	2.2
107.08573	47.0
109.06509	12.3
109.10156	13.0
109.63178	1.0
111.08055	7.5
117.06982	6.5
119.04927	6.3
119.08562	13.2
121.06466	6.7
121.10117	23.2
122.07287	2.6
123.08052	6.8
125.09616	1.4
127.03902	4.5
127.07516	1.5
129.06934	1.6
130.06528	6.1
131.08563	13.8
133.06494	2.1
133.10109	76.6
135.08017	14.5
135.11674	6.9
137.06024	1.4
137.09593	35.1
143.08565	2.0
145.10072	5.0
147.04419	11.5
147.08054	2.1
147.11664	31.3
149.09579	9.2
149.13240	20.8
151.11162	12.7
153.09044	8.1
158.10832	2.1
159.08266	1.3
161.05920	1.7
163.11150	1.3
163.14775	2.7
167.07004	5.6
173.13226	19.2
176.11983	2.6
187.07509	1.4
191.14276	100.0
209.11620	1.6
209.15335	47.7
242.67296	1.4
256.27951	1.3
287.83658	1.2
347.42334	1.2
371.16669	82.4
371.21298	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	371.2061
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03938	2.8
54.81670	0.6
55.01858	3.7
55.05501	13.0
57.03421	4.2
57.07061	7.0
59.04983	3.3
61.02898	4.8
61.78190	0.6
65.03920	1.0
67.05486	11.8
69.03410	18.5
69.07049	13.6
71.01344	0.9
71.04964	5.3
73.02888	3.0
79.05466	11.9
81.03396	6.3
81.07034	36.6
83.04963	9.4
83.08598	19.2
85.02885	21.6
85.06531	6.3
91.05453	13.5
93.07018	22.9
95.04941	13.7
95.08572	13.4
97.02868	9.0
97.06497	8.4
99.04440	3.9
105.07008	25.8
107.08568	33.3
108.03784	0.6
109.02860	4.3
109.06493	41.2
109.10133	27.8
111.08065	8.6
113.09576	0.8
115.03938	0.9
115.05424	1.0
117.06993	4.1
118.07787	0.7
119.08562	13.0
121.06485	1.4
121.10114	20.1
123.08054	7.4
123.11656	11.0
124.32169	0.8
125.09599	3.2
125.13257	1.6
127.03869	6.5
129.06961	1.3
131.08533	24.8
133.10095	100.0
135.08018	19.9
135.11655	11.6
137.09566	1.0
139.11115	0.9
143.08548	4.1
144.09358	1.3
145.10112	9.4
147.11655	5.4
149.09581	2.7
149.13216	15.1
151.11125	3.4
153.09074	3.2
156.78265	0.7
158.10866	6.4
163.14795	3.7
165.12689	1.3
167.14267	7.3
171.10168	1.0
173.13206	33.3
191.14256	47.7
199.34949	0.6
209.15303	17.8
294.55273	0.8
295.69244	0.7
353.19626	3.0
371.16809	8.2
371.20792	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
53.80559	0.7
54.50280	0.5
55.01865	1.3
55.05488	4.4
57.03416	1.5
57.07056	4.9
61.02885	0.9
65.03911	0.9
67.05487	6.6
69.03412	7.1
69.06774	0.6
69.07059	11.4
71.04977	5.2
73.02870	0.8
79.05476	9.5
81.03380	3.2
81.07030	9.2
83.04958	3.9
83.08590	5.8
85.02889	11.9
85.06549	5.8
85.10382	0.7
87.04414	0.8
91.05460	5.0
92.08977	3.7
93.07016	43.8
95.04942	100.0
95.08577	8.1
97.02876	5.2
97.04713	0.8
97.06488	0.7
97.10136	0.8
99.04427	13.5
104.16013	0.8
105.07017	10.3
107.08577	37.5
109.02842	1.2
109.06499	4.8
109.10139	4.4
111.04478	0.8
111.08067	3.1
115.07545	1.0
119.08546	7.6
121.10113	93.0
123.04345	1.1
123.08047	1.3
123.11643	1.3
127.19112	0.7
129.05515	0.9
131.08534	1.7
133.02835	1.0
133.10098	11.6
134.03175	1.7
135.08009	2.9
135.11655	5.0
137.09607	1.2
143.08574	0.9
143.89534	0.8
145.10065	1.7
147.11681	3.0
149.13248	1.7
149.94295	0.7
151.11079	1.2
153.09074	16.4
161.02367	1.1
163.14772	16.6
167.14290	1.1
173.13257	5.5
179.03366	3.1
180.03729	3.8
191.14265	12.1
209.04420	5.8
209.15321	31.9
233.05798	0.8
330.73056	0.8
371.16354	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00299	0.3
53.03924	0.7
55.05502	1.6
57.03421	0.9
59.04989	0.5
61.02910	0.8
63.39629	0.3
65.03913	0.5
65.70360	0.3
67.05492	1.9
67.22306	0.4
69.03407	3.8
69.07037	1.6
71.04974	4.1
73.02888	0.4
79.05491	1.6
81.03396	2.3
81.07042	2.5
83.04957	0.9
83.08598	0.4
85.02884	9.6
85.06528	0.8
91.05455	0.7
92.09007	1.8
92.63849	0.4
93.07015	5.1
95.04945	100.0
95.08590	1.7
97.02873	3.5
97.06486	0.7
99.04435	15.6
105.07022	1.8
107.08573	4.2
109.02861	0.5
109.06502	0.9
109.10143	0.8
111.08057	0.8
115.07539	0.4
119.08584	1.8
121.10121	7.5
127.03877	1.6
131.08524	0.8
133.10095	3.6
135.07945	0.4
135.73654	0.4
139.11177	3.5
147.11717	0.5
151.11198	0.6
153.09081	16.2
163.03877	3.5
163.14795	0.6
173.13243	2.0
177.35411	0.4
186.37065	0.4
191.14281	1.9
209.15326	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
55.01667	0.3
55.01863	5.1
55.05505	3.3
57.03431	3.5
57.07057	1.9
59.04979	2.2
61.02924	0.6
66.00011	0.4
67.05493	3.9
69.03414	4.9
69.07053	29.0
71.04609	0.7
71.04975	15.2
78.43685	0.3
79.05475	5.8
81.03411	2.9
81.07035	6.5
83.04976	3.9
83.08602	1.6
84.08126	0.4
85.02888	7.7
85.06534	3.4
87.08115	0.4
91.05453	9.4
93.07022	24.4
95.04954	4.2
95.08015	0.5
95.08584	9.1
97.02869	2.2
97.06515	6.9
99.04457	1.3
99.08028	0.4
100.44697	0.4
105.02684	0.7
105.03380	14.7
105.04461	0.6
105.07014	9.6
107.07862	0.8
107.08579	22.4
109.02858	1.7
109.06516	4.0
109.10136	7.2
111.08060	2.4
115.05403	0.6
115.07519	0.6
117.06989	2.8
119.08558	7.9
121.05597	0.8
121.06483	24.2
121.10124	21.4
123.04403	1.9
123.08048	8.0
123.11653	0.8
127.03901	2.3
127.07558	0.4
127.11170	2.0
129.07022	0.4
131.08542	11.2
133.06485	0.5
133.10106	17.5
135.08026	15.2
135.11655	7.0
137.09608	2.1
138.10411	0.5
139.11153	3.4
143.08524	0.8
144.09279	0.7
145.04898	0.6
145.10107	5.5
147.11667	53.8
149.09575	6.7
149.13223	14.7
151.11154	1.7
156.05614	0.4
158.10875	4.0
161.09584	9.6
161.13190	0.4
163.11139	2.9
163.14806	3.1
165.12721	0.4
167.06992	0.8
173.13228	17.4
176.11948	2.4
182.10681	0.4
191.14273	100.0
192.14536	0.6
209.11983	1.4
209.15315	31.3
226.11092	0.4
249.07462	0.7
267.08572	2.5
387.87845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25262	0.9
53.03953	1.5
53.17084	1.0
55.01873	2.3
55.05497	5.6
56.36862	1.0
56.97239	1.2
57.03423	2.8
57.07058	2.4
57.07493	1.1
61.02911	6.8
65.03915	1.1
67.05489	12.4
69.03409	16.8
69.07056	6.7
71.03639	1.2
71.04965	4.9
73.02879	1.6
79.05484	12.4
81.03393	5.2
81.07043	15.9
83.04976	9.7
83.08599	5.8
85.02897	32.3
85.06516	2.3
87.04449	2.0
89.03883	1.3
91.03898	1.3
91.05466	13.1
92.09132	1.3
93.03368	1.9
93.07018	8.4
95.04944	10.6
95.08591	8.6
97.02883	11.0
97.06512	28.0
99.04446	2.3
105.03372	5.2
105.07010	29.0
107.04969	2.9
107.08574	21.4
109.02856	2.0
109.06504	96.5
109.10137	35.4
111.04404	10.9
111.08082	1.4
112.04771	1.9
113.82310	1.1
117.07008	4.6
119.08570	8.6
121.10134	15.0
123.08046	6.6
123.11665	10.4
127.03901	6.3
131.08543	26.9
133.02861	10.0
133.10106	100.0
134.03186	2.5
135.04408	6.3
135.08018	22.9
135.11760	1.4
143.08600	2.3
144.09344	1.4
145.02823	5.5
145.04938	1.3
145.10065	8.3
147.11694	5.9
149.09630	2.4
149.13260	2.6
153.09145	4.5
158.10893	6.2
163.03870	35.7
173.13225	33.3
179.03343	5.8
180.03656	1.6
191.14264	70.8
209.04370	1.4
209.15324	15.3
300.24640	1.2
371.12897	1.6
371.20602	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	370.207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.2
56.96560	0.3
57.03430	0.2
57.05766	0.1
58.06593	0.2
58.60502	0.1
59.04988	0.1
61.02917	0.8
67.05493	0.2
69.03406	0.7
69.07056	7.3
70.06589	0.1
71.04965	0.2
73.02907	0.2
81.03394	0.3
84.08148	0.5
85.02888	1.4
86.09690	100.0
87.04453	0.2
87.10034	0.6
92.08880	0.2
97.02872	0.8
98.97579	0.6
116.98621	0.1
118.29702	0.1
127.03895	0.2
132.10182	36.8
136.06180	0.5
145.04926	0.2
146.99672	0.2
148.03856	0.5
157.04381	0.4
163.04391	0.1
165.00658	0.2
183.05008	0.1
197.03972	0.1
220.03413	0.1
220.05682	0.1
237.02669	0.2
370.46277	0.1
389.81110	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	371.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47620	1.1
53.03928	2.0
55.01865	1.4
55.05502	1.2
57.03424	6.3
59.04981	4.7
59.22512	0.9
61.02901	6.9
62.35341	1.0
67.05480	2.3
69.03410	21.6
70.06566	4.2
71.01333	1.2
71.04965	7.2
71.73602	1.0
72.08133	1.6
73.02877	4.4
74.02415	14.9
76.03985	1.8
79.05457	1.6
81.03376	8.2
81.07055	1.2
83.04957	4.8
84.08122	1.3
85.02885	56.0
85.06512	1.2
87.04443	5.7
88.03957	1.8
89.06010	2.1
91.05443	1.8
92.08723	2.0
93.07001	1.1
94.06542	87.9
95.04940	5.5
95.93443	1.1
96.05247	1.1
97.02857	19.0
97.06493	2.2
99.00775	10.6
99.04441	2.3
104.04967	6.9
105.03359	1.1
106.06542	7.9
107.04937	5.8
108.08105	2.8
108.26044	1.3
109.02853	8.0
109.06499	1.9
110.07209	1.2
111.04398	5.5
113.05977	1.1
115.03892	1.7
117.05708	5.0
118.06512	55.1
120.04429	30.3
123.04420	1.8
125.06032	1.1
127.03878	8.5
130.02852	1.4
130.06488	5.8
132.04449	9.3
132.06799	2.2
132.08038	8.5
133.02829	4.7
134.05940	1.9
135.04372	1.2
136.07545	51.9
137.02324	12.4
145.04973	5.0
145.07587	16.9
146.05983	72.3
150.05489	27.8
151.03905	2.3
155.07022	5.6
156.04437	2.1
156.07422	2.0
158.05997	4.5
160.07475	8.2
162.05519	1.9
163.03886	11.0
163.08630	4.9
164.07030	7.2
170.05988	10.0
172.07541	1.3
173.08080	4.9
174.05470	32.0
174.08434	1.9
179.03329	1.4
184.07510	6.7
185.08305	2.0
188.06964	3.8
191.08113	6.4
192.06517	61.5
195.58064	1.2
196.07524	6.5
198.05505	6.1
198.08998	1.6
200.07202	1.2
204.06473	1.3
208.07576	1.5
209.09183	100.0
214.08641	1.6
216.06522	1.6
224.07080	2.2
234.07599	2.5
244.09689	1.6
252.06686	1.2
254.08328	1.2
255.06859	1.1
262.10699	4.3
270.07550	6.9
282.07538	1.2
294.96811	1.4
298.12570	2.1
311.03836	1.2
318.09744	9.6
335.12555	2.6
336.10565	5.4
353.13361	2.5
371.14548	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	370.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71115	0.1
57.03421	0.2
63.24492	0.1
69.03401	0.2
69.07050	3.2
70.06591	0.1
71.04975	0.2
73.02860	0.1
81.03397	0.1
83.04968	0.6
84.08118	0.2
85.02883	0.6
86.00903	0.1
86.09688	100.0
87.04368	0.1
87.10025	0.5
92.09051	0.6
94.06544	0.1
95.04958	0.3
97.02868	0.2
98.97582	0.2
110.07148	0.1
111.04431	0.6
117.57746	0.1
128.86768	0.1
129.05432	0.3
132.10178	39.0
133.02788	0.2
133.10545	0.2
136.06180	0.2
137.05901	0.2
139.03906	0.1
145.04955	0.2
146.05957	0.2
150.05463	0.8
152.06171	0.1
155.07024	0.2
173.07964	0.2
177.75394	0.1
226.39771	0.1
260.58231	0.1
346.85242	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13372	0.4
51.64954	0.4
53.03940	3.4
53.41056	0.4
57.07046	0.4
61.59950	0.4
62.06075	88.9
69.03412	5.6
69.07040	0.4
71.43643	0.4
79.05471	2.7
81.02919	0.8
81.03387	9.9
81.07021	0.7
84.80519	0.4
85.02886	4.8
86.06049	35.1
87.04449	6.6
92.08746	1.7
92.09344	1.0
95.04964	4.3
97.02866	5.1
99.04443	1.1
103.93352	0.5
104.07082	100.0
105.03367	60.1
105.04512	1.1
107.08566	1.1
109.02863	4.5
121.10103	0.7
123.04388	3.3
127.03890	2.4
127.06289	0.5
128.41161	0.5
133.10115	7.8
137.09587	5.4
145.04883	0.8
149.13179	0.8
191.14244	1.2
213.76120	0.5
219.60272	0.4
225.35966	0.5
249.07455	5.7
267.08688	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08381	0.5
53.03924	1.3
53.67777	0.5
54.02174	0.4
54.81956	0.6
55.01864	0.8
55.05504	1.2
57.07066	1.3
65.03925	3.2
67.05487	12.6
68.99776	2.2
69.03423	5.6
70.06593	0.7
71.37811	0.5
73.66027	0.5
75.62322	0.5
77.03904	2.1
79.05478	3.5
79.94440	0.6
83.04963	24.0
85.02892	8.8
85.06524	0.9
88.55501	0.6
92.08671	1.1
92.09261	1.3
93.03384	11.8
95.04936	15.8
95.05515	0.8
97.02872	0.6
101.56915	0.5
105.03374	14.2
107.04936	38.7
109.02874	3.4
111.03653	1.1
111.04420	26.8
119.90792	0.6
121.02813	5.0
123.04400	14.4
129.05435	9.6
133.02824	62.7
134.03551	0.9
135.04391	2.2
139.03877	13.1
151.03879	26.3
157.04941	9.0
161.01230	0.6
161.02307	30.9
175.05946	6.7
179.03355	100.0
194.27203	0.6
195.17961	0.7
232.51158	0.6
353.08542	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	370.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.7
53.03922	0.7
54.81983	0.5
55.05496	3.1
55.97768	0.5
60.69358	0.4
65.03932	3.9
67.05495	11.1
68.99776	0.6
69.03419	5.6
69.04033	0.4
77.03907	2.4
77.68315	0.5
79.05473	4.4
81.03387	1.1
83.04967	21.6
85.02888	7.4
85.06512	0.7
92.08688	0.7
92.09183	1.2
93.03395	8.7
95.04941	15.0
95.05513	0.7
96.33434	0.5
97.02837	0.8
100.70698	0.5
104.10748	0.9
105.03374	16.3
107.04212	1.1
107.04936	33.3
109.02850	2.2
111.04427	26.8
121.02858	5.5
123.04408	16.3
129.05453	10.2
129.33359	0.5
133.02829	63.6
134.03625	2.4
135.04396	2.3
139.03905	12.3
151.03888	24.3
156.96278	0.5
157.04932	8.1
161.02313	30.9
163.03835	0.7
175.05946	6.6
179.03363	100.0
181.06329	0.6
353.08493	4.3
370.18469	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	369.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	22.7
53.31614	1.9
55.01856	9.3
55.05504	34.9
57.03419	4.3
57.07051	12.1
67.05151	3.1
67.05491	80.4
69.03410	4.1
69.06670	2.7
69.07050	57.7
71.08611	4.0
76.26466	1.8
79.05477	58.2
81.02936	3.6
81.03399	96.1
81.07040	72.6
81.44974	2.3
83.04972	25.2
83.08595	13.3
91.05464	36.1
92.08771	10.4
93.07012	46.1
95.04946	61.5
95.08568	24.5
97.06475	2.9
97.10159	8.5
99.08052	2.7
105.07005	31.7
107.08569	31.5
109.06508	12.5
109.10136	19.4
111.08083	2.6
114.63799	1.9
117.07018	2.8
119.08543	21.5
121.06458	2.1
121.10108	11.9
123.11623	3.2
125.09638	7.9
129.06943	4.2
131.08525	4.2
133.10120	24.2
135.11647	4.2
145.10123	2.2
147.11615	11.2
149.13229	4.1
151.11157	32.2
157.10057	3.4
161.09599	2.8
161.13203	12.3
163.14738	2.9
165.12723	12.3
179.14171	3.0
217.19472	3.6
241.19452	2.8
259.20486	3.6
277.21576	100.0
306.48691	2.0
318.76147	2.4
351.21219	3.3
351.25223	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
53.37768	0.8
54.07637	1.1
55.01863	1.1
55.05499	6.1
55.24624	1.1
57.03423	7.3
57.07052	1.5
59.04988	2.0
61.02909	2.6
65.92948	1.0
66.51168	1.2
67.05486	11.3
69.03416	20.0
69.07050	1.5
71.04976	5.7
73.02905	1.8
73.45092	1.1
74.06067	1.5
74.09686	1.3
79.05475	7.1
81.03416	8.4
81.07027	18.6
83.04961	5.4
85.02889	100.0
85.06513	2.2
87.04469	1.5
91.05445	13.8
92.08756	1.8
92.09218	1.6
93.07013	5.9
95.04942	5.9
95.08585	11.1
96.08870	1.5
97.02875	6.4
97.06493	2.4
105.07019	26.0
107.04941	2.6
107.08570	10.4
109.02848	4.7
109.06489	19.0
109.10139	14.6
110.10443	1.1
111.08070	1.5
113.64186	1.2
115.05470	1.0
117.03339	1.2
117.07040	4.9
119.04914	2.7
119.08556	29.5
121.06499	2.3
121.10143	6.5
122.07284	1.3
123.08044	6.0
123.11684	47.8
125.05985	10.4
127.03901	7.2
128.06149	1.8
129.06969	2.1
130.07791	2.2
131.08563	6.8
133.06516	9.0
133.10109	7.6
135.08047	2.2
135.11635	1.2
137.09583	39.9
139.07523	2.3
141.06946	4.2
143.08530	6.7
145.02805	1.8
145.10088	22.0
146.10883	1.7
147.04376	4.3
147.08057	9.0
147.11655	28.2
148.19925	1.2
149.05966	2.9
149.09608	9.5
151.07542	5.3
151.11191	2.0
156.09311	14.3
159.08026	4.7
159.11685	1.3
161.09579	1.4
161.13298	2.8
163.11139	1.9
171.11665	6.1
174.10408	5.9
177.05478	12.2
179.14342	2.3
189.12708	73.7
207.13771	30.3
304.65082	1.2
333.17261	1.6
351.18018	4.6
369.14862	8.3
369.19037	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1178
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
52.30620	0.2
53.03939	0.6
55.01865	0.5
55.05504	2.1
55.29124	0.2
56.47667	0.2
57.03430	1.5
57.07070	0.4
59.04994	0.6
61.02914	1.2
63.02356	0.5
67.05499	2.5
69.03413	3.1
69.07049	3.0
71.04974	1.3
73.02890	0.3
73.06539	5.9
74.06864	0.3
78.04669	0.3
79.05476	1.2
80.74885	0.3
81.03400	1.1
81.07035	3.8
82.07384	0.3
83.04980	1.7
83.08614	1.8
84.08935	0.4
85.02896	5.4
85.06565	1.0
89.03898	13.5
91.05456	3.1
92.09113	0.6
93.07009	2.7
95.01286	0.4
95.04960	0.6
95.08587	3.3
96.08945	0.6
97.02878	1.2
97.06504	1.2
99.08109	0.4
103.05457	0.7
105.03377	1.3
105.07021	2.6
106.04173	1.3
107.04963	0.4
107.08571	2.7
108.08923	0.3
109.02905	0.3
109.06506	0.6
109.10140	4.5
110.10511	1.2
111.04434	0.6
111.08047	0.4
113.02340	1.5
113.09641	0.3
117.03358	49.4
119.04936	1.2
119.08544	2.6
120.95879	0.3
121.06480	0.7
123.11669	1.8
127.03905	1.3
131.08574	0.4
133.06477	0.4
133.10083	0.5
134.03598	3.9
135.04416	4.1
135.11693	1.9
137.09583	1.8
141.12704	0.6
142.13037	0.3
145.02829	100.0
145.10072	1.1
146.03123	0.4
147.04356	1.2
147.11633	1.1
149.05952	16.4
149.09566	0.6
153.12708	2.7
154.13142	0.4
161.13283	1.2
162.03030	0.5
163.03853	1.6
163.11224	0.4
171.11842	0.3
171.12305	0.4
171.13753	5.7
172.14090	2.2
177.05435	94.9
178.05795	0.6
183.41483	0.3
186.05441	0.4
189.12761	1.5
207.13782	2.3
210.83716	0.3
319.37796	0.3
369.15103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1177
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
51.59893	0.2
53.03941	0.3
55.01861	0.4
55.05501	1.3
55.07732	0.2
55.90726	0.2
57.03425	3.6
57.05998	0.2
57.81862	0.2
58.03762	0.3
63.02383	0.4
64.27316	0.2
65.47778	0.2
67.05487	2.2
67.69040	0.2
69.03433	0.9
69.07048	2.3
70.07384	0.5
71.04970	0.2
78.04676	0.4
79.05503	0.3
81.07015	0.4
83.04976	2.0
83.08592	2.0
85.02885	1.6
85.06516	0.4
89.03898	10.5
91.05459	0.5
92.08652	0.3
92.09161	0.8
93.07016	0.3
94.86855	0.2
94.87507	0.3
95.04988	0.3
95.08634	0.2
97.06546	0.5
103.05463	0.6
106.02898	1.0
106.04165	0.5
109.10139	6.2
110.10504	1.3
111.04438	1.3
111.08064	0.4
117.03358	40.0
124.03913	0.4
127.11164	3.2
128.11537	1.1
134.03622	3.5
135.04398	2.8
140.45007	0.2
145.02826	95.9
146.03162	0.4
149.05951	15.7
150.06161	0.3
153.12741	1.3
162.03172	0.4
163.03854	1.1
167.91196	0.3
171.13770	5.5
172.14113	1.5
177.05431	100.0
178.05795	1.1
200.85782	0.2
268.08160	0.4
337.26620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01853	1.3
55.05511	9.8
56.96552	1.2
57.03418	6.1
57.07051	4.1
59.04985	6.5
61.02909	1.5
65.07184	1.0
67.05493	6.0
69.03418	9.4
69.07056	35.4
71.04977	46.4
73.02903	1.8
73.06531	8.4
79.05476	10.1
81.03377	5.3
81.04538	1.2
81.07041	43.0
83.04955	1.9
83.08597	6.8
84.96017	1.8
85.02892	22.0
85.06522	5.7
89.57994	1.2
91.05456	4.9
93.06487	1.8
93.07027	33.5
95.04958	1.8
95.08574	11.6
97.02869	5.3
97.06515	11.7
99.04446	10.6
99.08047	4.8
105.03336	1.2
105.07008	2.5
107.08578	33.5
109.02827	3.9
109.10147	15.6
111.08042	5.0
113.09633	1.5
115.07485	1.7
119.08536	4.0
123.11655	7.3
125.09635	1.7
125.13261	2.0
127.03882	4.6
127.11155	3.9
129.09047	1.1
135.11671	43.5
141.12691	6.4
145.04919	1.8
148.09363	1.1
149.41193	0.9
153.12721	100.0
165.12610	1.3
170.97308	1.1
171.10136	1.7
171.13766	30.5
189.14828	5.2
261.09662	6.4
282.15286	1.4
315.18106	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01853	1.3
55.05511	9.8
56.96552	1.2
57.03418	6.1
57.07051	4.1
59.04985	6.5
61.02909	1.5
65.07184	1.0
67.05493	6.0
69.03418	9.4
69.07056	35.4
71.04977	46.4
73.02903	1.8
73.06531	8.4
79.05476	10.1
81.03377	5.3
81.04538	1.2
81.07041	43.0
83.04955	1.9
83.08597	6.8
84.96017	1.8
85.02892	22.0
85.06522	5.7
89.57994	1.2
91.05456	4.9
93.06487	1.8
93.07027	33.5
95.04958	1.8
95.08574	11.6
97.02869	5.3
97.06515	11.7
99.04446	10.6
99.08047	4.8
105.03336	1.2
105.07008	2.5
107.08578	33.5
109.02827	3.9
109.10147	15.6
111.08042	5.0
113.09633	1.5
115.07485	1.7
119.08536	4.0
123.11655	7.3
125.09635	1.7
125.13261	2.0
127.03882	4.6
127.11155	3.9
129.09047	1.1
135.11671	43.5
141.12691	6.4
145.04919	1.8
148.09363	1.1
149.41193	0.9
153.12721	100.0
165.12610	1.3
170.97308	1.1
171.10136	1.7
171.13766	30.5
189.14828	5.2
261.09662	6.4
282.15286	1.4
315.18106	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41546	0.7
53.03922	5.2
55.01864	7.9
55.05491	4.5
57.03428	17.5
57.07050	3.7
59.32588	0.7
61.02913	8.1
67.05482	7.9
68.34634	0.8
68.99762	1.9
69.03416	37.3
69.07056	9.2
71.04613	1.1
71.04977	25.4
71.08612	26.8
73.02899	7.0
79.05451	0.9
80.05764	0.8
81.02932	1.1
81.03396	25.2
81.07028	4.3
83.08620	5.9
85.02890	100.0
85.06506	0.8
87.00813	46.5
87.04426	1.2
88.33733	0.8
90.27444	0.8
91.03940	1.7
93.07054	0.8
95.08569	1.0
97.02263	1.2
97.02866	29.0
97.06451	1.1
97.10152	1.7
99.04432	14.2
99.08067	25.1
101.02343	0.9
105.01846	38.2
105.03348	1.0
107.08581	0.8
109.02861	22.9
109.03971	0.9
109.10143	33.5
111.11761	0.8
114.09078	0.8
114.37197	0.8
117.01825	1.7
126.05550	0.9
127.02966	1.8
127.03883	44.7
127.11191	6.2
129.01802	1.8
131.65329	0.8
135.04398	1.7
135.11673	1.9
136.04706	1.4
145.02879	1.0
145.04938	16.5
145.12213	45.0
146.03178	1.3
147.02859	1.7
153.12712	5.6
159.02829	8.2
163.03888	10.1
164.04224	9.2
171.02859	0.9
171.13760	8.7
189.14809	13.6
206.08011	1.1
213.03839	1.3
231.04970	10.8
249.05945	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	368.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.6
53.03917	0.7
54.82290	0.5
55.01864	0.6
55.05287	0.5
55.05499	6.6
55.70760	0.4
57.03415	1.1
57.07050	0.7
58.00427	0.5
59.04996	3.8
61.02900	1.3
67.05495	5.8
67.09850	0.5
69.03413	4.3
69.07056	10.3
71.04973	44.5
73.02877	1.0
73.06534	10.0
79.05473	8.2
81.03393	0.7
81.07037	50.2
82.07376	0.8
83.04947	2.4
83.08588	3.7
85.02884	9.4
85.06524	15.3
85.76937	0.6
87.04437	2.2
91.05458	4.5
92.08650	0.7
92.09159	2.1
93.07020	35.3
95.04931	0.9
95.08569	7.8
97.02897	4.0
97.06491	6.4
99.04429	1.2
99.08048	3.3
105.07001	1.3
107.08573	28.1
109.02824	1.3
109.06502	3.8
109.10130	5.2
111.08047	8.7
112.12157	0.5
115.07540	6.2
125.09589	1.3
127.03888	2.4
129.09090	26.8
135.11659	36.6
137.05945	2.2
145.04936	1.3
147.02315	0.5
153.09161	2.0
153.12712	100.0
157.08546	1.2
162.12608	0.7
171.10155	9.8
171.13785	2.2
177.05443	0.6
189.11189	13.4
206.15292	2.9
315.10831	0.7
368.20554	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	368.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02043	1.3
53.03926	9.4
55.01854	6.1
55.05505	10.8
57.03418	10.8
59.04989	82.5
61.02900	8.5
64.33456	1.6
67.05489	44.7
69.03412	49.4
69.07050	14.7
71.04605	2.3
71.04972	39.9
72.65487	1.4
73.02887	7.6
79.05473	12.0
81.03398	32.0
81.07030	27.7
82.07383	2.1
83.04938	6.0
83.08607	13.6
85.02363	1.9
85.02885	94.9
85.06526	92.5
87.04447	82.7
89.06007	24.0
91.03925	6.5
91.05428	6.7
92.08985	5.3
93.07030	25.9
95.04932	6.2
95.08576	15.6
97.02866	100.0
97.06501	6.8
99.04425	18.0
99.08058	2.9
105.05477	48.9
105.07006	3.0
107.08573	33.8
109.02872	28.4
109.06500	8.6
109.10140	83.4
111.04415	2.3
111.08057	12.4
115.07543	2.0
121.10123	1.4
123.08060	3.4
123.11640	2.1
124.11977	1.7
125.09571	14.9
127.03886	59.8
127.07518	3.1
127.11149	21.7
129.09076	7.9
135.08026	2.2
135.11670	16.9
137.05928	3.4
143.10648	3.2
145.03833	2.2
145.04924	47.0
152.11493	2.3
153.09108	15.6
153.12724	12.7
171.10135	26.1
171.13791	9.5
173.07944	1.6
189.11212	9.4
206.15373	10.3
213.07420	2.7
231.08585	24.2
249.09657	16.9
368.20624	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	368.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.7
54.08250	0.2
54.81451	0.3
55.01871	0.3
56.05019	1.6
57.03428	1.2
69.03418	6.6
71.04968	1.2
74.06052	1.6
77.03909	0.5
79.05475	6.5
81.03403	13.0
84.04491	15.6
85.02417	0.5
85.02892	9.1
85.05271	0.5
92.08712	0.6
92.09271	0.6
95.04948	6.1
97.02873	8.7
97.68098	0.2
99.04435	1.7
102.05524	69.9
105.03378	100.0
109.02857	7.2
118.69369	0.3
123.04412	9.4
123.61420	0.3
127.03898	5.0
144.06644	0.3
145.04979	0.5
148.70282	0.2
210.07625	1.0
231.06583	1.3
249.07527	8.8
267.08582	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02043	1.3
53.03926	9.4
55.01854	6.1
55.05505	10.8
57.03418	10.8
59.04989	82.5
61.02900	8.5
64.33456	1.6
67.05489	44.7
69.03412	49.4
69.07050	14.7
71.04605	2.3
71.04972	39.9
72.65487	1.4
73.02887	7.6
79.05473	12.0
81.03398	32.0
81.07030	27.7
82.07383	2.1
83.04938	6.0
83.08607	13.6
85.02363	1.9
85.02885	94.9
85.06526	92.5
87.04447	82.7
89.06007	24.0
91.03925	6.5
91.05428	6.7
92.08985	5.3
93.07030	25.9
95.04932	6.2
95.08576	15.6
97.02866	100.0
97.06501	6.8
99.04425	18.0
99.08058	2.9
105.05477	48.9
105.07006	3.0
107.08573	33.8
109.02872	28.4
109.06500	8.6
109.10140	83.4
111.04415	2.3
111.08057	12.4
115.07543	2.0
121.10123	1.4
123.08060	3.4
123.11640	2.1
124.11977	1.7
125.09571	14.9
127.03886	59.8
127.07518	3.1
127.11149	21.7
129.09076	7.9
135.08026	2.2
135.11670	16.9
137.05928	3.4
143.10648	3.2
145.03833	2.2
145.04924	47.0
152.11493	2.3
153.09108	15.6
153.12724	12.7
171.10135	26.1
171.13791	9.5
173.07944	1.6
189.11212	9.4
206.15373	10.3
213.07420	2.7
231.08585	24.2
249.09657	16.9
368.20624	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	367.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38715	1.0
53.00290	1.4
53.03922	3.2
53.88414	1.0
55.01851	1.7
55.05310	1.1
55.05501	17.2
57.07056	8.3
63.88211	1.1
65.03909	2.3
67.05486	35.6
69.03396	8.5
69.07054	13.9
71.04965	7.2
75.68085	1.5
79.05468	36.1
81.07034	47.6
83.04942	1.8
83.08588	6.6
85.06514	1.8
91.04890	1.4
91.05455	52.2
93.07014	77.4
95.04327	1.3
95.04942	32.5
95.08577	40.4
97.06474	11.5
103.05437	5.1
105.07005	100.0
107.08565	38.5
109.06481	8.4
109.10123	29.2
111.08061	2.3
115.05405	5.3
116.06192	2.5
117.06988	20.6
119.08547	76.8
121.06464	7.0
121.10110	37.3
123.08044	5.5
123.11638	8.6
128.06229	11.3
129.06982	15.1
130.07727	7.9
131.07640	2.3
131.08537	44.8
132.08788	1.3
133.06491	2.2
133.10106	42.5
135.07996	10.0
135.11649	10.6
137.09515	2.1
141.06943	7.0
142.07745	20.2
143.08530	33.7
144.09337	10.0
145.06433	2.1
145.10095	47.8
146.07210	6.8
147.08020	7.5
147.11659	12.3
149.09583	5.8
153.06935	2.8
154.07770	2.1
155.08537	12.9
156.09306	15.0
157.10098	35.0
158.07072	1.8
158.10835	7.5
159.08038	6.0
159.11682	22.5
161.09575	21.3
161.13205	2.6
165.06993	2.7
167.08533	8.0
168.09296	6.2
169.10095	19.4
170.10825	6.4
171.08022	1.8
171.11652	17.8
172.08701	1.5
172.12364	2.1
173.09639	6.7
173.13176	14.2
175.11194	2.8
175.14783	6.2
179.08461	9.3
180.09317	2.9
181.10054	7.2
182.10756	3.0
183.11646	14.2
184.12369	1.8
185.09598	1.5
185.13187	11.8
187.14786	8.2
189.12747	1.6
193.10120	2.8
194.10852	6.2
195.11581	8.5
196.12416	6.3
197.13206	8.6
199.14742	7.9
200.11256	1.4
201.16357	2.6
207.11623	2.9
208.12469	1.9
209.13255	9.7
210.13878	1.7
211.14760	7.0
213.12711	2.4
215.14450	1.4
221.13152	2.0
223.14856	2.5
225.16316	1.9
227.14192	6.8
228.02339	1.5
229.15804	2.2
237.16365	1.9
239.17824	3.0
265.19516	1.6
341.55688	1.3
349.25031	6.7
367.26202	7.4
375.73160	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00990	1.9
51.62833	2.2
53.03934	5.7
55.01871	32.0
55.05506	43.6
57.03429	24.5
57.07063	4.2
60.43534	2.3
65.03917	2.9
67.05144	3.6
67.05492	79.5
67.79254	2.3
69.03414	3.8
69.07057	35.9
71.04942	4.1
73.94466	2.3
76.33733	2.2
79.05048	4.3
79.05476	72.3
81.03398	5.1
81.06602	3.8
81.07042	100.0
83.04953	12.0
83.08628	17.5
86.09685	2.7
88.35567	2.2
91.05468	58.8
92.08790	14.3
92.09402	4.5
93.07020	68.1
95.04972	22.6
95.08594	42.5
97.06529	19.2
97.10152	6.2
105.07023	66.3
105.07710	3.1
107.04926	19.5
107.08590	50.3
107.21931	2.8
109.06489	15.6
109.10143	19.9
111.08061	4.9
117.06989	22.6
119.08561	42.2
121.06439	3.1
121.10101	14.1
123.08025	9.7
123.11712	5.1
125.09631	4.4
129.07036	3.0
131.08539	26.3
133.10092	33.3
135.08011	10.2
135.11667	15.3
137.09601	4.1
143.08583	3.5
145.10110	24.9
147.11700	17.9
149.09601	19.2
149.13213	5.5
155.08542	3.5
157.10059	4.0
159.11650	10.4
163.11134	4.2
171.10153	5.9
171.11531	2.5
173.13223	5.9
177.12653	3.5
194.43794	2.6
239.17921	3.7
247.20512	2.6
257.18945	9.6
275.20038	54.4
293.20822	3.8
294.25284	3.1
349.23660	37.4
367.24759	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03933	3.1
54.75540	2.2
55.01863	13.4
55.05504	29.9
55.60304	2.6
55.74680	2.4
56.96554	3.4
57.03422	6.2
67.05495	47.3
69.07059	33.6
71.05006	2.5
74.81347	2.0
78.80573	2.2
79.05480	40.2
81.06595	3.6
81.07042	58.6
83.04966	13.8
83.08582	6.1
91.05458	46.7
92.08840	10.4
93.07024	57.7
93.88656	3.1
95.04945	11.7
95.08578	30.3
97.06524	4.0
97.10132	3.6
102.58253	2.8
105.03373	2.5
105.07006	48.0
107.04948	16.9
107.08598	36.8
109.06524	18.0
109.10131	18.3
112.69219	2.5
117.07009	14.1
119.08553	34.5
121.06486	17.7
121.10141	17.8
123.08064	14.5
131.08559	30.7
133.06465	3.8
133.10115	27.5
135.08028	10.5
135.11679	10.9
137.09581	4.0
143.08540	5.0
145.06358	2.6
145.10107	23.7
147.08080	4.2
147.11693	19.6
149.09589	6.2
149.13220	4.6
151.11189	6.0
157.10092	3.2
159.07997	5.0
159.11685	13.3
161.09627	4.4
161.13153	4.4
163.11134	10.5
173.09567	4.1
173.13226	12.3
183.11746	3.7
187.11139	3.1
201.12802	4.1
239.17923	5.1
257.18903	16.6
275.20032	100.0
293.21121	4.8
349.23648	65.7
367.24860	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.1
53.03931	13.1
54.47712	1.5
55.01858	19.9
55.05502	47.4
56.96987	1.8
57.03427	13.1
57.07051	2.2
59.06094	1.8
64.33689	1.6
64.75922	1.5
65.03933	2.6
66.30969	1.5
67.05489	67.8
68.00687	1.8
69.03407	6.9
69.07053	40.0
69.59363	1.7
71.04967	4.2
77.63411	1.8
79.05474	100.0
80.52164	1.5
81.03405	22.5
81.07035	67.0
83.04963	23.9
83.08617	13.3
85.06527	2.6
91.05460	75.8
93.06416	2.5
93.07016	72.4
95.01315	12.2
95.04951	22.6
95.08582	42.9
97.06500	18.0
97.10163	4.1
103.05521	1.7
105.07011	86.6
107.04942	44.3
107.08566	50.2
109.06486	11.3
109.10143	16.6
115.05438	2.0
117.06993	22.9
119.08559	42.5
121.06467	4.2
121.10118	21.2
121.80282	1.8
123.04379	2.4
123.08013	2.6
123.11668	2.4
125.09589	7.5
128.06198	2.3
129.06943	2.9
131.08534	27.2
133.10092	40.3
135.08046	3.8
135.11661	9.2
141.06961	2.4
143.08517	3.6
145.06468	2.4
145.10071	18.4
147.11670	17.1
149.09576	31.1
149.13252	3.1
159.11658	12.2
161.13213	3.7
163.11133	3.5
169.10126	3.2
171.11607	2.3
173.11577	1.9
179.14267	3.9
257.18961	8.6
275.20023	51.9
349.23657	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.4
55.01864	11.4
55.05501	58.4
57.03409	5.0
57.07064	1.4
67.05143	1.6
67.05487	40.3
68.87529	1.0
69.03404	2.3
69.07051	9.1
71.04967	2.5
74.39781	1.0
77.68468	1.1
78.88995	1.0
79.05470	100.0
81.07030	32.9
83.04959	27.1
83.08585	10.4
91.05453	38.9
92.09125	5.5
93.07018	48.1
95.04939	7.4
95.08577	15.8
97.10143	15.8
105.07012	40.5
107.04939	35.7
107.05636	2.4
107.08566	49.5
109.06491	2.8
109.10142	13.3
111.08055	5.4
112.81752	1.3
117.06986	16.1
119.08553	23.8
121.06487	4.8
121.10107	15.6
123.11689	2.7
125.09614	10.3
129.06937	2.6
131.08543	12.2
133.10077	15.1
135.08003	5.3
135.11678	4.8
143.08582	1.8
145.10049	10.7
147.11668	10.0
149.09593	46.9
149.13202	2.3
159.11630	6.3
163.14720	1.7
169.10085	2.5
169.12190	1.9
173.13170	3.0
189.11226	5.4
197.13275	1.5
209.15228	1.9
227.12685	2.5
229.19519	2.2
239.17973	1.6
257.18857	10.1
275.19971	29.9
349.19775	2.5
349.23642	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
54.81008	0.7
55.05512	6.3
57.03443	3.4
57.07080	2.0
59.05005	3.2
61.02932	4.8
63.55548	0.8
67.05494	6.6
69.03094	1.5
69.03404	9.2
69.07052	16.6
71.04980	35.9
73.02905	1.0
74.43298	0.8
79.05470	13.1
79.05813	0.7
81.03395	3.3
81.07036	100.0
82.07376	1.3
83.04968	6.4
83.08611	1.1
85.02888	19.9
85.06567	2.0
87.08076	1.0
91.03954	1.0
91.05488	5.2
92.08903	3.6
93.07014	11.1
94.07355	1.7
95.04968	4.3
95.08595	5.0
97.02863	6.0
97.06504	6.4
97.10150	1.1
98.73241	0.9
99.04456	1.7
99.08092	5.4
101.06046	0.8
105.03411	1.0
105.07041	4.7
107.08569	19.3
107.09164	0.8
108.08891	1.2
109.02860	2.0
109.06544	3.9
109.10149	23.7
111.08099	4.4
111.11706	9.6
113.06022	1.3
121.10157	3.3
123.08056	1.7
123.11687	28.4
123.12540	1.1
124.12039	1.8
127.03933	1.5
127.11237	1.2
129.09142	0.9
133.10130	8.8
134.10440	1.3
137.51228	0.9
138.43707	0.8
139.11137	12.1
141.12761	1.3
145.04982	1.8
151.11166	32.1
152.11545	1.6
157.12221	13.3
161.09676	1.2
169.12198	27.4
171.10114	0.9
177.73555	0.8
187.13258	73.7
188.13513	1.3
189.11221	1.0
205.08656	1.6
205.14433	3.8
279.71036	1.0
299.45959	0.8
314.33759	0.8
357.99390	1.1
367.09647	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
54.96178	0.7
55.01861	1.9
55.05500	8.5
57.03420	4.1
57.07057	1.3
59.04985	4.2
60.09540	0.7
61.02912	3.3
67.05485	9.1
69.03414	11.5
69.07052	18.6
70.02963	0.7
70.06581	1.1
71.04610	1.7
71.04974	33.2
71.78967	0.7
72.08103	1.0
73.02877	0.8
75.04452	0.9
79.05475	16.1
81.01035	0.8
81.03386	3.4
81.07036	100.0
82.07356	6.0
83.04966	10.2
83.08593	3.5
85.02885	27.4
85.06525	3.5
86.03225	1.2
86.09689	1.3
86.69297	0.7
87.00860	0.9
87.04447	1.3
87.08074	1.4
91.05468	5.3
92.05783	0.8
92.08943	4.3
93.07018	13.1
94.07353	1.8
95.04909	3.0
95.08569	6.1
96.08897	1.0
97.02885	7.4
97.06508	9.8
97.10168	1.0
98.97554	1.2
99.04434	3.2
99.08064	6.5
101.06045	0.7
105.03374	1.3
105.07024	8.6
106.07308	1.0
107.08576	28.9
108.08901	5.0
109.02842	2.0
109.06490	6.7
109.10146	25.1
110.10465	1.8
111.08051	5.5
111.11691	8.2
113.05999	1.2
121.10124	4.7
123.08072	0.9
123.11678	31.3
124.11993	4.1
125.09567	1.8
127.03882	4.1
127.07543	0.9
128.98605	1.0
133.10101	9.0
134.10440	3.3
136.06158	1.8
139.11165	10.6
143.24971	0.9
145.04929	3.3
147.09135	3.5
151.11159	29.9
152.11552	3.6
153.09123	1.4
157.12207	12.9
158.59859	0.9
163.05807	0.8
165.61340	0.8
169.12204	27.3
170.12563	1.3
171.10120	1.7
183.32690	0.9
187.13254	63.1
197.01170	1.1
205.14249	7.7
250.02946	0.8
281.14847	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87030	0.3
51.02351	0.3
53.03941	4.1
55.01862	0.8
55.05505	3.1
56.10717	0.3
56.96568	0.4
57.03431	2.4
61.02912	0.6
64.33292	0.3
67.05495	1.8
69.03419	8.9
69.07062	0.7
70.20252	0.3
71.04977	1.8
73.02888	0.6
79.05479	10.4
81.03397	9.2
81.07027	2.2
83.04961	0.8
83.08596	1.3
85.02891	13.9
85.06518	0.3
91.05466	2.0
92.08837	2.3
93.07021	2.0
93.46933	0.3
95.04949	9.4
95.08569	1.8
97.02867	4.7
97.06496	0.8
99.04441	1.3
105.03376	100.0
105.06993	0.6
106.03656	0.3
107.04999	0.5
107.08585	1.6
109.02861	4.6
109.06491	0.6
111.04418	0.4
111.08070	0.7
119.08569	0.7
120.99780	0.3
121.06496	0.6
121.10098	0.4
123.04411	12.3
123.07977	0.5
127.03873	4.1
132.08954	0.3
135.08018	0.5
137.09610	0.5
139.07495	0.7
141.09077	0.7
145.04956	0.5
151.07510	0.7
172.47568	0.3
203.30730	0.3
217.29616	0.3
249.07506	4.9
267.08542	5.8
294.61856	0.4
331.15366	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01859	1.1
55.07189	0.3
57.03427	2.5
58.84566	0.3
61.02908	2.1
69.03413	8.2
71.01334	1.1
71.04974	2.5
73.02892	0.7
81.03386	1.6
85.02881	0.3
92.08995	1.0
97.02854	0.4
99.04420	1.9
105.03343	0.4
106.75890	0.3
108.69466	0.3
109.10128	0.4
110.18777	0.3
118.06502	1.4
120.08106	0.4
127.03809	0.3
132.08145	0.3
145.07587	9.4
145.46161	0.3
146.08344	0.4
147.09145	20.4
157.07576	0.4
159.09138	8.1
160.09935	1.6
163.03865	0.5
171.09299	0.3
173.07121	0.6
173.10701	1.2
175.08643	1.1
184.09871	0.4
185.10730	3.3
186.11496	0.6
187.08653	1.1
187.12321	0.8
189.10229	1.0
191.08115	100.0
192.08461	0.7
197.10695	1.3
199.08644	1.1
199.12308	1.1
201.10199	0.4
203.11824	0.3
213.10184	1.6
215.11826	0.5
216.07631	5.5
225.10237	1.2
231.11180	0.5
243.11266	0.6
245.09193	0.5
263.13855	7.7
271.10748	0.5
289.11816	3.8
307.12820	28.2
350.13394	51.1
351.13611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81439	1.9
55.05505	3.8
57.07071	52.2
64.32903	1.9
67.05503	3.0
68.78437	2.2
69.07037	2.8
71.08616	29.1
72.97849	1.9
73.06520	2.7
76.21645	2.2
81.07058	2.9
85.10172	18.1
89.06018	100.0
89.54898	1.9
107.07044	10.0
112.30569	2.2
133.08617	26.0
170.85075	2.4
195.12294	30.6
257.08807	2.4
349.29416	44.2
366.25937	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1496
Annotation	Semilepidinoside B
Peak:m/z	Relative Intensity
53.03926	0.5
55.01872	0.8
57.03428	1.4
58.07309	0.5
61.02914	1.0
67.05492	1.4
68.28404	0.5
69.03410	5.5
69.07052	2.5
70.06570	4.0
71.04951	0.7
73.02933	0.8
79.05503	2.2
81.03395	2.8
81.07053	2.8
83.04963	1.1
84.08086	0.6
85.02880	14.4
91.05463	2.9
92.09100	1.7
92.64540	0.6
93.07008	3.1
95.04964	1.1
95.08602	0.7
96.03905	0.6
96.08897	0.7
97.02852	6.8
97.06481	0.9
99.04439	0.7
105.07031	1.1
105.39117	0.5
107.08585	3.0
109.02876	0.8
109.10134	0.7
111.04385	0.6
112.07601	3.8
115.05479	0.8
117.06973	1.2
118.06525	14.2
123.08012	1.2
123.11700	0.7
124.08346	0.7
127.03867	0.8
129.06987	1.0
130.06491	6.7
132.08066	7.8
133.10098	0.7
135.02795	0.8
137.09627	2.9
140.07074	3.2
140.35172	0.6
142.06474	2.2
143.07271	5.5
144.08057	19.7
144.09131	0.8
145.07582	1.4
146.05977	68.5
151.11195	2.3
154.06575	1.0
156.08043	9.5
158.05946	0.9
158.08200	1.2
158.09601	0.8
159.09181	4.2
160.07527	5.8
162.00533	0.7
167.07057	0.6
168.06577	3.6
168.08055	3.5
169.12234	1.1
170.05951	6.1
172.07539	1.2
182.06094	0.7
183.06786	0.9
183.09160	1.0
184.07567	4.6
185.08368	0.9
186.05354	0.9
186.09027	0.8
187.09625	1.1
188.07024	100.0
196.07535	0.7
200.07253	0.9
201.07841	0.7
202.08606	3.9
205.09706	24.9
212.07092	0.9
229.09599	0.8
230.05789	1.3
230.08063	26.3
247.10767	5.4
258.11111	0.9
331.12833	0.8
332.11081	1.4
349.13907	1.4
350.12149	7.9
357.31271	0.6
366.62738	0.7
367.14893	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01839	0.7
55.05489	1.7
57.03428	0.9
59.04955	0.4
61.02909	2.4
65.03896	0.5
65.96085	0.4
67.05479	2.0
69.03411	6.4
71.04970	10.2
73.02887	0.9
79.05468	16.7
81.03400	2.4
81.07033	100.0
83.04964	9.0
83.08593	1.0
85.02882	15.7
85.06525	0.5
87.04428	1.5
91.05446	2.3
92.08873	0.8
93.07020	13.8
95.04951	2.3
95.08578	1.9
97.02872	4.6
99.04417	0.8
99.08069	2.3
105.07010	2.7
105.25255	0.4
105.88770	0.4
107.08570	2.0
109.02889	0.9
109.06534	0.6
109.10139	0.5
111.08083	0.4
111.98232	0.3
123.08036	0.5
123.11686	3.1
127.03875	4.9
133.10097	5.2
145.04919	3.9
151.11215	1.6
163.06030	0.9
163.55136	0.4
169.12193	0.7
243.12241	5.8
270.16470	0.4
286.75589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33132	0.4
53.03933	2.3
55.01859	0.7
55.05505	3.7
57.03420	1.7
59.04995	0.5
60.32747	0.3
61.02909	1.6
67.05482	2.9
69.03426	4.9
69.07066	0.4
71.04969	7.5
72.08150	0.5
73.02929	0.5
74.06080	0.4
79.05472	17.1
81.03400	1.3
81.07036	100.0
83.04968	5.6
83.08617	1.4
85.02886	12.6
85.03359	0.6
86.09698	0.6
91.05464	3.4
92.08768	0.4
92.09246	0.5
93.07024	12.4
93.78406	0.3
95.04930	2.8
95.08590	2.3
97.02866	2.8
97.06544	0.5
99.04429	0.6
99.08085	1.6
105.07009	3.3
107.08560	4.0
109.02850	0.9
109.06499	1.7
109.10163	1.6
111.08071	0.4
123.08049	0.9
123.11691	3.8
127.03889	3.5
128.76265	0.4
130.17473	0.4
131.08539	0.5
133.10112	4.1
145.04961	2.6
148.33148	0.4
151.11191	2.8
169.08498	0.4
169.12216	2.4
187.09691	0.4
187.13275	0.5
224.83594	0.4
243.12238	5.1
275.69678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01864	0.8
55.05510	7.3
57.03434	5.0
57.07056	4.1
59.04996	0.9
60.04506	0.7
61.02907	3.7
67.05489	20.1
69.03417	10.9
69.07058	11.5
71.04973	10.3
73.02895	1.3
77.95854	0.6
79.05463	3.4
81.03409	5.3
81.07039	56.7
83.04947	0.9
83.08606	4.7
85.02892	21.5
85.06485	1.2
87.05566	0.7
91.03920	0.9
91.05454	3.3
91.23914	0.7
93.07026	19.0
95.04948	4.0
95.08586	100.0
97.02890	9.0
97.06503	3.5
99.04432	15.5
105.03387	1.5
105.07014	3.6
107.04971	1.0
107.08575	9.1
109.02888	1.2
109.06500	7.0
109.09389	1.5
109.10144	46.0
111.08070	3.4
113.05994	13.5
113.09648	0.8
119.04900	2.9
120.08070	5.3
120.50512	0.7
121.10109	1.6
123.11687	80.0
125.09546	2.2
127.03909	5.9
127.07550	2.8
133.10115	11.6
137.05896	1.1
137.09573	3.5
144.08083	0.9
145.04950	1.6
147.04367	3.0
151.11163	43.8
162.09161	1.0
165.09065	1.5
169.12206	75.5
187.13295	4.3
207.11293	2.8
235.10809	0.8
245.23740	0.7
308.38196	0.7
340.48178	0.8
372.10031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.9
55.01869	7.2
55.05500	4.3
57.03431	9.8
59.04977	2.9
60.04478	0.8
61.02914	12.6
63.39470	0.6
63.54817	0.6
66.02400	0.5
67.05480	5.2
68.99773	2.7
69.03416	41.8
69.07067	4.8
71.04971	9.9
73.02899	6.6
75.04481	0.9
76.42274	0.6
79.05478	4.1
79.52660	0.6
81.03403	23.9
81.07042	20.0
83.01356	0.7
83.04951	3.5
83.08614	7.5
85.02889	100.0
85.06535	5.3
87.00809	58.0
87.01347	1.0
87.04440	4.5
91.03907	1.2
91.05462	3.2
92.08917	2.8
93.07018	10.8
94.07344	1.1
95.04947	2.6
95.08588	5.2
95.66739	0.6
97.02261	1.3
97.02868	28.7
97.06515	1.1
99.04432	11.2
99.08057	0.8
104.49081	0.6
105.01849	51.4
105.03352	1.4
105.05492	1.7
105.06998	7.2
105.08593	0.6
107.08574	11.4
109.02865	28.2
109.06484	3.1
109.10151	18.2
111.08067	2.9
113.05971	3.9
115.07480	0.9
117.01819	1.7
121.10137	4.9
122.10463	1.3
123.08006	0.8
123.11678	18.0
125.09604	7.6
127.03893	54.4
129.01804	3.0
131.06999	0.9
133.10086	7.8
139.11116	0.8
145.04945	19.2
147.02974	0.7
147.04349	0.7
151.11159	12.6
159.02890	7.8
167.10666	0.8
169.08546	0.9
169.12204	19.0
182.08205	0.7
187.13243	8.8
189.03853	1.3
213.03888	1.5
231.04988	17.1
249.05963	8.6
271.61102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.4
53.51172	0.5
55.01865	8.7
55.05487	4.5
57.03426	7.3
59.93717	0.6
61.02688	0.4
61.02914	8.1
62.48894	0.5
67.05488	0.6
68.99763	4.0
69.03415	42.9
71.04970	6.7
73.02895	7.3
79.66051	0.5
81.03398	25.9
81.07027	1.1
82.64291	0.6
83.01325	1.0
83.08604	0.5
84.63461	0.7
85.02888	100.0
87.00811	53.1
87.01357	1.1
87.04424	0.6
91.03934	2.5
91.25642	0.6
92.08840	2.7
92.09365	0.7
93.07009	0.8
97.02258	1.3
97.02870	31.7
99.04440	13.4
105.01845	42.1
108.04447	2.5
109.02864	27.6
111.08028	1.1
114.08801	0.5
115.03890	0.9
117.01800	4.5
123.11687	1.0
127.03893	49.8
129.01794	4.5
134.70364	0.6
145.04933	20.4
159.02856	14.1
182.78227	0.5
189.03883	1.4
191.10559	0.7
209.11676	2.2
213.03906	1.2
231.05005	11.0
249.05966	6.3
269.13708	0.6
275.34222	0.6
295.11652	3.7
313.12732	1.0
331.13840	0.7
332.50955	0.6
355.43982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2683
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
51.75871	1.2
55.05490	7.3
57.07060	3.1
67.05489	6.3
69.07042	8.8
70.20245	1.3
71.08626	1.7
74.32368	1.1
79.05482	2.6
81.07025	8.6
83.04900	1.9
91.05460	5.9
93.07007	7.3
95.08572	8.3
98.69585	1.3
105.07015	2.6
107.08570	7.7
109.06515	1.6
109.10155	3.0
111.04425	7.2
111.08069	2.1
121.10144	3.1
123.08045	9.3
125.05982	5.9
135.07999	2.7
135.11679	1.6
137.09570	1.5
145.10141	2.7
145.96089	1.6
147.36349	1.4
151.07495	6.1
152.08257	2.3
165.09100	19.0
165.12660	2.6
179.10635	2.0
208.14575	3.0
221.15428	1.6
287.17798	1.4
305.24680	2.9
319.26236	9.3
347.25735	59.1
347.29718	3.0
365.26794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
54.05195	0.4
55.01866	0.8
55.05507	1.4
56.90936	0.4
57.06804	0.7
57.07066	9.2
67.05486	2.9
69.07053	2.8
73.78299	0.6
75.28342	0.6
79.05483	1.2
81.07035	3.2
83.08611	0.5
84.69857	0.6
85.06536	2.9
91.05456	1.1
92.08685	0.7
92.09168	1.1
93.07037	4.0
95.08599	2.3
97.06494	0.6
105.07003	2.6
107.08579	3.0
109.06493	2.7
109.10126	0.6
111.04376	0.8
112.83290	0.5
119.08604	1.4
120.52691	0.5
121.10159	0.7
123.08040	6.6
124.08805	1.3
125.05936	0.6
131.08449	0.8
133.10120	1.1
135.08014	1.1
135.11661	0.7
137.05997	2.7
137.09575	0.6
149.13290	0.9
151.07515	6.0
151.11119	0.6
152.08315	10.7
161.09689	0.6
165.09076	15.7
166.09947	0.6
179.10622	3.4
193.12262	0.6
194.13010	6.2
207.13770	2.9
249.18459	1.1
263.20050	3.7
279.49799	0.6
319.26437	2.2
347.25766	25.7
365.26801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
56.96544	3.6
57.03411	0.8
67.05484	2.8
67.91517	0.6
68.80698	0.6
69.03400	0.7
69.07048	1.4
77.54082	0.8
78.04269	0.9
79.05451	1.5
81.03371	1.2
81.07025	3.8
84.23550	0.7
84.80171	0.7
91.05457	1.7
92.08635	2.4
92.09267	4.4
92.64148	0.8
93.07029	1.3
95.04963	1.2
95.08572	1.5
97.02864	1.1
97.06510	0.9
98.97591	1.0
105.07060	1.0
107.08578	3.1
111.85074	0.7
119.08528	1.1
126.05898	0.7
129.06960	0.8
133.10078	0.8
147.11711	0.8
150.46947	0.7
150.84758	0.7
230.71704	0.8
231.09010	1.0
269.10471	0.9
285.10074	1.7
308.65338	0.8
365.22910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.0
55.01862	8.6
55.05506	53.2
56.64759	3.6
56.96544	9.0
57.03419	25.5
65.87470	4.4
67.05496	60.7
69.03405	26.4
69.07060	54.4
71.82476	3.7
78.39944	4.1
79.05469	59.0
81.03406	6.7
81.06600	4.2
81.07030	43.3
83.04987	7.9
83.08589	20.4
91.05460	22.2
92.08968	5.3
93.07024	26.9
95.04949	22.6
95.08579	22.8
97.02232	4.2
97.02865	27.6
97.10142	23.9
105.03362	25.3
105.07009	27.5
107.04913	7.0
107.08562	28.2
109.06501	5.3
109.10146	20.3
117.06964	18.3
119.08547	21.7
121.06525	5.7
121.10149	6.3
125.09603	21.5
126.49860	4.0
131.08565	7.3
133.10133	16.4
145.10086	6.7
147.08075	7.0
149.01305	4.5
156.16936	4.3
223.13290	41.2
273.18353	7.9
291.19473	86.4
365.18884	7.1
365.23050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.7
53.16919	0.5
55.05497	1.2
56.96556	2.0
57.03407	0.6
61.02924	0.6
67.05481	3.3
68.41741	0.5
69.03415	0.7
69.07046	1.3
72.37798	0.5
79.05463	3.3
81.03399	0.5
81.07052	4.2
83.04956	1.2
85.02892	1.0
90.97591	0.5
91.05458	2.7
93.07014	3.5
95.04942	1.3
95.08595	2.2
97.02796	0.5
98.97562	1.2
105.03339	0.7
105.07014	1.2
107.08566	1.1
109.10130	0.9
110.92319	0.6
116.98607	0.6
117.07059	0.5
119.08588	2.0
121.10126	0.6
123.08096	0.9
131.08559	0.8
133.10091	1.1
143.36314	0.5
285.30276	0.6
291.19308	0.7
295.15167	0.5
347.21994	0.7
365.22913	100.0
366.23483	1.0
388.53876	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	365.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06859	1.2
55.01869	1.8
55.05504	2.3
57.07060	1.9
58.53457	1.2
59.04963	1.6
64.53802	1.2
67.05473	3.3
68.24532	1.2
69.03398	1.7
69.07051	6.3
71.04974	3.4
79.05480	2.4
81.03389	3.0
81.07030	6.9
83.04951	1.6
85.02887	2.9
85.06517	10.0
91.05473	1.7
92.08698	2.5
92.09238	4.6
92.82710	1.4
93.07022	7.9
95.04922	1.4
95.08600	2.2
97.02893	1.7
97.06524	3.1
99.04440	3.4
104.04948	1.3
105.03374	10.0
105.07029	1.6
107.08582	7.0
108.04487	1.6
109.10122	5.4
111.08080	1.9
113.03537	1.4
118.06525	10.7
120.04441	1.7
121.10121	5.4
122.05978	6.5
125.09638	1.9
129.47029	1.5
130.06526	1.9
133.06462	2.1
138.05443	3.2
139.11137	1.8
140.07059	1.9
142.06450	1.3
144.08086	5.7
146.05968	16.3
146.18280	1.3
148.03935	5.7
148.07561	9.1
149.13252	1.9
166.04964	8.0
167.10623	5.7
167.14265	2.6
168.06438	2.1
170.05936	1.5
171.09225	3.1
171.61960	1.4
172.07545	6.2
174.09106	6.9
175.08644	12.8
176.07088	16.4
178.04959	26.4
178.08684	1.4
185.07048	2.2
185.15364	6.0
186.05396	1.9
186.09131	2.5
188.07076	3.3
189.10197	8.5
190.08592	2.1
196.07632	2.5
199.08679	20.5
200.07088	10.0
202.08646	3.0
203.08154	43.6
203.16365	2.1
204.06538	3.3
213.10191	12.4
214.08572	7.6
216.10272	1.7
217.06339	1.7
217.09746	35.5
227.08150	34.5
228.06578	3.3
228.08737	1.5
229.09702	2.7
231.11188	2.0
235.10706	10.8
241.09700	18.3
242.08023	10.0
245.09192	82.9
246.07565	2.0
247.10661	2.9
259.10699	21.4
263.10233	47.4
269.09192	7.5
271.10550	1.5
273.08661	8.0
277.11603	1.8
287.10199	39.1
289.11850	1.5
291.09735	10.3
305.11276	100.0
315.09726	2.3
323.12372	17.1
333.10760	16.5
333.90787	1.6
365.08307	18.1
365.13342	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42591	0.5
68.42921	0.5
69.67955	0.7
70.60403	0.6
78.91026	0.6
92.08929	2.7
126.26283	0.6
140.76837	0.7
167.06953	0.7
185.04184	17.3
203.05232	52.4
342.84235	0.6
365.10458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
54.03462	1.8
55.05498	0.3
59.04985	0.2
60.04511	0.5
61.02921	0.3
61.17808	0.2
67.05494	0.4
67.05862	0.2
69.03407	0.9
69.07042	0.5
71.04980	0.3
79.05488	1.5
81.04525	100.0
81.07034	1.0
85.02885	1.5
85.06525	1.4
91.05466	0.5
92.08719	0.5
92.09328	0.4
93.07006	2.4
94.07323	0.2
95.04951	1.4
95.08573	0.4
97.02873	0.9
99.05557	39.0
105.03379	10.0
105.07001	0.5
107.08566	3.1
108.04476	1.7
108.08926	0.4
109.02865	0.5
109.06509	0.9
111.08096	0.5
121.10123	4.8
122.02375	3.3
122.10463	1.6
123.04440	0.3
123.08070	0.4
123.11699	0.4
124.03928	0.2
125.09641	0.2
127.03897	0.3
148.03934	0.2
149.09634	1.0
149.13277	0.4
150.05464	0.2
163.65587	0.2
166.04953	1.1
167.10623	2.5
167.14291	0.5
168.06619	1.0
168.11058	0.8
168.23920	0.2
170.08092	0.4
182.04439	2.0
183.05295	0.2
185.11699	1.7
185.15289	0.3
186.11978	0.3
196.06032	2.6
202.12236	0.2
210.50323	0.2
251.85829	0.2
267.08569	0.3
277.43069	0.2
333.10898	1.1
347.12381	0.8
365.08850	0.4
365.13278	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	364.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.6
53.29564	1.1
55.01850	5.2
55.05505	11.8
56.96553	1.7
57.03418	9.2
57.07057	7.3
58.10931	1.1
58.11216	1.0
59.02613	1.1
59.04965	1.6
61.02906	14.6
67.05202	1.0
67.05496	13.2
69.03077	1.5
69.03415	26.6
69.07052	32.2
70.21111	1.1
70.90932	0.9
71.04964	7.3
73.02878	5.9
76.55688	1.4
79.05456	15.4
81.03393	14.6
81.06599	1.9
81.07037	35.8
83.04949	4.8
83.08596	9.9
85.02888	100.0
85.06529	13.7
87.04439	1.7
91.03951	4.5
91.05471	12.9
92.08710	5.6
92.09341	2.8
93.07021	61.4
95.04942	2.6
95.08584	27.4
97.02863	27.8
97.10142	1.4
99.04433	5.7
101.05975	5.4
103.81478	1.3
105.07014	8.0
107.04937	2.2
107.07868	2.4
107.08575	71.3
109.02844	7.0
109.06468	1.8
109.10150	11.4
111.04423	3.0
119.08540	2.6
121.10113	36.5
123.11683	57.0
127.03909	16.8
129.05417	1.3
129.55237	1.7
143.08655	1.2
145.04932	18.1
145.10143	1.6
149.13228	74.1
163.06033	2.0
167.06950	1.9
167.14282	19.4
168.07233	1.4
193.24683	1.3
201.09276	1.2
201.11171	2.3
206.27632	1.3
313.77856	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.9
53.03944	5.2
54.90866	0.6
55.01868	5.3
55.05281	0.8
55.05508	8.2
56.96539	0.9
57.03222	0.6
57.03432	9.0
57.07066	6.5
59.04982	2.5
60.53305	0.6
60.98151	0.6
61.02633	1.0
61.02916	17.8
64.84774	0.5
65.85899	0.5
65.88330	0.6
66.59324	0.5
67.05493	11.0
69.03414	24.4
69.07055	29.1
71.04984	7.5
73.02898	5.4
73.06558	1.0
74.81749	0.7
79.05479	12.8
81.03399	14.4
81.07039	33.4
83.01338	1.1
83.04973	2.9
83.08607	7.2
85.02891	100.0
85.06525	11.0
87.04440	3.3
91.03946	4.3
91.05467	10.9
92.08683	2.7
92.09299	1.4
93.07027	60.7
95.04949	4.0
95.08590	25.4
97.02869	25.2
97.06509	1.3
97.10110	0.9
99.04424	5.5
101.02390	0.7
105.03371	1.0
105.07011	7.9
107.08580	67.1
108.09363	1.0
109.02882	6.4
109.06513	2.5
109.10153	9.2
111.08080	4.8
113.50675	0.6
117.06966	0.7
119.08549	3.2
119.40287	0.6
121.10120	39.6
121.10983	1.5
123.08044	0.7
123.11686	53.9
125.13338	0.8
127.03899	17.0
137.13197	1.4
145.04942	14.3
149.13240	62.7
155.35085	0.6
160.33035	0.7
161.60504	0.6
163.05971	1.4
167.07042	2.5
167.14282	19.7
168.07373	0.7
173.11763	0.8
251.69261	0.7
286.82901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
54.81947	0.4
55.01864	4.9
55.05489	2.2
57.03421	1.9
57.07061	0.7
61.00018	0.4
61.02909	0.8
66.59514	0.5
67.05500	0.9
69.03407	2.3
69.07048	2.6
70.06583	0.5
71.04975	0.6
75.04451	1.8
77.03923	0.5
79.05476	5.3
81.03395	0.7
81.07029	9.7
83.04940	0.7
83.08599	3.4
85.02895	6.3
91.05457	12.2
93.07021	100.0
95.04939	3.5
95.08585	3.1
97.02871	1.0
97.06532	0.7
98.06035	1.6
105.04527	0.5
105.07010	3.3
107.08576	45.5
109.06527	2.0
111.08065	63.3
112.32454	0.5
121.06437	0.4
121.10126	19.6
123.04472	0.6
123.08029	3.5
123.11685	2.1
125.09595	2.1
127.03924	0.8
131.08522	0.8
131.11847	0.4
136.06177	4.5
139.11147	8.2
145.04872	0.6
149.09584	8.4
149.13284	1.8
167.06955	4.2
167.10637	26.7
168.07361	3.7
168.08640	0.5
185.11699	27.2
240.74348	0.4
314.32126	0.4
364.19556	0.6
365.11963	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	364.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	11.9
55.05488	6.6
57.03410	2.0
60.04496	1.2
67.05480	4.9
69.03403	5.9
69.07050	21.5
71.04971	27.1
79.05476	13.2
81.03379	1.6
81.07043	8.2
83.04951	4.1
85.02890	15.4
85.06505	4.6
85.33735	1.0
87.04450	32.9
87.26472	1.2
91.05455	4.6
92.08894	3.5
93.06427	1.0
93.07018	29.4
95.04942	1.3
95.08571	18.7
97.02885	4.6
97.06509	75.6
99.04424	1.5
104.98388	0.9
105.07007	6.0
107.08578	46.7
107.22668	1.0
109.06479	1.1
109.10124	1.9
111.08047	1.0
113.05982	29.3
115.03919	11.7
121.10110	61.7
123.08002	4.3
123.11653	2.1
125.05977	2.1
125.09578	14.7
127.86974	1.3
129.07106	1.0
131.08488	3.3
139.11153	100.0
139.74365	0.9
149.09596	21.2
149.13234	8.1
167.10643	89.3
172.22879	0.9
185.11687	26.5
201.53009	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62956	0.4
53.03930	2.3
55.01856	0.6
55.05494	2.8
57.03427	7.1
57.07059	0.6
59.04992	1.1
61.02908	1.2
67.05483	3.1
69.03421	5.0
69.07040	2.0
71.04976	0.7
73.90254	0.4
75.04461	11.4
79.05475	10.6
81.03392	1.1
81.07037	11.6
83.04965	2.7
85.02886	18.8
85.06535	3.5
86.41024	0.5
87.04454	1.9
91.05463	9.9
92.08701	1.0
92.09239	1.6
93.07021	100.0
95.04940	4.1
95.08574	7.2
97.02862	3.9
97.06517	3.2
99.04443	0.9
102.83713	0.5
105.03370	1.0
105.04482	0.8
105.07012	8.1
106.07878	0.5
107.08578	12.0
109.02843	1.2
109.06540	0.7
109.10155	1.2
111.04437	2.6
111.08060	14.7
119.08539	3.5
121.06467	4.5
121.10119	88.1
123.08028	2.9
123.11694	3.5
125.05962	3.8
127.03911	2.6
127.05681	0.5
131.08546	3.4
133.07587	0.7
135.08035	0.6
139.11159	11.0
145.05002	2.1
149.09595	13.8
149.13194	0.8
161.09689	0.6
163.06030	0.7
165.05316	0.6
167.07053	0.9
167.10641	36.1
168.07307	0.7
168.10973	0.6
185.11656	3.7
227.67976	0.5
311.14740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
66.21055	0.1
69.64869	0.1
70.56336	0.1
78.04695	1.8
79.05456	0.9
81.07050	0.3
83.04953	0.3
85.02876	0.7
91.05428	0.2
92.09142	0.2
93.07028	0.2
95.04944	0.7
96.05720	0.3
104.09583	0.2
105.03366	0.2
106.04153	1.4
107.04919	0.7
107.08549	0.4
109.02838	0.2
109.06496	0.3
121.10173	0.2
122.03652	0.2
123.04396	5.4
124.05177	2.1
134.03616	0.6
135.04358	0.2
137.05919	0.6
149.09601	0.3
151.03857	1.6
152.04680	1.9
152.70953	0.1
167.06999	100.0
168.07355	0.3
185.11671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39254	0.6
53.03930	1.2
53.54073	0.5
55.01869	6.3
55.05503	7.3
57.03442	4.9
60.04530	0.8
61.02914	0.9
61.39656	0.6
67.05488	11.9
69.03418	7.3
69.07053	17.6
70.13196	0.5
71.04974	6.4
73.02895	1.2
79.05476	27.6
81.03403	4.6
81.07039	35.0
83.04967	5.9
83.08617	0.7
85.02892	14.0
85.06522	3.0
91.05450	9.6
92.09267	1.5
93.03332	0.7
93.07023	50.8
95.01304	3.7
95.04949	4.4
95.08583	7.7
97.02898	6.0
97.06502	3.3
97.99304	0.6
99.04426	7.6
105.03412	1.2
105.07014	11.7
107.04948	12.3
107.08576	22.3
109.02859	1.5
109.06483	1.6
110.31724	0.6
111.04436	5.9
113.02361	8.8
116.06225	0.7
119.08524	2.7
121.06487	4.0
121.10118	50.7
123.08036	4.4
123.11678	3.0
125.05965	4.0
125.09570	1.3
127.03874	3.1
129.06921	0.8
131.08545	52.7
139.11148	6.0
145.04973	0.7
149.09598	100.0
167.09575	0.9
167.10641	34.6
185.11699	97.6
191.54269	0.7
199.08650	0.8
199.91783	0.8
205.49313	0.7
239.05473	0.9
245.09267	1.3
263.10233	0.9
320.64929	0.8
365.13336	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
55.01857	2.0
56.96560	0.4
57.03426	2.6
61.02914	2.6
61.18486	0.3
68.99749	0.3
69.03413	6.2
71.04977	0.5
73.02908	0.7
79.05467	4.2
81.03391	2.9
83.04962	0.3
85.02885	20.0
86.09685	0.5
87.04445	0.4
91.03900	0.5
91.05465	4.6
92.08766	0.4
93.07012	8.1
95.04951	3.2
96.04482	0.3
97.02858	5.3
98.97552	0.3
99.04391	1.1
103.05446	8.1
105.04472	0.5
107.04933	100.0
109.02846	1.6
111.04449	0.4
117.43907	0.3
119.04910	0.5
121.06477	40.0
123.04401	1.6
127.03892	4.8
131.04872	1.3
133.06419	0.7
135.04401	5.4
137.05920	0.6
139.03856	1.2
141.31973	0.3
145.04913	2.2
149.05951	65.3
161.05931	0.4
167.06996	21.3
167.08418	0.7
281.09988	3.0
288.93057	0.4
373.02039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.2
57.03428	0.4
61.02908	0.5
69.03404	1.3
78.04684	1.8
79.05453	1.1
81.03387	0.8
81.07035	0.3
84.78883	0.2
85.02892	4.6
85.68250	0.2
92.09152	0.3
95.04921	0.8
97.02846	1.0
101.27108	0.2
106.04158	1.2
107.04948	0.3
109.02850	0.5
123.04404	7.5
124.05193	2.2
127.03885	0.3
134.03648	0.4
140.04663	1.1
141.62868	0.2
151.03888	1.2
152.04671	2.2
155.06999	1.1
167.07002	100.0
170.05698	0.5
180.08559	0.3
185.08090	0.4
269.93655	0.2
358.44717	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39829	14.6
57.06643	12.9
64.25120	14.9
71.62894	15.0
73.13882	19.3
79.04982	14.3
110.78320	18.9
119.62164	18.4
123.08036	100.0
131.85361	17.8
250.36066	17.3
261.63467	16.9
363.28870	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.4
56.58374	1.2
57.07063	3.0
67.05490	10.1
69.07053	18.6
71.04939	1.5
76.56188	1.3
79.05464	6.4
81.06578	2.2
81.07034	19.8
83.08600	5.3
85.06548	1.5
89.05990	2.7
91.05463	5.4
92.08685	2.1
92.09200	3.0
93.07023	8.8
95.08582	14.9
97.10191	1.6
105.07017	5.6
107.08580	9.2
109.06506	15.9
109.10143	7.3
113.52650	1.5
114.74774	1.4
119.08569	9.5
121.10117	8.3
123.08047	96.5
123.11613	2.3
133.10121	3.3
135.08015	11.3
137.09633	6.0
137.73219	1.6
145.10117	3.4
147.11685	1.6
149.13219	1.7
151.11226	1.9
157.79390	1.4
178.67487	1.5
179.14262	19.1
203.98816	1.4
219.98834	1.4
245.18324	1.4
295.22668	2.4
307.22668	11.4
331.26392	2.7
349.79102	1.8
363.28870	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	362.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.0
55.01864	1.3
55.05504	11.4
56.96553	1.0
57.07065	10.8
58.06583	1.0
67.05491	23.9
69.07053	4.8
70.06572	22.6
71.04976	38.9
71.08604	11.6
72.08127	0.7
75.61015	0.7
76.49976	0.9
79.05470	5.2
81.03375	1.3
81.06586	1.4
81.07035	21.4
82.25373	0.9
83.08601	7.5
84.08141	1.2
86.09658	1.1
88.07612	19.0
91.05453	3.8
93.07001	6.9
95.04890	1.0
95.08591	6.4
96.08138	1.1
97.06551	1.2
97.10137	9.8
99.08076	3.2
102.09186	1.9
105.06994	2.0
107.08575	6.5
109.10133	14.5
114.09151	12.8
118.08626	1.6
119.08582	1.4
121.10126	1.2
123.11694	1.8
125.09618	7.2
132.10178	36.7
133.10095	3.5
135.11630	1.4
137.05959	2.0
151.11176	1.6
155.10672	1.2
155.14276	11.4
161.13269	1.0
173.11716	17.9
176.12769	6.0
189.11211	4.7
194.13855	6.6
227.16417	3.6
242.24782	1.8
256.26318	8.8
274.27377	4.5
275.88055	1.0
277.21533	7.2
285.49783	0.8
318.29922	3.4
362.32568	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	362.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.5
55.05505	35.6
56.96544	3.8
57.03431	3.9
57.07060	15.9
59.04972	2.6
61.93877	2.0
65.22585	1.9
67.05139	4.5
67.05488	95.1
68.63747	2.1
69.07047	15.8
70.06582	28.6
71.04972	100.0
71.08610	23.1
79.05474	23.1
81.07034	63.9
83.04956	5.0
83.08605	20.9
85.06516	3.1
88.07589	22.0
91.05452	10.2
92.08886	4.2
93.07018	25.6
95.04953	4.4
95.08582	16.8
97.06514	3.2
97.10152	21.5
99.08060	9.4
101.26315	2.0
102.94998	2.1
105.03411	2.8
105.07012	10.1
107.08557	12.2
109.10136	61.1
111.08019	3.2
114.09153	13.0
117.07047	3.6
119.08571	10.6
121.10086	5.6
123.11684	10.2
125.09618	15.6
131.08554	3.6
132.10170	44.0
133.10088	9.6
135.11679	3.7
142.15892	2.4
143.77217	3.0
149.13258	3.9
151.11160	4.1
155.14291	26.7
173.11699	54.6
187.13339	8.4
189.11198	10.0
191.33688	2.5
194.13850	9.1
195.13948	2.5
203.12782	2.7
221.25261	2.4
227.16582	2.5
256.26242	15.9
259.20685	2.4
268.55563	2.3
274.27393	4.8
277.21451	23.5
291.02692	2.4
309.24118	3.0
362.32608	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08025	0.3
52.09827	0.3
54.43559	0.2
55.01848	1.2
57.03418	0.6
60.04511	0.5
61.02908	0.3
67.05458	0.3
69.03407	0.7
70.06561	0.5
72.04485	0.4
79.05479	3.9
81.03394	0.4
81.07030	0.6
85.02903	4.0
86.09686	0.5
91.05451	1.4
92.08950	0.4
93.07019	0.7
95.04932	1.5
95.08547	0.5
97.02869	0.6
103.05423	2.0
105.03382	2.5
105.07010	41.2
107.04884	0.4
107.08498	0.3
109.02888	0.3
109.06470	2.4
109.10139	0.6
119.08582	1.2
121.10109	0.8
122.03632	0.4
123.08010	0.7
123.64533	0.4
124.05180	1.7
127.03859	0.4
133.05423	0.7
133.06467	43.2
137.05952	50.9
137.09601	1.4
147.08018	0.4
150.06693	1.2
151.07477	0.7
165.09077	100.0
180.08667	0.3
183.10106	3.0
184.10231	0.3
209.67961	0.4
252.96695	0.3
338.02899	0.3
347.31555	0.4
362.09195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01859	3.3
55.08404	0.4
57.03415	2.7
60.97257	0.4
61.02911	4.9
61.24638	0.5
62.22192	0.5
65.25227	0.4
67.05494	0.7
67.77989	0.5
67.86847	0.4
69.03415	8.8
71.04988	1.7
73.02898	2.0
79.05458	1.0
81.03386	5.0
81.07042	0.7
85.02888	31.5
86.09688	0.6
87.04420	0.8
91.03919	1.2
91.05460	2.0
92.09116	0.9
95.04944	2.4
97.02863	12.6
99.04416	2.3
103.05442	1.1
105.03368	5.1
105.07005	22.6
107.04919	2.5
109.02851	2.2
109.06506	0.9
109.10233	0.4
119.04956	0.4
119.08514	0.8
121.06427	0.6
122.03637	0.9
122.96848	0.5
123.04394	16.6
127.03882	5.0
128.44351	0.4
133.06459	40.7
137.05949	100.0
139.03897	0.9
145.04927	4.9
147.08086	0.8
165.05435	5.9
165.09070	29.3
165.10468	1.0
167.06960	1.1
180.08615	1.0
183.06516	2.0
183.10123	26.4
199.08624	0.5
200.03922	0.9
200.08995	2.2
327.10516	0.6
362.18597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90087	0.4
53.03929	0.9
55.01859	2.1
56.16996	0.4
57.03419	2.1
61.02908	3.4
65.93690	0.4
69.03416	9.4
71.04955	1.0
71.86987	0.4
72.40471	0.5
73.02874	1.8
79.05461	2.4
79.45786	0.4
81.03400	5.7
85.02894	31.1
87.04453	0.5
88.55305	0.4
91.03951	1.6
91.05437	2.0
92.09064	1.6
92.50852	0.5
93.07030	0.7
95.04927	2.1
95.08577	1.8
97.02871	9.7
99.04416	2.0
103.05434	1.0
105.03391	0.5
105.07013	30.2
107.04919	0.5
107.08578	2.2
109.02847	2.7
109.06499	2.2
111.04418	0.5
119.08578	3.9
121.01962	0.8
121.02840	25.8
123.08003	1.1
124.05141	1.1
127.03860	4.6
133.06470	39.0
135.08060	0.5
137.05962	42.4
137.09567	2.1
139.03879	4.0
143.82953	0.4
145.04953	3.6
147.08060	1.1
153.09105	2.2
163.03946	0.6
165.09077	100.0
178.40514	0.4
180.08649	1.8
183.10155	3.7
199.62233	0.5
207.10184	0.5
216.19229	0.5
265.06995	2.3
283.08081	3.3
287.45667	0.5
291.12137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.7
55.01860	2.1
55.05514	0.6
57.03415	2.3
61.02910	3.9
67.05485	1.1
67.46980	0.5
69.03137	0.5
69.03419	8.0
71.05000	0.6
72.85413	0.5
73.02879	1.3
79.05466	3.0
81.03393	4.3
81.07023	0.8
85.02883	26.3
86.09690	0.7
91.03921	0.8
91.05447	2.8
93.07024	4.1
95.04957	1.0
95.08585	11.9
97.02868	8.2
99.04416	0.9
103.05446	1.0
105.07008	35.9
107.08565	2.5
109.02861	2.3
109.06501	3.3
109.10143	4.7
117.06947	1.0
119.08581	6.8
121.06496	0.8
121.10098	2.9
123.08028	3.4
124.05183	2.3
127.03884	3.1
129.06932	1.0
131.04871	0.7
133.06468	40.5
134.28400	0.6
137.05951	49.6
137.09586	13.6
139.07500	2.7
145.05008	4.6
145.06444	3.5
145.17830	0.6
147.08015	2.5
151.07539	0.9
153.09106	0.8
157.06421	1.1
165.09077	100.0
177.09033	3.0
180.08591	1.1
183.10117	19.8
189.09085	3.9
193.08611	0.8
200.12796	0.7
201.99367	0.6
207.10146	1.1
231.10004	0.6
245.11368	0.5
259.42807	0.5
273.11047	0.6
291.12222	1.1
344.30502	0.6
362.18021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
52.41437	0.3
53.03942	3.1
55.01872	0.7
55.05497	0.4
57.03426	0.5
60.04524	0.3
61.02920	0.4
67.05485	1.9
69.03412	3.4
70.03293	0.3
70.06567	0.5
71.04977	0.5
71.73804	0.3
77.03916	0.6
79.05469	1.5
80.78207	0.3
81.03394	2.9
81.07030	0.4
83.01334	0.6
83.04961	1.8
85.02895	4.8
85.12847	0.3
86.09679	0.6
91.05450	1.5
95.04949	10.7
95.08581	0.8
97.02872	9.5
99.04433	0.8
105.03374	100.0
105.06997	1.9
107.04898	0.4
107.08567	0.7
109.02859	6.1
109.10120	0.6
111.04426	2.1
115.03932	0.5
118.21203	0.3
119.08546	2.0
122.03619	0.6
123.04410	7.7
123.08069	0.7
125.02299	0.7
127.03903	2.4
133.06479	1.2
137.06004	2.5
137.09589	1.2
139.03883	9.6
141.05449	0.4
147.08044	0.6
151.03880	5.4
157.10109	0.3
160.88025	0.3
165.09074	5.4
167.07030	1.7
169.04926	11.6
182.60184	0.3
183.10149	2.5
193.08507	0.4
200.12825	1.0
273.07663	0.7
275.41153	0.3
291.08679	1.4
309.09570	0.8
327.10663	19.2
362.08853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
51.26376	0.2
53.03934	2.9
55.01860	1.3
55.05499	0.4
57.03423	0.9
61.02904	0.6
62.09825	0.2
63.30363	0.2
65.03920	0.4
67.05493	2.3
67.91827	0.2
69.03419	3.1
69.07048	0.3
70.06577	0.4
71.04980	0.6
73.02888	0.9
73.98915	0.2
77.03946	0.3
79.05471	1.4
81.03399	3.3
81.07037	0.3
83.01343	0.3
83.04953	1.6
85.02886	5.1
86.09689	0.4
87.04453	0.3
91.05460	1.2
92.08791	0.5
92.09297	0.3
93.03333	0.3
93.07024	0.6
95.04942	10.7
95.08559	0.5
97.02867	10.2
97.06531	0.3
99.04425	1.7
104.10704	0.2
105.03372	100.0
105.06992	2.1
107.04986	0.3
107.08560	1.2
109.02863	7.6
109.10150	1.2
111.04429	1.3
115.03929	0.4
119.04926	0.3
119.08543	2.5
121.02843	4.1
122.03646	1.0
123.04398	7.7
123.08038	0.4
125.02322	0.4
125.05900	0.2
127.03868	2.1
133.06494	1.1
137.05968	1.9
137.09630	1.0
139.03873	9.7
141.05420	0.3
145.04944	0.4
145.06526	0.3
147.04378	0.5
151.03880	6.3
153.09082	0.9
163.03915	0.4
165.05408	0.3
165.09081	6.7
167.07072	1.3
169.04926	11.4
176.44447	0.2
183.06497	0.2
183.10109	2.3
187.05991	0.4
191.07048	0.3
195.06543	0.4
200.12843	1.2
207.10086	0.3
223.09618	0.4
265.06857	0.3
273.07513	1.9
283.08096	0.4
291.08627	1.8
291.11996	0.6
309.09607	0.9
325.41916	0.3
327.10666	19.7
362.09161	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
54.82149	2.5
55.01852	5.4
55.05497	11.3
57.03417	2.4
67.05488	6.1
69.03402	10.3
69.07043	6.1
73.52203	2.2
77.16258	2.2
77.99081	2.4
78.04672	2.6
79.05473	31.1
81.03370	4.2
81.07026	18.3
85.02891	11.0
85.06484	3.7
86.09684	3.5
91.05450	57.4
92.08732	3.8
92.09218	4.2
93.07010	30.1
93.91000	2.1
95.04939	26.8
95.08578	6.2
95.54339	2.6
97.02846	3.5
97.06509	3.1
103.05452	23.8
105.03408	3.2
105.04510	3.4
105.07007	30.4
107.04938	66.5
107.08572	16.9
109.02902	3.1
109.06508	3.9
109.10142	3.9
115.05415	3.1
117.07002	12.8
119.04906	14.9
119.08544	10.6
120.05696	3.9
121.06480	44.7
121.10116	10.0
123.04404	16.3
123.08011	2.8
124.05202	5.8
125.09579	3.9
128.06203	20.8
129.06981	56.4
131.04895	19.3
131.08542	25.2
133.06506	7.9
134.03609	2.7
135.04408	3.2
135.08020	18.8
135.11656	3.2
137.05968	39.7
137.09572	3.7
138.06737	3.2
139.07518	4.0
141.06953	3.5
143.04845	3.8
145.06451	15.2
145.10101	12.0
146.07254	10.4
146.10458	3.5
147.04402	12.7
147.08022	3.6
148.05170	9.9
149.05959	15.8
151.03882	5.4
151.07523	19.3
152.04692	5.6
153.05438	21.3
154.24030	2.7
157.06453	29.1
159.07933	3.5
161.05942	100.0
161.09589	32.7
163.07513	31.7
163.11148	13.0
163.14745	4.9
164.11449	10.2
165.06949	21.3
165.09082	11.4
166.06226	20.5
166.07573	7.0
167.07021	84.4
167.08498	14.6
169.10146	2.9
174.06737	25.9
175.07480	11.1
177.06906	3.9
177.09094	11.5
178.07750	4.9
179.07098	3.7
179.08569	9.8
181.04988	4.5
181.06453	11.3
181.08540	86.3
182.07269	16.5
183.07977	4.7
187.07445	3.6
189.09045	88.2
190.07758	3.4
191.08461	4.8
193.06453	11.1
194.07211	13.6
195.08041	25.6
197.05928	5.6
197.09575	20.1
199.07419	3.2
199.13232	4.0
203.74461	2.5
205.10048	3.3
207.08133	8.4
207.10149	21.3
208.08832	13.1
210.06738	15.0
211.07477	12.1
212.08260	5.1
218.07147	3.1
219.08028	18.4
219.09921	2.9
221.05856	10.1
222.06837	10.3
223.07533	19.9
223.11073	4.9
224.08295	5.5
225.05447	5.6
225.09050	29.1
227.07011	14.9
235.07503	12.5
236.08330	10.1
237.09038	11.1
239.06963	6.1
239.10628	3.3
240.07710	15.5
241.08559	5.7
242.09340	3.8
251.07014	6.2
251.10564	16.3
252.07784	4.2
253.08636	20.8
255.06461	5.8
255.10049	13.1
257.07913	2.9
257.11588	18.1
265.08401	4.1
269.07883	5.3
270.08759	4.4
279.10117	4.0
283.09558	21.0
283.13110	12.2
285.07855	4.3
285.11127	32.2
296.10373	4.3
299.09125	5.7
300.10254	3.4
302.11414	5.3
311.12772	9.0
315.12119	19.7
317.13882	24.4
329.13925	3.3
341.51126	3.0
343.15411	12.1
361.12363	3.2
361.16422	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98101	1.8
53.03920	5.2
55.01850	4.9
55.05496	4.9
57.03424	3.0
58.54088	2.1
58.61061	1.9
61.02918	2.4
64.63650	2.1
65.03928	2.3
67.05485	5.5
67.54396	1.9
67.99854	1.9
69.03410	9.6
69.07044	8.7
71.04971	2.8
73.84406	2.0
79.05477	33.9
80.81314	2.0
81.03409	5.0
81.07037	14.5
83.04948	2.8
83.08606	4.5
85.02869	15.4
85.10586	2.6
91.05466	47.2
92.08611	3.7
92.09154	11.1
93.07018	24.3
95.04932	20.4
95.08572	2.7
96.25228	2.1
97.02882	5.3
103.05433	21.6
105.03365	41.1
105.04469	4.0
105.07000	25.6
106.03687	10.8
107.04943	57.1
107.08598	8.8
109.02844	2.8
109.06470	3.4
109.10125	2.7
115.05448	4.8
117.07005	12.7
119.04893	14.8
120.05711	4.6
121.06493	34.1
121.10090	4.1
122.03593	3.9
123.04415	23.7
125.05983	3.5
125.09595	3.0
127.03867	3.9
128.06189	17.4
129.06982	54.8
131.04901	20.5
131.08562	22.6
133.02771	4.4
133.06471	9.0
133.10020	3.2
135.04382	5.3
135.08028	12.4
137.05939	30.4
138.06732	2.8
140.04715	3.1
141.06981	3.4
143.04854	3.5
145.06477	14.8
147.04398	8.4
147.08014	3.6
148.05164	10.2
149.05974	14.0
151.03893	5.5
151.07527	27.2
152.04623	10.2
152.06235	4.2
153.05391	18.4
156.05626	2.7
157.06491	32.3
158.25412	2.2
159.08015	2.3
161.05942	51.1
161.09541	15.6
162.06776	2.2
163.07506	26.7
163.14798	11.0
165.05724	2.0
165.06914	20.0
165.09084	14.4
166.06218	20.2
166.07587	4.6
167.07025	100.0
167.08490	14.6
169.06435	3.7
174.06744	24.3
175.07469	9.5
177.07025	3.5
177.09082	11.2
178.07657	3.2
179.06955	3.2
179.08368	6.4
180.05719	2.6
181.05026	3.5
181.06499	8.5
181.08560	98.7
181.10136	4.0
182.07211	15.9
183.08018	2.7
189.09059	79.0
190.07748	4.7
191.06853	3.4
191.08516	11.9
193.06442	5.5
194.07207	11.8
195.07999	29.3
196.08769	2.9
197.05933	4.0
197.09586	20.3
199.07466	3.7
199.16972	10.6
205.10374	2.7
205.12318	2.4
207.08009	11.5
207.10117	12.0
208.05099	3.3
208.08788	11.4
209.05952	4.0
210.06726	5.2
211.07527	11.6
212.08334	3.7
219.08086	9.5
221.05980	12.3
222.06718	11.2
223.07567	19.8
223.11154	11.4
224.08217	3.0
225.05539	3.0
225.09061	27.8
227.06975	12.9
229.12260	2.9
235.07454	9.4
236.08235	5.3
237.09010	2.9
238.06288	2.4
239.07019	11.0
239.10524	4.2
240.07756	11.7
241.08638	4.3
242.09358	4.6
247.07413	3.2
251.06970	5.3
251.10680	10.8
253.08557	19.7
255.10117	10.4
257.11624	27.1
265.08514	5.1
269.08133	2.8
270.08786	10.1
271.13095	3.5
279.10016	11.8
283.09613	27.5
283.13229	17.9
285.07849	4.2
285.11169	40.6
296.10266	2.7
297.11053	3.6
299.09253	3.1
299.12494	3.9
302.11346	3.5
311.12579	10.5
315.12228	17.0
317.13809	30.0
331.15076	4.5
343.15314	18.3
361.16418	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	361.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.8
53.72517	1.8
64.93299	2.1
65.03908	2.3
67.05489	2.6
69.81390	2.3
71.04968	2.5
78.04694	3.7
79.05480	27.6
81.07043	15.3
83.04936	4.1
85.02852	3.5
85.06512	2.7
91.05457	46.4
92.08788	5.4
92.09297	3.9
93.07017	24.7
95.04952	17.0
95.08588	5.5
103.05452	22.7
105.03360	3.6
105.04459	2.9
105.07024	24.6
107.04232	2.9
107.04939	56.2
107.08560	3.3
109.06532	4.7
109.10142	4.5
115.05442	4.2
116.09490	2.4
117.06975	9.8
119.04899	11.3
119.08570	4.6
120.05685	3.9
121.06483	38.6
121.10075	2.5
123.04402	9.7
123.08019	2.8
123.11643	2.4
124.05167	11.5
128.06177	16.7
129.06985	46.4
131.04912	16.3
131.08560	21.5
133.02797	5.6
133.06465	9.5
135.04433	3.7
135.08037	12.5
137.05962	25.4
138.03101	3.4
145.06438	14.9
146.07263	4.8
147.04390	10.5
148.05115	2.8
149.05997	4.4
150.06699	3.2
151.03886	9.6
151.07498	26.2
152.04701	10.4
152.06129	3.4
153.05406	16.5
154.07738	3.3
155.05952	3.2
155.08517	2.1
157.06459	31.4
159.08069	2.6
161.05951	45.9
161.09561	12.0
163.07504	21.6
165.05609	3.9
165.06898	22.4
165.09120	12.4
166.06227	21.2
166.07610	4.5
167.07033	100.0
167.08514	12.6
169.06392	2.5
174.06779	19.4
175.07503	11.9
177.06955	5.1
177.09146	4.5
178.07828	3.0
179.06984	3.5
179.08525	10.4
181.06546	5.1
181.08565	77.8
181.10146	3.3
182.07251	11.3
183.07997	4.6
189.09059	66.8
190.07697	3.4
191.08531	5.1
193.06448	10.3
194.07239	10.5
195.08008	16.3
196.08743	3.0
197.05885	3.4
197.09642	20.2
199.07553	3.6
205.10167	2.8
207.08128	7.7
207.10089	5.5
207.62587	3.2
208.08775	10.1
209.06033	4.6
210.06744	9.8
211.07559	10.3
212.08289	3.3
219.08009	10.5
221.05980	14.6
222.06735	8.7
223.07478	16.4
223.11171	3.1
224.08229	2.9
225.05432	4.4
225.09082	30.7
226.56929	2.4
227.07021	12.5
229.12280	3.7
234.23141	2.7
235.07439	3.0
236.08279	10.0
237.08957	8.9
239.07002	12.5
239.10559	3.5
240.07777	9.0
241.08620	5.0
247.07507	3.7
247.48494	2.5
251.06866	2.9
251.10680	5.4
253.08505	16.8
255.06500	10.1
255.10059	9.5
257.11700	23.8
267.09985	3.6
268.07150	3.2
270.08734	5.8
283.09723	16.2
283.13293	13.2
285.08066	3.8
285.11160	22.8
299.09314	3.3
299.12570	2.5
302.11411	3.6
311.12634	3.3
315.12119	12.6
317.13712	23.3
329.13553	2.9
343.15326	9.9
361.16348	12.7
364.89301	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	361.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37386	0.3
52.95974	0.3
53.03927	1.4
55.01855	2.4
55.05504	0.7
55.25967	0.3
57.03421	0.7
58.99581	0.5
61.02900	1.2
66.84794	0.4
67.05478	2.3
69.03405	4.1
69.04855	0.3
73.02881	0.6
79.05473	11.1
81.03389	2.3
81.07030	4.1
83.04948	0.9
84.08112	0.5
85.02886	7.5
85.06516	0.4
86.03223	0.4
86.09676	0.7
91.05450	7.8
92.64675	0.4
93.07018	21.2
95.04942	4.1
95.08575	1.5
97.02881	2.9
97.06501	2.6
98.97572	0.3
103.05444	1.7
105.03382	2.8
105.07003	0.7
107.04930	2.1
109.02837	0.7
109.06496	1.4
111.04414	1.4
111.08058	2.2
116.01637	0.9
119.04974	0.4
121.06480	28.1
123.00739	0.5
123.04410	0.7
123.08035	9.6
127.03889	1.6
135.04399	0.6
137.05005	0.5
137.05949	15.8
138.00032	1.3
139.07504	20.5
140.01659	0.3
145.04950	0.8
149.05954	9.1
151.07535	0.8
156.01047	2.5
163.03815	2.5
163.07545	0.6
163.11224	0.5
164.04243	0.4
165.08977	0.6
167.06996	100.0
175.07620	0.3
177.45972	0.3
181.08536	0.9
181.12149	0.6
185.08058	1.7
199.09650	19.0
205.01910	0.4
239.16150	0.4
240.03181	1.8
259.03830	3.4
268.02634	1.8
301.04965	0.8
319.28079	0.4
361.14096	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22282	0.4
50.51839	0.4
53.03931	1.0
53.60393	0.4
54.30231	0.3
55.01855	1.1
55.14478	0.4
56.96176	0.4
57.03429	0.5
61.02908	0.8
62.38267	0.4
66.22861	0.4
67.05482	0.9
69.03407	2.2
71.04959	0.5
75.26418	0.4
75.31077	0.5
79.05476	12.4
81.03397	1.1
81.07042	3.5
83.04972	0.6
85.02916	5.7
88.76965	0.4
89.03900	0.6
91.05455	7.2
92.09066	2.0
93.07024	24.3
95.04945	4.9
95.08592	0.5
97.02876	1.7
97.06497	1.9
98.97546	0.5
103.05419	0.8
105.03359	0.9
105.06995	0.6
107.04920	2.0
109.02861	0.4
109.06537	1.6
111.04420	0.6
111.08067	1.0
121.06482	28.5
121.58913	0.4
123.08051	11.2
125.05952	0.6
129.25372	0.5
135.04353	1.1
137.05934	0.5
138.00124	0.6
139.07521	22.0
145.04945	0.7
148.03893	1.9
149.04257	0.9
149.04807	0.6
149.05963	10.1
156.01147	0.9
163.03874	3.9
167.07002	100.0
168.07384	0.7
180.06511	1.2
181.06834	2.3
181.08423	0.5
185.08012	2.3
198.07516	0.5
199.07808	1.0
199.09631	20.0
201.87946	0.5
240.03069	0.6
241.03871	0.7
259.03821	0.8
268.02716	0.9
301.04901	0.5
361.06738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1122
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
52.80656	0.6
53.03934	3.3
55.01860	1.5
57.03421	0.7
58.64899	0.5
58.99573	0.9
61.02904	0.6
65.03922	0.9
66.74004	0.6
67.05498	1.2
69.03404	4.7
70.06599	0.9
71.04947	0.8
72.08135	7.5
74.06043	0.9
76.02199	0.7
78.03436	0.8
79.05476	0.8
81.03390	4.2
81.07051	1.2
84.04484	1.5
84.08126	0.7
85.02907	8.0
86.09688	9.3
88.02185	0.7
92.08678	2.5
92.09296	1.6
95.04945	27.4
96.04474	1.2
97.02885	4.6
99.04454	1.3
101.02328	0.7
105.04514	1.4
106.02895	8.0
107.03222	0.9
107.08582	0.9
109.02853	1.5
110.03694	0.9
110.07114	0.8
111.04411	1.0
115.80115	0.7
116.01669	6.5
121.02852	2.5
123.00784	3.1
123.04395	11.5
123.11483	0.8
124.03929	10.4
125.02326	7.5
125.04261	3.5
127.03892	3.9
131.01857	0.9
137.05959	0.9
138.00056	3.8
139.03856	1.3
140.01688	2.3
140.04660	100.0
145.04930	0.7
151.62747	0.6
152.01657	1.1
153.05399	0.7
154.03181	0.8
155.01869	0.9
155.07008	22.3
156.01131	7.9
163.03897	1.1
163.78180	0.6
164.03378	0.8
167.03336	1.6
173.02898	1.3
173.08051	2.9
180.01108	1.0
181.04912	6.8
185.11847	0.8
185.16583	0.8
194.02478	0.9
198.02173	1.4
199.05989	26.2
203.03973	1.4
213.03294	1.0
221.05045	15.6
227.01526	0.7
227.79204	0.8
240.03241	7.0
241.02782	1.1
251.07347	1.0
259.03763	11.0
268.02634	7.1
268.08078	1.0
269.08365	0.8
301.04935	6.0
301.11105	4.7
317.11975	4.3
319.12189	0.7
361.06866	3.6
361.10306	9.4
361.15131	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	0.7
53.03925	1.4
55.01850	4.4
55.05502	34.3
56.02633	0.7
56.96558	0.7
57.03426	2.8
57.07070	0.9
59.04979	3.5
62.06096	0.6
65.03908	0.9
67.05491	50.5
69.03404	4.3
69.07053	35.3
71.04974	100.0
72.46516	0.6
73.02932	0.7
73.06548	1.3
79.04994	1.0
79.05471	44.2
81.03389	3.0
81.07037	55.3
82.20673	0.6
83.04935	5.6
83.08601	22.0
85.02869	3.4
85.06521	4.3
87.04450	1.0
91.05463	30.1
92.08844	3.2
93.07020	43.6
95.04944	6.0
95.08580	31.9
97.06511	10.2
97.10146	28.0
99.08062	2.8
105.07010	29.1
105.07599	0.7
105.07726	0.8
107.04932	3.3
107.07863	1.3
107.08576	38.7
109.06517	7.2
109.10134	18.9
111.08044	6.4
117.06994	10.0
119.08560	18.5
121.06467	3.2
121.10126	17.9
123.08023	4.2
123.11664	3.6
125.09612	15.3
127.03873	1.2
127.07492	1.2
129.06950	1.0
131.08530	12.0
133.06480	0.8
133.09167	1.1
133.10106	18.4
135.08052	5.1
135.11670	11.9
137.09593	1.7
141.06978	0.8
143.08540	1.3
145.10121	7.5
147.08067	0.7
147.11639	8.1
149.09584	10.5
149.13257	5.4
151.11147	2.7
153.09125	1.1
153.12706	3.7
155.08430	0.9
155.10649	1.4
156.01074	0.7
159.11655	11.9
161.13203	5.3
163.11101	5.2
165.12764	2.9
171.11557	1.0
173.11694	10.7
173.13190	2.2
177.12675	6.2
179.14279	1.2
181.12219	0.8
183.11699	0.9
189.11220	12.4
195.13751	9.1
209.15297	4.4
213.16460	0.9
227.16377	41.6
229.19429	1.0
239.17929	2.9
247.20662	1.4
257.18991	4.7
259.40536	0.7
275.19992	42.0
293.20935	3.1
307.22586	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	360.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.0
53.03950	1.8
55.01865	7.9
55.05504	57.4
56.96558	10.4
57.03413	4.4
57.07064	1.8
59.04987	7.5
65.03935	1.4
67.05492	100.0
69.03408	11.5
69.07053	47.9
71.04974	88.5
71.05376	2.1
73.06531	5.2
74.42042	1.2
78.83806	1.2
79.05473	84.3
81.03408	2.4
81.07039	56.6
83.04960	5.6
83.08603	31.8
83.14965	1.4
85.02886	12.5
85.06532	5.5
87.08097	5.2
91.05457	30.8
92.08944	5.9
93.07023	95.7
95.04956	8.4
95.08582	35.8
97.02878	2.4
97.06505	17.1
97.10147	43.7
99.08099	1.6
105.07017	29.5
107.04974	5.0
107.08579	62.0
109.06516	5.9
109.10142	80.8
111.08047	5.3
117.07005	5.8
118.37933	1.4
119.08568	20.9
121.06472	1.8
121.10123	45.7
123.08071	1.9
123.11677	2.8
125.09604	31.5
127.03903	7.7
131.08546	8.9
133.10097	16.7
135.08051	5.4
135.11685	5.7
137.09615	2.8
145.04974	2.7
145.10106	9.5
147.08044	1.3
147.11639	8.6
149.09581	8.2
151.11163	1.7
153.09152	1.5
153.12732	32.7
155.10631	10.1
159.11705	6.0
161.13226	2.8
163.11160	1.6
173.11708	81.1
173.13120	3.8
175.02814	1.6
177.12849	1.4
179.14360	1.5
182.20543	1.2
185.38605	1.2
189.11150	20.8
189.12706	1.3
190.14304	1.3
227.16351	2.2
239.17973	1.7
257.18927	2.7
275.19971	38.7
293.21085	5.0
317.66559	11.2
373.57248	1.2
373.62860	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	7.0
53.03932	5.9
55.01861	13.2
55.05505	80.0
55.36843	1.3
57.03423	14.8
57.32819	1.3
57.59589	1.2
59.04990	39.8
61.95824	1.3
65.03916	3.4
67.05492	84.1
69.03423	14.6
69.07053	100.0
71.04973	68.1
73.02921	2.2
74.82777	1.6
79.05476	77.1
81.03407	19.6
81.07035	65.8
83.04973	13.3
83.08599	40.0
85.02888	8.2
85.06516	7.8
91.05454	45.0
92.08711	3.5
92.09227	2.2
93.06480	3.1
93.07020	52.0
95.04954	24.3
95.08591	36.7
97.02860	3.3
97.06505	35.1
97.10147	48.9
99.08019	2.4
105.07009	35.0
107.04955	11.6
107.08572	34.7
109.06514	17.1
109.10133	21.1
111.08046	3.5
115.07526	2.8
117.07000	11.5
119.08534	19.2
121.06484	8.7
121.10126	19.7
123.08049	3.0
125.09610	31.9
128.06207	1.7
129.06969	6.4
131.08548	13.9
131.17413	1.6
133.10124	9.3
135.08047	9.5
135.11676	3.3
137.09644	3.3
143.08508	6.8
145.04929	1.4
145.10066	11.3
147.11685	7.2
149.09598	3.7
153.12744	7.2
155.10611	2.0
159.11710	7.0
162.06677	1.6
163.11172	2.6
173.11716	18.3
177.12679	7.1
182.74762	1.8
189.11205	13.6
221.48497	2.2
223.13295	9.4
225.74361	1.6
227.16415	10.1
237.14833	3.6
257.18893	1.8
273.18387	7.8
275.19934	14.1
291.19461	2.7
324.58237	1.7
325.20029	2.7
344.32001	1.9
360.23584	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.2
53.03949	0.4
55.01857	0.2
57.03428	0.8
61.02912	1.3
68.55978	0.2
69.03410	1.6
70.06580	0.2
73.02907	0.4
81.03404	1.1
81.95802	0.3
82.87327	0.2
85.02888	7.0
86.09688	1.2
89.03884	0.4
91.03890	0.2
92.08655	0.2
92.09150	0.7
95.04942	0.3
97.02883	3.0
99.04374	0.2
103.05447	43.2
107.04942	0.3
109.02872	0.4
116.03013	0.2
117.03381	0.5
127.03874	1.1
131.04901	100.0
135.04387	2.8
135.08069	0.3
137.06017	0.7
145.02850	2.2
145.04921	0.9
155.35583	0.2
162.05463	0.4
163.03877	12.7
163.07504	20.7
175.43539	0.2
180.06473	0.8
180.08609	0.3
181.04936	2.6
194.72031	0.2
198.07602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	3.7
53.03937	7.6
53.27968	1.7
55.01851	13.9
55.05503	100.0
57.03428	15.8
57.03673	1.9
59.04725	1.9
59.04990	52.1
59.87894	2.0
62.48186	1.7
65.03918	3.7
67.05492	94.7
69.03416	15.8
69.07053	88.3
71.04602	3.0
71.04975	57.4
73.02897	8.1
79.05468	73.8
81.02983	1.8
81.03405	17.3
81.07034	57.3
83.04952	12.1
83.08604	45.4
85.02872	5.0
85.06507	7.7
91.05456	42.7
92.08743	8.7
92.09335	4.6
93.07016	49.7
95.04934	33.4
95.08576	25.1
97.02841	3.0
97.06500	29.0
97.10146	63.6
104.65182	1.8
105.07013	30.2
105.38165	2.0
107.04937	13.5
107.08575	42.9
109.06508	12.3
109.10129	33.0
111.08102	2.9
115.07536	16.2
117.06956	11.2
119.08580	19.5
121.06472	3.6
121.10103	18.1
125.09602	40.3
127.03857	2.6
129.07034	4.3
131.08516	13.5
133.10100	9.9
135.08057	4.1
135.11670	2.4
137.09581	3.7
145.06453	2.2
145.10110	3.6
147.07919	2.4
147.11667	9.2
149.09589	8.2
153.12717	12.2
155.10655	3.3
159.11700	3.9
163.11182	2.4
169.10214	2.3
173.11703	21.8
173.12958	2.6
189.11200	13.6
194.18724	2.2
200.22034	2.0
223.13249	14.2
237.14743	4.0
239.17778	2.2
273.18491	4.7
275.20029	17.3
291.19391	2.7
325.20099	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	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
57.03427	1.2
59.57778	0.2
59.86664	0.3
61.02916	1.9
64.81331	0.3
69.03413	3.4
73.02887	0.6
79.05470	0.6
81.03403	1.3
84.08131	0.6
85.02895	9.4
85.40763	0.3
86.09685	1.3
89.03906	3.0
91.05456	0.5
92.08817	1.4
92.09363	0.5
93.03393	0.3
95.04987	0.5
97.02866	2.9
102.65861	0.3
105.03322	0.4
107.04935	2.2
107.08601	0.3
109.02894	0.6
111.04403	1.6
111.88510	0.3
117.03359	5.1
117.07022	0.5
120.52181	0.3
127.03902	3.2
135.04398	17.8
139.03867	2.3
145.01683	0.5
145.02837	13.7
145.03957	0.6
145.04872	1.9
145.06450	1.7
147.04385	0.5
149.23433	0.3
163.03879	100.0
180.08592	0.5
181.04932	25.8
209.01593	0.3
221.96602	0.3
227.50307	0.3
243.40808	0.3
343.26501	0.3
359.16913	0.5
360.13364	0.8
360.17218	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.2
53.03717	0.3
53.03942	4.5
55.01869	0.4
55.34361	0.2
57.03425	0.5
61.02913	0.2
69.03414	7.6
71.04964	1.1
73.02898	0.4
77.03902	0.4
79.05479	3.0
81.03400	18.1
81.07040	0.8
85.02887	6.8
85.03368	0.4
85.06554	0.2
86.09689	0.8
92.08699	0.9
92.09319	0.7
93.07018	0.4
95.04954	4.8
95.08546	0.3
97.02877	9.2
99.04447	2.5
105.03374	100.0
105.07006	0.8
106.03703	0.5
107.08576	0.8
108.73272	0.2
109.02859	9.5
109.06513	0.3
117.07024	0.2
119.08587	0.3
121.10132	0.8
123.04401	7.0
124.07585	0.8
127.03885	6.7
127.07578	0.3
129.26045	0.2
138.09099	0.3
139.68620	0.2
145.04951	1.8
145.10123	1.4
153.20685	0.2
163.07431	0.4
163.11165	4.3
172.23476	0.2
180.13759	0.5
197.01057	0.2
197.11671	0.3
198.14874	0.8
249.07529	24.2
267.08572	8.8
333.09293	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
53.36655	0.2
54.82090	0.2
55.01848	0.3
57.03415	0.6
61.02912	0.5
69.03411	2.3
73.02886	0.3
79.05465	0.6
81.03407	0.9
85.02885	5.7
89.03891	3.5
91.05455	0.4
92.08784	0.6
92.09288	0.3
97.02847	1.9
99.04406	0.4
105.03368	0.3
107.04927	2.2
109.02869	0.3
111.04413	0.3
117.03353	6.3
119.04890	0.2
122.97465	0.3
127.03883	1.9
135.04393	18.7
139.03864	0.5
145.01678	0.5
145.02831	15.5
145.04874	1.3
147.04358	0.3
162.73082	0.2
163.03871	100.0
164.04163	0.3
177.05400	0.4
181.04922	26.6
200.76674	0.3
291.02209	0.3
359.16882	0.4
359.26709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1695
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
51.44950	0.3
53.03930	0.5
55.01856	0.6
55.05486	0.5
55.30184	0.3
57.03425	2.4
61.02911	2.8
65.40116	0.3
65.80159	0.3
67.05482	0.6
69.03412	6.9
71.04953	0.7
73.02882	1.7
79.05480	2.9
81.03407	2.7
81.07030	3.1
84.62265	0.3
85.02888	16.6
86.09686	0.4
87.04453	0.6
91.05455	4.4
92.09259	0.7
93.07021	11.5
95.04929	1.6
95.08595	2.7
97.02872	3.7
97.06487	0.6
98.67001	0.3
99.04418	0.8
105.03370	3.9
105.07007	12.3
107.08573	63.4
109.02806	1.4
109.06489	1.9
109.10151	3.2
109.51174	0.4
117.07053	0.5
119.04935	0.5
119.08564	8.4
121.06453	1.6
121.10120	10.4
123.08034	1.2
123.11684	1.9
125.09585	0.6
127.03905	2.8
131.08525	1.5
133.06502	0.5
133.10101	36.2
135.11642	0.6
137.05925	1.5
137.09569	1.5
139.07498	2.1
143.08542	1.6
145.04930	1.6
149.09579	6.6
151.07530	1.8
151.11156	13.1
161.09578	8.7
167.10638	21.3
179.10638	28.3
179.56511	0.3
197.11690	100.0
198.12041	0.5
249.07401	0.6
253.53624	0.4
258.87009	0.4
321.81094	0.4
359.16791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
55.05499	0.5
57.03432	1.3
61.02914	0.8
67.05488	4.7
67.20572	0.6
69.03412	5.5
69.07057	0.6
71.05000	0.8
76.72778	0.6
79.05472	3.5
81.03400	11.8
81.07029	13.4
81.96464	0.6
83.04949	0.6
85.02893	8.2
85.06509	0.5
91.05445	6.4
92.09143	1.3
93.07024	14.0
95.04939	13.1
95.08582	4.6
97.02875	3.2
97.09676	0.5
103.05469	0.9
105.07018	13.2
106.21116	0.6
107.08571	15.6
109.06496	25.5
109.10144	25.5
117.07046	0.7
117.62529	0.5
119.04938	0.7
119.08559	10.2
121.06432	0.9
121.10143	2.4
123.04430	3.6
123.08038	5.1
123.11684	5.2
127.03868	0.8
129.07018	0.6
131.04872	1.0
133.06477	0.7
133.10109	30.6
135.08069	2.3
135.11693	2.8
137.05952	2.7
137.09590	23.8
143.08519	1.9
151.07678	0.6
151.11153	35.2
161.06018	0.6
161.09560	11.0
161.10667	0.7
163.07556	0.6
179.10634	100.0
180.11009	0.6
197.11693	88.9
198.12082	0.8
293.86703	0.7
332.95285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1697
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
50.48473	0.3
53.03924	1.5
55.01852	0.6
55.05486	0.5
56.96532	0.3
57.03414	1.7
58.90356	0.3
59.04979	1.2
61.02910	3.9
65.03901	0.3
67.05485	1.7
69.03069	0.4
69.03413	7.1
69.07061	0.5
70.06570	0.3
71.02155	0.3
71.04964	0.6
73.02875	1.2
79.05472	2.5
81.03393	3.7
81.07030	3.1
83.04975	0.5
84.43015	0.3
85.02886	22.1
85.06527	0.5
87.04475	0.4
91.03937	0.7
91.05449	6.4
92.08840	0.5
92.09319	0.4
93.07017	13.2
94.63931	0.3
95.04941	3.7
95.08582	1.5
97.02870	6.4
99.04417	1.3
105.03370	0.5
105.07011	11.9
107.08571	39.9
107.35209	0.3
109.02836	2.1
109.06487	2.9
109.09017	0.3
109.10132	4.2
111.04387	0.3
119.04917	0.5
119.08554	5.3
120.09343	0.4
121.06470	3.3
121.10147	0.5
123.04400	1.9
123.11623	2.4
127.03876	3.4
128.98643	0.3
131.08542	1.7
133.06453	0.4
133.10100	41.3
135.07993	0.7
135.11661	33.0
137.05968	1.5
137.09612	2.7
143.08539	0.6
145.04942	2.0
146.07265	0.5
146.08704	0.3
151.11157	2.7
161.09576	21.2
179.10625	57.8
197.01306	2.1
197.11690	100.0
198.12064	0.4
215.02269	1.8
359.16718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02452	1.3
51.02378	1.4
51.08364	1.2
53.03928	4.0
55.01854	2.6
55.05524	2.0
57.03423	6.9
59.72996	1.6
61.02911	2.9
67.05467	2.3
69.03419	24.4
69.07061	2.0
71.04953	2.9
73.02929	1.9
73.64838	1.6
78.03436	17.8
79.03764	3.9
79.05476	6.4
81.03397	24.4
81.07040	4.0
82.03736	10.1
85.02890	48.7
85.06519	19.1
86.03213	2.6
86.09666	2.0
91.04004	2.1
91.05466	9.2
92.08932	1.8
93.07015	12.2
95.04945	9.9
95.08600	3.2
96.04469	3.3
97.02863	19.1
97.06499	2.1
99.04395	1.9
105.03371	24.5
105.07006	18.3
106.02904	75.7
107.02537	2.1
107.03233	37.3
107.08583	27.2
109.02859	12.1
109.06573	2.4
109.10162	3.3
119.08582	6.7
121.02852	23.4
123.08039	3.9
124.03930	100.0
125.03445	2.4
125.04278	41.4
127.03928	11.7
133.10098	31.7
135.11690	23.8
137.05972	2.3
137.09534	1.8
137.51918	1.7
139.03894	2.2
145.02846	2.8
146.03188	1.7
148.04764	2.6
149.05099	2.1
161.09575	14.5
161.13211	2.9
178.05847	2.8
179.10635	40.1
179.14209	2.6
197.01160	10.2
197.11694	60.7
197.15414	2.2
213.87143	1.9
215.02223	7.5
218.91583	1.5
233.06239	2.2
250.07181	2.5
251.07379	14.9
268.08188	11.2
269.08432	25.4
289.44089	1.9
311.66647	1.9
318.09296	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	359.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	0.3
53.03940	3.4
54.81485	0.3
55.01855	0.4
56.96549	0.5
57.03430	1.6
61.02905	0.9
67.05460	0.2
69.03418	8.0
69.07050	0.3
71.04973	1.0
77.03906	0.9
79.05474	9.7
81.03403	12.0
81.07030	0.9
84.08123	0.2
85.02891	14.0
85.06526	1.1
86.09694	0.9
92.08592	0.2
92.09094	0.6
95.04945	7.8
97.02863	4.5
97.86264	0.2
99.04438	1.3
105.03375	100.0
105.07009	0.9
106.03727	0.3
107.08562	0.4
109.02868	5.8
109.10145	0.4
119.08579	0.3
123.04407	13.0
127.03902	5.1
128.98593	0.3
133.06482	0.3
133.10089	0.4
134.06841	0.2
137.09537	0.2
145.04944	1.2
149.02319	7.2
163.03860	4.2
168.04820	0.3
173.43980	0.2
179.00140	0.4
179.14357	0.4
181.04945	1.0
188.93350	0.2
197.01216	2.7
215.02243	1.4
228.37589	0.2
231.06485	0.4
249.07553	8.2
267.08591	9.4
267.11490	0.3
367.91803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90281	1.9
54.14668	1.9
57.07025	2.0
65.03931	17.9
67.05502	5.0
69.03398	2.4
79.05485	4.6
81.07049	8.7
82.04184	2.9
85.02887	4.0
88.53622	2.0
88.81655	2.0
91.05473	4.1
92.08725	6.7
92.09308	4.4
93.03381	3.5
93.07021	8.6
95.01295	2.6
95.04929	10.0
97.06452	2.6
105.03413	2.9
105.07009	3.7
107.04948	13.2
110.03664	18.5
111.04418	17.0
115.05415	3.1
119.04894	2.6
119.08570	3.2
121.02834	30.4
125.05955	28.2
129.06995	3.1
131.04900	2.7
135.08099	2.6
138.03111	2.8
144.05740	3.9
145.06517	5.3
147.04379	10.7
147.08063	3.9
149.02318	22.0
152.06221	2.9
153.05461	20.8
153.06989	2.6
159.07997	4.7
161.05916	3.3
161.09610	3.5
162.06743	3.3
165.06969	21.2
166.07704	3.6
167.07149	3.7
167.08553	13.7
169.06544	4.6
171.07953	2.3
174.85876	2.2
177.06876	2.6
178.07762	4.9
179.08566	9.5
180.09332	2.4
181.04912	15.2
181.06485	15.4
182.07248	10.3
183.08046	9.4
184.05202	4.3
184.08769	3.1
185.05966	2.6
187.07484	3.3
188.08333	3.6
189.06847	2.2
191.08601	2.8
193.10107	4.5
194.07268	9.8
195.08028	25.0
197.05966	15.0
197.09631	8.8
198.06737	2.8
199.07407	3.2
202.07721	3.9
203.08609	3.1
204.09377	3.7
205.06512	4.9
206.07283	12.9
207.08054	13.6
209.05948	4.7
209.09517	4.7
210.06764	24.9
210.10391	2.8
211.07539	22.0
212.08311	11.8
213.09053	2.6
219.08043	4.9
220.05298	2.8
221.05890	4.5
221.09560	10.7
222.06718	9.5
222.10277	3.1
223.07489	29.2
223.11127	5.3
224.08282	14.3
225.05486	4.8
225.09070	20.4
227.06984	28.8
227.10556	4.4
231.07950	3.2
234.06790	5.2
235.07539	14.1
235.67455	2.4
236.08296	2.5
237.09085	20.3
238.06183	21.0
238.09738	19.3
239.06975	23.4
239.10640	5.5
240.07719	50.5
241.08469	10.3
248.08316	3.9
249.09085	13.7
251.06920	13.1
251.10608	3.7
252.07770	11.8
253.08527	93.6
253.12134	25.8
254.09274	9.1
255.06483	22.3
255.10162	32.7
257.08078	14.0
265.08527	13.4
266.05859	3.6
266.09341	25.3
267.06503	11.5
267.10126	20.5
268.07300	19.7
269.07898	23.5
270.08783	15.7
279.06543	4.7
279.10101	2.6
281.08035	30.7
281.11646	21.7
282.08948	4.5
283.09659	42.1
284.10370	14.4
285.11224	5.4
294.09003	3.2
295.09555	14.5
297.07504	2.6
298.08350	13.0
298.12030	13.6
299.12671	24.3
300.09940	13.1
309.11133	30.2
310.11923	3.7
313.10638	62.4
313.14319	31.4
326.11285	4.8
327.12189	100.0
328.12976	4.2
331.15268	17.4
341.13876	26.3
359.14832	91.1
361.02316	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	359.1331
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
54.81837	0.5
55.01860	2.0
57.03426	0.7
61.02914	0.9
65.03905	0.8
65.10901	0.5
65.24616	0.5
66.51868	0.4
67.05495	0.6
67.54059	0.5
69.03403	2.7
73.02900	20.8
81.03374	1.0
85.02898	4.2
91.05466	0.9
92.09167	1.0
92.64399	0.5
93.77287	0.4
95.04925	0.6
97.02900	1.2
100.66676	0.5
108.02103	0.5
110.03643	2.7
111.04408	1.2
113.06001	0.7
119.04897	1.0
122.90228	0.5
125.05964	18.6
125.94357	0.5
127.03896	0.5
127.99189	0.5
137.05939	0.7
141.05453	2.0
145.69614	0.5
149.05939	2.8
151.03882	100.0
151.04926	4.7
151.07527	3.3
154.26077	0.5
164.59462	0.5
178.32518	0.6
179.06992	20.0
184.54555	0.5
197.08049	40.4
225.83035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1333
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
52.70068	0.2
55.01849	1.7
55.05508	0.4
64.80955	0.3
65.03914	1.2
67.05475	0.7
69.03400	0.7
70.47020	0.3
72.08141	4.0
73.02486	0.7
73.02900	19.5
81.03345	0.3
84.08125	4.0
85.02898	2.1
85.17078	0.3
86.09678	2.6
87.57867	0.3
91.05470	2.2
92.08903	1.7
92.09438	0.3
95.04931	0.5
95.08550	0.4
107.04900	0.3
107.07025	0.4
109.02876	0.3
110.03637	1.8
111.04411	2.8
113.03434	0.4
119.04922	1.4
125.05968	18.6
129.10214	2.2
133.22824	0.3
137.05975	1.8
141.05447	1.9
147.04388	1.4
149.05983	3.0
151.03886	100.0
151.04941	5.4
151.07446	3.6
162.05542	0.4
163.03902	0.5
179.05402	0.8
179.06993	20.5
180.06480	0.4
197.08055	36.1
207.05125	0.3
229.25105	0.3
321.54181	0.3
359.13022	7.2
359.16843	1.4
359.26337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13645	0.1
51.02364	0.2
53.03941	3.8
53.47471	0.1
54.58775	0.2
55.60847	0.2
56.96548	0.8
57.03434	1.7
61.02899	0.7
64.61163	0.2
67.05482	0.4
69.03419	9.0
69.07053	0.4
71.04978	0.8
73.77193	0.1
75.04481	0.2
76.76857	0.2
77.03909	0.9
78.47376	0.2
79.05476	9.7
81.03403	10.6
81.07031	0.3
85.02892	13.2
85.06533	0.9
86.09696	0.5
91.05430	0.2
92.09029	1.0
93.07034	0.4
95.04954	6.5
97.02872	4.8
99.04422	1.5
99.08088	0.3
105.03377	100.0
105.04528	2.4
105.07016	1.1
107.08546	0.3
108.81423	0.2
109.02858	4.9
109.10159	0.3
111.08075	0.3
112.60621	0.2
119.08557	0.4
123.04411	12.9
127.03888	5.1
128.98592	0.3
133.02888	0.2
133.06494	0.4
133.10121	0.3
134.28032	0.2
145.04961	0.9
146.99599	0.2
148.04727	0.2
149.02338	5.6
163.03864	4.5
165.05484	0.2
168.04688	0.3
179.00150	0.4
179.14227	0.2
181.04951	1.2
196.99443	0.3
197.01164	2.9
210.44191	0.2
215.02229	2.5
231.06473	0.4
249.07547	7.7
267.08575	10.5
348.76559	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24026	0.8
51.49853	0.8
55.01857	4.8
55.05489	6.1
57.07048	1.9
67.05490	5.7
69.07046	8.3
70.06573	2.2
79.05469	4.2
81.07040	25.9
83.08607	1.7
88.07613	2.6
91.05476	1.6
92.08852	1.3
93.07020	5.5
95.08584	6.4
107.08592	4.9
109.06487	8.4
109.10126	2.1
111.04427	12.3
119.08580	1.7
121.10084	1.8
125.05959	4.9
133.10130	2.2
135.08049	1.2
135.11629	1.6
137.05959	100.0
137.13208	1.4
145.10118	1.1
147.11653	2.4
149.09579	4.1
149.13167	1.0
150.96861	2.0
151.07498	1.3
161.09613	4.5
161.13219	1.5
171.11702	2.0
175.11125	2.2
189.12752	1.5
203.17929	2.1
231.17374	6.8
249.18474	2.0
250.89371	18.5
251.89546	1.3
263.15393	1.1
274.89337	4.5
277.17929	44.0
295.19116	10.7
309.20508	5.7
316.90320	2.3
357.35544	10.4
358.36133	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01848	3.2
55.05496	10.5
55.40789	1.3
57.03428	14.0
67.05490	32.7
69.06707	2.2
69.07053	35.7
70.78220	1.4
71.04990	11.3
71.05331	1.2
73.06537	2.0
76.92913	1.4
79.05479	36.1
81.03400	13.8
81.07038	30.2
83.04948	8.3
83.08597	2.1
85.06535	1.9
91.05458	20.8
92.08970	8.1
93.07017	22.0
95.04948	22.9
95.08587	16.8
96.08154	2.3
97.06510	100.0
98.97552	2.9
99.08061	6.1
105.07012	17.9
107.04945	6.1
107.08575	19.8
109.06512	7.1
109.10136	5.4
111.08052	1.5
115.05432	1.9
115.07556	8.8
116.98583	6.6
117.07001	11.1
119.08558	7.9
121.06489	3.3
121.10119	8.3
123.08076	2.1
129.06970	2.0
131.08539	8.6
133.06375	2.1
133.10120	9.1
133.11092	1.5
134.99648	2.5
135.08034	3.5
135.11665	3.1
143.08571	2.2
145.10103	7.8
147.08076	2.2
147.11687	2.2
149.09615	2.1
149.13193	3.0
151.11188	1.7
157.10072	1.8
159.11665	7.9
171.11699	1.6
173.13162	2.0
175.11252	2.7
177.12721	1.8
183.11687	2.9
187.10959	1.4
198.59796	1.6
217.15622	2.2
273.18402	3.4
291.19241	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28497	2.9
55.01874	7.8
55.05507	54.4
57.03424	6.9
57.07064	7.9
60.56008	3.0
65.03929	3.6
67.05489	72.7
69.03423	4.4
69.07047	67.0
77.17151	3.2
79.05480	56.2
81.03401	8.2
81.07037	100.0
83.04961	6.8
83.08595	8.6
85.06513	6.6
85.47845	4.0
91.05466	67.3
92.08978	12.5
93.07030	61.7
95.04957	17.5
95.08598	53.6
97.06516	20.2
97.10138	16.4
105.07023	64.2
107.08546	36.3
109.06493	9.0
109.10147	23.8
117.06979	14.1
119.08570	37.0
121.06509	5.2
121.10132	19.0
123.08056	8.1
123.11729	6.1
125.09578	5.3
131.08546	30.1
133.10127	26.4
135.08031	6.2
135.11610	4.1
145.10118	14.9
147.11652	31.9
157.10062	6.0
159.11676	8.4
161.13330	5.0
163.11137	5.9
165.12799	6.6
171.11786	3.6
185.13274	4.5
192.42477	3.9
257.18771	6.9
275.20035	32.9
289.21509	6.1
306.19098	3.6
324.85513	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	358.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01847	4.8
55.05506	37.5
57.03416	12.6
57.07063	7.2
60.44447	2.7
65.03916	2.9
65.12195	2.4
67.05189	4.0
67.05495	67.9
69.03432	4.2
69.07077	20.6
71.04967	3.9
79.05481	49.3
81.03388	16.8
81.07040	100.0
83.04951	5.1
83.08575	12.7
85.06534	3.4
87.04463	10.6
88.07647	3.5
91.05466	63.5
92.09145	25.8
93.07026	48.5
95.04963	11.7
95.08597	46.5
97.06515	4.0
99.35664	2.8
105.07019	49.4
107.04920	4.2
107.08615	24.8
107.09192	2.8
109.06469	5.4
109.10135	14.8
117.06985	12.4
119.08576	33.1
121.06481	5.9
121.10105	17.7
123.08043	6.5
129.06981	5.1
131.08540	18.7
133.10114	19.3
135.11705	4.1
145.10098	12.0
147.11655	22.4
149.09610	4.9
157.10196	4.7
165.12717	5.4
171.11659	4.1
173.13210	4.1
197.15285	3.7
275.20041	17.2
275.80249	3.5
289.21564	3.9
296.33081	3.8
309.20529	3.0
358.32959	4.1
358.36737	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	358.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
54.81659	1.2
55.01871	2.0
55.05510	1.4
56.96571	1.2
57.03174	2.0
57.03432	32.2
58.06582	1.4
59.04992	7.1
60.04511	5.9
60.35061	1.0
61.02909	8.5
67.05484	1.7
67.94635	1.1
69.03420	86.8
70.06586	2.0
71.04974	2.8
73.02911	12.6
75.04461	6.8
79.05511	1.2
81.03372	9.2
83.04974	5.0
84.08120	2.2
85.02897	100.0
85.06522	1.6
86.06091	1.3
87.04455	56.0
89.06004	5.3
91.03939	7.7
92.08792	1.5
92.09239	1.3
97.02876	67.0
98.97585	2.0
99.04439	7.2
101.05994	5.3
101.99878	1.2
103.03902	1.6
105.05490	1.5
109.02873	6.2
110.07138	2.2
111.04448	2.7
115.03919	46.3
116.98613	1.3
119.04912	2.5
123.04416	5.8
123.05305	1.2
123.06807	14.9
127.03919	20.7
132.08101	1.2
133.04950	48.6
135.04417	1.8
137.05963	11.6
143.07030	1.4
145.04947	25.8
147.04404	16.3
149.53146	1.5
150.05507	5.0
150.07605	5.1
161.08075	2.9
163.03889	4.6
163.06009	10.6
164.04228	2.7
165.04404	1.9
166.08624	2.4
177.00577	1.6
178.07079	2.1
178.08609	7.7
178.12161	2.0
179.06993	1.6
188.07184	1.2
189.05421	1.9
193.49017	1.3
196.07883	2.1
196.09656	37.4
196.11366	2.1
209.10231	1.9
217.04903	2.3
259.07986	4.3
295.10388	1.6
323.12927	1.4
358.09747	1.8
359.12967	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.1
53.04146	0.5
55.05500	2.1
57.03410	2.2
61.02906	0.6
65.18481	0.5
69.03071	0.6
69.03413	12.0
71.04967	1.0
73.06520	1.1
74.06056	0.6
74.09689	4.0
76.33791	0.6
78.03433	20.1
80.05003	2.2
80.14416	0.4
81.03396	21.5
85.02885	14.7
92.09067	0.8
96.04460	5.4
97.02862	3.7
99.04420	2.3
100.80065	0.5
106.02893	87.8
109.02863	8.7
117.03343	0.7
124.03922	100.0
127.03883	6.7
133.06403	1.9
145.02788	3.4
146.03162	3.4
161.05905	2.1
163.03883	0.5
166.05014	2.5
177.05421	5.3
178.05751	3.3
179.07048	0.8
196.13240	0.7
232.05949	4.9
250.07033	12.9
267.39075	0.5
268.08087	26.1
334.76868	0.6
340.79303	0.5
357.15326	0.9
358.15164	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	358.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.4
51.47581	0.4
53.03937	3.8
55.01856	0.6
55.05498	0.9
57.03425	1.6
61.75091	0.4
63.26339	0.4
67.11797	0.4
69.03414	11.6
69.50178	0.4
70.73412	0.4
71.04959	0.5
73.06526	2.3
75.36445	0.4
78.02998	0.9
78.03435	17.7
78.95937	0.4
80.04977	3.4
81.02929	0.8
81.03398	18.7
85.02892	12.1
89.19633	0.4
90.50887	0.4
96.04478	4.7
97.02866	4.2
98.17665	0.4
99.04421	3.1
101.63823	0.5
106.02895	78.1
109.02857	8.2
109.98535	0.5
114.37126	0.5
116.63746	0.5
119.04900	2.1
120.05245	0.5
124.03925	100.0
124.94630	0.4
127.03878	4.6
133.06525	0.5
134.87846	0.5
147.04393	4.7
148.04697	3.8
149.04959	2.0
156.35870	0.5
161.05939	0.6
166.04982	0.9
232.06073	2.9
250.07042	10.8
268.08078	23.8
358.14771	0.5
367.10529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.3
51.22486	0.2
53.03951	3.2
55.01863	0.3
55.05507	0.7
57.03419	1.2
58.55239	0.3
61.02913	0.5
63.63544	0.2
67.05481	0.5
69.03065	0.5
69.03416	8.2
69.07052	1.1
71.04970	0.5
72.71973	0.2
73.06519	0.3
77.03904	0.5
79.05476	10.3
81.03401	8.4
81.07039	2.4
83.04956	0.4
83.08617	0.3
84.08116	0.4
85.02892	14.6
91.05463	0.5
93.07028	2.0
95.04955	6.6
95.08584	1.7
97.02863	3.4
97.06524	0.3
97.10140	0.4
99.04427	1.9
105.03378	100.0
105.07035	1.7
107.08573	1.4
109.02882	4.1
109.10145	1.3
117.03374	0.6
119.04903	0.4
119.08595	0.4
121.06493	0.4
121.10064	0.6
123.04408	15.0
123.08058	0.3
123.11672	1.3
127.03907	3.9
133.10133	0.5
137.05942	0.4
139.07491	0.4
145.02850	4.1
145.04985	0.6
149.05980	0.4
159.11642	0.6
177.05487	3.1
177.12787	0.4
221.85765	0.3
231.06613	0.6
249.07504	4.7
267.08609	11.9
303.23105	0.3
310.79898	0.3
357.13849	0.5
357.18698	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.3519
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
50.03225	0.3
54.89074	0.3
55.05504	15.6
57.07073	3.2
58.06588	0.6
62.06074	0.3
67.05481	0.5
69.07050	12.5
70.06575	19.8
71.08609	0.7
81.07032	0.4
83.08603	4.8
85.10164	0.4
88.07613	22.4
92.09053	0.8
95.08614	0.5
97.10150	1.6
102.09155	5.1
105.73524	0.4
106.08649	9.6
255.40381	0.4
312.32489	1.4
338.34094	8.3
346.86108	0.4
356.35141	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	357.1177
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
54.78757	0.3
55.01936	0.2
55.05502	0.3
63.02362	0.4
67.05492	0.4
69.03424	0.8
73.86965	0.3
74.89130	0.3
78.04711	0.6
79.05484	0.3
81.03410	0.4
81.07043	1.3
85.02889	2.2
89.03897	13.2
91.05463	1.3
93.07004	0.4
95.04972	0.5
97.02837	0.5
103.05464	0.7
105.03369	0.4
106.02914	1.4
106.04163	0.7
109.02891	0.4
115.87749	0.3
117.03357	30.2
119.04965	0.3
121.06490	0.4
124.03918	1.9
134.03621	3.8
135.04396	5.0
145.02829	70.2
146.03137	0.4
149.05959	14.8
162.03084	1.5
163.03885	6.2
171.81863	0.3
177.05431	100.0
178.05760	0.6
186.05461	0.5
195.06499	22.5
239.11815	0.3
357.11725	0.4
357.15192	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	357.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53009	0.2
53.03944	3.6
55.01881	0.2
55.05502	1.9
57.03419	1.3
61.02914	0.6
65.86272	0.2
67.05474	0.5
69.03069	0.4
69.03416	8.5
69.07043	1.2
71.04964	0.4
73.06535	1.8
77.03900	0.5
79.05473	11.1
80.23201	0.2
81.03393	6.8
81.07056	1.9
83.08603	0.2
85.02892	15.7
91.05447	0.3
92.08893	0.4
93.07010	0.4
93.88757	0.2
94.27680	0.3
95.04940	6.7
95.08582	0.6
97.02885	2.7
97.10135	2.4
99.04390	0.9
101.51209	0.2
105.03372	100.0
106.03726	0.3
107.08549	0.3
109.02862	3.8
109.10140	0.3
119.08556	0.3
121.10072	0.5
123.04403	14.6
123.11649	0.4
125.09573	0.3
127.03886	4.2
143.10591	0.4
145.04956	1.0
161.97606	0.3
173.80287	0.3
177.05437	0.5
231.06500	0.4
249.07550	3.6
267.08563	10.8
271.91812	0.3
294.93063	0.3
358.59534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
53.19832	0.4
54.81385	0.6
57.03426	0.5
59.04992	11.4
60.04517	0.7
67.05479	0.8
69.03418	4.4
71.04975	0.7
72.04501	89.9
79.05476	5.2
81.03403	5.5
81.07030	0.8
81.22266	0.5
81.37867	0.6
83.04968	0.9
85.02887	7.5
86.06043	0.6
92.08784	0.8
93.07024	0.8
95.04949	7.2
97.02885	4.2
99.04454	0.9
101.09644	1.0
105.03374	100.0
106.03731	3.5
109.02864	3.5
119.08627	0.8
120.90249	0.6
123.04395	6.2
127.03879	6.4
136.97560	0.6
139.03877	4.1
140.07082	0.6
152.07039	3.6
159.08099	2.4
165.05452	3.1
177.14861	1.9
180.06554	1.1
198.07634	0.8
231.06461	2.8
235.55438	0.6
249.07591	4.1
267.08597	5.4
292.11725	1.2
309.96509	0.6
310.12802	1.2
320.11292	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	356.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42244	0.2
50.84512	0.2
51.02368	0.3
53.03939	4.0
55.01870	0.4
57.03430	0.7
60.57224	0.3
61.02903	0.3
62.06080	12.1
69.03068	0.4
69.03419	7.5
69.07062	0.5
71.04988	0.3
72.04122	0.4
72.04501	8.6
77.03901	0.6
79.05473	5.6
81.03402	13.0
85.02892	8.4
90.05540	15.3
95.04948	6.3
97.02873	8.4
99.04440	1.6
99.50607	0.3
105.03378	100.0
106.03696	0.5
109.02863	6.6
111.11706	0.3
123.04414	8.9
127.03873	3.9
127.66120	0.3
128.91841	0.3
145.04893	0.6
167.06921	0.5
201.47757	0.3
208.35039	0.3
231.06625	0.4
249.07539	8.2
267.08600	7.3
355.17249	0.4
356.17502	3.1
368.84238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01563	0.3
53.03936	3.7
55.05513	0.3
57.03426	0.6
62.06075	10.9
65.19527	0.3
66.90272	0.3
69.03415	6.6
69.07040	0.7
71.04967	1.3
72.04499	8.7
73.02881	0.3
78.41785	0.3
79.05477	4.9
81.03403	14.1
83.01281	0.3
85.02885	9.2
86.71877	0.3
90.05537	17.9
92.08629	0.4
92.09113	0.7
95.04945	6.2
97.02876	8.6
99.04434	1.7
105.03378	100.0
106.03706	0.5
109.02874	6.4
111.11723	0.5
111.24275	0.3
123.04406	7.5
127.03881	4.5
145.04951	1.4
157.12199	0.4
167.06985	0.5
167.78351	0.3
178.79715	0.3
215.79556	0.3
231.06491	0.3
249.07512	9.9
267.08588	7.5
355.04291	0.3
355.17215	1.4
356.17624	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	355.2839
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.61621	0.9
53.03933	1.9
53.14635	1.0
55.01869	2.0
55.05503	32.1
56.61375	1.0
57.03432	9.3
57.07074	14.2
64.06358	1.0
64.54134	1.0
64.93160	1.1
65.03930	1.2
67.05492	100.0
69.03420	1.5
69.07053	36.2
71.04977	2.5
71.08616	7.0
75.04460	1.3
76.00969	1.0
76.56104	1.0
79.05473	27.1
81.07038	98.5
83.04955	1.6
83.08607	18.7
85.06523	2.3
85.10162	2.0
91.05452	21.0
92.08838	2.6
92.09325	1.3
93.07019	28.5
95.04940	2.3
95.08585	87.0
97.06503	7.2
97.10144	12.8
99.08041	1.3
101.83108	1.1
105.07014	14.9
107.08572	17.9
109.10143	36.2
111.08086	1.3
116.98608	1.6
119.08569	15.2
121.10120	19.1
123.11691	15.4
128.67686	1.2
129.05434	1.3
133.10109	13.7
135.11652	8.6
136.42458	1.1
137.13251	5.8
147.11615	12.3
149.13252	7.1
151.11215	1.2
151.14781	4.2
161.13194	9.2
163.03809	1.4
163.14787	4.9
165.16360	4.1
175.14850	7.2
177.16360	1.6
179.17874	1.7
189.16475	2.2
245.22566	23.6
248.89748	2.1
261.16910	1.2
263.23636	34.5
273.12302	1.2
290.94577	1.4
305.24689	1.4
323.25659	1.6
337.27271	27.7
355.28152	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	355.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00269	1.1
55.05275	1.1
55.05508	20.8
57.07061	7.8
60.56154	0.9
65.03903	1.2
67.05142	1.6
67.05486	36.2
69.03400	2.3
69.06673	1.1
69.07048	31.0
69.66084	0.9
71.04948	1.2
71.08603	1.3
79.05465	17.6
79.66665	0.9
81.03381	1.2
81.07035	100.0
81.45982	1.0
83.04951	2.3
83.08591	9.3
85.02874	1.6
85.06522	29.7
91.05448	9.5
92.89460	1.1
93.07018	37.2
95.04941	2.0
95.08578	88.5
97.06495	5.0
97.10153	8.4
99.04436	2.5
99.08080	5.9
100.31246	1.0
105.03369	1.1
105.06998	20.5
107.08576	40.4
109.06502	8.9
109.09386	1.4
109.10139	42.5
111.08040	4.6
111.11684	1.5
111.66248	0.9
115.07597	1.1
117.03355	1.4
119.08572	15.4
121.06423	1.5
121.10110	27.3
123.08000	4.3
123.11680	27.6
124.13094	1.1
124.14188	1.1
125.09574	1.6
127.07507	6.1
127.11143	1.8
129.06976	1.2
131.08551	4.0
133.10098	13.0
135.04395	1.9
135.08023	1.8
135.11667	21.5
137.05945	1.2
137.09593	5.1
137.13239	9.1
143.08545	1.9
145.02841	1.2
145.10106	5.2
147.08084	1.4
147.11661	12.5
149.09558	2.3
149.13242	16.6
151.11118	2.6
159.11633	7.7
161.09546	1.4
161.13210	5.4
163.03865	12.6
163.11183	2.1
163.14789	2.5
165.12689	2.0
167.10614	1.9
171.11615	1.7
173.13301	1.7
175.14787	4.8
177.12694	3.9
177.16342	1.5
179.10718	1.6
185.13164	1.1
187.14786	2.0
195.13811	1.6
201.16281	1.5
205.19472	4.9
209.15407	1.6
213.16371	1.8
223.20511	2.4
249.18338	1.8
259.24210	1.1
263.19894	1.6
283.24115	1.9
284.10968	1.1
301.25201	7.5
301.76462	1.2
319.26236	22.1
337.27133	10.9
355.28360	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	355.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18359	2.1
51.93721	2.1
53.16783	1.8
55.05508	32.3
55.94033	2.3
57.03430	9.2
57.07066	15.4
66.90990	2.3
67.05493	99.1
69.07059	37.7
69.53524	2.2
70.06590	3.2
71.08624	3.5
79.05471	24.9
81.07041	100.0
81.07522	3.7
83.08601	27.4
85.06546	4.5
88.07624	10.3
89.07983	2.2
91.05450	22.9
93.07032	32.3
95.08586	86.2
97.06533	3.9
97.10162	10.9
98.97565	23.1
105.06999	15.4
106.08649	3.0
107.08578	23.9
109.10144	31.5
111.11723	2.7
116.98602	25.4
119.08569	16.1
121.10126	15.1
123.11692	12.0
133.10129	16.8
134.99654	16.5
135.11699	11.2
137.13182	2.8
147.11690	11.2
149.13228	3.0
161.13263	10.3
163.03911	6.2
163.14809	6.3
175.14853	3.5
189.16409	3.9
213.70525	2.5
239.43056	2.8
245.22612	23.2
248.89830	2.7
263.23666	27.3
290.94690	15.8
308.95813	3.2
327.30920	2.9
337.27158	18.2
354.33725	15.5
355.30066	3.2
355.33719	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	355.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03716	1.8
53.03939	27.7
55.01854	7.4
55.05491	1.4
57.03416	6.2
61.02906	8.0
67.05482	1.6
69.03415	71.7
71.04964	8.7
73.02913	13.9
76.56535	1.9
81.03397	100.0
83.08593	1.9
85.02888	56.2
87.04465	1.9
88.54633	1.3
89.03911	1.3
91.05460	1.4
95.08570	2.8
97.02872	44.7
99.04440	22.1
101.02372	1.4
103.03928	2.1
105.07022	2.5
107.08565	1.8
109.02859	76.0
116.04966	23.9
119.08535	2.0
121.10139	2.1
127.03897	60.1
133.04939	5.3
133.10110	8.7
135.04373	2.0
145.04950	15.1
147.11777	1.6
163.03822	8.9
175.14816	1.7
187.05971	87.9
200.19542	1.4
205.07053	28.9
228.33168	1.6
257.45352	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2839
Annotation	1-Linoleoyl-(2S)-glycerol
Peak:m/z	Relative Intensity
50.60123	1.0
52.66340	1.2
53.00284	1.8
53.03922	2.0
55.05503	83.0
57.03174	2.0
57.03429	36.4
57.07078	12.1
60.42165	1.2
65.03924	2.2
67.05491	81.3
69.07053	83.3
71.04967	7.2
79.05476	25.1
81.07037	100.0
83.04958	2.4
83.08604	44.1
85.06544	6.0
91.05463	15.5
92.08801	2.0
92.09286	1.9
92.64059	1.5
93.07026	32.8
95.04940	1.9
95.08584	74.7
97.06509	8.2
97.10153	20.7
97.99332	1.5
105.07002	15.0
107.08599	20.6
108.97891	1.3
109.10139	28.5
111.08072	1.6
111.11750	1.9
112.77729	1.5
119.08530	11.7
121.10134	12.3
123.11684	10.9
125.09616	2.1
133.10089	7.9
135.04474	1.9
135.11690	6.0
137.13268	1.7
145.10146	2.5
147.11668	6.4
149.13242	6.5
159.11787	1.6
161.13214	2.6
163.03856	5.2
163.14746	2.1
175.14761	2.3
233.22188	1.6
245.22603	2.8
263.23605	5.9
276.91409	1.5
337.27478	10.2
355.28372	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1019
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
52.88445	0.2
55.05537	0.2
63.02355	0.2
67.05488	0.4
79.05470	1.3
82.86027	0.2
83.04962	1.1
85.02877	0.3
89.03898	9.8
92.09035	1.0
93.03417	0.3
95.04939	0.4
107.04937	2.6
107.36051	0.2
111.04443	0.5
114.09166	0.2
117.02530	0.3
117.03362	13.4
135.04398	28.9
145.02832	18.8
145.03749	0.5
163.03877	100.0
178.27063	0.3
334.00818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	ST077074
Peak:m/z	Relative Intensity
53.03932	0.2
57.03415	0.3
58.96545	0.1
61.02903	0.7
61.70927	0.1
67.01839	1.1
67.05489	0.2
68.99769	0.3
69.03403	1.1
71.04976	0.2
81.03422	0.2
83.71368	0.1
85.02893	4.0
89.30421	0.2
92.08723	0.2
92.09213	0.2
92.25125	0.2
97.02876	0.7
98.97558	0.1
99.04444	0.2
99.29647	0.2
105.03374	0.3
109.02872	0.4
110.80477	0.1
119.04887	0.2
125.05942	0.8
127.03871	0.8
135.04382	0.2
145.04903	0.3
147.04396	0.9
151.03835	0.3
153.01801	1.0
163.03929	1.3
169.04933	1.2
175.03941	0.2
193.04932	100.0
194.05183	0.8
197.01248	0.3
215.02319	0.3
347.79080	0.2
355.17200	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	355.1019
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
51.95967	0.2
55.05492	1.0
57.03416	0.5
59.04718	0.3
59.04987	7.2
63.02351	0.4
67.05460	0.3
69.03393	0.5
69.07064	2.1
71.04948	0.6
79.05470	2.6
81.07033	0.3
83.04951	1.5
85.02879	1.6
85.06512	0.3
86.84395	0.2
89.03889	12.5
91.05402	0.3
92.09090	0.3
94.36542	0.3
94.88263	0.3
95.04934	1.1
95.08554	0.4
97.02890	0.4
99.08101	0.3
100.65530	0.3
107.04931	4.5
109.02864	0.4
111.04420	0.5
111.11693	0.4
113.02235	0.2
117.03350	17.9
117.09078	0.7
119.04911	0.4
121.10052	0.5
129.05443	0.3
129.34593	0.3
135.04382	36.0
139.11151	1.1
145.02818	22.7
147.04402	1.8
157.12207	2.4
158.12521	0.4
163.03862	100.0
164.04190	0.4
193.14429	0.5
319.17279	0.3
355.13480	0.3
362.76917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	54.2
55.11928	10.3
56.96555	19.9
59.65792	11.7
67.05493	55.7
69.07047	21.0
72.04520	10.8
79.05492	20.9
81.07044	56.9
83.04970	18.9
91.05464	65.9
92.08842	57.7
93.07027	81.6
95.04926	13.7
95.08597	49.7
98.97566	100.0
105.07027	79.2
107.08560	51.9
109.10177	22.0
116.98618	87.5
119.08532	49.0
121.10146	24.2
131.08560	19.0
134.99640	96.5
153.00774	16.4
157.89355	16.0
159.11638	12.4
161.13245	11.4
163.03911	20.0
265.92828	14.0
290.94739	86.8
308.95578	22.6
336.28503	16.8
352.04843	12.3
353.32654	16.7
354.33228	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3362
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
53.00302	1.5
55.05259	1.4
55.05502	21.1
56.05038	0.9
57.05798	2.2
57.07065	22.7
57.80542	0.8
58.02937	2.3
58.06590	27.7
60.04505	1.2
60.63658	0.8
67.04254	0.9
67.05492	12.1
67.68320	0.9
69.06714	1.5
69.07056	31.8
70.02924	6.4
70.06576	13.5
71.04977	1.6
71.08604	12.7
72.04497	3.8
72.08116	0.9
74.06056	4.2
79.05473	1.7
80.00426	0.9
81.07034	22.4
82.06549	4.4
83.08617	17.4
84.08128	14.9
85.10159	3.9
86.06045	5.7
87.06828	1.7
91.05438	1.0
92.09000	10.1
93.07024	4.2
95.08589	21.5
96.08103	1.7
97.06511	1.7
97.10146	12.3
98.09675	4.5
98.69807	0.9
107.08564	2.0
109.10158	10.5
111.11697	5.3
121.10104	1.2
123.08067	1.6
123.11668	4.5
126.09074	1.0
135.11644	1.1
137.13254	1.5
140.10696	1.1
176.45668	1.0
197.02405	0.9
209.63947	1.0
237.93011	1.2
268.29663	1.2
294.31842	1.2
306.31491	4.7
307.29861	2.1
308.33096	6.2
313.32983	1.1
326.34106	7.2
336.32562	13.8
354.33591	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	16.8
56.96562	2.6
57.03433	2.6
57.07070	6.8
67.05138	4.6
67.05497	100.0
69.07070	23.4
70.06575	4.4
73.64957	2.5
79.05470	65.3
81.07040	89.9
83.08594	4.6
88.07603	4.8
91.05462	29.2
92.08941	2.9
93.07030	95.5
95.04950	5.4
95.08590	85.7
97.06541	3.0
99.08070	4.4
105.07016	28.2
107.08576	55.8
109.06520	4.0
109.10162	27.2
117.07012	6.5
119.08572	19.4
121.10129	37.3
123.11710	13.1
131.08571	31.1
133.10161	15.7
135.11679	23.2
145.10114	16.7
147.11778	4.4
149.13240	17.1
154.11491	3.4
159.11652	11.1
161.13184	5.4
163.14790	10.2
173.13261	18.0
179.12758	3.2
179.14217	2.9
187.14754	5.9
243.21057	23.8
261.22073	55.5
263.23392	2.6
294.39032	3.0
335.25955	3.3
352.31888	5.8
353.32440	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.74712	0.4
53.03931	2.4
55.01861	0.9
55.05503	16.2
56.46404	0.4
57.03421	7.1
57.07063	3.9
59.52099	0.5
60.41348	0.5
65.03925	2.4
67.05489	100.0
69.07052	13.9
71.04975	2.7
71.08603	1.2
72.23295	0.5
75.04453	0.6
79.05471	46.4
81.07033	97.9
83.04954	1.2
83.08596	7.5
85.06518	2.9
85.94859	0.6
88.00903	0.5
91.05458	21.0
92.08993	4.1
93.07018	57.0
95.04935	4.3
95.08578	69.7
97.06511	4.1
97.10139	2.5
99.08086	0.9
105.07011	17.8
107.08574	32.8
109.06480	1.0
109.10134	27.0
111.08036	1.0
111.11705	0.5
113.05949	0.5
117.06991	8.9
119.08552	14.1
121.06490	0.6
121.10114	26.9
123.08016	0.9
123.11678	10.5
125.09563	0.7
129.06955	0.8
131.07631	1.0
131.08536	18.9
133.10129	11.2
135.11661	18.6
137.13243	2.8
145.10091	12.7
147.11676	7.6
149.09583	0.5
149.13234	14.4
151.11159	0.6
151.14827	0.9
159.11647	9.8
161.13214	7.5
163.11154	0.7
163.14772	7.4
165.12665	0.9
173.13222	8.0
175.14793	2.7
177.16327	2.3
187.14810	6.6
194.49294	0.6
201.16484	1.0
233.22568	2.2
243.21001	14.2
261.22061	34.1
262.41400	0.5
279.23096	1.2
335.25763	8.6
353.26782	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56881	2.4
55.05491	17.5
57.03422	3.2
57.07053	11.3
60.31344	2.6
67.05145	4.6
67.05489	100.0
69.07041	16.6
71.80434	2.8
79.05466	70.3
81.07037	85.7
82.07393	2.7
83.04955	5.1
83.08625	4.7
88.07607	5.5
91.05463	28.6
93.07017	82.0
95.04939	4.8
95.08578	74.8
97.06492	5.7
97.10129	3.1
99.08055	3.9
102.96810	2.7
103.09299	2.7
105.07014	25.2
106.08647	3.1
107.08562	45.4
109.10150	19.5
117.06968	10.9
119.08572	6.6
121.10086	30.7
123.11689	11.1
131.08537	24.6
133.10112	3.9
135.11679	22.9
145.10069	15.6
147.11650	5.9
149.09573	3.5
149.13264	17.6
159.11688	5.6
161.13248	6.5
163.14763	6.8
173.13248	4.8
175.14877	3.2
177.16422	3.6
187.14731	3.2
207.72453	2.5
228.43745	2.7
233.22388	3.2
243.21045	17.9
261.22101	51.5
317.63980	2.9
322.38394	3.1
335.25833	4.3
335.31619	3.1
352.32178	20.1
353.25888	3.1
353.32367	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	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.7
53.03924	0.9
55.01860	0.9
55.05500	16.0
56.59619	0.6
57.03424	5.2
57.06804	0.5
57.07053	5.7
58.18149	0.5
60.02647	0.5
65.03912	2.4
67.05487	100.0
67.79947	0.6
69.07051	15.4
71.04952	3.4
71.08601	0.8
75.04443	1.2
79.05001	1.2
79.05469	51.3
81.07034	97.3
83.04948	0.8
83.08598	7.5
85.02867	3.7
85.06513	1.4
89.26283	0.6
91.05453	23.8
92.09044	0.9
93.07015	75.4
95.04926	3.9
95.08578	69.3
97.06487	2.6
97.10121	1.4
99.08041	0.8
105.06274	0.8
105.07000	20.0
107.08564	43.0
108.41701	0.7
109.06496	1.3
109.10136	27.3
111.08022	2.5
113.09653	1.3
117.06980	11.5
119.08544	16.6
119.88069	0.7
121.10116	32.2
123.08064	0.9
123.11672	12.8
129.06960	0.8
131.08536	22.1
133.10106	12.5
135.07973	0.8
135.11650	19.7
137.09593	0.8
137.13284	4.4
139.54395	0.7
145.10094	16.6
147.11661	8.0
149.13210	18.7
151.14774	1.3
159.11644	12.4
161.13213	8.8
163.11137	1.0
163.14774	8.9
165.12700	1.1
165.56273	0.6
173.13225	12.5
175.11163	1.0
175.14792	1.4
177.16353	3.9
179.14285	1.0
187.14783	8.3
201.16403	1.3
208.37225	0.7
215.17905	1.2
221.11743	1.4
233.22572	1.3
243.21002	19.2
261.22061	56.6
279.23209	2.8
317.25043	0.7
335.25757	9.2
353.26810	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
53.50876	0.8
54.81670	1.0
55.05500	14.4
57.03415	6.1
57.07053	6.4
65.50854	1.0
66.95520	1.2
67.05488	100.0
69.07040	13.7
71.08605	1.4
79.05471	48.3
81.07034	81.7
83.08587	9.0
85.06525	2.2
91.05458	22.2
92.08855	2.5
93.07018	65.4
95.04935	2.1
95.08582	59.1
97.06480	1.5
97.10157	1.7
105.07010	18.2
107.08572	29.0
109.06493	2.9
109.10139	17.6
117.06974	6.2
117.75072	1.2
119.08553	14.5
121.10108	25.5
123.11658	7.8
131.08533	17.3
133.10077	8.9
135.11655	21.4
137.09554	1.2
137.13162	1.1
145.10110	11.9
147.11633	5.4
149.13264	10.6
159.11632	7.7
161.13191	6.0
163.14778	7.0
173.13278	8.8
175.14795	1.5
177.16286	2.4
187.14754	5.8
201.16196	1.7
209.03986	1.1
225.79442	1.3
233.22508	2.9
243.21080	15.6
261.22058	38.4
279.23050	1.7
335.25711	7.5
353.17007	2.5
353.26938	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.00304	0.6
53.03935	1.4
54.81772	0.6
55.01871	0.7
55.05503	15.0
57.03431	7.9
57.07070	5.4
65.03918	2.5
67.05489	94.5
69.07050	14.2
71.04968	1.5
77.03910	0.7
77.05771	0.7
79.04991	0.9
79.05469	45.5
81.07034	100.0
83.08592	6.8
85.06530	1.6
91.05453	26.8
92.08889	3.8
93.06406	1.2
93.07018	59.9
95.04955	3.8
95.08580	69.7
97.06499	3.3
97.10142	3.7
101.21906	0.8
105.04474	0.8
105.07014	17.2
105.07665	1.3
107.08569	34.7
109.06464	1.3
109.09378	1.4
109.10130	33.6
110.24948	0.6
111.08058	1.1
117.07011	6.7
119.08553	13.6
121.10112	27.9
123.08065	1.0
123.11653	12.2
125.09618	0.7
128.43959	0.6
131.08545	17.7
133.10086	11.0
135.11659	23.2
137.09579	0.9
137.13229	4.7
145.10106	11.3
147.11633	10.3
149.09593	0.9
149.13225	13.7
151.11188	1.1
151.14801	0.7
159.11653	8.8
161.13190	7.5
163.14784	7.8
165.12645	1.1
173.13228	9.8
175.14824	1.5
177.10124	0.7
177.16400	2.4
187.14842	6.0
201.16397	1.0
205.15852	1.2
219.17567	0.7
233.22566	2.5
233.66319	0.9
243.21042	18.6
261.22055	47.9
263.23550	0.8
273.46704	0.6
279.20386	0.7
279.23172	4.2
335.25732	10.6
353.26779	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25192	1.3
53.93674	1.3
54.81778	1.4
55.05498	3.1
58.70345	1.4
59.08625	1.3
67.05484	3.0
69.03414	2.6
69.07044	3.0
79.05462	3.9
81.07043	11.5
83.04949	1.8
91.05459	3.0
92.08720	5.7
92.09315	6.3
93.07027	9.0
94.93948	1.7
95.04942	3.1
95.08599	8.3
98.97568	1.8
105.03378	7.9
105.07019	11.8
107.08577	8.0
109.10159	7.2
119.08537	7.2
121.10137	3.2
129.34354	1.5
131.08553	3.3
133.00699	2.2
133.10130	7.3
145.10081	3.8
147.11671	5.8
172.48840	1.7
267.93942	1.9
311.32562	2.0
353.22922	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.09602	0.6
51.70193	0.4
52.75716	0.5
53.03933	1.2
55.01850	0.5
55.05505	15.9
57.03432	6.8
57.07063	4.8
62.37757	0.4
65.03918	2.8
67.05492	99.9
67.58201	0.5
69.07050	14.0
71.04967	1.3
71.08635	0.7
75.04452	0.7
75.53114	0.5
79.05473	45.8
81.07037	100.0
83.04934	1.2
83.08608	8.0
84.87009	0.6
85.06530	2.9
91.05460	21.8
93.07021	60.0
95.04948	2.8
95.08583	75.1
97.06519	2.2
97.10146	3.2
99.08069	0.8
105.06350	1.1
105.07015	18.8
107.08573	32.6
109.06493	1.0
109.10145	32.6
111.08062	0.9
113.09669	0.9
117.07004	11.0
119.08574	14.5
121.10117	30.9
121.10976	1.2
123.08028	0.7
123.11671	14.9
125.09599	0.9
131.08542	20.6
133.10123	11.9
135.11676	26.9
136.86679	0.5
137.09625	1.3
137.13242	5.1
143.49048	0.6
145.10098	13.7
147.11646	9.9
149.13242	17.1
151.11232	0.8
151.14966	0.7
153.12717	0.6
159.11684	10.5
161.13191	8.2
163.14796	9.2
164.67928	0.6
173.13208	12.3
175.14828	2.9
177.12604	0.8
177.16330	3.0
179.14291	1.3
187.14803	6.7
191.14264	0.8
201.16463	1.1
205.15881	0.8
206.14615	0.6
219.17375	0.7
222.57050	0.7
233.22563	1.1
243.21072	15.7
260.86594	0.6
261.22083	57.4
279.23123	3.8
291.45956	0.6
317.24927	0.9
335.25757	12.7
353.26752	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13921	0.6
50.25843	0.6
50.77489	0.7
53.03921	1.8
54.82041	0.7
55.05258	1.1
55.05505	18.2
57.03419	6.3
57.07065	5.7
65.03915	3.4
67.05487	96.3
69.06710	1.1
69.07050	14.9
71.04963	1.8
75.04480	1.1
79.05473	56.4
81.07034	100.0
83.04955	1.3
83.08585	9.1
85.06524	1.7
91.05447	29.7
92.08815	5.5
93.07016	73.5
94.07419	0.7
95.04928	4.1
95.08575	72.1
97.06485	4.6
97.10149	1.5
99.08039	1.4
105.07005	20.3
105.07667	1.4
107.08571	44.9
109.06480	1.7
109.09382	1.3
109.10130	30.8
111.08053	1.5
113.09595	0.9
117.06979	11.8
119.08543	17.7
121.10107	34.0
123.08033	3.3
123.11677	12.5
131.08534	21.6
133.10101	14.4
135.11652	23.8
137.13228	3.4
145.10095	14.8
147.11649	9.8
149.13219	17.0
159.11650	15.1
161.13193	9.4
163.14766	8.7
165.12680	1.2
173.13206	12.7
175.14803	1.8
177.16357	3.6
187.14749	7.5
201.16385	3.3
233.22740	1.9
243.21011	15.4
261.22058	56.8
335.25787	7.8
353.26791	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	353.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.5
57.03424	2.1
57.07063	4.2
58.82306	0.7
59.04987	4.7
61.02894	1.2
61.64538	0.7
67.05142	1.3
67.05489	28.4
69.03410	6.3
69.07050	15.1
71.04971	37.8
71.08608	4.6
71.99781	0.9
73.02900	0.9
79.05476	2.3
81.03384	1.4
81.07033	95.6
83.08598	4.0
85.02883	14.1
85.06523	47.9
85.98540	0.8
87.04456	2.2
92.08924	4.3
93.07036	4.3
95.04913	0.9
95.08578	100.0
96.08910	6.3
97.02873	5.0
99.08059	12.9
108.81999	0.9
109.02867	1.3
109.10135	19.0
110.10480	4.9
111.11684	1.8
113.09591	1.4
116.27229	0.9
119.08542	1.5
127.03853	1.8
135.38538	0.8
137.09624	8.1
137.13232	14.6
138.09937	5.6
145.04916	1.3
155.10649	9.6
155.14272	66.9
156.11014	5.6
173.11722	5.7
173.15317	24.6
174.12070	5.7
191.16397	13.5
218.67964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81466	1.6
55.01867	35.5
55.05229	1.8
55.05505	42.2
57.03421	1.5
57.07073	12.4
67.05492	89.1
69.03383	1.5
69.07057	68.6
71.04960	2.8
71.08607	3.4
79.05481	18.1
81.07040	100.0
83.04971	19.9
83.08603	49.2
91.05448	7.4
92.09113	1.8
93.07025	32.9
95.04939	1.8
95.08585	95.0
97.06507	15.9
97.10163	14.2
104.21066	1.5
105.06989	3.4
107.08589	25.6
109.10140	43.2
109.10856	2.5
110.69202	1.6
111.08101	2.1
111.11683	3.7
113.09558	1.9
119.08590	3.1
121.10118	17.4
123.11684	11.2
131.08572	6.3
133.10124	3.0
135.11647	9.7
137.13173	2.5
142.40660	1.9
147.11684	2.5
149.13243	6.3
153.12717	11.1
156.02145	1.7
163.14839	2.0
173.13210	3.6
180.24725	1.4
187.14879	6.3
203.82620	1.7
209.19035	1.9
223.16855	2.0
225.18507	2.0
299.27328	1.7
307.29929	8.8
317.28333	6.6
329.30261	1.7
335.29379	96.3
352.32013	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	353.0841
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
54.80248	1.2
67.10033	1.3
71.02322	1.3
74.48910	1.2
92.09136	2.2
121.04658	1.5
237.30447	1.9
276.52588	1.6
333.44684	2.0
353.08383	100.0
353.12741	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43489	1.0
53.00299	0.9
53.03930	1.3
55.01866	7.8
55.05492	5.2
57.03156	1.0
57.03421	5.4
57.07066	2.1
67.05488	6.6
69.03066	1.8
69.03417	38.0
69.07056	36.7
71.04952	4.7
73.02877	1.7
79.05460	8.0
81.03383	5.2
81.07034	15.1
83.04954	6.2
83.08595	2.2
85.02874	14.9
91.05462	12.0
92.08675	4.1
92.09283	2.4
93.07023	34.1
94.07362	1.2
95.04941	7.1
95.08578	14.6
96.08925	1.4
97.02853	6.5
97.06490	9.2
99.04449	1.6
105.07028	13.1
107.08578	34.1
109.06503	4.7
109.10159	9.0
111.08018	1.5
117.07019	1.9
119.04873	1.4
119.08556	10.8
120.08091	1.2
121.06476	29.5
121.10118	21.3
123.08031	5.0
127.03874	5.9
129.67891	1.0
131.08554	14.0
133.10110	21.5
135.08031	18.8
135.11671	11.9
137.05986	1.3
137.09610	4.2
137.13268	1.9
139.11143	1.5
143.08456	1.6
145.10091	7.5
147.04408	1.8
147.07970	1.1
147.11671	67.4
149.09592	12.6
149.13242	17.0
158.10846	5.4
159.09160	1.7
161.09575	12.3
163.11227	1.3
163.14745	4.3
173.13226	15.6
176.11969	4.3
191.14275	100.0
192.14478	1.4
201.10364	1.7
209.15376	4.2
231.77359	1.1
305.49619	1.3
353.15814	2.5
353.19589	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	352.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23764	0.8
53.43836	0.8
55.05505	7.6
57.03422	2.3
57.07069	25.6
57.88413	0.8
59.02007	0.8
59.04979	4.9
60.96856	0.9
61.02916	1.2
67.05491	14.0
69.03410	6.3
69.07048	14.5
71.04975	7.3
73.06540	4.4
75.06214	1.1
77.58221	1.1
79.05456	2.0
81.03405	1.5
81.07035	72.6
81.64550	0.9
83.08606	4.8
85.02882	20.0
85.06528	73.0
91.05463	1.6
92.09207	1.7
93.07009	4.3
95.08584	67.9
97.02864	6.8
97.06545	1.4
97.10155	5.0
97.75349	0.9
99.04456	1.3
99.08086	4.5
105.03384	2.1
105.07022	1.6
107.08568	4.6
108.08927	1.1
109.06545	0.9
109.10130	10.3
111.11705	2.5
119.04950	1.5
120.05296	1.2
120.08070	1.1
127.03875	4.1
130.06493	2.5
132.08043	4.4
133.10083	9.3
135.11670	2.4
136.11935	1.1
137.09624	7.1
137.13240	40.7
144.08081	4.3
147.04390	7.3
148.04694	9.4
149.13118	1.2
151.02007	1.0
155.10637	1.4
155.14285	100.0
159.09154	6.9
173.11580	1.0
173.15343	43.3
335.13855	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	352.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.9
55.18404	0.4
57.07069	0.5
58.24834	0.4
59.04982	2.1
61.02900	0.6
62.35830	0.4
67.05493	0.4
69.03405	2.6
69.03726	0.4
69.06711	0.5
69.07057	7.7
71.08613	80.4
71.65058	0.4
73.06524	0.6
81.03405	0.8
81.07051	1.9
85.02891	7.6
88.79250	0.5
92.09007	3.0
95.08574	0.7
97.02878	2.0
99.08070	100.0
109.02838	0.8
111.11681	0.5
129.12729	11.4
137.13194	0.7
147.04369	2.0
148.04698	1.8
155.14247	3.1
173.15334	36.6
266.58801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
54.81785	0.4
55.01863	2.6
55.05500	5.5
55.80294	0.4
57.03428	5.8
57.07065	12.2
59.04995	0.6
60.75201	0.5
67.05495	10.2
69.03410	4.5
69.07062	4.2
71.04978	1.9
75.04472	0.4
79.05471	12.0
81.03398	100.0
81.07038	10.3
82.03722	0.5
83.04970	4.8
83.08601	23.7
85.02885	2.9
85.06524	2.7
91.05459	15.2
91.05997	0.7
93.07019	7.2
93.46087	0.5
95.04944	30.9
95.08577	3.7
97.02872	3.7
97.06496	2.1
97.10148	0.7
98.03171	0.6
99.08089	0.6
105.03369	9.7
105.07013	11.5
106.03705	4.6
107.04936	7.8
107.08564	3.7
109.02892	0.5
109.06522	2.7
109.10130	1.0
109.98609	0.4
111.04469	2.2
111.08066	8.0
112.48282	0.5
115.05437	0.8
117.07030	0.8
119.04941	2.7
119.08546	11.2
120.05232	0.8
121.06483	0.9
121.10116	5.4
121.29025	0.5
123.08015	0.9
127.03915	0.8
129.06984	9.8
131.08540	8.8
133.06497	2.4
133.10141	4.5
135.07999	0.6
137.05916	0.5
137.09549	1.6
137.13266	0.8
142.07751	2.2
147.04393	6.6
147.08005	3.6
147.11678	8.4
148.04739	9.7
149.09592	5.8
155.14281	12.1
157.10078	9.5
165.12761	1.0
167.50888	0.5
167.52383	0.5
173.15404	2.8
175.11139	12.7
188.81749	0.5
193.12212	55.4
203.24161	0.5
203.42108	0.5
211.13226	4.8
258.26398	0.5
267.13217	0.9
267.15839	30.7
285.16895	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	352.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78887	0.4
55.01824	0.4
55.05492	2.8
57.03424	1.1
57.07055	0.4
59.04954	0.5
61.02925	0.6
64.21024	0.4
67.05490	23.0
67.58514	0.4
69.03392	1.0
69.07049	3.9
71.04974	5.5
71.41035	0.5
72.05297	0.6
79.05457	2.3
81.03417	0.5
81.07035	25.5
82.07371	0.7
83.08587	0.6
84.81738	0.5
85.02885	6.0
85.06527	2.5
88.82063	0.5
92.08875	2.0
92.64521	0.6
93.07018	4.2
95.04958	1.9
95.08581	16.0
97.02806	1.6
97.06518	0.6
99.04426	7.7
99.08065	2.5
107.08589	2.0
109.02892	0.5
109.06547	0.8
109.10136	100.0
111.08047	2.0
113.05952	0.7
115.56085	0.5
119.08562	4.2
127.18208	0.5
129.09065	1.0
135.11655	0.7
136.11977	0.6
137.04205	0.8
137.09587	50.9
153.12724	3.2
154.13058	1.0
154.17796	0.5
155.10638	67.9
173.11688	18.7
303.56485	0.5
336.56595	0.5
351.87527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.05489	0.6
57.03409	0.9
57.07067	4.5
61.02909	1.4
64.76965	0.6
67.05502	4.9
69.03410	4.1
69.07063	4.9
71.04935	0.7
79.05482	3.7
81.03427	1.3
81.07042	96.4
85.02422	1.4
85.02895	22.6
90.79032	0.6
91.05457	1.2
92.09013	1.9
93.07031	2.5
93.27343	0.6
95.08591	48.5
97.02875	3.4
99.04420	1.2
105.06999	2.8
107.08556	0.8
109.02898	2.4
109.10146	5.0
127.03895	4.8
137.13235	100.0
145.04916	5.8
155.10661	0.9
155.14302	7.1
163.06010	8.4
184.64168	0.7
204.31143	0.7
210.39685	0.7
253.42378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01847	1.0
55.05505	8.5
57.03432	4.8
57.07066	8.8
59.04992	5.7
61.02897	1.3
67.05491	21.3
69.03410	4.3
69.06713	0.9
69.07056	16.5
71.04610	0.9
71.04980	19.5
73.02905	1.1
73.06528	3.1
74.33648	0.5
76.56228	0.6
79.05451	1.0
81.03397	3.3
81.07046	6.7
83.04974	1.1
83.08607	19.8
85.02892	14.3
85.06007	1.0
85.06528	31.6
91.05434	1.4
92.09038	0.7
93.07007	3.3
94.07330	0.5
95.01290	0.6
95.04930	2.9
95.08584	32.7
95.09202	1.2
97.02861	3.7
97.06492	1.2
97.10140	1.1
99.04428	21.7
99.08053	3.8
101.04195	0.6
101.06004	6.1
101.09595	0.7
106.02827	0.8
107.08552	2.8
109.02842	1.0
109.10139	85.9
111.08044	2.7
111.11697	0.6
113.05989	19.0
113.09589	1.3
119.08559	1.2
120.08041	1.2
123.14767	0.5
124.03920	0.9
125.09610	0.9
127.03897	0.9
127.11183	6.4
129.09099	24.6
133.03934	0.6
136.07536	3.1
137.09598	19.2
143.10628	0.8
145.04820	0.8
155.10645	100.0
173.11697	73.3
177.04039	0.7
199.70003	0.6
360.60532	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
54.81403	0.8
55.01858	3.7
55.05503	13.1
57.03427	29.4
57.07069	10.1
58.33878	0.8
59.04998	6.5
61.02906	6.0
67.05489	25.7
67.45256	0.8
67.87963	0.9
69.03421	9.7
69.07053	17.2
71.04980	18.3
72.08139	6.5
73.02892	1.4
73.06519	2.0
73.61798	1.0
75.04474	1.0
79.05463	3.8
81.03393	4.5
81.06595	1.5
81.07033	26.6
83.04949	5.0
83.08602	20.7
85.02887	35.1
85.06525	33.5
87.04432	1.2
91.05473	1.6
91.89088	1.1
92.09151	6.8
93.07044	1.6
94.81303	0.9
95.04938	5.1
95.08589	17.4
97.02856	9.7
97.06504	6.2
97.10134	12.1
99.04434	4.7
99.08057	3.9
101.05978	4.1
105.03358	4.8
107.08588	2.2
109.02811	1.5
109.10138	91.1
110.10471	1.8
111.08004	1.7
113.05988	15.4
113.09629	1.2
115.07497	1.0
119.08534	1.1
120.08083	2.3
123.30086	1.0
125.09612	20.3
127.03876	5.7
127.07529	2.1
127.11172	7.9
129.09096	25.4
137.09602	22.2
143.10660	9.7
145.04926	4.7
153.12688	1.8
154.13040	3.9
155.07050	1.4
155.10646	100.0
171.13741	1.9
173.11693	86.1
219.40750	0.9
236.51344	0.9
335.17029	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46500	0.1
57.03438	0.3
61.02903	0.5
69.03412	0.9
73.02893	0.2
81.03383	0.3
85.02892	2.7
89.03900	0.8
92.08796	0.2
97.02856	1.3
98.97588	0.3
109.02847	0.2
109.06480	0.3
116.04954	1.4
126.12749	0.2
127.03902	0.2
136.52322	0.2
144.13802	0.9
155.06967	0.3
162.05469	100.0
163.05858	0.4
169.13121	0.2
190.04956	74.5
190.14395	0.5
191.05367	0.2
222.49376	0.2
316.54233	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27967	0.5
53.66516	0.5
55.01862	0.7
55.05505	1.2
57.03418	0.8
59.04993	0.6
61.02917	1.0
64.38773	0.5
67.05489	7.7
69.03428	5.2
69.07053	1.4
71.04991	2.2
71.16611	0.5
72.08129	0.9
73.02895	0.8
74.09710	0.7
74.67181	0.6
77.09663	0.7
79.05485	2.7
81.03398	1.3
81.07042	6.8
83.05004	1.3
83.08583	0.8
85.02890	14.7
85.06528	1.4
91.05461	1.5
92.08940	3.6
93.07041	4.6
95.04948	6.9
95.08586	13.8
97.02867	4.2
97.06538	5.3
98.10107	0.5
99.04447	2.7
107.08596	1.0
109.02859	1.3
109.06509	10.5
109.10150	21.9
111.04427	1.3
111.08078	9.5
113.05991	89.7
113.09652	3.3
119.08530	0.9
120.08092	1.2
125.05984	5.3
127.03925	2.7
127.07530	7.3
130.18365	0.6
135.43425	0.6
137.05959	5.6
137.09595	11.5
145.05026	0.9
155.07011	100.0
155.10626	24.8
173.08086	26.2
173.11690	14.4
175.06206	0.8
185.96667	0.6
188.06912	0.6
190.08629	1.5
206.24651	0.8
231.96185	0.6
283.74191	0.7
352.22556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.5
53.05089	0.5
55.01852	0.4
56.96546	0.6
57.03423	0.8
57.07059	0.4
58.43485	0.4
59.04973	0.5
59.25409	0.4
61.02888	0.5
66.09448	0.5
66.27430	0.5
67.05487	5.9
69.03397	2.6
71.04959	1.9
72.08119	1.2
79.05470	0.8
81.03414	0.8
81.07026	7.3
83.04974	0.8
85.02887	10.3
85.06511	1.2
91.05454	1.0
92.09116	0.7
93.07027	5.2
95.04944	6.6
95.08575	8.1
97.02862	2.3
97.06499	3.0
99.04426	1.0
107.08572	1.0
109.06490	7.9
109.10139	10.4
111.04430	1.0
111.08063	8.8
113.05984	84.8
113.09623	1.2
119.04844	0.7
119.08569	0.9
120.08086	2.0
123.04426	0.6
125.05984	3.0
127.03843	1.1
127.07522	5.8
127.11227	0.6
137.06032	3.9
137.08629	0.8
137.09590	11.0
154.63185	0.5
155.07002	100.0
155.10612	12.8
173.08057	22.7
173.11700	8.8
189.64742	0.5
194.83873	0.5
202.04507	0.5
209.17732	0.5
284.15778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01851	2.8
55.05508	45.1
57.03427	43.3
57.07068	23.1
66.41538	2.2
67.05150	2.8
67.05495	80.6
69.07058	29.9
71.04979	2.2
71.46690	2.2
71.62006	2.2
79.05051	4.6
79.05478	87.7
81.07042	84.9
81.07526	2.4
83.04957	3.1
83.08607	16.6
85.06525	11.1
91.05463	77.8
92.08649	7.3
92.09260	16.0
93.07025	100.0
95.04945	10.1
95.08587	53.7
97.06490	5.4
105.06995	67.1
106.65123	2.3
107.04940	23.5
107.08575	57.7
107.28066	2.3
109.06510	3.4
109.10153	29.0
111.08088	3.4
117.07021	12.9
119.08560	53.6
121.10106	43.6
123.07974	3.1
123.11681	5.0
129.06992	11.3
131.08539	23.1
133.10132	46.0
135.11632	27.1
143.08551	11.1
145.10097	23.5
147.11661	39.9
149.09572	3.6
149.13239	18.8
151.11211	3.6
157.10149	5.3
159.11623	20.0
161.13232	16.1
163.11194	11.4
163.14754	4.1
171.11714	10.4
171.22588	2.4
173.13307	12.7
175.14806	5.3
185.13226	11.5
187.14772	9.8
194.11729	73.8
203.14256	3.3
241.19467	18.9
250.17944	39.2
259.20477	38.4
277.21594	13.7
306.24234	36.2
333.24469	5.8
338.04834	2.8
351.21140	3.5
351.25183	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.2
51.08011	0.2
53.87365	0.1
55.05488	0.4
56.22783	0.2
56.96563	0.3
57.07050	0.2
63.98145	0.2
64.30597	0.2
67.05138	0.2
67.05482	1.3
69.07044	2.0
71.75677	0.2
77.03911	0.2
79.05480	1.6
79.56162	0.2
81.07026	1.2
83.08598	0.3
87.59021	0.2
91.05450	1.3
92.08961	1.3
93.07036	1.8
94.04179	1.0
95.08572	0.8
97.06528	0.2
100.07601	0.2
100.40501	0.2
103.59473	0.2
105.06956	1.4
105.35323	0.2
107.08568	1.4
109.10116	1.0
119.08536	1.1
121.10109	0.4
122.03613	3.7
131.08586	0.2
133.10133	1.3
135.11641	1.1
135.55121	0.2
137.05948	100.0
143.08609	0.2
151.11119	0.2
153.12770	0.4
170.15344	0.9
182.15385	2.4
259.20560	0.3
261.50891	0.2
306.20520	5.3
336.28467	0.2
351.25287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.2
55.05502	23.9
57.03431	9.5
57.07057	2.3
65.30315	1.3
67.05493	45.9
69.07052	17.0
76.56440	1.7
79.05473	89.9
81.07037	49.5
83.04955	1.5
83.08587	3.2
85.04344	1.4
85.06537	1.6
89.19168	1.4
91.05460	68.1
91.06004	2.9
92.09169	2.1
93.07020	100.0
95.04947	11.6
95.08572	33.8
97.06522	2.3
97.10150	1.6
105.04510	1.7
105.07008	70.5
107.08568	47.6
109.06532	1.9
109.10133	10.6
117.07008	13.2
119.08553	58.0
121.10129	33.8
123.11710	2.0
129.06944	10.1
131.08545	20.6
133.10110	40.2
135.11673	28.4
138.33968	1.5
142.07759	1.6
143.08540	12.3
145.10109	17.7
147.11664	27.5
149.09657	3.1
149.13217	15.0
152.09592	1.3
156.49718	1.6
157.10150	6.3
159.11670	14.1
161.13199	17.4
163.11159	2.8
163.14790	2.1
171.11699	7.1
173.13261	6.1
175.14825	9.4
185.13243	7.4
199.14851	6.1
231.21080	3.0
241.19415	16.7
259.20523	48.1
277.21686	6.2
293.74905	1.5
333.24271	6.1
351.25208	31.8
365.14093	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.7
55.01863	1.8
55.05500	21.3
57.03431	12.1
57.07069	3.1
67.05492	52.3
67.60507	1.4
69.03425	2.3
69.07052	18.7
75.04478	1.5
79.05471	88.8
81.07035	54.8
83.04954	1.9
83.08619	9.1
85.06535	2.0
91.05456	64.1
91.06000	2.6
92.08876	2.4
93.07022	100.0
95.04957	11.5
95.08589	34.3
97.06489	3.5
105.03334	1.8
105.07009	68.7
107.08576	53.0
109.06519	2.7
109.10148	10.9
117.06982	16.7
119.08561	50.1
121.10125	33.5
129.06964	12.4
131.08537	28.7
132.77930	1.6
133.10106	46.1
135.08038	2.3
135.11650	34.2
143.08548	14.2
145.10091	17.8
147.04390	3.2
147.11649	34.2
149.09558	2.3
149.13242	14.3
157.10144	8.3
159.11649	10.5
161.13211	22.2
163.11113	1.9
163.14815	3.6
171.11699	9.7
173.13271	8.8
173.55173	1.9
175.11288	1.7
175.14801	11.7
185.13197	9.2
199.14696	6.0
211.52310	1.9
231.20885	2.4
241.19383	14.5
259.20483	51.8
277.21561	7.6
333.24139	6.1
351.21213	2.6
351.25262	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.05502	18.8
57.03426	13.2
57.07064	3.6
63.02099	1.5
64.33813	1.9
65.03922	1.4
67.05492	41.3
68.54456	1.4
69.07058	17.7
71.04972	3.2
79.05476	84.2
81.07034	47.4
83.04964	2.5
83.08599	3.7
85.06531	3.7
86.49429	1.3
91.05459	62.6
93.07021	100.0
95.04942	9.0
95.08587	35.7
97.06472	2.7
97.10150	1.7
105.03391	1.4
105.07014	66.3
105.19270	1.7
107.08578	47.3
109.06522	2.1
109.10168	13.1
117.06326	1.7
117.07016	13.0
119.08554	44.7
121.10129	30.9
123.08108	2.1
123.11647	1.9
129.06990	10.6
130.85341	1.6
131.08537	24.7
133.10107	37.6
135.08058	2.5
135.11696	26.3
135.12701	2.3
137.09549	1.6
143.08591	11.7
145.10101	17.2
147.04369	2.2
147.11649	26.1
149.13243	15.2
157.10114	9.9
159.11627	12.2
161.13232	15.4
163.14847	2.4
169.10152	2.1
171.11688	6.5
173.13235	8.7
175.14806	7.8
184.08965	1.6
185.13222	9.3
199.14813	2.6
231.21037	3.1
240.93474	1.5
241.19548	15.8
259.20526	49.5
277.21533	9.0
333.24011	3.2
345.97717	1.6
351.21234	3.2
351.25146	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42889	0.8
53.03924	4.7
55.01863	1.0
55.05506	20.9
57.03423	8.2
57.07065	1.7
60.27013	1.0
65.03913	1.6
67.05143	1.4
67.05491	43.7
69.07050	15.3
71.04965	1.3
75.04446	1.4
76.55971	1.2
77.03865	1.0
79.05474	84.7
81.07034	46.2
83.04956	1.6
83.08604	5.3
91.05461	53.5
92.08705	2.1
92.63619	1.2
93.07021	100.0
95.04951	11.6
95.08584	29.0
97.06480	1.8
97.10124	1.0
105.04497	1.9
105.07001	56.8
107.08574	46.0
109.06486	5.0
109.10128	9.0
115.05405	1.7
117.06985	12.1
119.08557	43.2
121.10109	31.4
123.11680	1.2
129.06982	6.3
131.08531	15.2
133.10094	34.6
135.11664	23.3
142.07787	1.2
143.08505	7.5
145.10103	13.1
147.11664	26.7
149.09627	1.8
149.13199	11.4
151.11188	1.3
157.10057	7.2
159.11656	13.0
161.13202	11.7
163.14781	1.8
171.11644	7.2
173.13234	5.3
175.14810	4.6
179.25378	1.0
185.13200	7.1
187.65874	1.0
199.14793	2.3
213.16422	2.0
231.21111	1.9
241.19440	14.7
259.20520	42.4
259.23303	1.4
277.21536	3.8
308.41992	1.1
333.24130	5.4
351.25189	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.7
53.28374	1.4
54.81829	2.0
55.01867	1.9
55.05264	1.7
55.05502	24.1
56.45426	1.4
56.63599	1.3
57.03422	3.9
57.07058	2.3
58.32784	1.2
59.28999	1.4
60.58369	1.2
66.55620	1.5
67.05487	49.0
69.07056	16.4
70.51609	1.6
71.05003	1.9
75.04464	2.0
75.07694	1.4
76.87919	1.4
79.05473	81.0
81.07033	53.9
81.81920	1.5
83.08594	7.6
91.05460	92.7
92.09019	6.8
93.07020	100.0
95.04929	10.1
95.08569	33.1
97.06518	1.8
97.10180	1.8
99.08088	2.0
105.07005	87.6
107.08578	44.6
109.06485	2.8
109.10130	14.7
115.39259	1.7
117.07012	19.9
119.08544	52.6
121.10115	28.5
128.06168	2.5
129.06985	13.8
131.08545	24.6
133.10103	44.5
135.08121	2.1
135.11656	24.0
143.08562	11.7
145.10057	19.3
147.11670	37.9
149.13202	15.3
157.10095	11.6
159.11659	16.1
161.13214	16.9
163.11172	1.9
171.11705	14.8
173.13257	9.7
175.14764	11.2
177.12799	2.0
184.12148	1.7
185.13214	9.9
199.14781	7.1
199.21692	2.1
213.16402	1.8
231.20952	3.1
241.19487	12.9
259.20520	62.0
333.24033	2.7
340.27371	1.6
351.21979	2.4
351.25128	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	3.6
53.03925	2.5
55.01857	5.4
55.05502	35.6
57.03426	33.2
67.05142	3.5
67.05490	99.4
69.07053	37.6
71.04958	3.2
71.08249	4.7
71.08613	91.4
78.39409	2.1
79.05471	79.1
80.17937	2.7
81.03391	13.5
81.06596	4.0
81.07038	84.1
83.04958	15.8
83.08610	20.0
85.06518	2.9
91.05460	57.1
92.08955	5.1
93.07026	100.0
95.04951	23.0
95.08586	49.7
97.06540	18.4
97.10153	2.7
99.08070	33.8
105.06992	36.7
107.04949	5.7
107.08573	47.0
109.06492	9.1
109.10130	29.2
111.08105	3.3
113.09543	3.6
115.40749	2.5
117.06982	12.7
119.08556	35.6
121.10112	41.1
123.08052	5.0
129.07001	3.1
131.08507	5.7
133.10120	29.2
135.11671	42.8
143.08559	3.4
145.10098	8.8
147.11642	10.1
149.13213	13.1
151.11140	31.2
159.11694	4.4
161.13240	21.0
163.11151	4.1
164.78410	2.5
168.56943	2.5
171.11742	3.4
174.31297	2.7
179.12685	3.0
179.14276	90.7
235.16948	3.8
259.20490	4.5
277.21548	47.2
351.25195	69.4
351.29214	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52870	1.0
53.00315	1.6
53.03930	1.8
53.07121	0.9
55.05504	12.7
57.03412	2.4
57.07064	1.4
59.04969	2.0
59.30144	1.0
61.02915	1.8
61.17767	1.0
64.45979	1.0
66.66157	1.0
66.69391	1.0
67.05488	10.1
69.03405	6.3
69.07056	19.8
70.06561	1.3
71.04974	37.9
71.58588	1.1
73.02882	1.0
73.06534	10.3
79.05463	18.1
80.05772	1.0
81.03390	2.0
81.07034	62.3
83.04967	6.8
83.08607	4.9
83.61057	1.0
84.05299	1.5
85.02473	1.4
85.02901	17.5
85.06519	13.0
86.09650	1.6
87.04473	1.2
91.05445	8.4
92.08810	1.1
93.07019	40.7
94.07336	1.4
94.85269	1.1
95.04942	11.2
95.08584	16.0
96.05257	2.4
97.02857	5.7
97.06501	10.5
99.04423	2.8
105.03365	10.7
105.06994	1.5
107.08570	40.2
108.08910	8.9
109.10127	16.9
111.04458	2.4
111.08060	6.7
112.04772	1.6
119.08505	1.3
125.09636	4.0
127.03889	1.4
135.08018	5.4
135.11664	50.1
136.08383	2.3
136.11969	1.5
137.09589	2.6
143.70189	1.1
145.04916	1.4
148.59428	1.3
153.09097	15.5
153.12717	100.0
154.09390	12.4
155.10666	2.1
163.83139	1.2
171.10167	11.0
171.13753	4.5
172.10431	7.4
179.07019	5.9
189.05206	1.6
249.73456	1.1
351.10388	12.1
370.58649	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
53.00285	1.9
53.03931	0.9
55.01844	0.6
55.05317	0.3
55.05503	6.3
57.03421	1.8
57.07074	4.0
59.04986	3.8
62.47906	0.4
67.05499	4.1
69.03435	3.6
69.03752	0.5
69.07056	14.0
70.06556	0.5
71.04977	38.2
73.06541	10.1
79.05482	11.0
81.03387	0.9
81.07041	49.4
83.04949	0.7
83.08589	2.9
84.08115	0.6
85.02425	0.6
85.02891	9.9
85.06518	4.6
85.23486	0.5
91.05459	5.8
93.07024	32.8
95.04941	1.2
95.08586	7.1
97.02866	2.4
97.06507	5.0
99.04449	0.5
105.07000	1.2
107.08583	28.5
108.08894	0.5
109.02869	1.1
109.06502	1.0
109.10144	7.3
111.04428	0.5
111.08056	2.2
115.03843	0.5
119.08527	2.0
125.13244	1.0
127.03899	2.4
131.08578	0.6
135.08034	0.6
135.11679	38.5
145.04959	0.6
145.10107	0.5
147.04413	2.0
153.09085	2.2
153.12723	100.0
154.09399	0.6
155.10727	0.5
165.12685	0.8
171.10155	0.7
171.13802	2.3
195.33795	0.5
226.18242	0.5
315.13660	0.7
351.15536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.4
53.03939	5.1
55.01863	0.6
55.05512	0.5
57.03426	0.6
61.02916	0.5
65.03927	0.3
67.05480	0.6
67.57931	0.3
68.78928	0.3
69.03414	7.4
69.07053	1.7
71.04972	0.4
73.02887	0.3
79.05476	7.9
81.03401	11.8
81.07030	1.3
83.04962	0.6
83.08600	0.5
85.02886	11.0
85.06530	0.3
91.05452	3.8
92.08894	1.6
92.09414	0.4
93.07007	1.5
94.72399	0.3
95.04948	11.1
95.08577	0.6
97.02871	6.3
97.06504	1.2
99.04424	1.6
105.03376	100.0
105.04526	2.5
105.07022	1.5
106.03722	0.3
107.04932	0.3
107.08577	1.5
107.73799	0.3
109.02859	4.8
109.06454	0.5
109.10136	1.8
114.36828	0.3
119.04922	9.4
119.08572	1.1
121.10073	0.3
123.04404	9.5
123.08086	0.4
127.03901	4.4
131.08563	0.4
133.06538	0.4
135.07967	0.3
145.04916	0.6
147.04387	34.5
153.12714	0.6
171.13660	0.4
175.07518	0.5
194.45093	0.4
208.17662	0.3
221.01923	0.3
249.07549	7.8
267.08585	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	351.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.9
54.73857	0.4
55.01855	1.9
55.05502	6.6
56.96563	0.6
57.03412	2.1
61.02903	2.2
65.03922	3.9
65.05942	0.5
69.03121	0.4
69.03419	5.7
70.06570	0.9
72.08058	0.4
73.02898	0.6
79.05475	0.6
80.05009	1.0
81.03398	3.9
83.04967	3.3
83.28631	0.4
84.04466	0.5
84.08110	0.6
85.02417	0.8
85.02891	14.9
86.09645	0.6
87.04465	0.8
91.03947	0.5
92.09131	1.8
97.02868	4.5
98.06030	13.1
98.97546	1.9
107.04933	0.6
108.04465	4.6
109.02863	20.1
109.89851	0.5
111.04421	13.5
116.98634	0.9
119.38173	0.5
126.05479	13.6
127.03880	3.3
131.00203	0.5
136.03918	2.8
136.07582	0.5
137.02315	70.3
139.03838	0.5
140.04272	0.6
145.04942	1.1
146.05997	0.6
153.05440	0.6
154.04964	100.0
162.05492	1.2
171.06413	1.0
172.06003	38.3
190.05019	1.1
235.25223	0.5
237.02658	0.5
309.08768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37244	0.1
57.30305	0.1
61.05967	0.2
65.03917	0.3
65.46399	0.2
66.62905	0.2
69.03419	0.3
72.15626	0.2
78.46320	0.1
83.81770	0.2
85.02886	0.2
91.04878	0.3
91.05460	7.8
92.08661	0.4
92.09248	0.6
97.02867	9.6
119.04921	26.1
124.75871	0.2
125.17810	0.2
127.03905	0.3
131.09702	0.2
133.02847	0.2
139.03923	0.4
139.11174	0.2
144.50281	0.2
147.04390	100.0
175.50558	0.2
199.78204	0.2
354.98566	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96584	0.1
55.29548	0.1
55.94517	0.2
58.60677	0.1
62.92512	0.1
65.03921	0.6
66.24134	0.1
67.01838	1.2
67.63528	0.2
68.61956	0.1
70.06561	0.2
71.56107	0.1
81.03386	0.2
91.05459	12.2
92.08994	1.0
97.02864	2.3
99.04413	0.3
105.10696	0.2
109.02848	0.6
119.04919	35.0
122.20532	0.2
127.03876	2.1
132.08069	0.2
143.12109	0.2
146.05988	0.3
147.04388	100.0
148.04710	0.3
159.09123	1.1
188.07077	0.6
191.63744	0.2
273.07526	1.6
316.44855	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15927	0.1
54.81886	0.1
55.05502	0.1
65.03931	0.8
67.01855	0.2
91.05458	13.1
92.09260	0.2
108.55093	0.1
118.06484	0.2
119.04916	40.9
127.03876	0.5
130.06561	0.2
132.08058	0.8
132.08943	0.1
146.05974	0.6
147.04387	100.0
148.04698	0.2
159.09155	1.9
175.78360	0.2
188.07013	0.3
210.85201	0.1
228.09116	0.2
270.84888	0.2
273.07385	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86653	0.1
51.02359	0.1
53.03952	0.1
55.05489	0.1
58.31760	0.1
65.03930	0.4
67.05506	0.2
69.03403	0.5
69.07049	0.6
71.04975	0.2
79.05455	0.2
79.19969	0.1
81.03393	0.1
81.07021	0.5
83.02293	0.1
85.02873	0.8
85.13688	0.1
91.05456	7.7
92.09115	0.8
93.07018	1.0
94.51807	0.1
95.04963	0.1
95.08571	0.2
97.02865	9.9
97.06509	2.0
97.50482	0.1
98.06837	0.2
105.06958	0.1
107.08595	0.9
108.08879	0.1
109.02895	0.2
109.10130	0.2
117.07049	0.1
117.93799	0.1
119.04913	26.8
120.29181	0.1
122.71349	0.1
127.03897	0.4
135.11667	0.6
136.11977	0.1
139.03893	0.8
144.74338	0.1
147.04381	100.0
148.04672	0.2
153.12701	0.6
154.13083	0.2
163.27713	0.1
165.05371	0.2
316.42200	0.1
351.10535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.8
57.03407	0.2
59.04974	0.3
61.02909	0.3
64.94801	0.1
65.03918	0.3
67.05484	2.2
69.03415	1.6
69.07059	1.4
71.04967	0.8
75.61648	0.1
76.54851	0.2
79.05466	0.8
81.03384	0.9
81.07042	1.9
82.07324	0.2
83.08589	0.4
85.02886	4.0
85.06059	0.2
85.06531	3.7
86.03211	0.3
91.05460	8.5
92.08858	0.4
93.07020	4.1
94.07355	0.7
95.04903	0.3
95.08584	1.6
97.02866	11.1
97.06477	0.3
99.04414	0.3
105.03428	0.3
105.07003	0.3
107.08582	4.0
108.08881	0.7
109.02845	0.4
109.06509	0.2
109.10132	2.8
110.10453	0.7
111.08046	0.2
119.04916	30.1
120.08067	1.0
123.11618	0.2
127.03916	1.2
127.11176	0.7
128.04283	0.2
129.06824	0.2
133.10123	0.2
135.11668	5.2
136.11993	1.5
139.03877	0.7
145.04939	0.9
147.04387	100.0
153.12721	2.5
154.13074	0.7
165.05417	0.2
198.17015	0.2
209.90218	0.2
295.89371	0.2
305.77454	0.2
329.30801	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57804	0.1
64.33128	0.1
65.03919	0.6
67.05508	0.1
69.03413	0.4
71.04955	0.2
73.75502	0.1
79.05427	0.1
81.03413	0.2
81.07038	0.2
83.04974	0.1
84.98925	0.1
91.05460	8.4
92.08971	0.1
97.02870	10.9
109.02899	0.1
109.72538	0.1
111.04406	0.5
119.04919	30.3
127.03872	0.5
139.03860	0.6
147.04387	100.0
148.04723	0.2
163.11124	0.1
165.05408	0.2
170.02776	0.1
181.12146	0.2
218.06406	0.1
283.15231	0.1
295.48474	0.1
351.10504	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82258	0.2
62.15364	0.1
65.03922	0.4
69.03410	0.3
72.13287	0.1
81.03442	0.2
82.52149	0.1
91.05453	6.9
92.09162	0.9
97.02867	9.3
105.38586	0.2
109.02913	0.2
114.38085	0.2
119.04913	26.1
127.03873	0.3
132.80400	0.2
139.03882	0.6
147.04382	100.0
204.83942	0.2
336.43781	0.2
341.12015	0.2
349.61127	0.2
351.10742	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80801	0.1
55.01856	0.2
55.05490	0.2
64.87544	0.1
65.03930	0.2
67.01855	5.1
67.05497	0.1
67.50728	0.2
69.03413	0.3
69.07064	0.8
71.04975	0.9
77.94347	0.2
79.05466	0.2
81.03397	0.8
81.07026	0.2
85.02885	1.4
91.04884	0.3
91.05459	9.7
92.08893	1.0
93.07008	1.3
94.07343	0.3
95.08568	0.3
95.24889	0.1
97.02871	0.6
97.06499	0.2
99.04418	1.1
105.07021	0.4
107.08568	1.6
109.02866	1.5
119.04918	29.1
127.02965	0.3
127.03889	7.7
130.29266	0.1
135.11682	2.6
136.12009	0.9
145.04964	0.2
147.04387	100.0
148.04709	0.2
153.12737	0.3
154.66827	0.2
165.05476	0.3
212.34966	0.2
215.97014	0.2
255.06291	0.3
273.07471	4.8
291.81805	0.2
296.20404	0.2
351.10541	0.2
369.37885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18830	0.3
53.03924	0.8
55.01858	1.1
55.05510	3.8
57.03432	0.6
57.07054	0.8
59.04977	0.7
61.02893	2.4
67.05494	3.9
69.03404	4.9
69.07056	5.6
71.04955	2.3
71.57193	0.5
73.02864	0.5
74.23504	0.4
79.05469	30.5
81.03390	2.2
81.07034	7.8
83.04954	1.1
83.08607	0.7
85.02890	17.6
85.06523	0.4
86.09669	0.5
87.04447	0.5
90.57292	0.4
91.05436	6.0
92.08922	0.6
93.07021	62.7
95.04952	4.2
95.08574	5.3
97.02857	5.3
97.06502	3.0
99.04418	1.0
105.03376	1.7
105.04477	1.0
105.07007	2.0
107.08571	49.8
109.02871	1.1
109.06487	0.6
109.10140	6.5
110.10483	0.6
119.08562	1.0
123.11738	0.5
124.12051	0.6
125.09605	3.9
127.03871	4.4
133.10068	0.7
135.08046	2.1
135.11661	100.0
142.08630	2.1
145.04944	3.1
153.09113	4.1
153.12712	6.2
157.86795	0.4
163.05960	2.1
171.10101	2.0
188.84915	0.5
297.17050	0.6
300.11041	0.6
357.10818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01884	0.5
55.05507	0.8
57.03435	0.8
59.61660	0.4
60.48894	0.5
67.05495	2.5
69.03412	0.9
69.07051	2.6
71.10275	0.5
77.03910	1.0
79.05472	1.1
81.03395	4.4
81.07027	5.8
82.07381	0.6
85.02896	1.3
85.06517	0.8
85.19530	0.5
91.05456	9.1
92.09010	4.3
93.07022	1.2
95.04958	0.7
95.08591	0.6
97.02871	5.3
97.10158	0.7
105.03380	1.3
105.07014	0.9
107.08574	1.1
109.02863	0.9
109.06519	0.6
109.10161	1.1
119.04917	27.3
119.08579	2.3
123.11710	2.3
133.02818	13.5
133.10120	1.2
146.58662	0.7
147.04385	100.0
151.03874	8.0
151.11229	0.7
171.11804	0.6
189.09050	20.0
201.14799	0.9
207.10176	0.9
333.13306	1.0
351.21335	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68248	0.5
53.03930	2.6
55.01863	3.3
55.05490	1.3
57.03424	7.7
57.07039	0.6
59.04982	0.7
61.02912	11.1
63.85460	0.5
67.05479	3.5
69.03416	18.9
69.07053	4.3
71.04969	4.5
73.02902	4.8
75.24416	0.6
79.05475	5.7
81.03403	9.2
81.07034	7.5
83.01335	0.6
83.04966	3.2
83.08607	0.7
83.38850	0.6
85.02888	100.0
87.04443	3.6
91.03938	7.1
91.05453	3.3
92.08872	0.8
93.07025	26.9
95.05010	0.6
95.08582	9.1
97.02869	22.9
97.06512	3.0
97.07117	0.6
97.10138	0.6
99.04458	4.7
101.27010	0.6
105.01934	0.6
105.07025	0.8
107.08576	37.6
108.53796	0.6
109.02856	8.0
109.10134	13.6
119.04926	3.3
123.11673	2.6
127.03889	21.6
135.11668	49.3
145.04932	28.2
147.04381	12.1
153.12720	22.4
159.39664	0.6
162.63040	0.7
163.05977	10.1
181.07019	0.7
297.16910	16.5
315.18030	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	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16491	1.2
53.03944	1.3
54.81773	1.4
55.01851	2.2
55.05502	6.4
57.03425	5.3
57.07057	1.9
61.02913	6.1
67.05490	8.8
68.92355	1.1
69.03409	12.7
69.07046	7.1
71.04977	78.7
73.02892	6.4
79.05468	17.0
81.03390	5.2
81.07040	100.0
83.04990	1.5
83.08601	8.6
85.02888	69.7
85.06529	34.1
87.04432	1.6
91.03924	2.5
91.05473	16.1
92.08905	3.2
93.07022	73.9
95.04925	1.8
95.08585	44.0
97.02857	17.8
97.06509	5.0
102.48486	1.3
105.07007	7.5
107.08579	84.4
107.09303	3.1
109.02852	7.1
109.06491	1.9
109.10139	7.9
115.03912	1.7
119.08592	1.5
127.03884	13.6
135.11674	51.1
137.13237	27.6
145.04932	15.8
153.12706	9.8
163.05991	3.3
169.13441	1.5
233.10188	2.2
252.01906	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.7
53.03925	0.5
54.55719	0.3
55.01856	0.3
55.05502	3.0
55.56464	0.3
57.03406	0.5
57.07056	0.7
59.04995	3.3
59.61123	0.3
61.02913	0.5
66.61143	0.3
67.05485	1.6
69.03413	1.7
69.07056	5.2
71.04977	25.3
73.06535	6.6
79.05469	5.4
81.03390	0.5
81.07037	31.8
83.08585	0.8
85.02894	8.5
91.05455	2.3
92.09106	0.9
93.07021	27.6
95.08581	5.0
97.02859	1.9
97.06513	2.6
105.06989	0.7
106.85491	0.3
107.08575	22.8
107.62368	0.3
109.02869	0.6
109.10142	7.2
111.08051	0.7
119.08544	0.7
127.03911	0.6
135.11667	43.7
145.04901	0.4
147.04375	1.4
153.12718	100.0
171.13754	0.8
297.17001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
53.99949	0.3
55.01851	1.4
55.05505	3.9
56.37074	0.3
57.03426	0.6
57.07047	0.6
61.02924	0.9
67.05491	5.2
69.03404	2.1
69.07046	1.6
71.04974	2.1
73.02908	0.7
79.05470	10.2
80.53222	0.3
81.03384	0.6
81.07040	4.3
83.04965	3.1
85.02897	6.3
85.06528	3.2
86.09690	0.7
87.04440	0.8
90.43862	0.3
91.05455	5.6
92.08750	1.3
93.07027	19.0
95.04948	18.7
95.08614	2.7
97.02863	2.2
97.06502	1.7
99.04442	4.0
101.04243	0.5
105.07015	3.6
107.04929	2.2
107.08578	48.7
108.08940	0.6
109.02856	0.4
109.06476	2.7
109.10131	2.2
111.04427	2.1
111.08057	1.7
113.06007	0.4
117.07005	4.1
117.92662	0.3
118.43790	0.3
119.06033	0.7
119.08548	3.1
120.09353	0.6
123.08109	0.5
123.91454	0.4
125.06045	0.4
125.09624	3.6
130.92676	0.3
135.08049	11.3
135.11671	100.0
137.09625	0.5
145.04930	0.5
153.09087	28.0
153.12698	3.8
171.10124	18.3
189.13705	0.4
197.45432	0.3
239.92436	0.4
309.26987	0.5
331.75226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54753	0.3
52.54992	0.4
53.03265	0.3
53.03924	0.6
55.01862	1.7
55.05509	0.5
56.53205	0.4
57.03419	0.8
61.02907	2.8
62.00502	0.3
65.03922	6.2
68.99780	2.9
69.03419	4.9
70.06564	0.4
73.02877	0.5
81.03411	3.9
83.04971	3.9
85.02886	18.3
87.04450	0.4
91.03951	0.5
92.08763	0.7
92.09241	0.6
93.03392	4.8
97.02866	5.8
99.04404	0.4
101.01594	0.4
103.20701	0.4
109.02867	1.9
111.04419	45.7
121.02850	0.5
121.03954	2.9
127.03885	2.5
139.03876	100.0
145.04918	1.6
156.04172	4.0
171.06482	68.9
180.08638	0.5
288.36719	0.4
353.37958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
54.49746	0.7
55.05510	8.9
57.07066	1.2
67.05486	9.3
69.07056	16.3
79.05463	6.1
81.07040	10.7
82.83441	0.8
83.04980	1.5
83.08595	5.7
91.05445	1.5
92.08914	1.3
93.07005	5.9
95.08588	10.7
97.06499	2.0
97.10140	1.0
105.07005	5.6
107.08578	4.8
109.06507	13.7
109.10133	4.9
109.44897	0.8
111.08073	4.1
119.08547	4.2
121.10120	5.5
123.08043	100.0
123.11694	1.7
125.09631	1.0
131.08556	1.2
133.10141	2.1
135.08031	8.9
135.11664	3.8
137.09589	6.6
147.08043	1.1
147.11670	1.7
149.09583	1.8
149.13274	1.2
150.50192	0.8
158.59491	1.0
159.11636	1.7
160.59607	1.1
161.13194	1.1
163.11238	1.1
179.14297	3.8
233.18904	0.9
273.42941	1.5
275.19852	1.6
293.21005	23.4
331.26181	3.9
332.45825	0.9
349.27307	89.8
358.77878	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.87685	0.4
55.01861	1.2
55.05505	8.8
57.07053	2.2
67.05498	6.5
69.07052	15.7
71.04971	1.3
73.69864	0.4
78.37315	0.5
79.05466	5.0
81.07043	11.5
83.04970	1.0
83.08593	4.9
85.06539	1.1
91.05461	2.7
92.08995	4.2
93.07024	7.7
95.08581	10.3
97.06508	3.2
97.10171	0.9
105.06997	3.6
105.91821	0.5
107.08582	7.7
109.06503	18.9
109.10152	6.4
111.08074	3.2
119.08558	5.1
121.06490	0.7
121.10114	4.4
123.08045	100.0
123.11681	2.7
131.08534	0.7
133.10106	3.4
135.08034	8.0
135.11685	2.8
137.09584	3.8
137.13179	0.9
140.63986	0.5
142.63283	0.6
145.10127	1.0
147.11655	3.5
149.09573	2.3
149.13260	2.2
151.11115	0.6
159.11568	0.7
161.13199	0.9
163.11160	0.7
165.12665	0.6
177.12753	0.5
179.14299	9.3
246.44698	0.5
248.90282	0.6
275.20010	2.0
289.25330	0.8
293.21045	19.8
303.39157	0.5
331.26221	2.9
349.27304	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	349.2371
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
52.40329	4.2
53.88043	3.7
55.01871	7.0
55.05500	50.0
56.96552	19.0
57.03411	23.4
66.54163	5.2
67.05490	86.0
69.03418	5.6
69.07059	61.1
71.04961	5.7
79.05475	81.3
81.03392	5.3
81.07037	99.5
83.04967	7.0
83.08612	20.8
91.05453	100.0
93.07007	75.7
95.04945	20.5
95.08591	56.7
97.06521	8.4
97.10149	7.5
105.07019	80.7
107.04942	7.0
107.08575	52.3
109.06521	8.7
109.10129	18.8
117.06981	27.4
119.08545	49.0
121.10112	10.4
125.09629	5.5
129.06975	7.5
131.08519	55.1
133.10110	42.6
135.07997	5.5
135.11702	19.2
137.99808	4.7
143.08542	9.1
145.10129	64.2
147.11729	35.6
149.09612	8.9
157.10057	5.9
159.11649	18.7
161.13254	5.6
163.11162	7.1
171.11613	5.8
173.13150	6.0
183.11620	5.7
189.11267	5.0
197.13200	5.4
257.18884	19.7
260.07135	5.4
275.19891	45.8
285.10126	5.9
299.50891	4.8
349.19702	47.0
349.23651	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05490	2.5
57.07067	5.4
60.81218	0.4
62.97052	0.3
63.29770	0.3
67.05478	2.6
69.07036	1.8
71.08592	1.5
77.50684	0.4
79.05450	2.6
81.07032	5.4
83.08601	0.5
85.06519	2.4
91.05450	0.8
93.07014	2.1
95.08571	5.2
105.06997	0.9
107.08576	1.6
109.06496	20.9
109.10123	0.8
111.08030	0.6
119.08540	1.6
121.10117	1.5
122.07268	1.9
123.08037	28.4
133.10109	0.7
135.07997	3.7
137.09630	0.5
137.13232	0.5
138.54037	0.4
145.10153	0.4
167.14148	0.6
179.14267	100.0
180.14455	0.4
193.15813	1.8
243.54892	0.4
331.26263	1.8
349.27295	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03936	8.1
53.13481	1.4
55.01868	12.9
55.05506	55.5
56.96550	8.3
57.03434	21.4
57.07065	2.9
65.03915	1.6
67.05496	46.9
69.03417	1.9
69.07056	17.4
71.04969	3.3
78.12383	1.5
79.05477	100.0
81.03395	7.2
81.06596	2.5
81.07039	44.0
83.04971	20.6
83.08607	8.0
85.15955	1.3
91.05460	40.4
93.07020	62.6
95.01324	1.5
95.04955	19.5
95.08576	21.8
97.06512	3.4
97.10138	11.1
105.07001	34.6
107.04951	32.5
107.08568	34.9
109.06504	6.2
109.10141	14.3
111.08031	1.9
117.07017	13.7
119.08566	23.3
121.06488	2.4
121.10137	16.9
123.08024	2.6
125.09577	6.7
131.08548	17.0
133.10088	12.9
135.08035	3.5
135.11714	2.8
142.86789	1.7
143.08545	2.6
145.10127	11.1
147.11681	7.2
149.09592	31.7
155.08589	2.3
156.21207	1.7
157.10100	2.0
159.11673	7.9
161.13252	1.6
169.12210	1.9
173.13393	1.9
179.14159	2.5
191.14331	2.0
209.02209	1.5
209.15312	2.5
229.19463	2.3
243.14485	1.7
257.18900	7.0
275.20032	26.6
285.40866	1.5
287.65778	1.9
313.68839	1.4
323.68985	1.6
327.33197	1.6
344.45023	1.5
349.16495	1.9
349.19928	3.6
349.23669	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.6
55.01856	7.3
55.05504	35.4
55.33012	6.8
56.96560	86.1
57.03425	44.2
67.05495	83.2
69.07047	47.4
79.05480	67.7
81.07036	66.8
83.04977	9.8
91.05480	70.4
92.05797	10.1
92.09103	15.9
93.07025	90.4
95.04958	12.5
95.08584	60.6
105.06979	73.7
105.54520	7.6
107.04958	14.8
107.08575	37.6
107.14812	8.6
109.06525	32.9
109.10160	11.8
116.97250	10.6
117.06989	14.9
119.08572	19.2
121.06445	18.9
121.10127	16.7
123.08046	10.2
128.98544	10.1
131.08571	36.2
133.10088	33.9
135.11662	8.7
145.10088	32.1
147.11691	14.2
149.09625	11.3
149.21289	8.0
151.11177	9.2
157.10118	8.5
159.11700	8.7
165.53906	9.2
173.22830	7.8
199.06435	15.9
213.07983	18.4
217.07440	19.5
229.07443	94.5
231.08992	57.5
247.08467	77.3
257.18930	11.6
275.19946	89.5
278.34872	8.1
306.02878	8.1
349.16922	100.0
349.23575	64.9
367.17789	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03112	1.5
53.00309	3.2
53.03934	25.0
55.01857	20.8
55.05501	32.6
57.03421	31.9
57.03643	1.6
57.07075	1.9
60.94266	1.8
61.86126	1.9
65.03942	3.2
67.05486	89.3
67.05846	3.3
69.03417	3.1
69.07051	74.4
71.04979	4.2
72.39547	1.8
77.13376	1.9
79.05473	83.3
81.03384	49.2
81.03794	2.4
81.07028	95.6
83.04962	17.1
83.08613	10.1
88.03269	1.8
91.05458	100.0
92.08921	9.4
93.07024	68.2
95.01289	36.4
95.04938	34.4
95.08579	71.1
97.02864	2.0
97.06512	16.1
97.10139	1.8
100.25967	1.9
103.05457	4.1
105.07002	91.6
107.04921	48.3
107.08565	33.7
109.06525	9.1
109.10149	10.8
115.05441	2.5
117.06988	30.8
119.08544	51.9
121.06523	8.8
121.10136	10.5
123.04451	7.8
123.08060	9.6
129.07021	4.6
129.40631	2.3
130.07779	3.0
131.08540	36.9
133.06488	2.3
133.10103	46.2
133.11037	2.8
135.08052	3.7
135.11685	11.8
137.09633	2.2
141.06987	4.5
143.08554	4.5
145.06493	7.3
145.10068	22.9
147.11653	17.9
149.09644	9.9
149.13232	7.7
157.10078	2.1
159.11687	20.6
161.09483	2.1
161.13251	2.6
169.10043	2.8
173.13274	3.4
177.12755	8.4
179.14241	17.6
187.11223	4.4
207.02763	1.8
233.15836	2.0
239.18111	1.9
241.14337	2.7
247.20581	3.1
257.19049	7.5
275.19986	47.5
349.23621	59.5
349.27621	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25004	1.5
50.47079	1.7
53.03923	3.2
55.01856	8.8
55.05506	21.9
57.03429	91.1
63.93895	1.6
65.03915	2.1
67.05492	57.1
69.07042	13.4
71.04968	2.1
75.12069	1.8
78.50652	2.2
79.05478	64.1
80.05761	1.6
81.07037	43.2
83.04932	3.3
83.08614	7.5
83.72099	1.8
85.06533	22.3
91.05460	77.5
92.08854	3.0
92.60758	2.1
93.07021	53.0
95.04955	17.0
95.08567	28.3
97.06482	2.9
99.04421	9.2
105.07021	50.6
107.04947	7.8
107.08569	29.4
109.06492	20.3
109.10120	10.1
111.08118	2.6
117.06985	26.0
119.08552	41.3
121.06435	3.1
121.10123	19.0
129.06999	7.4
130.07843	2.1
131.08557	31.3
133.10114	21.1
135.08102	4.6
135.11667	4.7
137.09573	2.9
143.08530	7.8
145.10059	13.8
147.11713	8.1
149.09581	2.6
149.13297	2.6
157.10071	2.6
159.11656	7.9
161.13176	2.9
173.13162	3.0
185.13295	7.7
201.16353	3.4
209.15186	2.4
219.17392	100.0
275.19965	13.2
291.04489	2.1
349.19833	4.0
349.23663	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
53.13481	1.4
55.01868	12.9
55.05506	55.5
56.96550	8.3
57.03434	21.4
57.07065	2.9
65.03915	1.6
67.05496	46.9
69.03417	1.9
69.07056	17.4
71.04969	3.3
78.12383	1.5
79.05477	100.0
81.03395	7.2
81.06596	2.5
81.07039	44.0
83.04971	20.6
83.08607	8.0
85.15955	1.3
91.05460	40.4
93.07020	62.6
95.01324	1.5
95.04955	19.5
95.08576	21.8
97.06512	3.4
97.10138	11.1
105.07001	34.6
107.04951	32.5
107.08568	34.9
109.06504	6.2
109.10141	14.3
111.08031	1.9
117.07017	13.7
119.08566	23.3
121.06488	2.4
121.10137	16.9
123.08024	2.6
125.09577	6.7
131.08548	17.0
133.10088	12.9
135.08035	3.5
135.11714	2.8
142.86789	1.7
143.08545	2.6
145.10127	11.1
147.11681	7.2
149.09592	31.7
155.08589	2.3
156.21207	1.7
157.10100	2.0
159.11673	7.9
161.13252	1.6
169.12210	1.9
173.13393	1.9
179.14159	2.5
191.14331	2.0
209.02209	1.5
209.15312	2.5
229.19463	2.3
243.14485	1.7
257.18900	7.0
275.20032	26.6
285.40866	1.5
287.65778	1.9
313.68839	1.4
323.68985	1.6
327.33197	1.6
344.45023	1.5
349.16495	1.9
349.19928	3.6
349.23669	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72415	0.6
63.51676	0.7
92.09146	5.3
105.06995	1.0
110.66441	0.6
119.08549	3.6
147.08005	7.7
154.17154	0.7
167.94022	0.7
179.14197	1.1
313.93082	0.7
349.23450	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	349.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90937	0.6
92.08755	1.1
92.09298	0.9
119.08569	0.7
128.72282	0.7
147.08023	1.1
156.78928	0.6
199.92128	0.8
211.59081	0.6
349.23419	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	349.1981
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
52.41159	1.2
53.94156	1.3
55.05497	3.1
57.03431	2.6
61.65410	1.3
64.28625	1.4
67.05488	12.3
69.07052	3.6
79.05476	10.6
81.07047	7.7
83.08599	1.9
85.02936	1.4
85.31265	1.5
91.05457	10.3
92.08637	1.8
92.09137	6.7
93.07018	6.8
95.04927	1.6
95.08571	6.7
97.16060	1.6
105.06996	9.4
107.08571	9.5
109.10142	2.6
118.81841	1.5
119.08559	7.2
121.10176	1.9
131.08517	2.3
133.10143	3.5
145.10117	7.5
149.53804	1.4
159.11665	1.5
175.03905	6.0
176.04227	2.1
208.86763	1.4
220.12488	1.4
224.36076	1.5
285.10168	2.4
349.15475	3.6
349.19815	100.0
349.23645	8.0
349.31689	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90318	1.2
53.03932	1.4
54.82189	1.4
55.01862	1.3
55.05507	12.1
57.03419	6.0
57.07065	3.3
61.93994	1.6
65.06567	1.3
67.05141	2.8
67.05493	57.0
67.27804	1.3
69.03413	6.2
69.07043	10.7
71.04613	2.8
71.04977	69.8
71.34772	1.6
75.63548	1.5
78.38747	1.5
79.05460	12.8
81.06550	1.6
81.07038	47.6
83.04961	9.8
83.08607	3.1
85.02888	9.3
85.06528	100.0
91.05461	37.7
92.09126	8.9
93.07033	24.4
95.04927	7.7
95.08587	11.6
97.02847	2.0
97.06490	3.2
97.36770	1.4
99.04408	2.7
100.11228	2.8
105.07018	48.8
107.08575	43.6
109.02869	1.9
109.06505	9.6
109.10143	79.0
110.10484	14.8
111.08098	2.8
113.05998	2.4
121.10091	1.5
121.42626	1.5
123.08015	2.5
123.11688	16.6
125.09592	3.5
128.34755	1.4
133.10101	95.2
135.11552	1.6
151.11159	66.8
152.11513	6.4
152.65642	1.7
165.15877	1.6
169.12198	64.0
170.12563	12.3
182.15401	1.5
187.13263	81.2
278.55106	1.7
300.66455	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40999	0.8
53.03939	2.3
55.01852	1.4
55.05505	29.4
57.03426	1.1
57.07064	4.3
58.74703	1.0
59.04987	7.2
61.02917	33.7
67.05489	16.4
69.03420	10.9
69.07054	11.5
71.04982	11.0
71.18516	0.9
79.05482	7.3
81.03394	7.3
81.06674	1.7
81.07041	61.4
83.04968	38.6
83.08606	100.0
85.02890	27.3
85.06547	4.2
87.04441	14.4
87.64552	0.9
91.05471	6.9
92.09116	2.2
93.07025	11.4
95.04963	10.6
95.08575	12.6
97.02884	5.4
97.06523	4.8
99.04441	1.8
101.05991	1.2
105.03366	4.1
105.05487	26.0
105.06999	10.4
107.08579	17.0
109.02882	5.2
109.06528	5.8
109.10143	36.9
109.10855	1.6
111.04421	1.2
111.08083	4.3
112.40832	1.0
113.05993	32.0
121.06503	1.0
121.10112	4.7
123.08076	1.7
123.11685	63.1
125.09587	2.1
127.03903	4.3
127.11179	12.5
131.07014	4.8
131.08543	1.4
132.79948	1.0
133.10107	15.4
137.02313	29.3
138.02647	21.9
145.04964	2.2
145.06485	0.9
145.10139	1.2
151.11139	19.0
160.65422	0.9
167.07138	1.1
169.04950	11.8
169.12189	12.5
170.05251	14.1
174.05524	4.5
175.05890	2.2
187.13280	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	349.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18302	12.4
53.72997	10.4
54.81903	12.3
55.05511	19.0
56.33352	11.4
56.96540	18.2
59.19186	11.2
60.95844	22.3
66.46790	15.6
67.05484	16.9
68.19367	11.5
69.05350	13.0
69.07040	12.5
74.07640	12.0
79.05469	20.1
81.07047	34.4
91.05460	18.1
92.09173	100.0
95.08586	26.7
105.06960	23.7
107.08601	13.6
109.89243	13.3
113.64938	15.1
119.08563	22.7
149.73807	13.4
266.53470	14.9
349.17197	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	349.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27679	17.5
56.96552	100.0
66.41380	21.9
67.05495	35.1
68.76550	17.5
69.07055	33.7
72.44044	25.6
81.07008	29.9
83.17236	23.8
83.38979	23.8
93.07027	54.8
95.08640	30.7
105.07033	26.5
107.08564	29.8
109.10120	26.7
119.08531	28.8
235.65331	31.3
356.54401	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	349.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	31.4
56.96564	100.0
57.03426	40.4
61.10635	6.3
67.05498	59.4
69.07048	47.5
79.05475	66.7
81.03400	8.5
81.07040	82.5
83.04984	10.6
84.86279	7.1
85.06498	6.9
86.81658	7.6
91.05463	72.7
93.07016	71.7
93.16561	7.9
95.04914	12.3
95.08599	37.2
105.07018	49.4
107.04958	12.4
107.08569	16.9
108.65347	8.9
109.06477	16.0
117.07035	10.1
119.08539	30.9
121.06516	12.2
121.10062	15.5
123.08109	9.6
131.08575	16.1
133.10110	34.9
135.08047	8.2
137.02762	10.2
137.09605	10.3
145.10120	17.3
147.11638	17.8
149.09575	10.8
159.11713	15.4
163.11295	8.8
166.62480	7.9
199.06381	16.3
201.07942	9.2
201.16682	8.8
213.07983	41.1
217.07477	37.1
219.09053	10.5
229.07451	59.7
231.09042	65.4
243.09084	12.4
247.08519	69.5
275.19949	81.6
308.93802	9.0
349.17096	81.7
349.23630	50.6
367.17993	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97853	9.3
51.42895	8.8
55.05511	24.9
56.96547	23.5
57.03427	22.6
61.07162	9.0
67.05492	63.5
69.07053	49.3
79.05476	54.8
81.07031	100.0
87.15348	12.1
91.05471	65.5
92.08993	40.6
93.07027	71.3
95.04967	19.0
95.08599	55.7
105.07028	62.6
107.04996	14.9
107.08591	50.6
108.51759	10.3
109.06596	14.3
109.10178	17.8
119.08569	54.4
121.06506	12.4
121.10178	13.2
131.08629	39.9
133.10127	55.0
138.42009	9.9
144.70427	10.3
145.10120	16.7
149.09679	13.4
163.18680	11.0
216.19753	10.8
275.20047	96.2
276.67273	11.5
299.80646	12.0
349.17664	43.9
349.23734	60.9
354.39661	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	349.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05465	0.4
55.15842	0.4
56.05012	0.5
56.78614	0.4
57.03406	0.6
59.06131	0.4
67.05479	0.7
69.03399	1.9
70.06577	0.6
70.78431	0.4
71.04969	0.5
73.02892	0.4
74.06051	1.9
76.55968	0.5
79.05439	0.6
81.03416	0.4
81.07041	3.9
81.32833	0.5
84.04482	0.8
84.08147	0.7
85.02885	3.5
86.09671	1.8
91.05429	0.4
92.08858	0.9
93.07005	1.7
95.08585	0.6
96.95179	0.4
97.02890	0.6
98.97555	0.6
99.31545	0.4
105.07012	1.0
107.04941	1.0
107.08560	0.5
109.06521	0.5
109.74253	0.4
110.08915	0.4
111.08079	1.8
111.84151	0.5
121.00722	0.5
121.10158	0.5
122.07104	1.8
126.05461	1.8
127.05827	0.6
130.06503	1.1
132.08063	2.7
133.06468	1.0
139.01822	1.6
144.06561	3.4
145.06871	0.8
151.07487	1.0
153.07729	0.4
159.09123	3.2
161.03040	0.5
163.01758	0.6
169.08553	0.7
169.12216	0.6
170.06018	0.8
170.08035	0.6
181.02831	3.9
187.09404	11.3
189.08701	1.7
190.21036	0.4
217.09148	0.6
224.19582	0.5
261.08154	2.5
289.07626	2.7
307.08600	2.0
349.09113	5.7
349.14590	100.0
350.14832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26032	0.4
57.03411	0.5
57.07051	0.4
57.57096	0.4
69.03403	1.8
69.48669	0.4
70.06564	0.7
71.04980	0.6
74.06051	2.8
78.29346	0.4
79.05456	0.6
79.78816	0.4
81.07025	4.9
83.04966	0.5
84.04472	2.4
85.02882	3.1
85.78773	0.4
85.97313	0.5
86.09682	2.6
88.03954	1.0
92.08728	1.4
92.09306	1.0
93.07041	0.9
95.04935	0.6
95.08585	0.5
97.02851	0.9
100.07597	0.5
105.07011	1.9
107.04955	0.9
107.08587	0.8
109.06487	1.8
111.04417	0.6
111.08040	1.7
122.07123	0.8
123.07980	0.7
124.11259	0.5
126.05502	3.4
127.03901	0.4
130.06512	2.0
132.08044	2.3
133.06480	0.8
133.10022	0.6
139.01819	1.0
144.06555	4.5
144.07571	0.4
145.06862	1.9
150.03415	0.5
151.07495	0.6
152.06975	0.7
159.09160	2.8
161.02953	0.8
163.01755	0.6
169.12213	0.8
170.08163	0.7
181.02821	1.6
187.09373	11.8
188.06947	0.5
189.08643	1.0
217.08220	0.9
237.06696	0.5
245.08775	0.5
261.08035	1.8
262.63678	0.5
274.60001	0.6
280.43866	0.5
289.07632	2.0
307.08737	0.9
332.06943	0.6
342.74576	0.5
348.16766	0.5
349.09140	4.5
349.14594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
55.01853	7.0
55.05499	47.8
57.03420	9.2
57.07047	4.8
59.04981	2.4
62.36966	0.9
67.05488	100.0
67.46673	0.9
69.03400	1.5
69.06711	1.5
69.07050	25.6
71.04972	5.0
71.08614	19.6
79.05466	36.4
81.03379	4.6
81.07032	86.2
83.04964	7.7
83.08598	42.3
85.06509	8.1
85.61163	1.1
91.05445	25.3
92.09031	1.1
93.07015	53.4
95.04932	7.0
95.08578	27.8
97.06508	11.5
97.10136	26.6
99.08051	11.9
105.06999	15.6
107.08562	34.2
109.06487	2.4
109.10133	51.3
111.08077	9.8
113.09608	1.8
115.05244	1.1
117.06989	7.6
119.08541	12.8
121.06421	1.1
121.10110	16.9
123.08089	2.0
123.11695	4.9
125.09592	17.5
131.08551	11.4
132.09575	1.3
133.10088	17.9
135.07977	2.5
135.11676	12.7
137.09589	5.1
139.07430	1.1
139.11154	1.3
139.83636	1.0
145.10046	2.0
147.11685	5.7
149.09641	1.3
149.13232	28.7
149.14362	2.0
151.11137	13.9
153.12743	1.1
155.10652	9.3
159.11623	11.9
161.13191	5.6
163.11092	2.3
165.04626	1.1
165.12703	5.6
173.11684	57.3
173.13171	2.0
177.12732	7.6
179.14290	5.1
185.13037	1.4
189.11140	11.4
190.14388	1.5
195.13760	38.7
195.15532	1.3
213.14793	33.2
259.20578	4.2
277.21552	35.1
295.22595	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	348.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69037	0.4
53.03912	0.6
55.05486	1.0
57.03425	1.3
61.02906	0.7
61.87503	0.4
67.05496	4.9
67.50785	0.5
69.03419	7.5
69.07043	5.8
70.43037	0.5
71.04987	5.9
73.99523	0.6
76.56641	0.6
79.05476	0.9
81.03412	2.0
81.07033	8.5
83.04977	0.8
83.08604	1.1
85.02890	13.0
85.06523	9.2
87.04436	0.8
90.13527	0.4
91.03893	0.5
91.05438	2.5
92.08916	2.6
93.07024	3.2
95.04947	8.2
95.08572	3.0
97.02857	2.4
97.06509	0.7
97.10124	0.5
99.04454	3.8
100.11217	2.5
101.11084	0.5
105.07001	2.7
107.08567	13.6
109.02863	1.2
109.06493	12.8
109.10138	96.3
113.05972	2.2
114.54129	0.5
123.08076	3.6
123.11677	9.5
125.09605	13.4
127.03879	2.0
133.10106	7.1
145.04936	0.5
151.09949	1.2
151.11162	31.7
154.72348	0.6
169.12198	100.0
187.13271	1.0
210.14896	1.0
278.57352	0.5
309.77853	0.5
331.17566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.6
55.05486	2.2
57.03424	3.9
57.07050	1.9
59.04989	6.1
61.02908	1.0
63.21754	0.4
67.05492	5.9
69.03416	3.2
69.07053	3.6
71.04610	0.6
71.04974	12.1
73.06528	2.0
79.05471	0.9
81.03378	1.1
81.07041	19.2
83.04970	0.5
83.08597	0.8
85.02888	23.5
85.06520	0.7
91.03960	0.4
91.05454	2.0
93.07032	7.7
93.34380	0.5
95.04947	3.9
95.08583	4.7
95.63269	0.4
97.02861	2.4
97.06503	2.9
99.04436	10.2
101.40729	0.4
104.77296	0.5
105.06997	2.5
107.08577	9.3
109.02841	0.8
109.06492	5.3
109.10142	22.1
111.08064	30.8
113.05974	3.0
121.10081	0.6
123.08051	6.6
123.11684	49.1
125.09586	5.2
127.03862	1.7
133.10100	3.8
136.51208	0.5
137.48311	0.4
141.12692	5.5
145.04916	0.9
151.11163	15.0
169.12207	100.0
189.84286	0.4
247.01666	0.4
268.23834	0.4
331.17380	2.9
362.73398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93868	0.6
55.05478	0.9
57.03412	3.7
57.07056	2.5
59.04988	11.3
60.04513	0.6
61.02890	2.9
67.05493	7.7
67.69158	0.6
69.03403	6.0
69.07044	3.3
71.04967	8.0
73.02868	0.6
73.06515	1.0
74.78237	0.6
79.05468	0.8
81.03406	0.8
81.07033	19.3
83.08573	1.1
85.02885	29.3
85.06485	0.6
88.16510	0.6
92.08910	0.6
93.06999	3.9
95.04917	3.7
95.08560	3.1
97.02850	3.8
97.06534	1.3
99.04438	9.6
105.07004	1.0
107.08575	10.1
109.02848	0.7
109.06500	9.3
109.09396	1.0
109.10139	26.9
111.08060	44.4
113.05974	2.9
121.10162	0.7
123.08057	8.2
123.11684	46.4
125.09583	3.2
127.03883	2.8
133.10127	2.6
141.12679	4.5
145.04900	1.1
151.11154	17.4
169.12201	100.0
331.17435	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	348.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.1
53.40771	0.1
53.44424	0.1
55.05497	0.1
56.92449	0.1
57.03425	0.2
57.07063	0.2
57.84577	0.1
61.02912	0.7
65.03928	0.2
67.05489	3.5
69.03411	0.9
69.32858	0.1
69.34377	0.1
71.55551	0.1
79.05479	0.6
81.03401	0.2
81.07037	3.8
85.02887	3.9
91.05454	0.6
92.09183	0.7
93.07011	0.6
95.04948	3.7
95.08585	0.7
97.02866	0.9
105.03367	0.3
105.07010	1.1
107.08578	8.5
109.02917	0.2
109.06490	3.0
109.10139	100.0
110.10426	0.3
112.05070	0.6
121.10154	0.3
123.08047	0.8
123.11681	4.6
124.52602	0.2
125.09608	0.5
127.03896	0.2
133.10104	4.2
151.11160	39.8
169.12201	17.6
187.29575	0.1
239.82031	0.1
245.86406	0.1
331.17310	0.6
355.12579	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	348.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01861	0.8
57.03420	2.3
61.02917	3.9
69.03416	7.4
71.04966	0.8
73.02876	1.8
76.66723	0.4
79.05473	0.7
81.03394	4.3
85.02887	27.1
87.04442	0.8
91.03944	0.5
91.05459	21.7
92.08931	2.0
93.07016	0.6
95.04939	4.4
97.02876	7.4
99.04440	1.1
105.07011	4.9
109.02872	1.7
109.06488	0.7
119.04917	19.3
123.04357	0.8
123.08057	1.0
124.07578	1.0
127.03921	4.5
133.04948	0.7
133.06465	12.4
136.05185	2.7
137.05974	2.8
140.26720	0.4
145.04939	2.9
151.07518	100.0
163.03888	0.5
165.09079	0.7
169.08578	6.3
170.14476	0.5
180.08647	2.0
183.20569	0.5
186.11163	0.7
217.08652	0.7
252.01402	0.4
277.10654	0.7
339.22903	0.5
348.06696	0.5
348.16901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96840	0.5
53.03936	0.5
55.01881	4.0
57.03422	3.3
59.94049	0.4
61.02907	3.9
67.05486	0.5
67.19106	0.5
69.03420	7.6
71.04972	1.4
72.08123	1.1
73.02895	5.8
79.05459	2.4
81.03389	3.3
83.01328	3.2
83.04932	0.5
85.02888	29.3
86.09668	1.2
87.04449	3.6
91.03924	1.0
91.05460	21.5
92.08701	3.0
92.09332	1.4
93.07041	1.0
95.04951	5.8
95.08585	0.8
97.02884	7.3
99.04434	4.1
105.03358	3.0
105.07014	3.0
107.04924	1.4
107.08557	0.6
109.02844	3.0
109.40094	0.5
115.03920	4.1
119.04916	18.5
121.06469	1.4
123.04400	1.2
123.08030	2.5
127.03872	3.5
133.04939	20.6
133.06474	2.5
135.04379	0.8
136.05147	2.7
137.05952	2.3
145.02795	0.9
145.04938	3.3
151.07521	100.0
154.56796	0.6
165.09016	1.0
169.08559	8.8
193.08476	0.9
239.09056	0.8
247.57700	0.6
249.07449	0.8
249.29436	0.7
277.10648	0.8
281.45657	0.6
295.07974	5.5
295.11191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01858	0.7
56.04996	0.5
57.03415	1.8
61.02903	2.7
62.06772	0.6
67.05494	1.8
69.03416	5.4
69.36697	0.5
70.06560	1.0
71.04967	0.7
73.02850	0.5
81.03395	2.4
82.01755	0.5
84.04469	0.7
85.02885	22.8
85.03366	1.1
86.09675	2.6
91.46393	0.5
92.09182	1.4
95.04932	4.2
97.02869	7.2
104.73880	0.6
109.02852	2.7
123.04404	100.0
127.03902	2.9
136.06158	18.1
144.01959	0.8
144.06548	0.7
144.46313	0.5
145.04948	2.3
147.04382	0.8
151.03871	16.7
161.02888	0.6
162.03064	1.0
162.05449	0.6
169.04919	25.3
176.08167	4.9
177.81438	0.5
180.08640	1.1
188.08128	5.6
203.09232	1.1
214.06105	3.2
269.55887	0.5
303.10751	3.7
348.06970	0.9
348.12958	6.4
369.06018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1677
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
50.53985	0.5
53.03930	1.2
55.01857	3.3
55.05494	1.4
57.03409	1.3
62.33792	0.9
67.05488	1.7
69.03395	3.3
69.07043	1.2
71.00016	0.6
71.04964	2.9
79.05457	4.5
81.03402	3.0
81.07040	5.4
83.04996	0.9
85.02894	5.4
85.06516	1.5
91.05462	4.4
92.05783	1.2
92.08850	3.1
93.07024	16.6
94.07338	0.6
95.04919	2.7
95.08585	4.9
96.81082	0.7
97.02855	1.0
97.06520	1.1
99.04450	1.4
100.75866	0.7
105.03380	17.3
105.07017	3.2
106.03725	0.8
107.04881	0.9
107.08569	4.2
109.06493	0.9
109.10091	1.8
110.43562	0.9
110.55514	0.7
111.08047	1.7
119.08546	0.9
121.06490	1.0
121.10136	14.4
123.04419	0.9
125.04466	0.7
125.09631	1.1
127.03840	0.9
130.17021	0.8
131.08522	0.8
137.09555	2.7
139.11154	0.9
149.09581	4.1
152.38977	0.7
162.72496	0.7
165.09065	1.0
167.10643	4.1
167.14282	0.9
184.09012	0.9
185.11559	4.6
185.15392	1.3
216.82158	0.9
231.06557	3.6
307.71490	0.8
347.16699	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	346.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00270	0.3
55.05467	1.9
55.05690	0.3
56.96558	11.4
57.07068	13.7
58.06582	2.9
65.61576	0.3
67.05458	1.6
67.50220	0.5
68.04984	0.5
69.07008	1.3
70.06580	26.9
71.08614	4.9
72.08098	0.5
72.80190	0.3
79.05445	0.5
80.56210	0.3
81.07026	2.5
83.08559	0.5
84.08055	0.4
85.10127	2.1
86.06004	0.4
86.09647	0.6
88.07612	33.7
89.05995	0.3
91.05479	0.4
92.08667	1.3
92.09294	1.4
93.06976	2.1
95.08544	1.8
97.10139	0.5
97.99162	2.2
102.09161	21.3
105.06969	0.7
107.08566	2.3
109.10091	0.7
116.00194	0.6
119.08514	2.2
121.10107	1.2
123.11707	0.4
131.08481	0.3
132.10141	1.7
132.78461	0.3
133.10051	1.4
135.11610	0.5
141.02116	0.4
146.11700	1.4
150.11217	1.3
159.03229	1.2
159.11687	0.4
167.57468	0.3
180.11684	0.4
189.16400	0.6
201.16212	0.5
209.66336	0.3
215.17848	0.4
216.18102	0.4
218.15045	0.5
224.14996	3.2
224.64990	0.6
233.15532	4.9
233.65723	1.2
240.26840	1.4
242.15886	0.4
249.15280	0.4
255.14928	0.4
258.15579	2.0
258.27881	0.6
258.65765	0.6
264.15506	0.7
266.28363	0.4
273.16162	0.6
279.67444	0.4
284.29419	63.9
293.67276	1.7
294.17297	0.5
302.67865	2.0
303.17914	0.7
305.18268	0.3
311.68420	0.6
314.18735	3.2
314.68790	0.5
323.19363	0.4
328.32071	3.8
346.33096	100.0
347.33322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.6
55.01857	3.4
55.05504	37.8
57.03419	7.6
57.07054	3.0
59.04989	1.7
65.03937	1.8
67.05141	3.3
67.05489	81.2
69.03397	1.5
69.07051	39.7
71.04964	3.5
79.05471	45.2
80.36434	1.5
81.03404	2.1
81.07037	100.0
83.04951	7.2
83.08608	25.7
85.06526	2.7
85.31163	1.7
91.05461	31.7
92.09200	9.7
93.07015	53.5
93.62822	1.5
95.04940	7.1
95.08572	28.5
97.06503	10.1
97.10143	22.5
99.08064	2.5
105.07004	26.9
107.08571	45.7
109.06486	4.0
109.10139	42.1
111.08062	7.4
115.05446	1.8
117.07000	12.0
119.08540	21.7
121.06486	2.4
121.10096	14.3
123.11667	6.5
125.09597	11.2
129.06972	2.1
131.08534	16.0
133.10091	22.5
135.08037	3.5
135.11653	11.0
137.09590	7.0
145.10081	10.4
147.11670	10.2
149.09599	12.2
149.13219	22.9
151.11163	1.7
155.10664	7.3
159.11670	13.0
161.13210	1.8
163.11150	3.2
171.11667	2.1
173.11707	33.3
173.13106	3.8
177.12721	3.3
189.11211	7.4
195.13762	29.9
207.13721	1.9
213.14789	24.4
229.19414	3.1
247.20285	2.6
257.18939	3.7
275.19968	51.8
293.21027	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	346.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05817	0.8
53.00301	1.1
53.03918	1.5
53.72409	0.9
55.01862	4.2
55.05506	48.1
56.86993	0.8
56.96561	100.0
57.03411	1.7
57.07071	9.6
58.06572	1.1
59.04985	2.0
62.46729	0.9
65.14687	1.0
67.05146	1.5
67.05493	41.6
67.52599	0.9
69.03400	4.7
69.07055	24.8
70.06585	10.4
70.38599	1.0
70.42448	1.0
71.04980	2.0
71.08611	5.5
74.06055	1.5
79.05476	19.8
81.03392	6.3
81.06593	1.7
81.07041	33.3
83.04977	6.3
83.08604	29.8
83.71959	0.9
84.95981	1.3
85.06540	1.1
87.04459	1.0
88.07625	14.0
91.05470	10.7
92.08836	4.2
92.09331	1.2
92.98604	1.4
93.07026	22.7
95.04935	2.6
95.08595	27.5
97.06510	2.3
97.10147	35.2
97.99153	20.1
101.05985	1.4
101.09596	1.4
102.09178	1.8
105.07020	16.8
106.08609	1.0
107.08585	30.0
109.06491	1.5
109.10147	32.2
111.08075	1.7
114.09158	4.0
116.00205	8.8
117.06988	1.6
118.08626	16.9
119.08567	17.5
121.10114	12.2
123.11665	5.9
125.08746	1.7
125.09621	31.7
128.57111	1.3
131.08514	4.7
132.06903	1.3
132.10202	10.4
133.10141	11.8
135.08041	1.9
135.11685	4.4
137.09563	1.8
139.11143	2.6
141.02242	1.8
143.08534	1.7
145.10114	7.9
146.11739	6.2
147.07460	2.2
147.11636	6.5
148.08302	1.5
150.11255	9.1
151.11166	1.3
153.09178	1.9
154.08235	1.6
155.10648	4.1
157.10048	2.0
159.03258	7.7
159.11682	6.3
161.13249	1.7
163.14783	1.7
167.09050	1.5
167.10570	1.4
173.11684	7.8
173.13229	5.9
175.14835	1.7
177.04338	2.0
180.11430	1.2
183.06906	1.1
185.13283	1.3
186.09822	1.7
187.14781	4.8
189.11179	22.9
189.16377	10.1
191.12653	1.5
191.17912	1.1
193.10722	2.1
196.11884	1.1
199.12439	2.0
201.16422	7.2
202.16518	1.1
213.16409	2.0
215.18001	2.1
217.14258	1.4
218.15059	7.6
223.14165	1.3
224.15002	23.5
224.65106	8.0
227.15793	1.3
229.19395	1.8
232.14769	1.8
233.15523	45.7
233.65686	15.6
240.14079	1.8
241.15276	1.4
242.16078	8.2
242.66180	1.8
244.66306	5.1
246.14499	4.1
246.64748	1.4
249.15097	6.3
249.65343	2.0
255.14964	5.1
258.15457	9.7
258.65829	2.1
264.15515	5.1
264.65640	1.7
265.21649	1.4
266.65820	1.9
267.16092	1.3
273.16113	8.8
273.66412	1.3
275.20059	2.4
275.66330	6.2
276.16681	1.7
277.21567	12.5
284.29422	1.2
284.66611	1.8
293.21024	5.4
293.67258	7.4
295.22717	2.0
302.30377	4.3
302.67960	14.6
303.18140	5.2
305.18060	8.1
305.68216	1.4
311.22147	12.4
311.68417	6.3
312.18652	4.6
314.18686	15.0
314.68762	7.6
323.19388	4.0
323.69458	1.8
325.69513	2.2
327.14697	4.2
346.28903	2.3
346.33096	63.5
359.98019	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	2.5
55.01852	12.8
55.05503	57.5
55.34467	2.2
56.96545	4.8
57.03420	14.3
57.03687	2.3
57.07064	10.7
60.11863	2.6
61.36539	2.6
65.03928	2.8
67.05144	4.8
67.05486	100.0
69.03400	5.6
69.07053	39.8
70.23895	2.3
71.04970	15.6
71.08602	4.0
79.05470	59.4
81.03381	4.8
81.07035	75.1
83.04959	21.7
83.08589	16.9
85.02875	6.5
85.10159	5.1
91.05452	45.1
92.08897	5.5
92.64297	2.7
93.07018	69.5
95.04939	19.6
95.08577	81.9
97.06511	12.7
97.10129	17.0
99.08070	4.5
100.58840	3.0
104.57740	2.6
105.07000	24.2
107.04927	5.8
107.08596	38.4
109.06503	4.6
109.10139	38.5
111.08050	6.3
113.09636	5.4
117.06964	3.8
119.08544	28.0
120.62018	2.8
121.06459	4.4
121.10109	37.1
123.08077	3.3
123.11696	2.9
125.09609	10.9
129.06993	2.5
131.08495	18.4
133.10104	22.6
135.08043	3.3
135.11658	14.7
137.09598	10.6
139.11142	14.0
142.02486	2.5
145.10056	6.6
147.11665	4.5
149.09604	10.7
151.11186	4.7
151.92932	2.9
153.12790	2.9
155.10681	2.9
157.10146	3.8
157.12247	3.5
160.11104	2.5
163.11153	5.3
167.10672	6.5
173.11719	20.2
173.13020	2.7
209.11713	3.2
227.08212	3.1
275.20026	15.8
293.21152	35.0
318.20605	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	346.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43520	0.1
53.03928	0.3
54.82175	0.1
55.01851	0.2
57.03412	0.7
57.36846	0.1
57.87122	0.1
61.02912	1.0
61.66529	0.1
62.92843	0.1
69.03419	2.1
72.08138	0.2
73.02888	0.7
78.58402	0.1
79.05489	0.9
81.03392	0.8
85.02887	4.9
86.09689	0.2
87.04449	0.6
91.03938	0.2
91.04879	0.2
91.05457	6.3
92.08867	0.2
93.07016	0.3
97.02862	1.5
99.04446	0.2
103.05437	0.5
105.03362	0.5
105.07019	0.3
107.04937	5.4
109.02852	0.5
114.03625	0.1
115.05433	0.7
116.06216	2.1
118.71664	0.1
119.08549	0.7
119.74020	0.1
121.06464	0.6
127.03890	0.7
128.06184	0.1
129.06964	1.2
131.08542	100.0
132.08829	0.5
134.09203	0.1
145.04906	0.3
145.10127	0.3
147.04385	0.3
149.05952	1.8
149.09596	6.1
152.47029	0.1
155.20937	0.1
160.33406	0.1
172.31683	0.1
173.09587	0.3
257.11588	0.2
275.12723	0.2
275.89435	0.1
293.13846	0.3
296.27499	0.1
335.45645	0.1
338.89679	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	346.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27211	0.6
53.03931	0.8
55.01856	0.9
65.03910	0.8
66.10684	0.6
67.05482	1.8
69.03397	3.9
69.07056	1.0
70.06573	0.9
72.08123	8.8
73.02898	0.7
76.94264	0.7
79.05451	1.4
81.03417	0.7
81.07029	3.1
84.08124	0.9
85.02874	5.1
86.09689	1.4
86.23017	0.7
87.04452	1.4
91.05456	1.2
92.08875	1.8
93.05761	3.6
94.06548	32.3
95.07327	1.2
97.02877	2.8
104.76705	0.8
106.06531	9.4
108.08109	18.7
109.06482	1.4
119.53117	0.8
120.08107	0.8
121.08941	0.8
123.05983	1.2
123.06796	19.6
124.07587	1.6
128.69633	0.7
134.05980	0.8
136.07555	100.0
137.08321	11.5
138.05495	3.1
138.09119	87.0
140.06976	1.3
143.01834	1.2
152.07062	1.3
154.08611	22.6
161.02946	1.4
166.04956	1.5
166.08607	35.6
168.06557	1.4
184.09650	86.3
198.21992	0.8
313.02170	0.8
346.14902	83.3
359.48044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01863	0.6
56.05020	0.3
57.03425	1.1
61.02913	2.1
64.33717	0.3
69.03414	2.9
69.07060	0.5
70.06586	0.3
71.04984	0.5
73.02923	0.4
74.06063	0.4
79.05452	0.3
80.03733	0.2
81.03394	1.4
81.07033	0.7
83.04964	0.4
84.04500	0.3
85.02888	10.6
86.09684	1.8
88.29736	0.3
91.03930	0.5
91.05455	9.5
92.08747	0.6
93.07018	2.6
95.04938	1.8
95.08605	0.4
97.02874	3.1
97.06476	0.4
99.00780	2.4
99.04404	0.6
101.02377	0.3
105.03368	0.6
105.07020	0.6
107.04936	1.5
107.08582	0.6
109.02883	1.0
109.06536	0.3
117.01797	0.3
119.04132	0.5
119.04923	7.6
120.05685	0.4
121.06479	100.0
121.10097	2.4
127.03886	0.7
131.08536	2.4
135.14313	0.3
145.04930	0.7
149.05954	71.7
149.09587	1.5
165.12625	0.4
167.06975	2.0
167.10696	0.6
177.07014	0.4
183.13715	0.5
187.14362	0.5
195.07985	0.4
212.08340	0.3
213.09045	6.8
223.29538	0.3
223.48557	0.3
262.28979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92124	1.2
53.03928	2.0
55.01851	2.8
57.03430	6.8
61.02913	11.7
69.03410	22.2
71.04977	1.9
73.02898	4.9
76.24392	1.2
81.03403	9.0
83.01297	1.3
85.02889	100.0
91.03937	2.2
92.08752	2.3
92.09238	2.4
97.02877	27.6
99.04415	2.4
107.04935	64.2
109.02866	7.9
121.06461	4.7
127.03875	14.5
145.04915	17.3
147.04416	1.6
149.05963	17.2
163.06044	2.6
167.07051	9.2
173.05925	3.1
180.08633	8.6
184.09583	1.7
215.06972	5.3
233.08147	1.6
257.07932	1.7
275.09082	1.8
305.48657	1.5
346.14853	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	346.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
53.03938	3.3
57.03418	0.8
61.02909	0.3
69.03412	5.8
71.01319	0.2
71.04963	0.8
72.36687	0.2
73.02885	0.3
77.03910	0.8
79.05047	0.3
79.05475	5.1
79.05912	0.4
81.03400	15.8
85.02885	8.7
85.12690	0.2
92.08668	0.2
92.09166	0.5
95.04948	4.1
97.02869	6.9
99.04427	2.3
105.03371	100.0
106.03706	0.3
109.02859	8.0
123.04393	9.5
127.03891	5.3
132.74673	0.2
145.04944	0.9
190.17183	0.2
204.37254	0.2
231.06517	0.4
232.16962	0.2
249.07521	18.0
267.08572	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	346.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01865	1.6
57.03428	7.3
61.02911	14.2
69.03414	22.1
71.04957	2.8
73.02887	4.9
79.05455	4.3
79.98995	0.6
81.03398	9.6
85.02889	100.0
86.09683	2.5
87.04454	3.8
91.03937	5.8
91.05460	0.9
92.09280	1.5
97.02873	26.1
99.04420	4.8
103.05453	13.7
107.04932	2.9
109.02848	10.0
112.48270	0.6
115.03883	0.9
121.06480	72.0
127.03896	17.4
131.04897	4.4
139.07521	1.1
140.00230	0.7
145.04933	24.1
149.06012	5.1
163.05962	5.1
167.07002	6.2
191.16609	0.7
218.71591	0.6
329.12091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.01857	2.9
55.71767	0.6
57.03423	6.8
61.02918	13.4
69.03413	23.0
71.04987	2.2
73.02890	4.1
78.50267	0.6
79.05453	4.1
81.03400	9.7
83.01309	1.1
85.02889	100.0
87.04458	1.4
91.03925	4.8
91.05463	0.6
92.08871	1.2
93.07006	3.2
97.02868	28.2
99.04427	4.1
103.05442	13.2
107.04932	2.7
109.02867	6.6
115.03905	1.2
119.04943	0.8
120.05225	0.8
121.06483	67.4
127.03890	19.0
131.04887	3.3
139.07520	1.3
145.04929	20.8
147.04401	6.6
148.04713	4.5
149.04863	2.4
149.05981	5.9
163.05984	6.0
165.05443	1.4
167.05849	0.7
167.07039	7.2
184.09615	0.8
257.21899	0.7
264.09024	0.6
327.97012	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.01865	0.8
56.96552	0.8
57.03424	1.5
61.02897	4.2
61.19230	0.8
62.65904	0.7
67.05490	1.2
67.50877	0.7
69.03414	11.9
70.06573	1.6
72.08109	1.7
73.02901	1.4
76.85463	0.8
79.05477	3.2
80.05008	0.9
81.03398	4.7
81.07032	1.1
83.04969	1.3
85.02892	25.0
86.09675	6.4
87.04453	1.2
91.05474	6.0
92.09228	2.7
93.05757	1.4
93.07039	8.8
94.06527	0.9
95.04971	5.4
95.08570	1.4
96.24855	0.8
97.02878	7.5
98.97602	1.1
99.04449	1.4
102.09136	1.0
103.05446	7.1
105.03384	6.9
107.04937	1.3
108.08107	85.5
109.02845	3.7
113.05964	1.6
116.78540	0.7
116.98631	0.8
118.06536	0.8
119.05017	1.2
120.08083	28.1
121.06484	26.8
122.06035	1.4
122.09628	1.7
123.04401	0.8
124.07589	2.8
125.05915	1.1
126.09132	80.2
127.03873	4.0
130.06526	4.4
131.04953	1.2
135.04384	1.5
136.07520	7.2
137.05949	1.2
138.05434	1.2
138.09122	12.8
145.02744	1.0
145.04897	1.1
147.04329	1.2
148.07558	100.0
149.05957	36.6
150.05441	0.9
150.09151	0.8
154.08635	6.1
156.10156	7.7
161.01213	1.1
163.03912	7.2
165.05331	0.8
165.09056	1.0
166.08607	75.6
167.05675	1.1
167.07030	28.8
168.10149	1.3
177.42815	0.8
184.09657	62.4
213.24031	0.7
249.99539	0.8
328.13757	6.7
337.64111	0.8
345.15115	1.1
346.15250	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	346.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.4
51.02959	0.2
53.03935	2.4
55.01865	2.4
56.90566	0.1
57.03423	0.8
65.01100	0.2
67.05479	0.2
71.04964	1.3
72.08115	0.4
72.18931	0.2
74.06055	0.3
74.28252	0.2
77.03912	0.2
78.51387	0.2
79.05468	3.0
81.03410	0.4
81.07037	0.3
83.01321	1.0
85.02891	0.5
86.09709	0.3
87.04443	0.3
91.05430	0.5
93.07023	1.0
95.04951	5.9
101.02331	0.3
102.94479	0.2
105.03370	100.0
106.03732	0.2
111.00773	0.2
115.03972	0.2
117.15122	0.2
121.10101	0.8
123.04401	3.3
129.01819	0.4
131.08638	0.2
137.05913	0.5
143.03369	0.4
149.09593	0.5
157.01311	0.3
171.02878	0.4
173.12865	0.3
177.05286	0.2
189.03883	0.3
293.06482	14.7
294.07138	0.2
301.72345	0.2
311.07526	10.3
311.11130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
54.81869	0.2
55.01863	0.3
56.61084	0.2
56.96549	0.2
57.03425	0.9
61.02912	1.5
64.48297	0.2
65.03942	0.2
67.05494	0.2
69.03413	3.0
69.07057	0.3
70.06570	1.6
72.04475	0.3
72.08124	1.3
73.02901	0.9
79.27618	0.2
79.66975	0.2
80.15238	0.2
81.03396	1.0
82.41948	0.2
84.04498	0.4
84.08120	1.0
85.02885	4.1
86.09676	0.3
87.04482	0.4
91.03948	0.3
91.05410	0.3
92.04965	0.3
92.08843	0.5
96.04469	0.3
97.02853	2.3
98.97565	0.4
107.04974	0.3
109.02834	0.4
110.05990	0.3
110.07117	0.5
113.03480	1.4
116.07064	0.4
119.65102	0.2
120.04433	1.5
121.06477	0.8
122.05929	0.3
123.04438	0.2
123.05487	0.3
127.03902	0.4
129.10277	0.3
135.04385	0.3
138.05458	3.5
145.04916	0.3
148.03906	49.5
149.05951	1.0
152.05573	0.3
163.03851	0.9
166.04959	100.0
166.93536	0.2
167.05478	0.3
167.06966	1.3
184.06009	56.2
193.61418	0.2
346.11377	3.0
346.22678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2033
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
55.05497	8.0
57.07054	2.0
65.75970	1.6
67.05490	8.3
69.07053	4.6
71.08614	2.2
79.05476	2.3
81.07028	11.4
83.08601	2.1
83.16429	1.7
91.05473	2.7
92.08866	14.9
93.07030	7.8
95.08571	9.0
97.10157	1.9
104.99300	6.5
107.08575	2.8
116.88916	1.7
120.70287	1.7
121.10152	1.8
135.11697	2.1
136.57944	1.7
208.35387	1.9
278.21817	2.2
345.16104	4.0
345.20343	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	345.2032
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
54.82394	1.1
67.05494	1.4
75.69071	1.0
79.05462	1.6
81.07032	2.0
83.36470	1.2
91.05458	1.2
92.09070	6.5
97.35987	1.4
104.99268	2.0
109.10124	1.1
119.08617	2.3
155.01808	1.7
161.58669	1.3
171.01364	11.1
221.29048	1.4
278.21729	1.6
326.02328	1.2
327.18033	7.3
345.20288	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	345.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
54.81695	0.6
55.01852	0.7
55.05495	2.0
57.03415	2.7
57.07058	2.8
59.05006	0.6
60.50749	0.4
61.02909	2.7
63.82894	0.4
67.05480	2.7
67.59706	0.4
69.03069	0.9
69.03416	18.8
69.07055	19.5
71.04965	3.2
71.08611	0.9
73.57390	0.5
79.05485	4.2
81.03388	3.6
81.07039	37.9
83.04959	7.9
83.08573	0.9
85.02889	19.5
85.06522	6.2
86.09684	2.1
91.05454	2.9
92.08585	0.6
92.09095	3.5
93.07021	4.2
95.04952	1.2
95.08591	9.6
97.02875	4.2
97.06504	3.5
99.04430	6.4
99.08068	24.1
105.03352	2.2
105.07006	5.8
107.08575	8.6
109.02858	0.8
109.06499	10.6
109.10136	6.1
111.08051	2.3
113.05955	2.2
119.04894	0.6
119.08578	3.3
121.06490	5.1
121.10109	15.7
123.08061	4.6
123.08821	0.5
123.11684	9.8
125.09604	12.7
127.03867	2.6
127.07525	4.6
135.11649	1.0
135.48528	0.7
137.09579	4.1
137.13223	2.9
139.11166	16.3
145.10193	0.7
147.11679	3.5
149.05956	3.2
165.09067	0.8
165.12712	10.3
169.39417	0.6
183.13773	100.0
213.09097	0.6
269.46863	0.5
330.48944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1329
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
52.01151	1.4
55.01868	2.5
55.05490	1.4
65.03918	7.6
67.05489	1.9
69.03400	1.8
69.07049	6.7
70.17877	1.7
74.40192	1.7
79.05427	2.4
81.07029	6.0
85.02882	1.9
85.58504	1.7
91.05441	3.6
92.08913	7.1
93.03334	1.8
93.07016	2.6
95.08581	2.7
95.38441	2.0
96.02103	8.6
105.07030	2.7
107.01277	2.3
107.08608	3.3
111.04425	43.7
115.05410	3.0
117.06985	2.1
119.08566	2.2
119.49654	1.9
123.04401	1.6
129.06956	3.3
131.04884	1.8
133.54170	1.9
137.02220	1.7
139.03885	20.3
141.06941	3.9
144.05681	6.9
145.06450	8.0
147.04384	2.4
152.06165	6.8
153.06923	8.4
155.04987	2.1
155.08459	2.8
157.06471	9.3
159.08012	13.5
160.08844	7.1
161.05951	10.2
161.09644	2.6
165.06958	8.8
167.03410	3.8
167.08461	2.9
168.05644	9.2
168.09271	2.5
168.24844	1.9
169.06451	7.3
170.07268	3.4
171.07996	3.2
173.06029	2.1
177.09113	2.0
178.07787	7.6
179.08536	10.8
181.06438	13.2
182.07179	6.8
183.08005	7.5
185.05960	13.4
185.09625	6.4
187.07458	4.0
188.08302	9.2
195.08051	9.7
196.05176	3.0
196.08755	3.0
197.05984	9.7
197.09602	2.9
198.06723	29.4
199.07515	3.8
200.08252	3.4
205.06511	2.1
206.07262	2.9
207.08035	11.8
208.08798	3.8
209.05927	10.4
210.06735	4.1
210.10185	2.7
211.07530	17.9
211.11063	6.9
213.05437	10.4
213.09068	9.3
215.07152	2.3
221.09653	7.2
223.07500	16.3
224.04741	5.4
224.08372	14.2
225.05431	4.2
225.09009	6.7
226.06223	11.2
227.07016	9.5
228.07794	10.9
230.50092	1.7
234.06622	2.7
235.07556	7.4
236.08226	3.2
237.05347	3.6
237.09117	6.5
238.09866	15.7
239.06960	37.3
239.10600	19.4
240.07776	24.2
241.04976	11.9
241.08546	16.6
243.06406	23.2
249.09044	8.0
251.06955	3.2
252.04164	1.8
252.07744	11.1
253.04756	3.0
253.08568	19.4
253.12094	6.6
254.05722	2.6
255.06424	9.9
256.07248	33.6
256.10709	4.0
257.08081	3.3
265.08655	3.9
267.06580	9.9
267.10117	37.4
268.07214	38.2
269.08014	45.0
271.09665	7.4
271.13229	7.5
280.07126	2.8
280.59949	2.1
281.08035	7.1
281.11401	2.2
284.06815	6.2
284.10345	13.5
286.08319	2.6
295.09711	8.5
296.10306	13.7
299.09125	100.0
299.12708	14.9
304.28568	2.0
312.09937	2.4
313.10748	16.6
317.13846	2.5
327.08282	3.3
327.12170	74.6
345.09009	2.1
345.13254	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	345.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09295	0.6
54.81599	0.7
54.93265	0.7
55.01864	0.9
56.05036	0.7
56.61114	0.6
58.12001	0.6
59.06103	0.8
61.02909	0.8
67.05508	1.2
69.03412	3.6
70.06577	1.0
73.02872	0.7
76.65789	0.7
78.42304	0.8
79.05477	1.4
81.07020	1.0
83.04993	0.9
83.06088	5.5
84.08108	0.7
85.02890	7.7
85.06520	0.9
86.03551	3.3
87.67628	0.8
88.19036	0.7
91.05471	1.5
95.04934	1.0
95.06071	3.9
97.02885	1.2
98.97540	1.1
101.05998	0.9
104.04984	0.8
105.03281	0.8
105.07025	1.0
106.06543	1.1
107.04929	1.4
109.06469	1.5
111.05536	10.7
119.04953	0.9
120.04453	6.4
121.06469	0.9
123.05558	3.1
125.05921	4.6
126.06623	4.9
132.04424	62.5
132.07970	2.8
133.02814	9.1
134.05988	11.6
137.04662	5.6
137.05952	9.4
147.04382	6.0
150.05461	6.2
151.06108	29.1
165.05428	5.9
165.12694	0.9
166.07207	1.7
183.06502	6.0
183.10037	1.6
187.08688	1.2
194.06732	9.4
201.02060	0.8
202.09732	4.9
203.08153	3.1
208.08475	1.0
210.03137	0.8
216.11385	1.1
230.09148	4.1
231.07645	5.6
232.10686	5.5
242.09167	10.3
257.10254	12.7
259.11786	21.4
273.09384	1.0
284.11469	6.2
287.11005	1.5
302.09454	1.0
302.12415	34.7
327.11987	5.1
345.12964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01870	11.3
55.05233	1.7
55.05503	41.8
56.05014	1.7
57.03425	13.7
57.07062	8.7
58.41240	1.5
59.04990	2.0
67.05492	100.0
69.03407	3.5
69.07056	34.2
71.04973	9.4
71.08608	13.6
79.05476	54.5
80.25819	1.6
81.03413	3.0
81.07041	96.6
83.04971	23.2
83.08604	23.5
85.06538	6.7
91.05465	38.9
92.08643	3.6
92.09259	9.5
93.07021	74.4
95.04949	19.8
95.08589	42.6
97.06494	12.9
97.10152	8.9
99.08084	11.0
105.07002	24.3
107.04913	2.4
107.08575	33.9
107.96659	1.6
108.05384	1.5
109.06500	6.8
109.10137	33.7
111.08072	10.0
117.06993	8.8
119.08560	22.0
121.10117	23.0
121.32229	1.6
123.11714	6.0
125.09612	3.2
129.07008	3.6
131.08539	13.0
133.10117	20.6
135.08022	1.9
135.11671	16.0
137.09579	2.8
139.11151	18.5
143.08549	1.8
145.10156	3.5
147.11679	10.0
149.09572	1.9
149.13254	21.3
151.11203	8.2
155.10663	2.5
157.10016	2.4
159.11652	11.6
161.09581	2.2
161.13264	3.1
163.11125	3.2
163.14749	3.3
165.12755	2.0
173.11722	20.3
175.11165	2.1
175.14871	1.5
177.12717	8.7
187.13278	2.6
195.13797	23.0
213.14769	3.4
227.16420	3.2
231.20999	2.3
239.91760	2.0
259.20435	3.8
277.21530	23.9
291.23187	10.4
309.24057	3.2
331.18768	1.8
331.56461	1.6
337.30774	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81199	4.1
55.01872	6.4
55.05505	82.4
56.96194	3.8
57.03433	8.7
57.07062	18.4
61.80125	4.0
67.05496	98.2
69.03408	5.7
69.07057	55.7
71.04982	7.4
71.08621	33.9
72.33136	3.6
79.05474	71.1
81.03419	4.8
81.07039	99.5
83.04977	27.8
83.08605	24.8
85.06525	10.6
88.07642	18.0
91.05468	54.9
92.09060	27.0
93.07032	100.0
95.04957	21.2
95.08587	88.7
97.06510	22.1
97.10161	5.4
99.08086	16.5
104.99230	5.4
105.07021	49.1
107.08561	41.7
109.06521	5.1
109.10149	26.1
111.08097	6.5
117.07011	6.9
119.08585	33.1
121.10116	22.6
123.08093	5.0
123.11712	6.7
129.07022	8.1
131.08575	21.7
133.10110	28.3
135.11702	25.6
139.11182	24.4
142.32222	4.3
145.10135	8.4
147.11679	9.4
149.13286	5.8
151.11192	10.7
157.10152	6.3
161.13245	4.4
163.11057	5.9
165.12711	4.6
170.22087	4.3
175.14758	7.2
178.02788	4.5
195.13799	8.4
211.17825	4.1
221.15216	5.4
239.61430	4.9
241.19655	6.0
277.21585	48.9
291.23151	11.0
309.24167	19.7
344.31570	7.9
345.20340	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	3.0
53.03936	8.9
55.01863	11.8
55.05505	100.0
56.96571	1.5
57.03419	8.9
57.07063	2.5
59.04975	3.2
65.03924	3.3
65.75397	1.5
67.05491	98.6
69.03419	13.7
69.07055	38.4
70.04197	1.7
71.01337	9.6
71.04980	10.7
77.20763	1.4
79.05473	82.0
81.03401	20.1
81.07040	62.3
83.04980	13.6
83.08598	37.5
85.06519	2.4
91.05460	52.2
92.08853	6.3
93.07020	49.1
94.07861	1.6
95.04941	26.7
95.08579	36.7
97.06509	9.8
97.10145	61.0
104.99273	3.1
105.04485	1.7
105.07011	40.6
107.04951	5.9
107.08573	58.9
109.06503	9.3
109.10144	25.3
111.08067	6.8
117.06987	8.7
118.11538	1.3
119.08548	21.7
121.06443	2.1
121.10107	10.6
123.08041	9.3
123.11678	1.7
125.09617	38.1
129.06993	2.5
131.08571	10.8
133.10114	8.3
135.07993	2.9
137.09595	3.6
139.11186	2.8
143.08560	2.1
143.10591	2.0
145.10078	10.9
147.11681	11.9
149.09639	2.4
153.09044	1.8
157.10136	2.6
159.11606	2.8
165.07249	1.5
173.11716	3.3
174.56703	1.4
189.11220	25.9
215.62329	1.5
221.35344	1.3
222.20245	1.3
223.13115	5.6
257.18964	2.0
275.20016	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	344.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.8
55.01854	11.8
55.05504	88.4
56.05014	2.5
57.03429	11.2
57.07069	11.9
58.72738	1.7
59.04982	3.7
59.84792	2.0
67.05490	98.2
68.42502	2.2
69.03412	9.9
69.07051	42.0
71.04964	10.3
71.08620	31.6
79.05475	59.3
81.03430	3.9
81.07036	100.0
83.04964	22.6
83.08594	42.0
85.06536	5.1
88.07600	2.7
91.05457	43.4
93.07015	68.0
93.07564	3.3
95.04938	18.3
95.08584	57.8
97.06517	14.5
97.10152	54.2
99.08072	16.6
105.07007	27.6
107.08579	51.5
109.06490	3.3
109.10139	32.2
111.08058	4.4
117.07011	11.4
119.08564	20.5
121.10107	17.8
123.08089	3.1
123.11700	12.0
124.97945	2.3
125.09582	36.5
125.10303	2.6
129.06987	2.7
131.08568	14.7
133.10088	23.8
135.08046	11.2
135.11646	18.0
137.09537	3.6
137.13235	3.6
139.11151	18.9
143.08549	3.9
145.10100	8.2
147.11694	14.0
149.13231	14.5
151.11133	11.2
153.09081	4.2
157.12215	3.0
159.11685	10.5
161.13254	4.2
163.81293	2.2
173.11736	4.9
173.92793	2.2
175.14850	5.3
177.12688	3.3
185.13193	3.2
187.13281	8.5
195.13817	5.0
201.14767	2.9
203.12750	27.4
209.15465	2.3
241.19464	3.4
259.20615	11.2
261.33337	2.6
277.21512	46.2
291.23074	10.1
309.24237	9.4
327.25101	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	2.4
53.03940	9.0
53.24117	1.5
55.01867	13.1
55.05505	68.2
57.03428	20.1
59.25509	1.3
65.03931	2.6
67.05492	100.0
69.03405	11.2
69.07052	37.1
71.01353	2.3
71.04970	12.1
79.05474	79.7
81.03393	20.1
81.07037	96.3
83.04965	21.4
83.08601	26.7
85.02889	7.0
85.06536	6.9
91.05460	70.0
92.08837	1.9
93.07022	70.5
95.04942	37.2
95.08580	60.7
95.09180	1.7
97.06512	15.2
97.10126	7.0
98.07611	1.6
99.04460	3.6
99.08053	3.0
101.06048	1.7
105.03420	2.2
105.07008	39.0
107.04929	10.3
107.08578	34.0
109.06507	15.0
109.10139	43.0
111.04445	4.1
111.08069	21.1
113.09638	1.6
117.06989	12.3
119.08544	31.8
121.06452	3.3
121.10112	38.7
123.08060	18.4
123.11742	2.4
125.09633	9.7
128.06178	2.7
129.06964	8.9
131.08542	20.2
131.61563	1.8
133.06488	2.5
133.10112	27.2
135.08008	8.7
135.11653	12.1
137.09608	18.2
139.11183	3.6
142.07800	1.8
143.08534	4.0
145.10153	13.4
145.11104	1.5
147.08046	2.4
147.11688	7.1
149.09613	15.7
149.18599	2.0
151.11168	8.1
152.55040	1.6
153.09097	1.8
153.11995	1.5
155.10655	2.6
157.10114	7.3
161.09590	10.3
161.38487	2.0
163.11137	8.7
167.10596	7.4
171.11707	1.7
173.11713	15.7
175.11165	6.8
177.12856	1.7
179.10582	9.7
181.12222	2.4
193.12155	6.7
211.13219	6.5
263.20148	2.6
273.18384	9.2
285.17715	1.9
291.19455	13.3
309.20428	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	344.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.8
53.00284	1.6
53.03936	12.4
54.81836	2.0
55.01870	15.3
55.02086	1.7
55.05504	100.0
56.96550	1.8
57.03430	26.8
57.07053	3.1
58.11460	1.4
59.04981	2.6
62.53387	1.5
65.03926	1.8
67.05490	62.1
68.35365	1.8
69.03414	12.7
69.07052	34.0
69.71394	1.5
71.04980	13.4
79.05472	98.5
81.03394	39.3
81.07034	66.2
83.04967	23.7
83.08598	38.8
85.02906	3.7
85.06517	4.6
91.05457	54.6
92.08759	11.6
93.07021	77.8
95.04943	55.4
95.08582	43.5
97.06515	12.8
97.10142	50.0
98.88339	1.8
102.95004	1.7
103.05491	2.6
105.03389	2.7
105.07004	37.8
105.88204	1.8
107.04949	10.5
107.08573	33.7
109.06507	20.5
109.10143	12.1
111.08087	4.2
113.05991	10.4
117.06972	17.7
119.04894	1.9
119.08553	23.4
121.06480	8.6
121.10124	18.0
123.08047	21.4
125.09605	31.6
128.06195	3.2
129.06995	8.2
131.08545	17.1
133.06468	2.7
133.10120	11.8
135.08054	11.2
135.11673	8.5
141.07024	2.7
142.07777	2.0
143.08531	4.0
145.06502	3.5
145.10106	10.6
147.07993	3.9
147.11742	2.9
149.09647	3.1
149.13205	2.7
157.10086	7.0
159.08070	1.9
159.11691	9.1
163.11250	2.3
171.11687	3.6
177.12822	2.9
189.11171	20.1
205.12204	2.5
211.13260	3.7
221.15407	4.3
223.13206	27.4
243.48677	2.1
273.18515	10.6
285.45386	2.0
291.19458	16.0
309.20517	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29089	1.0
53.00317	1.6
53.03941	2.4
55.01854	7.0
55.05502	14.3
56.74290	1.1
56.96566	1.3
57.03429	16.1
57.07063	5.5
58.14122	1.1
58.55450	1.0
67.05488	40.7
69.03409	3.1
69.07050	43.0
71.04970	12.8
71.93943	1.2
73.02877	4.7
77.03880	1.2
79.05470	45.1
81.03412	19.9
81.07037	35.4
83.04967	8.5
83.08595	5.1
85.06525	5.1
91.05451	25.3
93.07026	28.7
95.04949	31.5
95.08570	19.3
97.06506	100.0
97.10149	2.2
99.08031	4.6
105.03377	1.8
105.07002	26.7
107.04926	5.5
107.08578	18.4
107.14288	1.3
109.02826	1.9
109.06512	12.9
109.10135	9.8
115.07533	17.7
117.06965	11.3
119.08532	13.6
121.06463	2.6
121.10116	7.2
123.08028	2.9
123.11693	1.5
127.07516	1.3
128.06252	1.6
129.06967	6.5
131.08534	15.8
133.10092	10.5
135.08035	5.7
135.11621	3.0
143.08589	2.8
145.10101	6.7
147.07935	1.5
147.11665	3.0
149.09583	1.8
149.13210	2.9
151.04018	1.7
157.10051	2.3
159.11662	6.4
161.13179	1.8
163.11165	1.4
165.09084	1.5
171.11647	1.8
173.13161	1.9
177.12727	7.3
183.11687	2.1
195.13719	2.9
199.14713	1.5
223.13223	2.0
234.58755	1.4
249.14752	1.7
273.18393	5.6
291.19510	5.8
309.20438	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	344.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39075	3.9
55.01862	5.4
55.05503	34.9
57.03418	29.0
58.56780	4.1
63.18137	4.3
64.99629	5.1
67.05496	81.4
69.07062	100.0
71.04979	40.2
78.52446	4.3
79.05469	86.5
81.03410	39.7
81.03801	4.5
81.07036	81.2
83.04968	11.0
83.08610	7.8
85.02903	4.7
85.06497	5.7
91.05470	63.4
93.07024	77.0
95.04948	73.6
95.08583	51.3
97.06519	71.9
105.03339	9.8
105.07024	48.5
107.04949	10.6
107.08569	31.0
109.06493	28.7
109.10121	21.4
111.08048	6.3
113.05962	6.1
115.05424	6.8
115.07542	28.0
117.06976	21.8
119.08559	31.7
121.06478	5.7
121.10104	19.7
123.08057	6.5
125.09654	4.8
129.06950	11.3
131.08554	25.5
133.10095	10.7
135.07982	4.7
135.11687	7.3
137.09557	5.0
140.10672	4.3
141.06998	5.3
143.08609	7.2
145.10114	17.3
147.11630	5.2
149.09515	6.2
157.10104	5.3
159.11621	4.9
163.11131	4.6
173.13170	6.2
175.11108	5.6
177.12764	5.3
223.13374	6.5
233.50601	5.0
282.02982	4.9
291.19461	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.5
53.37578	0.6
55.01874	5.2
55.05489	0.6
57.03431	7.0
58.54728	0.6
61.02628	1.0
61.02914	16.4
63.84184	0.6
64.47834	0.6
66.18766	0.6
67.16353	0.6
69.03413	25.4
71.04955	3.5
73.02891	6.2
76.79463	0.8
79.05442	2.5
81.03399	12.5
81.07037	1.1
85.02889	100.0
87.04444	3.3
91.03937	5.9
92.09068	3.9
95.04925	1.2
95.73763	0.7
97.02872	30.9
97.56497	0.7
99.04424	6.0
103.05433	1.1
105.07020	34.1
109.02866	15.3
109.06501	1.0
114.65909	0.7
115.05458	0.8
124.05186	50.8
127.03905	14.4
133.06476	25.3
135.49753	0.7
137.05957	46.7
145.04941	15.4
150.06737	1.0
163.05917	1.3
165.09076	78.7
170.54552	0.7
180.08582	1.4
199.87376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.3
54.81742	0.5
54.92817	0.5
55.01864	4.9
57.03183	0.7
57.03428	7.5
59.04978	0.6
61.02917	12.9
67.05472	0.7
69.03072	0.9
69.03417	20.2
71.04958	3.2
73.02883	4.3
74.69128	0.6
77.35180	0.6
77.80371	0.6
79.05485	6.2
81.03387	8.2
81.07035	0.9
83.01301	1.1
85.02892	72.4
87.04441	1.5
91.03934	3.4
91.05494	0.9
92.09161	3.1
95.04925	1.3
97.02876	22.8
98.73122	0.6
99.04410	4.0
101.02369	0.9
103.05424	3.1
105.07017	58.8
109.02853	7.9
109.06494	1.2
111.04451	0.9
122.03592	0.9
124.05215	0.8
127.03896	10.4
129.83119	0.7
133.06470	77.6
137.05959	59.4
145.04948	9.4
148.90417	0.7
150.06715	0.6
151.07478	0.7
163.06067	0.7
165.09082	100.0
165.79152	0.6
170.59161	0.7
179.38089	0.6
180.08644	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	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03994	0.3
55.01845	1.6
55.05502	3.0
56.96537	0.4
57.03422	5.0
61.02909	3.6
67.05469	0.7
69.03410	18.2
70.06563	2.5
71.01324	0.4
71.04976	4.2
72.08124	0.6
72.82506	0.3
73.02904	3.4
75.04449	3.8
80.04900	0.3
81.03389	2.6
83.04958	8.3
84.08128	0.7
85.02888	17.8
85.06570	0.4
86.09663	0.7
87.04449	3.1
91.03947	0.5
91.05446	0.9
92.09055	0.4
95.04966	0.5
97.02876	6.0
98.97534	1.6
99.04424	4.7
101.05975	1.6
103.03907	2.4
108.08095	4.0
109.02856	2.0
110.07172	0.8
111.04418	6.0
111.16155	0.4
118.06504	0.9
119.01827	0.4
119.04887	1.4
123.04404	2.0
123.05535	0.6
126.65948	0.4
127.03865	4.7
129.05452	8.1
133.04974	0.5
134.99641	0.4
136.03951	1.6
136.06168	16.6
136.07536	100.0
138.05406	0.6
145.04930	2.2
147.04301	0.4
147.06488	5.7
148.03815	0.6
163.05963	0.8
164.05637	0.7
164.07005	12.1
164.10657	1.6
165.05449	0.6
165.07533	3.5
182.04498	19.8
182.08080	86.7
183.08588	2.0
189.07536	0.4
273.09601	0.8
291.07132	0.6
291.10516	0.7
308.11121	0.6
309.11676	2.1
326.12134	0.7
344.13138	2.9
344.16965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.2
61.02909	0.8
64.92918	0.2
66.54708	0.2
69.03403	1.3
72.65209	0.2
77.01199	0.2
81.03375	0.4
85.02888	4.3
86.09692	0.2
86.11649	0.2
87.04361	0.2
89.06025	2.6
91.05463	5.6
95.04916	0.3
97.02851	1.4
99.04397	0.3
106.02793	0.2
109.02881	0.3
119.04923	19.1
123.04416	0.3
127.03912	0.5
129.29385	0.2
133.08551	1.2
134.72105	0.2
145.04938	0.5
147.04391	100.0
148.04752	0.3
151.03864	0.4
164.10687	2.1
165.05438	21.0
180.08652	0.5
182.02692	0.3
182.08141	0.3
261.91089	0.2
274.54977	0.2
312.70496	0.2
327.19949	1.4
353.81561	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72092	0.3
53.03938	0.5
57.03413	1.7
60.58697	0.3
61.02905	1.9
69.03414	3.8
70.72037	0.3
73.02905	0.3
74.60819	0.3
81.03379	1.9
81.83899	0.3
83.13968	0.4
83.31703	0.3
85.02890	17.1
91.03903	0.5
91.05463	6.2
92.09000	1.3
97.02879	4.3
99.04434	0.6
109.02854	2.0
109.06509	0.5
117.09105	0.5
119.04913	44.0
119.38235	0.4
123.04390	2.0
127.03884	1.8
127.07539	0.5
131.54388	0.3
132.44064	0.4
145.04973	2.8
147.04387	100.0
150.61391	0.3
165.05432	31.9
180.08701	0.7
344.13358	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	23.5
55.01861	5.8
55.05511	2.1
57.03436	8.3
60.04520	1.8
60.56949	0.9
61.02921	11.4
69.03416	76.5
69.07064	2.4
71.04983	9.0
71.39976	1.1
73.02898	11.9
79.05450	1.3
80.05008	4.6
80.38483	0.9
81.03400	100.0
81.07036	1.9
85.02892	74.2
92.08847	4.8
95.04937	1.9
95.08621	1.0
95.78448	1.3
96.20126	1.3
97.02870	41.0
98.06034	1.0
99.04428	18.7
103.03923	2.2
105.03371	1.5
105.07074	1.3
107.08583	1.5
108.04464	29.9
108.05157	1.5
109.02867	81.9
109.06580	1.3
119.08549	1.8
121.10149	1.3
126.05488	9.4
127.03890	68.8
133.04927	1.4
145.04948	13.2
169.04924	4.2
174.89148	1.2
187.05981	60.5
204.08542	2.0
205.07039	34.7
260.77249	1.0
326.14871	1.6
340.16077	1.2
356.89661	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03930	3.1
55.01855	6.0
55.05508	24.0
57.03431	15.2
57.07071	8.5
59.04977	5.5
59.42368	3.6
67.05495	52.9
69.03425	7.3
69.07060	16.5
71.04989	15.5
79.05481	63.1
80.21485	2.9
81.07033	37.5
83.04955	4.2
83.08608	5.5
91.05460	38.7
93.07026	72.4
95.04955	39.9
95.08586	100.0
97.06503	8.2
97.10163	5.3
98.97560	3.5
105.07017	65.9
107.08582	68.6
109.06512	21.6
109.10145	6.0
117.07021	22.9
117.91196	3.6
119.08590	37.6
121.06486	6.7
121.10137	17.5
123.08065	19.1
125.09661	7.0
130.07831	12.4
131.08582	7.1
133.10117	13.8
135.08055	7.6
135.11652	6.8
143.08554	8.6
145.10098	47.3
147.08099	6.5
147.11710	4.2
151.07576	24.6
161.09605	4.8
163.11118	28.8
165.09138	6.6
171.11726	3.8
175.07872	32.3
195.11591	4.8
198.10287	4.0
221.15337	7.2
226.02110	3.7
343.18698	18.9
343.22623	73.0
343.26627	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	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
57.03427	1.1
57.53448	0.2
61.02905	2.3
61.59681	0.3
61.88123	0.2
69.03110	0.3
69.03420	4.2
71.04963	0.3
72.69564	0.2
73.02888	0.3
75.05213	0.2
81.03408	0.6
85.02888	15.2
87.04438	0.3
91.03930	0.4
91.05453	4.5
92.08954	1.4
97.02854	3.6
109.02847	1.4
119.04914	21.8
123.04388	2.2
124.71512	0.3
127.03896	2.3
145.04918	1.6
147.04387	100.0
148.04730	0.4
149.84593	0.3
165.05438	26.1
180.08656	0.6
193.05020	0.3
200.96684	0.3
263.12082	0.3
266.40067	0.3
277.61346	0.3
292.72147	0.3
311.37939	0.3
312.21353	0.3
315.06635	0.3
318.09137	0.3
332.07272	0.3
344.13388	0.6
356.72198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.59856	1.2
53.00314	1.1
53.03934	5.9
54.81849	1.2
55.01874	9.4
55.05260	1.7
55.05506	28.1
57.03428	9.5
57.07065	12.5
57.25583	1.0
59.04985	3.0
65.03922	1.8
67.05496	37.9
69.03421	13.0
69.07054	9.1
69.29598	1.3
71.04974	15.1
79.04374	1.1
79.05476	36.5
81.03404	5.7
81.07040	35.6
83.04967	8.7
83.08608	5.2
85.06549	5.7
91.05465	48.6
92.08746	4.8
93.07026	78.6
95.04951	63.4
95.08589	85.0
97.06516	21.3
103.05412	5.1
105.04464	1.8
105.07016	100.0
107.04955	5.1
107.08582	58.7
107.09292	2.3
109.06507	16.9
109.10144	8.2
111.08070	1.8
115.05459	6.6
116.06224	2.5
116.98595	1.4
117.07001	37.8
119.05956	1.2
119.08566	40.0
121.06488	20.4
121.10118	19.3
123.08054	32.3
123.11687	1.6
124.90029	1.2
125.09612	2.5
128.06198	8.2
129.06944	9.8
130.07768	23.6
131.08559	16.9
133.06487	8.1
133.10112	17.9
135.08028	19.1
135.11665	10.3
137.05971	2.3
137.09636	6.1
141.06934	2.6
142.07764	10.6
143.08525	15.4
144.09326	5.5
145.06465	3.0
145.10110	65.3
147.08028	12.2
147.11699	7.2
149.09604	6.8
151.07504	30.0
155.08545	2.7
156.09308	5.8
157.10083	15.7
158.10921	2.2
159.08043	6.0
159.11659	12.0
161.09605	7.1
161.13222	2.0
163.11168	30.7
165.09085	11.0
167.08528	2.7
168.09392	1.4
169.10117	6.0
170.10820	1.7
171.11691	7.2
173.09586	6.5
173.13184	2.7
175.11203	5.9
177.09084	5.0
179.07018	1.5
179.08620	1.4
179.10597	1.4
181.10086	3.1
182.10869	1.9
183.11656	4.8
185.09650	2.7
185.13292	2.6
187.11194	6.3
189.12779	8.6
192.09283	1.5
193.10112	2.0
195.11720	3.0
197.09616	1.4
197.13298	5.7
201.12703	1.8
203.14360	2.9
207.11855	2.1
207.13818	6.0
209.13275	1.8
211.14838	1.4
221.15320	14.4
223.14850	1.7
233.15349	2.4
241.15961	2.1
269.15628	2.4
274.19229	1.7
325.21518	9.8
343.22650	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
55.01859	3.3
55.05502	3.3
57.03175	0.7
57.03421	6.3
57.07060	0.9
61.02913	8.1
64.33491	0.7
67.05476	1.0
67.08405	0.6
69.03413	24.9
69.07050	3.1
71.01353	0.9
71.04963	3.7
73.02891	3.2
78.37216	0.7
79.05472	7.7
81.03397	8.1
81.07042	17.1
83.04954	10.7
85.02886	48.4
85.58593	0.8
87.04441	1.4
91.03929	1.4
91.05441	10.4
92.08689	4.1
92.09312	2.8
93.07024	18.1
95.04313	1.4
95.04939	37.4
95.08579	3.1
97.02866	14.0
97.06515	7.1
99.04456	1.6
103.05427	0.9
105.07005	16.0
107.04918	1.8
107.08582	18.3
109.02869	5.8
109.06482	4.4
110.42858	0.7
117.06957	6.0
119.08540	9.6
121.06495	8.8
121.10123	20.5
123.08067	1.9
125.05963	11.7
127.03894	7.5
130.07764	5.9
133.06499	0.9
133.10118	4.1
135.08011	1.4
135.11682	12.1
137.05913	0.8
143.08525	1.5
145.04936	5.5
145.08966	1.6
145.10103	32.8
147.07985	1.5
149.05919	1.0
161.09514	1.3
163.11143	100.0
177.05472	1.1
181.12190	12.3
184.21642	0.8
184.23224	1.1
187.11104	1.1
223.13249	0.9
251.09045	0.9
300.18350	0.7
312.47931	0.9
343.17517	1.5
351.83893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47217	0.8
52.31490	0.7
53.03936	5.5
55.01856	3.8
55.05500	1.1
57.03433	11.7
57.07060	1.0
57.20850	0.8
59.04988	1.8
61.02918	16.8
61.25214	0.8
67.05486	4.1
67.52040	0.8
69.03071	1.8
69.03418	37.7
69.07076	1.2
71.04981	7.1
73.02898	5.5
79.05476	4.2
81.03396	20.3
81.07030	9.1
83.01310	1.3
83.04988	1.1
85.02888	100.0
85.06527	5.4
86.09689	1.6
87.04452	6.2
91.03930	4.1
91.05455	4.8
92.08722	2.1
92.09303	1.8
93.07011	13.0
95.04945	29.1
95.08581	9.1
97.02869	38.1
97.06499	2.2
99.04419	3.9
105.07012	9.1
107.08562	15.3
109.02831	11.5
109.06482	11.6
109.10115	1.9
117.06958	1.5
119.08570	5.7
121.06464	9.2
121.10108	9.3
123.08067	5.4
125.05936	1.1
127.03876	16.6
130.07776	2.0
133.10085	2.0
135.08054	1.6
135.11659	9.0
137.09647	1.2
137.13214	1.5
139.00595	0.9
145.04930	13.7
145.10088	15.1
147.11673	5.4
163.11133	45.3
165.12677	7.4
181.12187	46.8
205.12152	1.4
223.13266	5.0
343.17334	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	343.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
55.01859	0.3
55.05479	0.3
57.03410	1.3
61.02920	0.3
64.97663	0.2
67.05482	0.5
69.03416	9.0
69.07076	0.3
71.04968	0.4
74.12585	0.2
76.45583	0.2
77.03921	0.5
79.05471	10.3
81.03397	8.8
81.07019	0.5
85.02887	14.8
85.06490	0.2
92.09186	0.3
93.07027	0.5
95.04945	7.6
95.08588	0.3
97.02859	4.2
99.04445	1.5
105.03370	100.0
105.06985	0.6
107.08537	0.4
109.02861	5.3
109.06558	0.2
110.45503	0.3
119.08514	0.3
121.10105	0.4
123.04403	14.2
127.03893	4.2
131.08499	0.3
137.05975	0.4
145.04941	0.5
145.10074	0.2
163.11125	0.5
231.06624	0.3
249.07520	5.7
267.08545	8.2
267.11182	0.5
294.52902	0.2
337.72375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.4
53.03952	3.8
55.01851	0.3
55.05499	0.3
56.11930	0.3
57.03428	0.8
69.03419	9.2
71.04968	0.5
77.03913	0.4
79.05048	0.6
79.05477	9.6
81.03402	10.0
81.07020	0.5
85.02893	16.0
87.08020	0.3
92.09081	1.0
93.07037	0.6
95.04947	8.4
95.08598	0.4
97.02876	4.1
99.04443	1.2
105.03378	100.0
105.04534	2.8
106.03764	0.4
107.08549	0.5
109.02862	5.3
120.18851	0.3
123.04419	14.7
127.03894	5.2
145.04984	0.7
145.10144	0.5
153.66978	0.3
249.07556	5.8
267.08578	10.3
279.95328	0.4
307.62891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
53.76313	0.6
55.01865	6.2
56.96553	0.6
57.03420	0.6
59.04984	0.8
61.02906	0.6
63.23861	0.6
66.38759	0.6
67.42162	0.7
69.03412	3.9
70.06602	1.6
71.04987	3.1
73.02888	1.4
74.27790	0.8
79.05479	10.7
81.03397	3.3
81.07043	1.4
85.02896	6.9
87.04421	0.8
91.05486	3.0
94.04174	1.2
95.04942	1.5
97.02905	3.9
101.06017	1.4
103.05457	6.6
105.07021	81.9
109.02850	1.1
109.06492	3.2
109.07210	0.7
115.05562	1.0
117.09124	0.8
119.04963	0.9
122.03641	6.3
124.05243	1.1
127.07561	1.0
127.11212	4.8
128.11569	1.0
131.04964	1.4
133.06477	97.5
137.05963	100.0
147.04401	6.1
149.25941	0.6
151.07603	1.3
159.51479	0.7
163.03964	1.1
163.07556	0.7
165.05479	0.8
165.09097	29.1
181.04907	4.1
200.81760	0.7
253.89600	0.8
335.70163	0.7
343.13617	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	343.1235
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
52.24611	0.5
53.03930	2.2
55.01866	14.1
55.05505	0.7
56.78831	0.5
57.03173	0.8
57.03429	14.9
59.04983	0.5
61.02910	8.8
61.92273	0.5
63.48785	0.4
69.03415	49.1
70.06567	2.3
71.01337	0.8
71.04970	3.3
72.08140	7.6
73.02895	8.8
73.08490	0.6
76.56271	0.5
81.03392	6.2
83.01329	0.6
83.04948	1.2
85.02888	100.0
86.09714	0.6
87.04453	3.0
91.03894	0.6
92.09052	1.3
93.75906	0.5
94.96910	0.5
97.02869	33.5
98.97543	0.5
99.04429	10.0
101.02358	10.6
103.03928	1.9
104.07048	0.6
109.02861	11.0
111.04451	1.1
115.03886	4.4
116.98573	0.7
117.09315	0.5
118.08662	1.2
119.01982	0.6
119.08978	0.7
120.01936	0.6
127.03887	63.2
129.05421	0.8
133.06450	1.0
136.07579	0.8
137.06026	0.7
145.04938	30.7
152.99971	0.5
163.04738	0.8
163.05966	7.0
223.06378	0.7
227.56505	0.5
241.07605	0.6
358.99869	0.6
360.69205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1022
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
53.03925	0.4
53.37617	0.3
55.05489	2.3
57.03416	0.7
57.07067	0.4
57.47382	0.2
59.04985	4.3
59.62237	0.2
61.02903	0.5
63.02345	0.6
67.05476	2.2
69.03409	3.6
69.07030	0.3
70.06570	0.7
71.04952	0.5
73.02913	0.4
73.06503	1.1
73.43170	0.3
74.34067	0.3
79.05457	1.8
80.74918	0.3
81.03392	2.1
81.07040	1.2
84.08145	0.4
85.02890	7.3
85.03381	0.6
85.06519	4.8
86.03221	0.5
86.06858	0.4
87.04465	3.7
88.04775	0.3
89.03892	7.0
91.05461	0.7
95.04942	1.5
97.02852	4.0
99.04404	0.4
99.08048	0.6
101.05996	0.5
102.31005	0.3
105.03365	0.7
105.05470	2.0
107.04932	4.0
109.02850	0.6
109.06496	0.4
109.10136	1.4
110.10526	0.4
110.35921	0.3
111.04420	0.5
117.03353	9.3
117.09097	1.8
119.04923	1.5
123.04388	2.9
124.04678	0.3
127.03886	3.5
127.07526	2.0
128.04237	0.5
132.04434	3.1
133.02817	2.0
135.03468	0.9
135.04382	24.3
137.05962	0.4
145.02826	17.2
145.03952	0.7
145.04929	1.4
147.04382	2.3
150.05486	0.5
151.03908	0.7
152.04201	0.4
163.03867	100.0
163.09612	1.6
164.10036	0.4
165.42337	0.3
179.03349	7.8
180.03690	6.6
181.05063	16.6
249.09636	0.5
295.27136	0.4
343.09750	0.5
343.13547	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	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13736	4.6
54.10962	4.6
55.01869	5.1
55.05507	42.7
56.05836	5.0
67.05495	58.5
69.07059	64.4
70.30386	4.4
71.04973	12.4
71.85236	4.6
72.56660	4.7
79.05484	58.8
81.03405	6.7
81.07047	100.0
83.04961	5.0
83.08602	25.3
85.06531	10.1
86.64225	4.6
88.07620	5.5
91.05465	53.4
92.08829	19.0
93.07026	48.4
95.04951	22.5
95.08600	55.2
97.06492	8.8
105.07035	52.9
107.04893	5.1
107.08573	25.6
109.06502	22.3
109.10135	10.6
111.08084	8.3
117.06985	10.2
119.08568	36.8
121.10113	10.9
129.06984	9.3
131.08537	22.5
133.10091	20.5
145.10126	10.0
147.11665	24.0
149.09628	7.4
161.13223	10.3
171.11678	5.8
173.13153	6.2
197.13261	6.4
207.13945	7.0
234.01547	4.8
293.20248	10.6
302.72403	5.1
342.33685	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	31.8
55.05500	44.6
57.07055	23.5
66.08598	5.5
67.05489	36.8
69.07047	26.7
71.08649	5.3
71.43502	5.6
71.59313	6.0
79.05480	13.6
81.03406	7.0
81.07050	47.7
83.08598	6.8
85.06535	9.1
91.05472	10.9
92.09117	11.4
93.07019	13.2
95.04972	12.6
95.08602	14.4
97.60716	5.9
100.36368	6.5
100.61387	6.1
105.06992	29.7
107.08595	10.9
109.10145	40.7
111.04436	9.5
119.08591	8.1
125.09608	14.1
133.10120	28.2
151.11165	11.9
275.19907	6.9
324.32510	7.8
342.33704	10.4
342.37262	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	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13736	4.6
54.10962	4.6
55.01869	5.1
55.05507	42.7
56.05836	5.0
67.05495	58.5
69.07059	64.4
70.30386	4.4
71.04973	12.4
71.85236	4.6
72.56660	4.7
79.05484	58.8
81.03405	6.7
81.07047	100.0
83.04961	5.0
83.08602	25.3
85.06531	10.1
86.64225	4.6
88.07620	5.5
91.05465	53.4
92.08829	19.0
93.07026	48.4
95.04951	22.5
95.08600	55.2
97.06492	8.8
105.07035	52.9
107.04893	5.1
107.08573	25.6
109.06502	22.3
109.10135	10.6
111.08084	8.3
117.06985	10.2
119.08568	36.8
121.10113	10.9
129.06984	9.3
131.08537	22.5
133.10091	20.5
145.10126	10.0
147.11665	24.0
149.09628	7.4
161.13223	10.3
171.11678	5.8
173.13153	6.2
197.13261	6.4
207.13945	7.0
234.01547	4.8
293.20248	10.6
302.72403	5.1
342.33685	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.7
55.01863	24.7
55.05277	1.9
55.05503	36.8
57.03406	8.1
57.07062	23.5
58.06560	1.7
60.94316	1.2
62.06054	7.6
67.05491	73.8
69.03395	6.6
69.07049	20.6
71.04949	2.5
71.08594	9.2
79.05477	33.3
81.03396	12.9
81.07032	66.9
83.04955	17.7
83.08601	10.9
85.06506	8.3
85.10143	2.6
91.05458	40.5
92.08818	4.7
92.09361	2.5
93.07015	36.3
95.04935	17.9
95.08575	32.1
97.06494	8.7
97.10137	7.4
101.55427	1.7
105.07014	47.1
107.04924	10.7
107.08564	44.1
109.06486	10.0
109.10136	51.6
111.04394	1.6
111.08031	3.1
115.07507	1.5
117.06966	8.5
119.08569	16.8
121.06492	3.2
121.10107	9.7
123.08013	7.2
123.11687	13.7
125.09592	12.7
131.08539	13.1
131.50969	1.7
133.10104	70.4
135.08017	2.0
135.11664	6.5
137.09560	12.3
143.08469	1.5
145.10097	8.4
147.11620	2.8
149.09576	7.6
151.11153	49.9
156.17395	2.3
159.11636	6.4
163.11137	6.5
165.09027	2.2
167.01009	1.4
171.11584	1.7
173.13219	5.9
174.18463	2.6
177.12679	2.3
179.10612	6.5
183.13818	16.3
191.14319	2.9
209.11798	2.1
211.77705	1.5
229.19376	2.9
230.24780	3.1
247.20497	1.6
257.18988	2.8
275.20013	31.9
286.30945	7.5
293.21008	9.8
307.22583	19.5
342.37192	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	342.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.01863	4.9
55.05506	44.8
57.03431	3.9
57.07051	2.4
57.24527	1.8
59.04996	3.8
64.33157	2.3
67.05493	100.0
69.03420	4.5
69.07054	44.4
71.04991	7.6
71.34103	2.4
78.91856	1.9
79.05472	75.5
81.03405	8.9
81.07041	67.0
83.04961	10.2
83.08604	18.2
85.06510	4.4
91.05463	57.6
91.06004	3.9
92.08937	4.3
93.07021	65.7
93.07944	2.2
95.04964	23.8
95.08587	46.9
97.06520	10.8
97.10127	20.2
105.07013	55.6
105.07656	3.3
107.04945	3.7
107.08574	42.3
109.06463	7.5
109.10142	45.4
111.08052	2.5
117.07003	12.3
118.91572	2.0
119.08559	39.1
121.06515	4.2
121.07710	1.9
121.10110	25.2
123.08088	4.0
123.11678	2.1
125.09625	15.7
129.06964	4.9
130.07806	2.2
131.08513	16.4
133.10112	24.0
135.07996	3.5
135.11708	3.1
137.09671	7.6
143.08507	2.6
145.10091	13.4
147.08031	3.2
147.11681	13.8
149.09613	3.7
157.10138	3.8
159.11687	8.9
163.11136	2.5
173.11717	17.9
173.13214	8.4
187.13240	2.7
193.12209	3.1
194.79869	2.4
203.12720	3.4
229.19585	2.5
239.17929	3.0
257.18848	2.2
275.19943	23.6
289.21478	4.3
300.35144	2.3
307.22629	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.8
55.01855	3.1
55.05506	32.9
55.26649	1.9
57.03419	12.1
57.07070	2.3
67.05149	4.3
67.05492	100.0
68.85365	1.8
69.03403	8.5
69.07050	35.9
71.04955	4.8
79.05002	2.3
79.05471	67.8
81.03394	11.8
81.07036	82.4
83.04960	11.7
83.08598	16.0
85.06509	5.0
88.46194	2.1
91.05466	73.3
92.09016	11.1
92.42332	2.0
93.07022	65.5
95.04955	20.2
95.08578	57.3
97.06480	17.1
97.10162	3.2
105.07011	48.8
107.04912	4.6
107.08574	32.4
109.06489	10.9
109.10136	46.6
111.08077	4.2
115.05418	2.3
117.07013	16.7
119.08556	45.0
121.06484	3.1
121.10104	21.6
123.08041	2.9
123.11694	2.3
128.64268	2.0
129.06963	10.0
130.07742	2.1
131.08548	26.2
133.10100	34.2
135.08052	4.9
135.11665	10.8
137.09590	8.0
141.06912	2.7
143.08511	3.9
145.10110	14.3
147.11636	11.5
149.09589	4.2
149.13232	3.4
155.08563	3.2
155.10643	3.2
157.10078	4.5
159.11684	12.1
161.13164	3.5
163.11212	3.6
171.11615	3.5
173.11699	17.8
173.13220	12.3
185.13214	8.2
187.13275	4.2
195.13913	2.9
203.14273	2.7
235.16833	5.0
239.17931	3.9
247.20506	2.7
257.18939	7.7
275.19980	26.5
289.21527	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	342.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01858	1.0
55.05268	0.6
55.05506	14.1
56.77028	0.4
57.03409	3.3
57.07068	28.8
59.04976	0.7
59.15921	0.4
61.02915	4.1
63.04455	0.8
69.03420	9.5
70.06564	0.7
71.04964	1.0
73.02890	1.2
81.03416	3.7
83.01338	0.6
83.08606	4.9
85.02888	32.0
87.04436	0.9
87.17262	0.5
89.06010	56.9
91.03935	1.0
92.09161	1.2
93.36777	0.5
94.02926	0.5
97.02876	9.7
99.04428	0.8
101.09636	22.6
107.07051	39.7
109.02843	2.0
127.03915	4.3
140.30043	0.5
145.04909	2.5
145.12285	0.6
147.04338	0.6
163.13258	100.0
168.08653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.3
55.01865	5.5
55.05505	56.6
57.03421	4.1
59.04989	3.3
63.34142	2.4
64.32795	2.3
64.74222	2.8
66.14106	2.3
67.05491	38.4
69.03411	5.0
69.07056	21.5
75.92727	2.1
76.36410	2.2
79.05473	44.5
81.06597	4.9
81.07041	100.0
83.04955	5.7
83.05529	2.1
83.08618	33.4
84.08169	2.6
85.06516	2.9
91.05453	28.1
92.09149	4.2
93.07019	25.2
95.04917	3.7
95.08591	25.7
97.06488	6.0
97.10147	69.0
98.97581	2.7
105.07008	40.2
107.04900	2.9
107.08584	64.9
109.06514	16.2
109.10149	3.0
117.06962	3.4
119.08591	27.2
121.10147	14.0
123.08016	3.0
123.11681	11.8
125.09608	58.5
131.08553	4.6
133.10123	14.4
135.08034	12.6
145.10106	5.0
147.11652	37.0
153.09108	4.0
157.10106	3.3
165.12685	5.4
178.12271	2.7
189.11375	3.4
193.12268	2.9
197.15349	4.3
203.12776	29.1
238.69894	2.6
239.17873	3.3
257.19025	10.5
275.19949	54.8
289.21448	12.8
307.22571	28.2
325.29330	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52699	0.2
55.01876	0.2
55.05504	6.0
57.03419	0.3
57.05811	0.4
62.06070	0.8
63.63774	0.2
69.03414	0.8
70.06567	0.2
72.08135	100.0
73.02892	0.2
83.04952	0.2
85.02888	2.2
87.04425	0.3
90.64792	0.2
92.08971	0.3
97.02874	0.7
99.02676	0.2
99.08023	0.2
117.09138	0.3
118.08630	37.3
124.59624	0.2
126.36419	0.2
127.03878	1.0
127.07552	0.2
145.04900	0.4
145.08549	0.3
146.65994	0.2
163.05975	0.2
178.02835	0.2
216.19153	0.2
305.77341	0.2
362.85388	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
54.09871	0.5
55.05506	0.8
57.03428	11.3
59.04995	1.3
61.02921	4.5
63.08390	0.5
69.03407	6.0
71.04971	3.9
71.08617	8.8
73.02896	1.2
79.05473	3.1
81.03407	2.7
81.07035	20.8
85.02888	23.2
85.06528	5.1
97.02864	5.5
99.04431	1.0
99.08075	29.9
109.02871	2.9
109.06502	31.6
109.10157	1.1
113.50788	0.6
117.09110	100.0
127.03905	3.5
127.07532	45.7
135.04391	0.7
140.73260	0.6
141.00484	0.6
145.04922	2.6
163.09628	25.0
179.03342	2.5
180.03654	1.3
181.77364	0.6
196.58134	0.6
238.67386	0.6
264.34769	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	0.8
55.05503	57.7
57.03424	1.5
57.07065	33.6
59.04989	1.2
67.05489	18.3
68.64339	0.7
69.03412	1.6
69.07053	100.0
70.89739	0.8
71.04960	1.3
71.08617	23.4
73.06549	1.2
79.05466	7.0
81.07038	51.5
83.04974	1.8
83.08601	61.6
84.34769	0.9
85.06524	11.4
85.10167	10.7
91.05468	6.2
92.08791	4.9
93.07025	14.2
95.08003	2.0
95.08586	47.6
97.06509	10.0
97.10149	38.8
97.10754	1.8
99.11694	1.5
105.07024	11.3
107.08569	16.5
108.16280	0.9
109.06503	5.3
109.10146	22.4
111.08058	6.8
111.11703	19.5
115.07548	5.0
119.08580	12.9
121.10109	10.5
123.08038	4.5
123.11678	13.4
125.09576	1.7
125.13258	6.1
127.07522	4.1
129.09117	4.4
133.10120	11.1
135.11641	8.5
137.09636	4.6
137.13232	2.3
139.11165	1.8
139.14801	2.1
141.09071	1.5
147.11641	9.4
149.13260	6.2
151.11171	4.7
151.14735	1.1
153.12750	2.3
155.10638	1.1
161.13216	9.7
163.14876	1.5
165.12753	5.1
167.14340	1.4
171.13789	1.1
175.14845	5.3
177.16428	1.4
179.14236	8.6
183.13728	1.2
189.16451	1.3
193.15886	1.2
197.15288	1.4
207.17349	1.6
211.17021	1.1
213.18539	1.3
241.21498	1.3
249.22227	1.0
263.27267	1.9
287.27344	5.7
305.28333	5.9
323.29807	1.2
341.26459	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	341.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34065	1.3
53.03953	1.5
54.77668	1.1
54.89420	1.3
55.05508	19.0
57.07057	3.0
59.05005	1.4
67.05489	25.7
69.07050	19.1
71.04979	24.3
71.30115	1.3
79.05477	26.3
80.37001	1.3
81.07037	89.2
83.08598	11.0
85.06548	2.7
86.92275	1.6
88.65376	1.5
91.05441	21.3
92.08767	3.4
92.09280	2.0
93.07023	100.0
95.04939	8.0
95.08579	78.2
97.10137	8.3
104.95605	1.7
105.07011	55.8
107.08579	77.3
109.06506	8.5
109.10138	39.4
111.08065	10.3
111.11722	1.5
112.67651	1.4
117.07005	7.7
119.08565	79.0
121.10127	60.1
123.08032	2.2
123.11662	16.8
130.07823	1.7
131.08533	18.6
133.10095	26.7
135.11671	32.6
137.09593	6.2
137.13260	2.6
143.08487	5.9
144.09306	2.0
145.10120	22.3
147.11681	20.5
149.13229	38.4
151.11140	1.8
155.08559	3.5
157.10115	12.3
158.10832	1.8
159.11665	39.0
161.13211	18.0
163.14796	29.8
169.10089	3.0
171.11700	9.0
173.13190	20.9
175.14780	11.2
177.12749	2.0
185.13254	5.7
187.14777	19.3
189.16370	10.9
191.17865	19.4
197.13235	2.3
199.14816	6.7
201.16345	6.3
203.17966	2.3
211.14735	2.5
213.16383	6.4
215.17976	9.8
217.19441	2.4
225.16359	2.8
227.17900	9.2
229.19449	2.6
231.17679	1.8
239.17712	2.8
241.19466	2.4
246.99525	1.8
253.19576	2.6
257.22604	6.0
267.20993	3.0
278.30658	1.7
283.24100	25.2
292.43558	2.2
323.27261	22.7
341.28333	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	341.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42213	2.7
55.05501	28.2
57.07059	8.3
64.33526	3.0
65.41325	3.5
67.05503	27.5
67.24194	3.7
69.07052	36.8
71.04964	20.3
71.08586	4.0
74.16730	3.1
77.67035	3.3
79.05468	23.0
81.06589	6.7
81.07033	100.0
83.08589	18.1
85.10110	3.9
88.32478	4.0
91.05463	20.9
92.08536	3.6
92.09112	16.3
93.07008	90.0
95.08582	76.9
97.10146	7.4
105.06998	39.5
107.08561	56.8
109.06517	8.9
109.10146	34.3
110.04195	3.9
111.08014	4.6
111.11661	6.1
117.07016	7.3
119.08553	81.0
121.10127	52.3
123.11696	17.1
129.06982	3.8
131.08551	7.0
133.10040	26.3
135.11658	19.4
137.13219	4.3
138.25812	3.8
143.08516	3.9
145.10106	8.9
147.11684	19.4
149.13219	32.3
157.10098	7.5
159.11644	30.7
161.13232	19.5
163.14748	20.3
166.42834	4.5
169.10075	5.1
171.11662	4.6
173.13243	18.9
175.14827	9.2
187.14848	14.0
189.16348	14.2
191.17902	17.7
199.14786	6.6
215.18054	6.6
222.06720	3.7
227.17892	6.2
257.22842	4.6
258.38879	3.9
273.51874	3.7
283.24155	24.7
323.27267	14.4
341.26849	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	341.0865
Annotation	AESCULIN
Peak:m/z	Relative Intensity
54.75354	0.1
55.05482	0.2
57.03400	0.1
57.90815	0.1
59.04984	0.1
61.02910	0.2
69.03397	0.9
71.04958	0.2
77.03905	0.2
79.05446	0.3
81.03392	0.2
84.08066	0.2
85.02907	1.3
89.03877	0.9
91.05424	0.2
92.08704	0.3
92.09210	0.2
95.04918	0.3
96.16650	0.1
97.02851	0.2
99.51876	0.2
105.03392	1.1
108.46648	0.2
109.02831	0.6
117.03347	0.8
119.04913	0.8
120.05293	0.2
123.04402	16.7
125.09581	0.3
133.02820	14.9
135.04378	2.5
135.08099	0.1
143.10634	0.8
144.10950	0.2
147.04350	1.1
148.04758	0.7
149.04919	0.6
151.03877	6.0
154.62416	0.2
179.03355	100.0
180.03703	0.3
208.93024	0.2
307.45804	0.2
341.12091	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01848	0.4
55.05501	0.7
55.64588	0.3
57.03407	1.4
57.82234	0.3
59.19250	0.3
60.98424	0.2
61.02905	2.1
69.03422	3.0
69.07056	3.3
70.07381	0.6
71.04971	0.4
73.02905	0.5
79.05460	0.6
81.03394	1.9
81.07040	1.4
83.08591	0.5
85.02888	10.2
91.03919	0.5
91.05460	0.6
92.08688	0.3
92.09174	0.6
93.07035	0.4
95.08575	0.7
97.02877	3.2
105.03336	0.4
105.06994	1.5
106.39771	0.3
107.08582	0.5
109.02843	0.4
115.05460	0.3
117.05734	0.4
117.06989	3.6
122.03625	0.6
127.03915	0.8
129.06999	0.6
130.06485	0.6
132.08026	0.5
133.06488	0.4
134.46198	0.3
137.05951	5.6
143.07292	2.9
143.08307	0.4
143.14319	0.5
144.08069	100.0
145.02861	0.6
145.04961	0.6
145.06453	0.4
155.06107	0.4
156.08055	1.7
157.08893	0.4
158.09636	9.2
160.07494	0.7
161.05989	0.3
162.09116	35.2
168.08066	2.1
172.07524	0.3
174.06757	0.4
174.09099	1.4
175.07547	0.4
177.05438	0.5
179.07051	0.5
182.09573	0.3
184.07564	1.6
186.09128	6.0
187.07503	1.3
189.09142	0.5
191.08636	0.5
203.08575	0.6
204.10219	4.0
210.09273	0.4
219.07983	0.6
231.08083	0.6
248.08356	0.7
252.10045	0.4
279.10208	0.4
288.12234	2.6
291.10297	0.4
306.13278	3.7
323.12671	0.5
324.14261	0.4
341.13943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09500	2.4
53.99104	2.8
55.01865	16.8
55.05500	36.8
57.03416	12.2
57.07063	4.4
63.16621	2.4
67.05492	78.2
69.03426	5.4
69.07051	16.3
71.04957	4.2
73.83250	3.0
79.05483	33.7
81.06595	5.0
81.07037	90.2
83.04973	72.9
83.08623	4.2
85.06535	6.2
91.05459	71.9
92.08939	5.4
93.07018	53.9
95.04937	16.8
95.08584	26.7
105.07007	70.6
107.04935	6.4
107.08574	57.7
109.06517	12.5
109.10146	75.5
117.07007	7.1
119.08570	17.7
121.06548	6.2
121.10111	13.6
123.11668	20.4
131.08554	15.6
133.06451	6.0
133.10100	100.0
135.08044	6.9
143.08498	3.3
145.10112	3.1
147.11676	5.1
147.83412	2.9
149.09616	5.1
151.11185	64.5
157.10052	3.6
159.11671	11.7
161.09599	3.7
177.09088	4.2
179.10677	4.5
183.13745	13.3
273.18277	12.9
291.19611	12.4
305.21014	20.9
323.22086	3.9
359.86441	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	340.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.9
53.03927	1.8
55.01867	8.3
55.05506	41.2
57.03431	12.8
67.05495	26.6
69.03413	6.4
69.07053	19.7
69.73949	0.9
71.04986	2.0
79.05476	32.3
81.03393	9.5
81.07036	29.2
81.07478	1.6
83.04964	7.6
83.08601	14.7
85.06541	4.4
91.05465	17.0
92.09046	4.4
93.07027	21.0
95.04964	10.1
95.08581	14.0
96.01604	1.1
97.02864	4.9
97.06510	4.7
97.10143	20.2
105.07011	16.8
107.04943	10.6
107.08574	17.5
108.04652	0.9
109.06509	6.0
109.10153	5.4
111.08105	1.6
117.07014	7.7
119.04919	1.1
119.08556	13.6
121.06491	5.8
121.10112	4.8
123.08042	5.5
125.09630	15.3
127.07538	1.9
129.06978	5.6
130.07770	1.1
131.08546	7.0
133.06468	3.8
133.10088	4.3
135.08046	7.1
135.11674	1.6
137.09576	2.1
143.08563	2.0
145.10124	6.3
147.08020	3.8
147.11707	2.3
149.02252	1.1
149.09589	1.4
153.09070	1.1
157.10133	1.9
159.11623	3.9
161.09604	1.9
161.13216	1.0
163.11159	2.1
165.09143	1.0
171.11694	1.9
175.11098	1.2
193.12196	1.4
203.12808	6.2
223.13278	7.9
249.14824	5.1
263.19931	1.1
273.18433	11.4
277.21777	1.5
291.19479	100.0
305.21191	8.4
323.21967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2527
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
51.15670	1.7
55.05509	17.6
55.86183	1.7
56.96541	2.7
57.03416	8.4
57.07062	5.0
65.03926	2.6
67.05148	3.9
67.05495	100.0
69.07055	18.9
79.05050	3.6
79.05473	55.1
79.33429	2.3
81.07041	98.9
83.04960	2.5
83.08592	10.1
84.23452	2.3
91.05472	26.1
91.71463	1.9
92.08808	12.8
93.06490	3.9
93.07029	73.0
95.04947	3.1
95.08587	87.3
97.06493	2.6
97.10119	2.8
98.97575	24.4
100.02444	3.4
105.07028	30.8
107.08585	46.4
109.06470	2.5
109.10144	50.9
116.98596	20.0
117.07008	16.3
118.03495	2.8
119.08550	20.5
120.03194	2.1
121.10132	39.3
123.11671	10.2
131.08560	23.0
133.10089	16.6
134.99683	15.5
135.11682	28.2
137.13289	2.6
143.08479	2.1
145.10120	26.0
147.04411	3.6
147.11650	14.6
149.13246	18.9
159.11670	17.3
161.13245	4.4
163.14833	3.7
173.13184	9.6
187.14789	4.8
193.04828	3.0
229.19554	15.6
247.20515	46.1
274.97369	22.9
292.98566	26.6
307.20200	2.3
321.24219	12.9
339.25327	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	339.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37397	2.2
51.35405	2.3
53.03928	3.9
53.12342	2.5
53.18249	2.3
55.01861	3.8
55.05505	25.3
56.96553	18.3
57.03423	17.5
57.07066	5.4
67.05492	95.7
68.96094	2.5
69.07051	21.0
79.05473	61.9
81.03374	5.0
81.06594	5.6
81.07035	100.0
83.04974	3.8
83.08610	5.3
84.54240	2.8
85.06529	4.0
88.74167	3.1
91.05450	25.9
93.07024	59.9
95.04958	7.2
95.08585	77.0
98.97559	86.1
105.07019	29.3
107.08567	45.8
109.06528	3.0
109.10149	48.4
111.08070	4.1
113.86317	2.9
116.98608	89.0
117.06992	7.1
119.08545	29.5
121.06498	5.8
121.10098	35.7
123.11667	11.5
129.06990	3.4
131.08551	21.5
133.10103	16.0
134.99649	49.4
135.11687	28.7
145.10095	23.4
147.04396	4.0
147.11667	12.7
149.13260	17.7
150.03197	2.9
153.00713	6.7
159.07964	4.1
159.11687	17.6
163.14799	5.0
173.13196	6.7
190.95180	3.6
208.96356	3.6
209.12814	3.0
229.19487	17.0
232.05190	3.4
232.96387	5.0
247.20522	39.6
258.31421	3.1
274.97403	86.7
289.17969	9.9
292.98459	77.2
321.20285	5.1
321.24313	12.5
339.25183	12.4
344.35199	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	339.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57602	0.5
55.01847	0.8
55.05510	8.6
57.03439	0.8
57.07072	6.6
59.04709	0.5
59.04995	2.9
61.02909	2.7
64.87368	0.6
67.05493	41.7
67.05853	1.5
69.03407	4.0
69.07046	4.9
71.04976	83.4
71.08619	0.7
79.05471	4.6
81.03400	1.3
81.07037	100.0
83.08601	4.1
85.02892	12.5
85.06530	25.9
85.37759	0.6
92.08983	6.5
95.04933	0.7
95.08582	12.8
97.02890	1.7
97.10150	1.5
97.51476	0.6
99.08068	4.8
101.45097	0.6
105.03381	2.7
109.02854	0.7
115.07557	0.8
116.07900	1.4
123.11684	21.6
127.03843	0.9
141.09058	1.4
141.12717	84.6
142.09456	1.3
147.04384	1.2
159.09105	1.6
159.13780	34.1
160.10550	1.1
177.05399	1.2
177.14812	19.2
205.09618	1.2
305.18820	0.6
339.15433	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	339.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37293	0.5
52.20391	0.6
55.05507	8.5
56.49058	0.6
57.03423	1.1
57.07078	6.5
59.04976	2.9
61.02907	1.3
67.05142	1.3
67.05491	38.7
69.03409	4.6
69.07040	3.6
71.04976	66.8
71.08607	1.3
79.05464	4.6
81.03394	1.0
81.07038	100.0
83.08599	1.4
85.02888	11.8
85.06522	14.7
87.04465	1.1
92.08676	1.4
92.09253	2.4
93.07015	0.7
95.08587	12.9
97.02851	2.9
97.10133	1.2
99.08078	4.8
109.02877	0.6
119.04922	2.7
121.03539	0.6
123.11691	23.5
127.03928	1.0
136.07544	0.9
141.09065	0.9
141.12724	66.8
145.02835	0.9
147.04393	3.2
159.09135	6.0
159.13779	35.0
169.02684	0.7
177.05476	1.6
177.14807	17.7
205.09709	3.0
339.15363	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	339.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.2
55.01869	43.9
55.05500	37.7
57.03432	36.2
57.07067	5.6
58.75000	3.4
67.05145	5.7
67.05491	95.4
69.07058	36.5
70.95843	4.0
79.05468	87.1
81.03391	6.8
81.07043	83.8
83.04968	36.0
83.08604	6.7
85.06525	4.7
91.05452	91.8
93.07027	58.9
95.04933	73.1
95.08601	48.8
97.02866	15.2
97.06492	4.9
98.26608	3.2
98.97558	29.6
99.88509	3.6
105.07011	64.6
107.04938	100.0
107.08582	26.4
108.05721	6.9
109.06496	48.3
109.10131	24.2
111.08075	3.9
112.05202	4.7
115.05422	4.3
116.98584	26.9
117.06995	36.7
119.08569	39.3
121.06455	27.9
121.10110	16.2
122.07237	17.2
123.04445	6.7
123.08053	15.2
124.63230	3.9
128.06160	4.7
129.06973	14.8
131.08548	46.2
133.06508	25.6
133.10092	21.8
134.99649	23.0
135.08025	20.1
135.11682	6.9
137.09605	4.9
141.06992	4.9
143.08522	6.9
145.06447	18.5
145.10110	27.4
147.07997	25.3
149.09612	7.1
151.11183	4.2
153.00723	4.4
159.11620	8.3
161.09596	17.8
163.11121	7.3
171.11671	7.0
173.13240	8.2
175.11169	4.4
187.14761	14.2
197.13292	6.1
205.15739	4.0
215.14212	5.3
233.15308	50.9
250.97165	4.5
265.17905	31.2
273.18430	15.0
274.97345	43.2
290.18646	5.7
292.98511	40.0
305.21048	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	339.107
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03931	2.4
55.01868	0.7
55.05490	1.1
56.10797	0.5
57.03429	1.2
57.07037	0.7
67.05486	1.5
69.03417	6.9
69.07040	1.5
71.04984	1.1
78.04706	0.7
79.05475	0.8
81.03399	19.2
81.07042	3.7
83.08610	0.9
85.02885	7.8
89.03893	15.4
91.05463	3.0
92.08762	1.1
92.09277	1.4
93.07017	2.8
95.04949	1.0
95.08551	1.0
97.02882	2.2
99.04426	2.7
103.05459	0.7
105.07001	0.9
106.04176	0.8
107.08594	1.6
109.02856	3.8
117.03356	50.1
118.03734	0.8
119.08596	0.7
127.03929	0.9
127.97234	0.7
131.08624	0.6
133.10136	0.8
134.03621	4.1
135.04382	4.6
137.05893	0.9
141.12672	0.9
145.02824	98.9
149.05959	18.2
163.03865	1.2
177.05431	100.0
184.74089	0.6
195.06436	1.1
321.09555	12.2
339.10715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	p-Coumaroyl quinic acid
Peak:m/z	Relative Intensity
55.05502	0.2
65.03928	0.9
67.05487	0.4
69.03417	0.3
69.07054	0.7
71.04966	0.2
76.06352	0.2
81.07041	1.2
83.04965	0.4
85.02888	0.4
85.06524	0.2
90.86765	0.2
91.05464	14.0
92.09179	0.4
93.07024	0.2
95.04964	0.4
95.08595	1.2
96.08914	0.3
97.06503	1.0
98.06826	0.3
98.97541	0.2
99.08022	0.2
105.03413	0.2
114.40587	0.2
115.07545	1.3
116.07906	0.3
119.04926	41.9
122.32339	0.2
123.08046	0.8
123.11692	0.2
124.08413	0.2
136.07581	0.3
141.09067	1.2
142.09489	0.3
145.02797	0.4
147.04395	100.0
148.04736	0.4
152.07016	0.3
159.10199	0.8
160.10484	0.2
163.03813	0.2
164.07072	0.4
177.05389	0.3
209.56238	0.2
303.13309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1071
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03934	0.2
54.30378	0.2
54.81865	0.2
55.23473	0.2
65.31531	0.2
65.54985	0.2
69.03411	0.8
69.03780	0.2
81.03398	0.9
81.07030	0.3
81.54978	0.2
85.02882	0.2
89.03886	5.8
91.05460	0.4
92.08855	0.9
97.02865	1.3
103.05456	0.3
106.04130	0.3
110.55740	0.2
117.03352	25.1
119.04878	0.3
121.06488	0.2
130.10396	0.2
134.03590	1.6
135.04414	1.5
145.02820	77.2
146.86559	0.2
147.04430	0.2
149.04756	0.3
149.05956	10.3
160.75610	0.2
163.03865	0.4
177.05423	100.0
178.05740	0.5
186.05450	0.3
195.06447	0.3
321.09619	0.4
339.10739	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
55.05510	1.0
56.81829	0.3
57.03427	1.8
61.02905	0.4
63.02368	0.8
67.05499	2.6
68.05823	0.5
69.03423	6.7
69.07027	0.5
71.04984	2.3
73.02877	0.7
78.04690	0.5
79.05473	0.8
81.03403	23.5
81.07037	7.4
82.07397	1.6
83.04981	0.6
83.08596	0.9
85.02883	7.2
85.06544	0.5
86.89061	0.4
89.03895	13.9
91.05464	2.7
92.08810	2.5
93.07032	1.0
93.64442	0.5
95.04945	2.0
95.08589	2.0
97.02863	2.3
99.04462	1.1
99.08089	0.6
103.05445	0.6
105.03392	0.7
105.07000	0.8
106.04163	0.6
109.02874	4.7
111.08062	0.6
117.03358	46.5
119.04890	1.0
120.08118	0.9
123.08068	0.7
123.11687	2.9
127.03893	2.0
127.19495	0.4
131.08463	0.4
134.03644	3.6
134.04477	0.4
135.04398	3.8
140.15239	0.5
141.12761	1.1
145.02832	100.0
147.04404	2.7
149.05963	17.6
152.91733	0.5
163.03886	2.0
177.05432	97.0
178.05809	0.6
183.42635	0.5
194.12444	0.7
195.06519	0.7
225.61745	0.5
267.15952	0.8
285.16855	0.8
321.09628	11.5
339.10440	1.9
339.14130	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01868	0.7
55.05490	1.1
56.10797	0.5
57.03429	1.2
57.07037	0.7
67.05486	1.5
69.03417	6.9
69.07040	1.5
71.04984	1.1
78.04706	0.7
79.05475	0.8
81.03399	19.2
81.07042	3.7
83.08610	0.9
85.02885	7.8
89.03893	15.4
91.05463	3.0
92.08762	1.1
92.09277	1.4
93.07017	2.8
95.04949	1.0
95.08551	1.0
97.02882	2.2
99.04426	2.7
103.05459	0.7
105.07001	0.9
106.04176	0.8
107.08594	1.6
109.02856	3.8
117.03356	50.1
118.03734	0.8
119.08596	0.7
127.03929	0.9
127.97234	0.7
131.08624	0.6
133.10136	0.8
134.03621	4.1
135.04382	4.6
137.05893	0.9
141.12672	0.9
145.02824	98.9
149.05959	18.2
163.03865	1.2
177.05431	100.0
184.74089	0.6
195.06436	1.1
321.09555	12.2
339.10715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03938	2.9
54.24565	0.5
54.92450	0.4
55.01866	0.5
55.05505	2.4
56.87599	0.4
56.96558	0.9
57.03433	2.5
62.63868	0.4
67.05489	2.6
69.03407	7.5
69.07051	3.3
71.04983	0.9
78.04689	0.7
79.05470	1.1
81.03403	17.8
81.05943	0.4
81.07030	5.7
83.04979	0.8
84.37197	0.5
85.02890	6.1
85.06532	0.7
87.06201	0.6
89.03893	14.7
91.05445	3.4
92.09030	2.4
93.07010	3.5
95.04941	1.9
95.08582	4.7
97.02847	2.9
97.06521	0.7
97.10153	2.3
98.97558	2.9
99.04427	1.9
100.12000	0.4
103.05425	0.7
105.03358	0.9
105.07018	3.4
106.04182	0.5
107.08569	2.4
109.02835	4.0
109.06496	1.2
109.10136	3.0
116.98592	2.3
117.03357	46.6
119.08545	2.4
121.10126	3.5
123.11703	2.8
124.05177	0.7
126.19965	0.5
127.03860	0.7
133.10086	0.9
134.03633	3.0
134.99597	0.9
135.04388	4.6
135.11691	0.8
137.09550	0.7
145.02824	100.0
145.10107	0.7
147.04419	0.9
149.05962	17.4
157.10118	0.5
159.11696	0.5
162.03053	0.5
163.03906	0.7
177.05429	95.7
178.05804	0.7
195.06483	2.0
197.01158	0.8
230.68196	0.6
247.07478	0.5
274.97403	1.8
290.16144	0.5
292.98541	2.4
303.23242	0.6
321.09622	15.1
321.23990	0.6
339.10699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1071
Annotation	p-Coumaroyl quinic acid
Peak:m/z	Relative Intensity
50.35257	0.2
55.05492	0.2
55.74751	0.2
64.15020	0.2
64.29790	0.2
65.03916	1.0
66.36261	0.2
67.05479	0.4
69.03417	0.2
81.26215	0.2
83.04955	1.4
83.47616	0.2
85.02890	0.8
91.05464	11.9
92.08715	0.5
95.08591	0.2
103.49300	0.2
111.04449	0.4
119.04919	37.1
147.04388	100.0
148.04738	0.5
165.05376	0.4
305.39111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.75691	0.3
55.30962	0.3
56.31066	0.3
60.32441	0.3
61.74927	0.3
64.36921	0.3
65.03921	1.4
66.20951	0.3
69.03394	0.4
72.55686	0.4
81.03424	0.4
83.04932	0.4
91.05460	16.2
92.09129	0.4
105.36097	0.3
113.58289	0.4
117.03336	1.8
119.04919	46.0
121.09271	0.4
121.10129	0.4
145.02837	7.2
147.04391	100.0
149.05927	0.4
177.05449	7.4
207.52928	0.4
212.81883	0.4
265.31213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1231
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
50.08492	0.2
55.05492	0.3
57.03428	0.4
61.02902	1.1
62.14676	0.2
67.05483	0.2
69.03418	2.0
69.07040	1.2
71.04979	0.3
73.02901	0.4
78.06657	0.2
79.05476	0.3
81.03411	0.4
81.07040	1.0
83.04968	0.3
85.02895	2.8
87.04475	0.3
90.81831	0.2
92.08818	0.4
93.07055	0.7
95.04939	0.2
95.08579	1.9
97.02869	1.1
97.06510	1.1
99.04407	0.4
99.08057	0.3
109.02868	0.4
113.05989	0.4
115.07542	2.1
120.08092	0.9
123.08035	1.4
123.27767	0.2
127.03924	0.4
130.06496	0.5
133.05219	2.2
141.00049	0.2
141.09071	1.7
158.06004	4.2
159.10150	1.0
161.04691	64.0
162.05046	0.2
176.07034	100.0
177.07323	0.2
191.74242	0.2
256.45740	0.2
323.38589	0.2
338.12238	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.74839	1.3
51.21544	1.1
51.29459	1.5
53.03941	2.6
53.70603	1.3
53.74843	1.4
55.05506	31.1
57.03436	31.3
57.07059	3.1
61.56420	1.3
67.05151	3.9
67.05495	97.4
69.07056	24.0
79.05474	51.5
81.07040	100.0
83.08604	2.3
91.05461	28.5
92.08792	4.1
93.07022	56.9
95.04958	4.0
95.08586	60.1
97.06490	2.6
97.10147	1.7
105.07000	22.5
105.22497	1.5
107.08589	24.6
109.10134	16.6
117.07011	4.0
119.08553	9.7
121.10126	17.9
123.11676	3.0
128.98476	1.6
131.08533	14.4
133.10132	6.5
135.11687	9.5
145.10135	2.9
147.11662	6.1
149.13225	3.6
159.11650	2.7
173.13216	1.9
185.07076	2.0
216.15689	1.8
243.21037	1.7
261.22058	3.1
287.38757	1.5
300.93265	1.7
332.66550	1.6
335.25748	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.2
54.81969	0.7
55.01851	2.4
55.05496	1.5
57.03430	7.6
59.04981	0.8
61.02897	1.7
67.05479	2.9
69.03412	35.5
69.07044	3.1
70.06585	0.6
71.04958	4.5
73.02895	3.3
79.05464	3.1
81.03396	45.1
81.07048	3.1
83.04987	0.9
84.08126	4.4
85.02886	38.7
87.04413	1.3
90.79080	0.8
91.05472	1.7
93.07034	8.5
95.01302	78.8
95.04922	4.6
95.08580	1.6
97.02872	31.0
97.06503	4.1
99.03822	1.0
99.04427	13.1
109.02863	29.4
109.06449	0.9
109.10093	1.2
110.07143	3.5
111.08067	12.6
113.02345	100.0
113.05955	1.4
121.06487	3.0
127.03883	25.6
128.22560	0.7
129.09123	1.5
135.04333	0.7
137.31355	0.8
139.07516	14.6
145.04942	1.5
146.05997	4.1
150.82549	0.8
156.10165	1.4
157.08559	15.8
162.05447	4.7
174.05466	51.4
174.11247	1.5
185.88287	0.7
206.09041	0.7
213.82469	0.7
230.76662	0.6
238.62169	0.6
239.05438	44.2
257.06482	20.6
276.08640	1.2
336.10629	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	336.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.6
53.03918	2.0
55.01861	1.7
55.05503	82.9
57.03419	1.7
57.07066	39.0
57.28895	1.6
58.06572	2.3
61.41938	1.6
61.69920	1.5
67.05145	3.2
67.05493	81.1
69.07053	100.0
71.04966	2.7
71.08618	15.5
72.08136	3.3
72.77958	1.7
79.05475	26.8
81.07035	92.3
83.04981	3.6
83.08604	64.5
84.08117	3.3
85.06544	2.6
85.10164	8.8
86.06056	7.3
86.09677	2.3
89.06013	15.5
91.05462	15.5
92.09006	13.7
93.07035	28.6
95.04946	3.4
95.08580	92.8
97.06515	11.7
97.10148	36.3
98.09698	3.1
100.07603	11.8
105.07011	19.2
107.08580	16.1
109.10146	41.2
111.08044	9.6
111.11709	8.0
114.09138	8.8
119.08576	14.6
121.10123	16.4
123.07996	2.0
123.11678	19.9
125.09577	3.2
126.09136	2.0
128.10696	2.3
133.10075	12.6
135.11661	10.7
137.09631	2.4
137.13245	7.1
142.12206	2.3
144.75276	1.9
147.11662	11.6
148.57803	1.9
149.13171	6.4
151.09637	3.7
151.14801	2.6
151.78075	1.8
152.86734	1.7
153.12761	1.6
158.95995	2.1
161.13293	3.5
163.14870	2.1
165.12796	1.9
170.15332	1.9
172.67734	1.7
174.87631	1.6
175.14783	1.8
183.94312	1.7
184.16919	2.2
189.16418	2.1
190.80586	1.9
221.22595	3.0
301.28928	18.5
319.29889	44.6
336.32513	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87497	0.8
55.05495	7.6
57.03431	9.4
59.11341	0.7
67.05493	24.8
69.07054	7.3
72.04501	2.0
79.05477	16.0
81.07037	19.9
83.04924	0.9
83.08579	1.6
84.99600	0.9
91.05467	7.5
92.08841	3.4
93.07016	16.2
95.04950	4.2
95.08591	16.1
98.97446	0.9
105.07021	4.4
107.08563	7.4
109.06500	1.1
109.10162	5.8
119.08579	3.7
121.10157	4.4
123.08012	0.9
131.08569	1.9
133.10143	2.1
135.11665	1.2
141.80014	0.9
145.10089	0.9
165.12766	4.9
166.13055	1.7
175.47044	0.9
177.05528	2.1
178.06242	2.2
185.07133	1.5
191.06943	0.9
233.11778	2.0
335.21884	100.0
335.25769	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	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32547	0.7
55.05510	8.7
57.03435	7.6
67.05492	27.2
69.07053	8.1
79.05469	14.2
81.07034	22.3
83.08602	1.4
85.88409	0.8
86.03930	0.8
91.05452	4.3
92.09013	1.0
93.07027	13.6
95.04955	1.1
95.08595	16.1
96.85041	0.9
100.06700	0.8
105.07007	4.7
107.08570	5.5
109.10132	4.8
116.98554	0.9
119.08543	4.8
121.10102	3.8
123.11649	0.9
133.10110	1.9
135.11617	1.2
149.02261	0.9
149.13139	1.1
224.76823	0.9
335.21841	100.0
335.25729	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	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82201	0.7
55.87279	0.8
59.93080	0.9
62.77343	0.8
67.05493	1.1
75.49748	0.7
81.07055	1.9
92.08925	3.4
92.78546	0.8
93.07020	1.2
95.08570	1.4
107.08562	1.4
118.96733	1.8
119.08575	0.9
132.24956	0.8
133.10143	1.3
185.06950	0.9
335.21875	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	335.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.1
53.03931	7.3
55.01858	2.5
55.05291	1.2
55.05505	16.9
57.03431	55.8
57.07062	6.2
59.04985	5.2
61.02910	7.1
66.93540	1.1
67.05492	30.5
69.03422	22.7
69.07050	19.0
71.04979	21.3
73.02896	2.9
73.06528	2.7
75.04458	2.7
79.05473	13.1
81.03403	21.0
81.07040	44.7
82.06583	2.4
83.04967	12.0
83.08620	10.0
85.02892	55.1
85.06528	38.5
87.04444	3.1
91.05431	2.3
92.08759	1.8
93.07029	10.4
95.04940	8.8
95.08588	17.7
97.02863	14.5
97.06502	8.3
97.10151	19.8
99.04438	3.3
100.21905	1.2
100.47935	1.3
101.05994	2.2
103.41400	1.3
105.03373	29.0
107.08597	2.7
109.02866	8.8
109.06509	5.3
109.10143	100.0
109.67941	1.4
111.08031	1.7
113.06006	5.8
113.09642	2.1
115.07536	6.0
119.08588	2.6
124.07576	1.9
125.09596	32.4
127.03904	7.6
127.11185	6.6
128.07039	2.7
129.09097	8.3
131.01939	2.7
136.07538	1.7
137.09590	19.8
143.10652	17.1
145.04987	5.1
145.10011	2.0
149.02264	1.5
155.01874	2.8
155.10641	66.5
155.11909	2.2
173.02922	6.2
173.11707	38.3
176.51285	1.7
221.26260	1.2
282.23813	1.5
317.11151	3.0
332.59363	1.8
349.11887	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
53.19444	0.4
55.01866	0.9
56.96571	0.4
57.03418	2.5
61.02925	3.1
65.03913	2.6
67.05492	27.9
69.03423	4.6
70.13004	0.4
71.15849	0.4
73.02912	0.8
81.03381	2.7
81.07033	0.7
85.02888	19.6
86.03217	3.8
87.04447	1.0
91.03930	0.5
91.05458	4.7
92.04949	0.8
92.05790	2.5
95.04401	0.7
95.04949	13.1
97.02866	5.8
98.03219	0.6
98.97543	2.8
99.04405	0.6
108.82602	0.5
109.02840	2.1
110.06019	2.2
110.06731	0.4
116.98553	2.0
119.04903	2.4
120.04382	2.0
120.05237	2.0
120.08186	0.4
127.03859	3.1
128.04257	0.6
137.04890	0.5
137.05952	23.6
138.05452	100.0
138.06325	11.3
145.04921	1.7
146.99623	0.5
155.06949	0.9
156.06511	38.8
163.05972	0.5
195.01752	0.4
196.97688	0.4
289.11673	0.6
335.11252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.1
53.03931	7.3
55.01858	2.5
55.05291	1.2
55.05505	16.9
57.03431	55.8
57.07062	6.2
59.04985	5.2
61.02910	7.1
66.93540	1.1
67.05492	30.5
69.03422	22.7
69.07050	19.0
71.04979	21.3
73.02896	2.9
73.06528	2.7
75.04458	2.7
79.05473	13.1
81.03403	21.0
81.07040	44.7
82.06583	2.4
83.04967	12.0
83.08620	10.0
85.02892	55.1
85.06528	38.5
87.04444	3.1
91.05431	2.3
92.08759	1.8
93.07029	10.4
95.04940	8.8
95.08588	17.7
97.02863	14.5
97.06502	8.3
97.10151	19.8
99.04438	3.3
100.21905	1.2
100.47935	1.3
101.05994	2.2
103.41400	1.3
105.03373	29.0
107.08597	2.7
109.02866	8.8
109.06509	5.3
109.10143	100.0
109.67941	1.4
111.08031	1.7
113.06006	5.8
113.09642	2.1
115.07536	6.0
119.08588	2.6
124.07576	1.9
125.09596	32.4
127.03904	7.6
127.11185	6.6
128.07039	2.7
129.09097	8.3
131.01939	2.7
136.07538	1.7
137.09590	19.8
143.10652	17.1
145.04987	5.1
145.10011	2.0
149.02264	1.5
155.01874	2.8
155.10641	66.5
155.11909	2.2
173.02922	6.2
173.11707	38.3
176.51285	1.7
221.26260	1.2
282.23813	1.5
317.11151	3.0
332.59363	1.8
349.11887	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51177	1.0
54.81896	1.3
55.01869	5.4
55.05493	5.2
55.56005	1.1
57.07062	7.0
58.09742	1.0
59.80938	1.2
60.51645	1.0
60.62188	1.0
60.80986	1.0
63.65796	1.3
63.89716	1.1
67.05487	12.9
67.05800	1.0
69.07058	9.6
71.08617	12.1
72.04498	76.9
79.05465	8.2
81.07040	18.0
85.06505	2.1
91.05460	100.0
93.07011	13.9
95.04955	21.3
95.08583	19.8
97.06528	3.0
98.97539	1.5
99.08082	2.9
105.03399	2.1
105.07030	10.1
107.08572	14.4
109.06503	29.1
109.10168	2.3
110.07999	1.4
114.09115	11.0
116.98627	1.3
119.08561	6.6
121.06461	4.7
121.10073	2.0
123.08061	1.4
123.11683	1.4
128.10696	1.8
131.08495	7.7
133.10089	7.6
135.08035	2.5
135.11674	1.4
142.12256	1.6
145.10091	2.7
147.11688	3.1
149.13229	2.5
165.12723	93.4
173.13242	8.8
175.11232	2.3
175.14885	1.7
182.15421	6.6
187.11212	1.4
191.14301	5.2
201.12648	2.2
211.97398	1.4
212.16489	2.8
220.16968	6.3
224.16011	1.4
236.19986	18.6
255.17033	1.8
271.20560	2.2
289.21600	3.0
316.26215	3.2
334.27356	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	335.0735
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
52.03438	2.4
59.74563	2.5
60.04326	2.8
91.06697	2.8
92.09000	5.7
98.05019	2.6
183.39661	3.0
217.78711	3.2
298.52344	3.3
335.07303	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	335.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96311	2.8
56.96545	30.0
57.03432	4.7
59.36300	3.0
61.02898	4.9
61.72890	3.2
62.84795	3.4
65.99866	3.3
67.46590	3.8
67.65098	2.8
69.03412	17.0
70.06587	8.2
70.30615	2.8
72.08131	4.0
73.02896	4.1
75.19424	2.8
81.03413	3.5
84.08123	20.9
84.96005	3.8
85.02880	21.3
86.09689	7.7
88.99152	7.2
92.08968	4.1
97.02852	13.9
97.07613	13.8
98.06048	7.8
98.97569	49.3
107.00165	4.4
108.08084	6.2
109.08471	4.4
110.97557	8.1
111.09279	3.4
112.99134	6.3
116.98583	36.6
119.01906	14.8
125.88424	3.3
127.03859	4.0
128.98555	31.0
129.10167	3.2
130.08650	5.0
130.10654	3.2
131.00137	16.4
131.01854	12.8
133.03421	13.2
133.04970	4.1
134.99586	4.0
136.06142	7.8
145.03447	5.8
146.99646	36.6
149.01207	8.3
152.06969	4.4
155.01819	4.6
155.03355	6.2
155.60974	3.1
157.03453	4.1
158.99701	4.3
161.01198	7.3
161.02890	4.2
161.09360	4.1
165.00696	16.6
166.43315	3.1
171.04968	4.0
173.02965	4.8
177.00743	5.7
185.06564	3.8
186.07594	5.2
190.98621	3.8
219.01691	34.2
221.05049	5.8
232.99709	4.2
237.02763	89.0
255.03836	4.6
259.06622	6.0
275.04300	8.4
293.05341	46.0
335.07159	100.0
335.13135	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	334.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01860	1.2
55.05496	3.4
56.96549	1.3
57.03423	2.5
57.07060	0.8
59.04979	2.5
61.02903	3.6
62.62469	0.7
64.93106	0.5
65.03874	0.6
67.05492	38.4
69.03410	5.1
69.07037	3.8
69.63461	0.5
70.61276	0.6
71.04977	1.2
77.59891	0.5
79.05463	4.4
81.03405	5.1
81.07039	10.0
83.04945	1.0
85.02887	20.1
86.09688	1.5
88.82996	0.6
91.05440	6.8
92.08749	0.8
92.09248	1.9
93.07021	19.8
95.04948	50.5
95.08583	75.9
97.02856	3.7
97.06477	1.3
99.04429	1.3
105.03358	3.3
105.06996	1.4
107.08574	10.5
109.02856	1.4
109.05817	1.2
109.06505	26.2
109.10142	72.2
111.08053	1.3
113.79850	0.7
117.06947	1.0
119.08572	16.1
127.03851	2.7
132.31334	0.7
135.11682	1.2
136.12006	0.8
137.05925	2.7
137.09593	100.0
143.18243	0.7
145.04929	0.9
147.04419	1.2
153.12672	0.9
155.10646	62.9
158.05981	1.0
167.06967	1.2
168.07420	0.9
192.44200	0.6
213.00554	0.9
238.60399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58754	0.5
52.42535	0.5
53.03945	1.0
55.01850	1.1
57.03419	3.3
61.02924	4.7
61.03165	0.6
69.03417	8.3
70.45097	0.6
71.44952	0.7
73.02899	0.9
79.05412	0.8
81.03395	3.9
85.02891	37.5
87.04467	0.6
91.03907	0.9
91.05468	15.9
92.08997	2.4
97.02868	9.9
99.04420	1.0
109.02853	3.4
119.04926	13.5
127.03880	5.9
137.05957	100.0
145.04939	5.6
149.05916	0.6
155.03400	0.6
155.07045	6.7
162.05510	3.0
168.57326	0.6
179.07007	1.1
180.08644	3.0
192.79196	0.6
203.06764	0.7
207.67662	0.6
210.59081	0.7
263.09061	1.0
298.73874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2054
Annotation	Japodagrone
Peak:m/z	Relative Intensity
52.55511	0.2
55.05508	3.6
57.07055	0.9
64.32841	0.2
65.03873	0.3
65.55289	0.2
67.01854	2.9
68.99794	0.3
69.07047	2.6
71.08609	0.4
79.05432	0.4
81.07024	0.2
83.08587	2.2
89.05972	0.3
89.87299	0.2
91.05424	0.9
92.09132	2.1
93.07009	1.0
97.10138	0.9
103.05456	3.5
111.04412	0.3
121.06474	6.6
131.04918	1.1
137.02325	2.4
138.92987	0.3
149.05977	1.9
151.26828	0.2
155.03349	0.5
159.04372	0.4
166.37129	0.3
177.05432	100.0
236.57550	0.2
251.26924	0.2
315.19656	0.5
333.20523	25.6
345.22348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95293	0.3
51.32927	0.4
55.05501	0.6
56.96545	2.0
59.94619	0.4
63.32558	0.4
67.05485	0.7
81.07046	0.8
92.08889	3.4
92.09400	0.6
93.07010	0.6
95.08591	0.9
107.00391	0.4
107.08599	0.7
109.10134	0.7
121.98041	0.4
202.46098	0.5
298.65906	0.6
309.67041	0.6
333.20306	100.0
341.50308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99617	0.8
52.26774	0.8
52.40193	1.0
54.86559	0.9
56.96534	1.1
57.07050	1.5
58.30587	0.7
65.14641	1.0
74.06057	0.9
77.95717	0.9
81.07040	1.5
88.01300	0.9
95.08565	1.9
105.07011	1.4
108.78822	0.9
159.39732	1.0
187.81281	0.9
193.05006	1.4
197.27615	1.1
333.16971	3.5
333.20291	100.0
333.31708	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	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60912	0.7
51.61133	0.8
53.06887	0.6
54.45901	0.7
55.05502	1.0
56.96527	0.9
67.05491	1.4
79.05451	1.3
80.44705	0.6
81.07008	1.5
90.24414	0.6
90.64138	0.6
91.05449	3.2
92.09045	1.8
93.07021	1.5
105.07008	1.7
105.58590	0.8
109.18571	0.8
119.08552	2.9
131.08521	1.0
134.99603	0.8
155.09381	0.9
187.49327	0.8
332.31775	0.9
333.20294	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	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95293	0.3
51.32927	0.4
55.05501	0.6
56.96545	2.0
59.94619	0.4
63.32558	0.4
67.05485	0.7
81.07046	0.8
92.08889	3.4
92.09400	0.6
93.07010	0.6
95.08591	0.9
107.00391	0.4
107.08599	0.7
109.10134	0.7
121.98041	0.4
202.46098	0.5
298.65906	0.6
309.67041	0.6
333.20306	100.0
341.50308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81912	1.1
56.96548	7.2
63.55924	1.1
64.02432	1.1
77.48708	1.3
88.80312	1.1
92.08707	2.9
92.09253	2.2
93.06999	1.2
94.66453	1.1
95.08550	1.2
209.37274	1.3
298.16077	2.3
309.66986	2.3
320.79904	1.3
333.20303	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	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82145	0.6
56.96547	1.4
57.80259	0.6
59.88967	0.6
81.07044	1.2
88.07638	1.2
92.09140	0.8
95.08578	0.9
107.08559	0.7
109.10133	0.8
160.53224	0.7
160.71222	0.6
183.39116	0.7
203.36801	0.7
208.81113	0.6
241.72455	0.6
243.12584	0.8
261.10806	0.8
261.14157	0.6
269.10684	0.6
287.11655	3.1
333.20291	100.0
335.28973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1905
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
50.48191	1.0
51.60528	1.0
53.03926	4.9
53.93378	0.9
54.81987	1.0
55.01855	4.6
55.05500	6.1
56.70787	1.1
57.03426	13.3
57.07069	16.5
59.04989	14.1
61.02912	16.1
67.05495	13.9
68.57608	1.1
69.03065	1.9
69.03416	37.5
69.07059	14.9
71.04980	11.1
73.02901	2.9
79.05453	4.9
80.65123	1.2
81.03391	17.9
81.07044	9.5
83.01322	1.6
83.04961	5.7
83.08594	5.3
85.02888	100.0
85.06528	12.1
87.04449	5.4
91.03941	6.1
91.05463	2.6
92.08826	5.8
93.07015	9.5
95.04966	2.9
95.08582	56.5
97.02866	37.1
97.06505	9.7
97.07049	1.1
98.97559	5.2
99.04427	6.7
99.08083	16.8
105.03374	15.5
107.08565	15.2
109.02863	11.1
109.06508	7.6
109.10139	24.2
110.22443	1.3
111.08037	9.3
111.11669	1.4
113.09628	33.5
115.03973	1.3
116.98653	1.2
119.08557	1.9
121.02859	2.0
127.03893	15.2
127.11164	24.9
131.08453	1.1
135.08037	1.5
135.11604	12.0
137.05949	4.8
137.13251	2.5
145.04970	11.3
153.12712	54.8
155.14311	8.4
167.07027	5.3
171.13771	31.0
173.44485	1.2
213.14804	2.0
270.06241	1.3
309.60263	1.2
333.18918	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	333.1902
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
53.00295	3.3
53.03931	3.4
55.01873	9.7
55.05500	32.8
55.93116	1.6
57.03424	25.5
57.07060	22.4
57.07247	1.4
59.04991	10.2
61.02913	11.0
65.03902	1.9
66.88402	1.7
67.05482	20.7
68.52444	1.9
69.03416	33.0
69.07052	44.1
71.01315	2.8
71.04975	53.1
71.05339	2.1
73.02883	4.6
73.06538	9.7
76.56496	1.8
79.05477	27.4
81.03400	9.6
81.07035	71.0
83.04970	3.7
83.08601	4.6
84.04452	1.9
85.02884	91.5
85.06529	51.0
87.04462	2.8
91.05457	23.3
92.09201	2.6
93.07018	60.7
95.04951	11.0
95.08584	32.4
97.02875	20.2
97.03397	2.0
97.06503	18.6
105.03379	2.4
105.06989	23.8
107.04906	2.0
107.08563	51.5
109.02864	4.5
109.06483	15.1
109.10131	16.1
110.09663	2.6
111.08054	3.9
115.03925	4.6
117.07016	8.7
119.08548	30.1
121.06532	2.4
121.10049	2.6
123.08050	7.8
127.03874	9.1
128.06210	3.3
129.06999	3.8
130.07730	3.0
131.08565	13.4
133.04967	4.6
133.06479	2.9
135.08037	2.6
135.11652	41.9
137.05983	3.1
137.13220	9.2
138.09154	4.4
143.08545	3.9
145.04947	2.2
145.10098	11.6
147.08035	10.7
147.11653	3.2
149.09598	2.2
153.12718	100.0
156.10161	2.4
159.08011	3.1
159.11635	3.6
161.13220	2.6
163.11183	2.3
165.12717	19.1
168.09279	2.5
171.13718	4.9
173.09618	4.1
174.11151	2.0
177.12688	4.7
184.84293	1.9
189.12656	4.6
191.10754	2.6
219.11874	2.3
219.13818	3.8
261.14731	2.8
297.16943	2.4
315.18024	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	333.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	3.8
53.03925	2.8
54.23388	1.5
55.01862	8.5
55.05504	20.1
57.03433	16.5
57.07055	9.8
59.04987	9.1
61.02913	11.1
62.16168	1.7
67.05498	10.9
69.03413	20.9
69.07056	26.3
71.01357	3.0
71.04605	3.0
71.04975	54.3
72.08143	2.3
73.02893	3.7
73.06542	10.1
75.61656	1.6
78.99926	2.0
79.05476	25.4
81.03393	9.0
81.07039	70.2
81.28372	1.8
83.04965	3.6
83.08612	7.5
83.51647	2.0
83.80669	1.8
85.02889	66.4
85.06508	6.7
91.05453	21.9
92.08902	2.2
93.07021	54.2
95.04958	7.6
95.08589	18.0
97.02863	17.6
97.06522	8.0
101.06023	2.1
103.03951	3.0
105.07034	25.5
107.04927	3.2
107.08577	56.3
109.02831	2.6
109.06480	10.1
109.10140	13.8
111.08086	3.2
117.06979	8.0
119.08546	24.1
121.06484	4.0
121.10139	3.1
123.08068	4.6
125.09628	3.0
127.03909	8.5
128.06148	2.5
131.08571	10.1
133.04974	7.4
133.06477	3.7
133.10112	3.8
135.04399	2.9
135.08003	4.8
135.11671	47.0
136.04688	3.2
137.05984	3.3
137.13242	8.1
143.08546	2.1
145.05016	2.1
145.10117	8.1
147.08020	3.5
147.11623	2.7
149.09694	2.3
153.09088	4.0
153.12721	100.0
159.08009	3.0
165.12758	15.6
167.06993	2.8
171.08070	2.3
173.09604	9.4
173.13147	2.3
177.12799	6.3
261.14771	2.9
279.15906	2.5
297.16861	4.6
306.62332	2.3
315.17938	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	333.1904
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
50.21193	1.1
53.00300	3.5
55.01857	1.8
55.05500	15.6
57.03420	3.6
57.07075	2.5
59.04984	3.7
61.02900	3.4
63.40151	1.6
67.05490	9.1
69.03420	11.8
69.07046	17.2
71.04974	47.0
73.02896	1.7
73.06538	14.0
79.05462	20.5
81.03417	1.8
81.07036	64.1
83.01315	1.9
83.04969	1.9
83.08633	2.9
85.02884	36.6
85.06524	3.2
91.05451	15.1
92.08978	6.4
93.07023	49.2
93.07568	2.9
95.04963	12.1
95.08588	15.9
96.04453	1.4
97.02859	9.1
97.06509	8.9
105.03391	6.2
105.07020	9.9
107.04946	2.0
107.08574	44.0
107.09282	2.0
109.02873	2.9
109.06528	6.9
109.10139	13.2
111.04440	2.0
111.08073	3.4
113.09608	3.5
115.03923	1.9
117.06991	3.6
119.08550	12.1
123.04335	1.8
125.09628	6.2
127.03848	2.1
129.07007	1.9
131.08575	3.3
135.08069	5.7
135.11652	44.8
137.06023	10.4
145.10069	2.8
147.08049	1.8
152.10649	1.4
153.09090	13.9
153.12715	100.0
159.08080	1.5
165.12741	6.7
167.07048	6.5
171.10118	7.6
171.13693	2.0
173.09637	2.4
177.12727	1.9
185.08885	1.5
189.12631	1.7
229.86389	1.6
261.14685	1.9
287.09933	1.9
315.09698	2.1
315.18103	2.7
330.95505	1.9
332.83804	1.5
333.10797	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81736	0.5
55.95127	0.5
57.15084	0.5
62.02120	0.5
62.68051	0.5
63.12569	0.6
64.32581	0.7
67.05484	0.9
69.03401	0.9
69.07051	1.2
78.17643	0.6
78.99969	0.6
79.05465	1.4
81.07023	0.6
83.04929	0.8
85.02874	3.7
85.06497	0.6
86.03187	0.7
86.09708	0.7
92.08839	1.5
93.07009	1.1
95.04966	0.9
95.08656	0.7
97.02857	0.9
97.06465	0.9
105.07041	0.7
107.04934	13.4
107.08591	2.6
108.05274	7.3
109.10086	2.3
111.08046	0.6
117.06975	1.5
118.07320	0.8
135.04385	15.5
135.08029	5.3
136.04726	9.9
136.08362	2.7
137.05975	3.7
153.05424	4.1
153.09036	1.3
154.05792	1.4
162.05493	2.7
167.06987	2.5
171.09834	4.2
172.63457	0.6
199.98604	0.6
333.15115	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	333.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47034	1.1
55.05490	2.8
56.96553	54.5
57.07052	2.4
58.94869	1.2
67.05486	1.6
69.07044	2.8
71.95233	8.1
81.07033	2.7
83.04933	1.4
83.86073	1.2
83.91945	1.4
84.95997	1.5
92.09103	6.9
95.08586	3.0
97.96761	2.9
105.06991	2.1
107.08519	1.9
110.97545	7.8
115.97796	1.5
116.98611	2.5
128.98586	22.9
133.98811	1.6
135.17908	1.3
137.02721	2.1
146.99626	34.0
155.03792	1.7
158.19456	1.5
161.01192	5.7
165.00655	6.3
174.98859	1.2
179.02242	1.5
189.04327	5.5
203.05841	2.2
221.06900	1.3
225.07878	1.7
227.09544	1.9
263.06793	1.4
263.09570	7.5
265.11084	1.6
303.12592	3.1
315.16217	43.8
331.15820	5.8
332.31296	1.6
333.17224	100.0
351.18350	19.6
356.18903	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	333.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60107	0.6
53.77193	0.5
54.81405	0.5
59.47718	0.5
67.05480	0.7
69.07062	1.4
79.05476	1.1
81.03381	0.7
85.02888	3.6
85.06514	0.8
86.03205	0.8
86.09674	0.7
92.08841	0.8
93.07028	1.2
95.76420	0.6
97.02837	0.9
105.03367	0.8
107.04944	11.6
107.08596	1.3
108.05293	8.1
108.75852	0.6
109.10134	0.9
111.04433	0.6
124.05210	0.6
135.04401	13.7
135.08028	3.7
136.04726	11.8
136.08374	1.0
137.05939	2.8
153.05444	3.0
153.09186	0.9
154.05795	2.8
162.05492	0.8
167.07074	2.4
168.40274	0.6
171.09979	3.6
246.07596	0.6
285.90182	0.8
333.15131	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	333.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.5
55.93279	1.0
55.93516	16.6
56.94279	3.9
58.13467	0.7
60.38017	0.8
61.37102	0.7
62.54848	0.6
67.05492	6.9
69.07053	1.1
70.95840	9.6
71.52155	0.7
71.92970	4.5
72.93761	22.2
73.94535	1.4
79.05477	7.2
81.03415	1.0
81.07021	3.8
82.95835	1.2
84.20905	0.8
88.96865	4.3
89.94003	1.1
90.94800	18.3
91.05457	12.2
92.08891	4.4
93.07011	5.5
95.08586	1.3
105.07013	6.6
107.08570	3.1
108.95847	7.6
113.97637	1.8
116.96309	1.2
117.06987	1.4
119.08519	1.8
125.96098	1.0
126.98399	3.6
127.99152	1.3
128.96318	3.4
129.07001	1.1
129.97098	1.2
130.97882	1.2
131.08534	0.9
131.98645	5.2
131.99580	0.8
132.95779	1.4
133.96552	0.9
134.97369	2.8
134.98894	1.5
136.95285	0.9
138.98360	4.0
140.99980	1.0
142.97873	1.2
144.95793	1.4
144.99454	7.9
146.97377	2.8
146.98874	1.3
148.98935	3.6
149.00481	1.5
150.96858	4.0
150.98387	1.5
151.01990	2.7
151.97646	4.1
152.99883	0.9
154.97829	1.9
155.98668	0.9
156.99461	1.1
158.97357	0.9
159.01038	1.0
160.98981	1.4
162.96895	4.0
163.02003	1.0
164.99930	12.5
165.03595	1.4
165.97125	6.3
166.97864	4.6
168.13560	0.8
168.99478	1.2
172.98944	1.7
175.01968	1.5
178.97855	4.9
179.01485	1.2
179.98679	1.2
180.99437	1.6
183.98178	6.0
184.98944	2.7
186.01222	1.7
187.00471	1.8
189.03569	1.3
190.99924	1.1
192.99423	5.2
193.03093	1.0
195.01027	1.2
196.98918	1.2
199.00458	1.6
200.02838	1.4
201.03656	2.9
201.99197	1.3
206.23717	0.9
207.00981	1.2
211.00525	1.4
213.01875	1.1
213.03581	4.0
214.04372	1.4
215.05171	1.8
219.00905	1.0
223.00327	0.8
223.04192	1.0
225.03603	1.7
226.04462	1.3
227.05229	6.9
228.06117	1.1
229.06755	3.0
239.05298	1.4
241.05225	4.4
243.06702	1.6
253.06833	1.1
255.06699	1.8
266.29871	0.8
275.07111	1.3
278.09366	0.9
279.08224	3.9
281.09857	9.3
283.11316	3.9
295.09650	1.1
327.10144	1.1
329.11880	10.4
331.13431	13.8
333.15024	100.0
333.27719	1.3
349.14728	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38080	0.5
53.03929	2.5
53.29419	0.5
55.01863	2.6
57.03432	7.5
61.02908	11.9
69.03414	23.2
69.94038	0.6
71.04966	3.1
73.02896	4.1
79.05473	11.1
81.03400	9.2
83.01311	1.0
85.02889	100.0
87.04449	3.6
91.03926	7.3
91.43890	0.6
92.08817	0.9
95.04982	0.9
97.02869	27.2
97.03493	1.1
99.04412	5.2
106.06552	2.7
107.04940	14.6
109.02868	8.1
127.03876	16.7
134.06006	1.4
135.04398	35.8
145.04936	26.4
145.06085	1.0
163.05959	7.7
294.90298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
54.56620	0.2
55.01856	0.3
55.52287	0.2
57.03416	1.0
58.88044	0.2
58.88352	0.2
61.02910	1.7
67.05502	0.2
69.03414	3.0
70.06573	0.3
71.04966	0.5
72.08116	0.3
73.02888	0.3
73.03958	0.2
79.05470	3.2
81.03403	1.9
81.07039	2.5
81.41856	0.2
82.07375	0.3
83.04964	0.4
84.04008	0.2
84.04478	0.4
84.08135	0.3
85.02885	10.8
86.09686	1.5
86.82480	0.2
91.03908	0.3
91.05450	0.4
92.08760	0.3
92.09210	0.4
93.07035	0.9
95.04946	3.9
97.02861	3.3
99.04433	0.4
100.44312	0.2
105.03362	2.7
107.04935	100.0
109.02851	0.5
114.08039	0.2
118.15058	0.2
124.07577	0.2
127.03892	1.1
129.10226	0.3
135.04390	14.1
135.08026	12.4
145.04955	1.1
152.10674	1.5
153.05443	24.9
157.07642	0.2
158.06044	0.4
169.12093	0.2
170.11755	1.2
175.08681	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01857	0.4
56.96551	0.3
57.03425	1.8
58.19385	0.2
61.02915	1.5
65.03923	1.9
67.05486	0.3
69.03411	3.4
69.90714	0.2
70.06586	0.3
71.04970	0.9
73.02900	0.9
79.05473	0.5
81.03405	1.4
81.07030	1.1
83.04962	0.3
85.02888	8.8
85.06521	0.3
86.06019	0.2
86.09705	1.2
87.04443	0.9
91.05469	1.1
92.08638	0.5
92.09236	0.9
93.03387	0.5
93.07005	0.4
95.04932	1.6
95.08580	0.4
97.02876	2.3
98.97552	0.3
99.04431	0.6
105.00315	0.2
105.03368	3.7
105.07004	0.9
107.04948	1.1
107.08584	1.2
109.02896	0.4
109.06501	0.9
109.10165	0.4
111.04409	0.3
111.08040	0.3
115.27510	0.2
117.06992	1.8
121.02840	100.0
121.10063	0.3
123.08110	0.3
123.11720	0.3
126.99404	0.2
127.03889	1.0
131.08519	0.2
131.09564	0.2
135.08018	5.7
137.05914	1.3
138.06311	0.4
145.04927	0.5
149.09554	0.4
151.07512	0.5
151.11179	0.4
153.05441	57.4
161.05965	0.5
163.07552	0.2
165.03174	0.3
169.12186	2.2
170.12553	1.0
173.12811	0.4
288.13150	0.4
314.19412	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
52.85012	0.7
53.00290	2.0
54.81643	1.3
55.05507	14.9
55.36967	0.6
57.03428	9.8
57.07067	100.0
57.47123	0.7
67.05492	24.2
69.07062	12.0
70.62642	0.7
71.08614	58.6
73.81149	0.8
75.04463	2.8
79.05460	1.9
81.07039	31.5
83.08597	16.4
85.10162	29.4
89.05978	0.9
91.82989	0.8
92.08935	1.8
93.07041	1.9
95.08586	44.3
97.10155	8.4
101.66847	0.8
102.02240	1.1
106.10487	0.8
107.08551	1.1
109.10136	19.8
111.11728	1.2
113.95847	0.9
116.60194	0.9
119.08592	1.1
123.11670	6.0
137.13289	1.7
159.35760	1.0
198.41339	0.8
199.70203	0.8
217.71605	0.9
239.23598	14.7
257.24661	1.7
302.41010	0.9
313.27298	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	332.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
53.15737	0.3
55.01857	0.7
57.03422	2.9
57.54329	0.3
59.05000	0.3
61.02901	0.7
67.05488	0.5
69.03412	4.9
70.06591	0.4
71.01338	0.4
72.08136	0.7
73.02901	0.5
74.06101	0.4
75.04475	0.4
76.56584	0.4
79.05470	0.4
81.03394	1.3
81.07059	0.6
83.04949	0.8
83.13906	0.3
84.04477	2.8
85.02892	9.3
85.06501	0.4
86.09692	0.6
87.04443	1.5
90.76859	0.3
91.05458	2.3
92.08725	2.0
92.09343	1.1
93.07014	2.6
95.04940	7.2
97.02868	17.2
99.04437	0.4
101.06016	0.7
105.03374	100.0
107.04938	1.8
107.08559	1.9
109.02865	0.8
111.04416	3.6
115.03915	0.5
115.05441	0.7
117.07000	7.9
123.04403	1.6
125.02308	0.7
126.09106	0.4
127.03907	3.4
129.05444	0.8
130.06511	2.7
132.04411	0.6
134.05946	0.5
135.08034	18.2
139.03885	3.1
146.06004	2.1
147.06538	0.7
153.06564	1.3
153.09137	0.8
153.37715	0.3
157.04938	0.8
157.07616	2.0
158.06021	2.2
170.11775	0.6
175.06000	4.2
175.08607	1.5
180.61578	0.4
181.06081	2.0
201.12236	0.4
217.02351	0.3
279.08655	1.3
297.09641	13.6
314.11310	0.5
332.12442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15549	1.3
53.03928	2.8
54.86514	1.4
55.05508	21.2
57.07066	25.6
58.06562	1.8
58.07375	3.1
67.05495	21.7
69.07049	17.0
70.06263	1.5
70.06578	31.2
71.04661	1.6
71.04984	22.2
71.08592	9.1
79.05480	27.2
81.07037	65.3
83.04958	2.6
83.08614	3.8
85.06519	4.3
88.07127	2.0
88.07611	39.2
89.07948	4.1
91.05460	30.8
92.08850	14.3
93.07021	91.8
95.04919	9.1
95.08032	2.3
95.08590	62.3
97.06515	1.9
97.10098	2.0
99.08056	2.4
102.09149	4.1
105.07014	82.2
106.08658	16.3
107.08576	55.0
109.06485	9.6
109.10130	24.0
111.08038	11.1
113.09605	9.6
117.06979	11.8
119.07715	3.0
119.08557	88.4
121.10118	56.3
123.08027	1.7
123.11687	4.0
129.06927	2.5
131.08554	30.8
133.10123	22.5
135.11659	11.6
137.09576	3.8
143.08534	11.7
145.10109	45.8
145.31363	2.0
147.11676	32.0
149.13240	7.0
156.09413	1.9
157.10136	14.4
158.10840	1.9
159.11664	34.3
161.13200	11.8
163.14780	29.8
165.12585	1.8
167.90367	2.1
169.10049	2.4
171.11609	4.0
173.13185	21.1
175.14774	2.2
177.88832	1.8
185.13197	6.4
187.14763	9.5
189.16330	2.5
197.13170	2.8
199.14783	3.9
210.55237	2.1
211.14738	2.1
213.16365	3.6
215.17897	3.1
229.19481	2.4
255.20950	11.3
273.21921	2.4
295.24277	2.0
312.32486	4.0
313.25156	2.4
313.32840	8.5
330.33585	84.6
331.33896	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	331.175
Annotation	Jasminoside A
Peak:m/z	Relative Intensity
50.86377	0.3
54.81065	0.3
55.05498	0.6
57.03415	0.3
57.07059	0.3
60.06219	0.3
60.40180	0.3
65.03908	0.4
67.05492	6.7
69.03409	0.7
69.43282	0.3
70.76003	0.3
72.76984	0.3
79.05460	1.6
81.03397	0.7
81.07038	6.5
84.31522	0.4
85.02877	1.3
91.05471	0.6
93.07007	1.4
95.04964	3.3
95.08569	0.8
101.20901	0.3
105.03366	3.1
105.07014	2.6
106.03710	0.8
107.03986	0.6
107.08572	9.5
109.06502	4.2
109.10138	100.0
118.87416	0.4
120.08044	0.4
121.28205	0.3
123.08023	0.5
123.11664	5.5
133.10104	4.9
137.05959	0.4
151.11151	32.7
169.12199	9.3
221.39169	0.4
240.22745	0.3
331.17322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1874
Annotation	Carnosol
Peak:m/z	Relative Intensity
50.98980	1.1
55.05494	5.2
67.05489	3.3
69.07056	2.0
71.08582	2.5
81.07042	3.1
91.05445	1.4
92.09093	4.3
93.07018	1.8
95.08587	2.7
105.07032	1.9
125.09634	2.0
169.91377	1.3
205.34131	1.5
222.03879	1.3
233.77823	1.4
278.21957	1.5
331.18729	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	331.1384
Annotation	(1'S,2'R)-1'-(4-Hydroxyphenyl)propane-1',2'-diol 2'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.86031	0.3
53.03920	0.4
55.01855	0.6
57.03425	2.3
59.04955	0.3
61.02912	3.7
67.01876	0.4
67.05473	0.5
69.03066	0.5
69.03417	9.4
71.04955	1.6
73.02882	1.7
81.03385	2.7
83.04943	0.6
85.02888	22.0
86.09672	0.4
86.49494	0.3
87.04433	1.3
91.03895	0.5
91.05436	0.7
92.08771	0.4
92.64571	0.3
93.06999	0.5
95.04929	0.5
95.08553	0.4
97.02866	5.6
97.06512	0.5
99.04406	0.6
99.27305	0.3
105.03359	0.4
106.06510	0.6
107.08575	0.5
109.02840	2.7
109.06470	0.4
111.04433	0.6
114.51595	0.3
121.02882	0.6
123.07999	0.6
125.05963	53.1
127.03902	3.2
133.06454	0.7
133.10095	0.4
134.05994	6.6
135.04425	0.5
137.05963	1.4
138.62547	0.3
145.04971	0.7
147.04361	1.9
148.04700	1.1
149.06050	0.4
151.07512	16.0
151.11133	0.5
159.51004	0.3
167.07079	0.4
169.08560	100.0
179.06955	0.3
227.95665	0.3
234.39063	0.4
331.13773	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	1.0
53.47490	1.0
53.48722	0.8
55.01869	1.0
56.75803	0.9
79.05481	2.2
81.07041	3.8
83.05014	1.0
91.05465	45.7
92.09192	4.6
93.07039	1.3
94.04166	5.7
95.04945	9.2
99.52294	1.2
103.05442	6.6
105.07013	5.9
107.04934	7.8
107.08612	1.6
109.06490	5.5
109.10147	5.0
115.05450	2.1
119.04923	25.2
120.05639	1.4
121.06496	7.6
122.03610	11.2
123.04401	1.0
123.08066	1.2
125.05877	1.1
128.06186	7.0
129.06982	23.0
131.04924	8.2
131.08568	1.6
133.06503	1.9
135.04402	2.0
135.08060	9.4
136.05186	5.8
137.05960	100.0
141.06963	1.2
145.06487	6.2
146.03621	1.6
146.91055	1.0
147.04305	1.4
147.08015	1.5
149.05939	9.7
150.06772	1.3
151.03903	2.1
151.07527	77.5
151.11099	1.7
152.06210	7.6
153.06964	2.4
157.06468	12.4
158.07265	1.6
159.04550	1.1
161.05945	14.3
161.09599	1.8
163.07513	18.4
165.06949	19.8
165.09097	4.4
166.07747	5.4
167.08525	30.1
169.06398	2.1
174.06725	7.8
175.07451	4.9
177.06892	1.6
177.09074	1.3
178.07761	10.9
179.08463	1.8
181.06424	6.8
181.10078	1.5
182.07201	6.7
184.08762	1.8
187.07489	1.1
189.09065	24.1
192.09331	4.0
193.06465	13.8
193.10071	13.8
194.07286	4.9
195.08012	41.1
196.08971	1.5
197.05899	11.3
197.09492	1.4
199.07506	1.3
202.07771	2.4
203.08577	2.3
205.06490	1.9
206.07245	2.3
207.08112	2.2
207.10162	4.4
209.05957	2.2
209.09590	4.6
210.06717	13.1
210.10388	1.2
211.07501	5.4
212.08279	5.2
213.09102	1.3
219.07985	1.6
220.08838	1.2
221.05974	12.8
221.09595	15.1
222.06821	1.2
223.07495	16.1
224.08287	7.0
225.09079	16.2
226.06410	1.1
227.07091	3.0
227.10643	31.9
237.05371	1.4
237.09036	2.1
238.06218	8.5
238.09941	1.4
239.07021	1.6
239.10533	1.6
240.07739	3.7
241.08633	2.1
249.09108	5.0
252.07764	5.1
253.08534	19.1
253.12187	17.0
254.09134	1.3
255.06348	2.4
255.10136	27.8
256.10760	1.6
267.10098	6.4
269.08102	5.8
269.11609	1.4
270.08899	2.2
272.10352	5.6
281.11612	5.4
284.10471	1.9
285.08282	1.6
285.11172	17.5
287.12720	41.0
313.14191	12.2
331.11765	1.8
331.15381	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	330.3363
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
55.14149	0.3
57.06815	0.5
57.07069	10.6
58.06584	0.6
60.04488	0.3
70.06201	0.7
70.06578	18.9
71.08608	3.8
84.54080	0.4
85.10168	1.6
88.07612	22.0
92.09141	2.9
93.93305	0.4
98.22913	0.4
102.09158	5.0
106.08655	10.8
123.65987	0.3
133.70325	0.5
140.71437	0.4
156.33623	0.4
201.81056	0.4
247.48709	0.4
286.30954	0.5
299.74329	0.4
312.32544	9.4
330.33606	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	331.1385
Annotation	(1'S,2'R)-1'-(4-Hydroxyphenyl)propane-1',2'-diol 2'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.94750	0.3
53.03928	1.7
55.01852	0.5
55.05493	0.6
57.03429	3.4
59.04974	0.4
61.02914	2.9
62.91117	0.3
67.05473	0.4
69.03416	9.9
69.07047	0.7
70.06576	0.5
71.04962	1.9
73.02890	1.9
76.42926	0.4
79.05458	0.7
81.03406	4.2
81.07024	0.8
83.05001	1.2
84.08131	0.8
85.02891	27.5
87.04435	1.4
91.03931	0.8
91.05461	1.7
92.09003	2.9
93.07011	2.2
95.04931	0.8
97.02866	7.3
97.06493	1.4
99.04387	1.3
105.07018	5.7
106.06536	0.4
106.07339	1.8
107.08564	0.5
109.02876	3.0
109.06561	1.4
109.10137	0.6
111.04440	0.4
111.08067	0.5
113.63287	0.3
119.04926	0.6
121.06431	0.4
123.08028	1.4
123.11699	0.5
124.05167	0.4
125.05970	58.6
127.03887	3.3
133.06471	10.5
133.10088	1.5
134.05946	2.7
134.06813	7.7
135.04379	0.7
137.05956	1.4
143.58612	0.4
145.05011	0.7
146.82632	0.4
147.04393	2.0
148.04735	1.6
151.07523	17.7
151.11223	1.6
152.07857	1.8
163.03838	0.4
167.03333	0.5
167.04562	0.5
169.08571	100.0
331.13727	8.5
331.17340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	2.2
53.03943	2.2
54.81813	1.5
55.01862	10.4
55.05505	100.0
56.05029	2.0
56.96545	1.9
57.03413	4.2
57.07062	7.4
59.04968	1.6
67.05492	73.7
69.03413	11.2
69.07053	34.4
71.04969	4.1
71.08614	44.5
79.05474	38.0
81.03406	7.3
81.07037	57.1
83.04967	8.4
83.08603	72.3
84.68779	1.6
85.06536	3.7
87.04436	3.2
91.05458	26.4
92.08784	2.8
92.09264	2.5
93.07030	39.4
95.04933	3.9
95.08581	29.2
97.06484	2.6
97.09516	3.3
97.10149	99.3
99.08071	25.0
105.07002	17.8
107.08588	42.3
109.06505	3.3
109.10134	21.2
111.08051	7.7
117.07004	6.9
119.08562	15.3
121.10127	7.8
123.08021	1.7
123.11706	2.4
125.08740	3.6
125.09607	72.7
131.08591	2.1
133.10155	12.3
135.08008	3.9
135.11623	11.9
137.09532	2.2
140.14337	3.4
143.08527	1.8
147.11653	8.2
149.13237	6.5
151.11168	14.1
153.09038	3.0
159.11690	3.4
161.13220	12.4
163.11194	2.5
165.12735	2.2
171.11722	1.8
173.11673	6.9
173.13200	3.2
175.14908	2.3
177.12697	1.9
179.14246	3.2
185.13196	3.0
189.11197	71.7
191.99127	1.9
241.19415	6.8
259.20468	10.0
277.21567	69.4
295.22708	20.1
330.26495	2.4
330.30054	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	330.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.4
53.03926	1.8
55.01862	7.4
55.05504	42.3
55.46216	0.9
55.78936	0.8
56.96577	1.0
57.03424	16.6
57.07068	11.5
58.06582	0.9
59.04984	2.0
65.03899	1.0
67.05491	100.0
69.03402	4.2
69.06676	1.4
69.07053	39.2
70.06559	1.0
71.04975	7.1
71.08611	9.2
72.08139	6.5
72.64676	0.7
79.05473	52.5
81.03407	7.9
81.07037	76.6
83.04961	21.1
83.08600	19.7
85.02889	1.5
85.06512	6.0
87.04445	5.3
88.07594	1.5
90.39441	0.8
91.05459	33.1
91.48047	0.8
92.09050	1.8
93.07021	59.7
95.04937	14.4
95.08000	1.6
95.08585	34.7
97.06526	8.9
97.10143	6.4
99.08075	6.2
101.06007	3.6
105.07012	18.2
107.04922	0.8
107.08572	29.6
109.06499	5.3
109.09380	1.7
109.10139	48.2
111.08060	7.2
117.07003	6.5
119.08556	17.4
121.10128	18.2
123.08001	3.2
123.11693	5.8
125.09600	4.4
129.06963	4.2
131.08531	8.1
132.25073	0.8
133.10101	17.6
135.08064	1.2
135.11676	11.2
136.15303	0.8
137.09601	4.2
139.11162	12.5
140.14320	0.9
143.08557	1.6
145.10107	1.8
147.08017	1.1
147.11673	7.3
149.13237	16.6
151.11185	3.6
153.12767	1.6
155.10632	5.3
156.17447	5.1
157.10127	1.9
159.11673	9.8
161.13211	4.8
163.11116	1.8
163.14792	1.4
165.12759	3.1
171.11653	3.3
173.11693	34.4
173.13179	1.3
175.11182	1.5
175.14883	1.5
177.12689	4.4
179.14253	1.9
185.13260	1.6
193.12190	3.3
195.13770	22.0
211.13205	2.0
213.14737	3.7
259.20419	1.8
268.29892	6.9
277.21591	21.9
291.44980	0.9
292.33392	0.9
295.22638	12.8
299.66556	0.8
330.29926	4.3
330.33539	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.6
53.03921	1.9
55.01870	12.1
55.05506	60.1
57.03429	18.8
57.07068	9.0
63.29636	1.0
65.03944	1.2
67.05493	78.7
69.03411	9.5
69.07056	44.6
70.50521	1.0
71.04977	9.4
71.08614	12.4
79.05477	56.0
81.03391	6.0
81.07038	100.0
83.04967	28.5
83.08601	22.4
85.02911	1.2
85.06520	7.7
90.25536	1.0
91.05463	40.1
92.09279	2.3
93.07027	79.0
95.04948	16.0
95.08587	56.7
97.06511	22.0
97.10159	8.2
99.08051	6.5
100.11207	2.1
105.07008	23.4
107.04944	1.8
107.08572	32.3
109.06505	6.7
109.10148	16.7
111.08066	7.8
117.07022	9.3
119.08571	17.1
121.10118	18.7
123.08037	2.1
123.11665	4.6
125.09618	5.1
129.06960	5.2
131.08554	14.9
133.10100	18.0
135.11670	22.9
137.09631	1.5
137.13316	1.5
139.11172	24.6
143.08582	2.0
145.10081	1.9
147.11646	7.7
149.13249	17.5
151.11169	4.6
153.12671	1.4
156.22514	1.2
157.10086	1.4
159.11664	10.1
161.13231	7.2
163.11153	2.3
163.14824	1.7
165.12715	2.4
171.11662	1.6
173.13229	1.6
175.11177	1.2
175.14755	2.3
177.12721	9.9
179.14307	1.5
185.13281	1.2
185.65857	1.1
189.11224	1.6
193.12183	2.4
195.13759	27.8
212.00574	1.2
213.14809	1.6
221.15414	1.2
241.19501	1.7
259.20590	2.1
277.21542	28.7
294.16968	1.4
294.73712	1.2
295.22632	23.3
330.17496	6.9
330.29852	2.4
332.32654	1.1
354.78500	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	10.5
55.05504	53.2
57.03429	19.7
57.07056	8.9
59.04984	1.9
64.66199	1.6
65.03919	2.3
66.71996	1.8
67.05492	100.0
67.72602	1.5
69.03397	3.5
69.07053	39.2
69.37728	1.5
71.04963	9.1
71.08582	3.1
71.78036	1.5
73.69328	1.7
79.05470	43.8
81.03392	11.8
81.07037	77.5
83.04961	23.5
83.08593	21.3
85.06538	3.2
91.05465	29.8
92.08917	8.4
93.07020	51.5
95.04945	11.2
95.08580	46.9
97.06495	8.3
97.10126	10.7
105.07012	22.3
107.08595	21.8
109.06537	3.3
109.09465	3.1
109.10143	44.3
111.08043	6.9
117.07018	3.2
119.08568	19.8
121.10104	13.4
123.08019	4.2
123.11681	8.5
125.09612	8.1
129.06883	2.1
131.08559	3.0
133.10097	9.7
135.11674	7.4
137.09596	4.1
139.11169	11.5
145.10089	2.0
147.11696	7.4
149.13243	3.1
155.10677	7.0
157.10074	1.9
161.13208	8.8
165.12737	2.0
173.11716	29.3
175.11166	1.7
189.11234	2.5
193.12173	4.2
211.13237	3.6
241.19434	2.4
259.20526	2.8
277.21518	34.0
295.22586	22.7
330.33688	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	330.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57161	0.3
51.56722	0.3
55.01863	1.6
57.03429	1.6
59.94745	0.3
61.02905	0.4
69.03400	2.4
69.07052	1.5
70.06559	0.9
74.06059	0.6
78.41590	0.4
79.05463	3.0
81.03381	0.5
85.02892	7.7
86.09670	0.5
87.04422	0.5
88.98890	0.3
91.05469	1.8
95.04918	0.6
97.02861	4.0
100.11220	1.6
101.02494	0.3
101.46545	0.4
103.05422	0.8
105.03363	0.4
105.07011	31.8
107.04922	1.9
109.06499	0.9
115.05418	0.8
119.04902	2.8
121.02811	0.8
121.06433	0.6
127.03882	0.9
133.06464	100.0
135.04382	0.5
138.03683	0.4
138.05348	0.5
140.07062	1.8
147.04367	6.2
150.09195	0.7
151.07527	16.7
156.52625	0.4
163.03949	0.9
166.07050	0.4
168.06499	1.6
168.10185	0.9
187.14418	0.5
187.46689	0.4
209.16321	0.4
227.17432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48026	0.8
55.01868	6.2
55.05508	77.6
57.03436	1.7
59.04995	1.5
59.78469	1.0
61.38073	1.1
67.05500	26.8
69.03427	7.0
69.07062	16.9
69.41828	1.0
71.08624	17.6
79.05473	21.9
81.03417	1.8
81.07044	26.6
83.04977	8.4
83.08611	55.2
85.06528	1.7
91.05457	7.2
92.09174	1.9
93.07018	12.4
95.04961	2.0
95.08602	9.4
95.98783	1.1
96.10463	1.1
97.10155	100.0
97.90321	1.1
99.08068	11.6
105.07027	6.4
107.08588	34.8
109.10160	7.1
111.08093	1.4
119.08571	5.3
121.10123	1.9
125.09613	71.6
133.10126	4.4
135.08043	8.7
135.11687	2.5
143.10661	2.0
145.10144	2.0
151.11179	10.0
153.09120	5.5
161.13283	4.9
163.11197	2.8
171.10158	5.6
179.14345	2.7
189.11197	75.9
197.96851	1.4
211.17091	1.3
241.19504	1.6
259.20462	5.2
276.77301	1.1
277.21597	46.5
295.22668	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	329.2683
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
53.00290	2.4
54.81712	1.6
55.01857	3.3
55.05504	84.9
56.96542	3.7
57.03430	38.8
57.07067	42.9
59.02291	1.7
64.58020	1.6
67.05492	29.0
69.07052	100.0
71.04963	2.7
71.08619	14.6
72.24390	1.8
79.05470	24.0
79.05875	2.5
80.05756	2.0
81.07038	48.2
82.07353	2.3
83.04957	3.1
83.08604	55.1
85.06532	2.5
85.10142	3.2
88.99381	1.6
91.05450	10.6
92.05786	1.8
92.08901	2.9
93.07019	32.6
95.04951	3.0
95.08582	41.8
97.06499	12.2
97.10139	30.9
98.98450	3.2
100.52802	1.7
103.49615	2.0
105.07060	6.9
106.07348	3.3
107.08568	17.5
109.06499	2.5
109.10134	12.9
110.06856	2.0
111.08062	8.3
111.11709	4.4
119.08524	3.5
121.10127	21.5
123.11668	8.5
125.09563	4.1
131.08546	2.6
133.10104	4.4
135.11717	13.5
139.11134	2.4
145.10117	2.6
149.13261	10.4
163.14783	2.4
169.09920	2.0
192.11070	2.0
206.36446	2.1
219.21007	7.3
237.22069	10.3
255.23068	2.3
275.92505	2.1
276.20370	8.2
294.21432	7.3
311.25583	8.6
311.31210	2.6
312.18793	3.5
329.26804	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05360	0.3
53.03934	2.4
55.01857	0.9
56.02801	0.3
57.03419	1.7
58.91299	0.3
60.33699	0.4
60.39064	0.3
62.75971	0.3
65.94701	0.4
69.03417	9.0
71.04978	1.7
72.74614	0.4
73.02892	1.7
78.03002	0.8
78.03437	17.7
79.13002	0.4
80.05008	3.1
81.03397	18.9
85.02893	11.4
87.04473	0.7
92.08720	0.6
92.09206	0.7
96.04475	4.8
97.02884	5.1
99.04428	2.4
105.07040	0.6
106.02901	75.3
109.02866	8.8
110.68863	0.4
124.03933	100.0
127.03885	4.0
132.04437	7.2
133.04782	3.7
133.06465	1.7
133.52419	0.4
150.05418	0.5
166.04961	0.8
211.24678	0.4
232.06058	2.1
250.07053	20.5
268.08121	18.2
330.11603	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	330.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47181	0.3
53.97965	0.3
54.81871	0.4
55.01864	0.6
57.03416	2.0
59.38934	0.3
61.02922	0.8
68.88142	0.3
69.03407	2.4
69.07050	0.7
70.06562	0.5
79.05471	1.9
81.03410	0.8
85.02892	10.2
86.09667	0.6
91.05437	2.5
92.08874	2.6
95.04918	0.5
97.02866	2.3
103.05419	1.4
105.03347	0.5
105.07014	30.4
107.04929	1.5
109.02850	0.5
109.06475	0.8
115.05440	0.5
116.07024	0.7
119.04909	7.7
121.06476	0.5
124.03925	0.4
125.05989	2.2
127.03873	0.9
133.06465	100.0
145.04921	0.4
147.04391	18.8
151.07512	21.4
163.03828	0.5
168.06555	0.5
168.10129	0.8
169.08612	4.4
180.08659	1.4
197.40968	0.3
208.94322	0.4
330.07932	0.4
330.12000	0.5
330.15598	0.8
331.14178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50481	1.0
53.00291	1.0
53.03924	1.2
53.22118	0.8
55.01865	1.5
55.05236	1.3
55.05503	36.4
56.76798	0.9
57.03425	1.8
57.07069	9.3
61.62688	1.0
63.57322	0.9
65.03926	1.4
67.05489	92.0
69.07050	38.5
70.06577	12.8
71.04964	9.1
71.08614	1.3
72.90839	1.0
79.05473	23.3
81.07034	100.0
83.04964	5.2
83.08598	18.2
85.06519	7.6
85.81020	0.9
88.07603	16.9
91.05449	16.1
92.08876	6.4
93.07017	32.9
95.04987	1.1
95.08580	77.5
97.06517	6.9
97.10141	6.9
99.08105	1.2
102.09157	5.4
105.07007	15.1
106.08647	8.8
107.08559	20.1
109.06499	1.4
109.10138	43.2
111.08070	2.4
117.06983	4.7
119.08534	13.9
121.10105	20.3
123.08052	2.4
123.11694	18.3
131.08543	9.7
133.10086	9.1
135.11697	11.3
137.09619	2.0
137.13205	5.9
139.11140	1.2
145.10101	7.5
147.11674	7.3
149.09625	1.4
149.13255	6.4
151.11197	1.1
159.11682	4.1
161.13277	6.4
163.11165	1.1
163.14796	2.1
165.12694	1.6
173.11707	6.7
173.13124	2.6
175.14751	1.4
177.16295	1.3
179.14317	1.7
187.14706	1.5
243.21033	5.2
261.21970	10.8
279.23120	30.1
283.97849	1.2
293.24594	1.7
294.21362	1.5
297.24026	2.1
310.30618	2.2
311.31345	5.1
314.07669	2.5
328.28088	1.5
328.31995	40.2
328.35626	1.8
329.09961	1.3
329.32333	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01866	1.3
55.05495	4.0
57.03423	4.1
61.02898	3.1
65.03928	0.9
67.05486	7.2
69.03133	0.8
69.03423	12.4
69.07066	6.0
71.01306	0.7
71.04975	1.9
73.02914	1.0
79.05479	5.9
81.03410	5.2
81.07035	10.4
83.08602	2.9
83.21545	0.7
85.02892	38.9
85.06485	0.8
89.64404	0.7
91.05460	11.5
93.07030	23.3
95.04946	3.9
95.08590	16.7
97.02873	6.1
97.06512	3.2
99.04423	1.7
103.03906	0.9
105.03387	1.1
105.07008	12.0
107.04909	0.8
107.08575	100.0
109.02865	4.4
109.06501	3.2
109.09402	0.9
109.10143	24.7
111.08083	6.7
117.06999	1.0
119.08546	8.7
121.10126	37.8
123.04372	0.9
123.08028	1.5
123.11713	1.4
123.96448	0.7
125.09621	0.8
127.03912	5.0
129.07018	0.9
131.08563	3.0
133.10132	3.1
135.11658	2.6
137.05992	0.8
137.09592	1.1
143.08589	1.4
145.04973	1.8
145.10081	3.2
147.11693	1.5
149.13235	32.7
151.14671	1.0
155.08522	0.9
157.10095	1.1
159.11678	3.9
161.13231	5.4
165.38750	0.8
167.14287	15.3
169.10204	1.0
171.11649	1.2
173.13249	0.9
177.12816	1.0
177.32553	0.7
179.14313	5.8
190.81316	0.9
193.66631	0.8
207.13728	1.0
211.23236	0.7
215.14177	1.0
229.15964	0.8
257.15427	1.0
275.16418	1.6
293.17407	4.1
311.18442	4.0
329.19638	1.2
330.01694	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.1
57.03411	0.2
59.31952	0.1
60.29788	0.1
61.02909	0.3
61.07973	0.1
69.03413	0.2
81.03379	0.3
85.02889	2.0
91.03931	0.1
92.08711	0.2
92.09216	0.3
97.02850	0.5
104.04970	1.9
109.02847	0.1
119.04927	0.1
127.03908	0.1
132.04422	100.0
133.04799	0.2
147.04413	0.5
150.05478	9.3
153.65289	0.1
155.05220	0.1
232.23720	0.1
252.26067	0.1
329.11987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
53.16975	0.7
55.01865	1.5
55.05501	1.6
57.03411	4.9
57.83876	0.6
61.02925	1.9
67.05491	7.8
69.03426	13.1
69.07047	7.4
71.04985	1.3
73.02899	1.8
79.05470	6.3
81.03412	6.5
81.07040	11.9
83.04962	1.0
83.08601	3.4
85.02890	42.4
87.04455	0.8
91.05465	7.6
92.08810	2.6
92.09302	0.9
93.07019	26.1
95.04936	2.0
95.08574	14.4
97.02869	10.0
97.06506	1.4
99.04432	3.7
101.02420	0.8
103.03912	0.9
105.03361	1.5
105.07012	13.4
107.04942	1.0
107.08575	100.0
109.02858	4.1
109.06479	4.7
109.10143	25.9
111.04438	1.1
111.08070	6.0
115.55141	0.8
117.06982	1.1
119.06099	1.1
119.08539	9.2
119.09158	0.6
121.06483	0.9
121.10116	39.2
121.10986	1.7
123.04362	1.2
123.08057	1.7
123.11699	1.3
127.03898	5.5
131.08522	4.3
133.06467	0.8
133.10112	5.0
135.08081	1.3
135.11670	1.9
137.09515	0.7
137.13182	0.9
143.08568	1.4
145.04951	1.9
145.10088	3.6
147.07957	1.0
147.11713	4.2
149.13237	31.7
151.14735	1.2
157.10147	1.6
159.08109	1.5
159.11656	4.1
161.13165	5.7
167.14282	15.3
169.10143	0.8
171.11647	1.2
173.13188	1.5
177.12700	1.2
179.14322	5.1
185.13184	1.0
193.61458	0.8
205.43735	0.9
207.13881	1.0
257.15237	1.2
271.02518	0.8
275.16354	5.4
293.17404	3.7
311.18472	4.7
329.19586	4.5
342.97183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76897	0.2
51.02367	0.2
53.03721	0.3
53.03941	4.7
55.01859	0.5
57.03418	1.6
61.02906	0.9
69.03413	9.0
71.04969	0.6
73.02901	0.3
77.03902	0.5
79.05473	8.8
81.02930	0.4
81.03398	13.6
82.58123	0.2
85.02889	13.3
91.05426	0.2
93.07011	0.3
95.04941	7.8
97.02862	4.8
99.04417	1.4
105.03370	100.0
105.04523	2.7
109.02853	6.3
109.28382	0.2
123.04395	12.1
125.05977	0.4
127.03876	3.7
142.12093	0.2
145.04929	1.1
167.10637	0.3
177.92155	0.2
191.73708	0.2
231.06485	0.4
249.07509	10.5
267.08582	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	329.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
54.87679	0.3
55.01866	0.8
55.05507	0.5
60.62854	0.3
61.02916	0.9
65.03927	0.8
67.05508	0.8
69.03416	2.8
71.01340	1.7
74.22890	0.4
79.05492	1.8
81.03410	0.9
81.07015	0.8
83.04956	0.4
84.30566	0.4
85.02898	5.1
86.03213	0.7
88.26987	0.4
91.05460	85.8
92.09075	1.5
93.07021	2.3
95.04948	3.7
95.08581	0.8
97.02867	1.7
97.06475	0.5
99.00792	36.2
105.03376	2.6
105.06998	0.7
107.04192	0.5
107.04940	14.4
107.08580	0.9
117.01821	5.0
117.03317	0.5
119.04919	100.0
120.05708	9.9
121.02871	2.4
121.06474	0.7
121.10101	4.0
127.03909	0.7
140.67938	0.4
142.39873	0.4
143.82797	0.4
144.05728	0.9
145.06474	2.5
148.02118	7.4
149.02489	8.1
149.09569	0.6
152.06210	4.2
157.06418	0.7
165.06949	5.2
166.03166	4.7
166.07794	1.7
167.03569	4.9
167.08507	9.7
167.10663	0.8
169.06395	0.6
175.00340	0.4
176.06169	0.9
177.06964	6.1
191.08499	0.6
194.07236	0.5
195.07977	7.0
197.05954	0.8
198.06784	0.6
203.65356	0.5
211.07481	1.6
212.08299	6.7
213.09067	60.6
219.07988	0.6
237.09035	2.1
247.07440	2.0
265.08597	0.6
293.07959	0.5
311.09015	0.6
329.15442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.4
55.01863	32.8
55.05507	54.7
57.03418	8.6
57.07053	7.1
59.04980	2.1
59.93091	2.0
62.12663	1.5
65.03896	1.7
67.05492	99.2
69.03411	3.6
69.07053	38.2
70.06569	17.9
71.04970	12.4
79.05479	37.7
81.03383	12.1
81.07037	90.8
83.04973	17.6
83.08614	15.4
85.06523	11.8
88.07611	25.7
91.05463	54.6
92.08868	4.1
93.07022	37.1
95.04932	22.6
95.08572	46.9
97.02850	1.9
97.06516	4.2
97.10142	7.2
99.04451	2.7
99.08042	2.1
102.09159	7.0
105.06361	3.1
105.07018	61.6
106.08640	8.3
107.04913	7.3
107.08578	59.7
109.06519	13.1
109.10143	95.2
111.04456	2.0
111.08021	3.3
113.05957	2.9
117.07006	9.8
118.96705	2.5
119.08557	17.3
121.06450	6.2
121.10164	11.7
123.04394	1.8
123.08018	11.3
123.11677	16.1
125.09647	6.0
127.07517	2.8
131.08533	12.2
133.10104	83.3
135.08025	3.8
135.11678	4.0
137.09622	13.3
138.21004	1.6
141.98393	3.0
145.10089	11.4
147.11659	4.0
149.09579	6.8
149.13286	2.5
151.11165	37.5
159.11644	4.2
161.13226	2.0
163.11134	10.9
165.09061	2.2
169.12198	9.9
183.11655	2.4
191.14386	1.9
196.19582	1.7
215.12726	2.8
247.20598	6.6
257.18839	3.8
275.20032	41.0
293.21072	43.8
310.30884	8.6
328.32031	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	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.3
54.09411	1.1
55.01849	7.3
55.05505	31.3
56.17593	1.1
57.03420	11.2
57.07066	2.4
67.05145	2.6
67.05492	71.8
69.03410	2.4
69.06723	1.9
69.07059	45.7
71.04962	2.6
71.43878	1.4
79.05473	53.8
81.03385	7.9
81.07037	100.0
83.04961	13.7
83.08617	13.0
83.79077	1.4
85.06511	3.5
91.05461	49.9
92.09007	11.4
93.07019	48.7
95.04952	16.0
95.08579	39.6
97.06519	14.1
97.10150	3.0
99.08065	2.3
105.07017	44.5
107.04930	3.9
107.08591	29.4
109.06477	9.5
109.10135	14.3
117.06973	13.8
119.08570	32.8
121.06454	5.7
121.10114	13.9
123.08053	9.3
123.11652	6.9
129.06990	3.0
131.08528	13.5
133.10101	20.9
135.08040	3.6
135.11687	20.7
137.09570	1.8
145.10120	9.0
147.11697	12.2
149.09558	3.2
149.13220	3.9
151.11247	1.9
154.62210	1.7
156.88661	1.6
159.11668	10.8
163.11159	7.1
173.13170	1.9
177.12704	1.9
181.12195	10.6
195.13785	10.7
199.13387	2.3
208.67081	1.7
223.54639	1.5
275.20023	29.6
293.20969	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	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
54.28344	1.6
55.01860	8.7
55.05504	94.2
57.00227	1.6
57.03430	2.4
66.14420	1.9
67.05497	40.8
69.03417	9.2
69.07060	34.8
79.05479	54.1
81.07034	39.0
83.04971	8.3
83.08607	51.2
91.05466	22.6
92.08715	4.1
93.07024	24.8
95.04968	2.9
95.08584	24.5
97.10147	85.1
98.98466	10.1
104.15964	2.2
105.07016	34.2
107.08575	100.0
109.10149	9.5
111.08035	2.6
117.07015	4.1
119.08573	14.2
121.10133	4.0
125.09605	52.8
131.08559	9.4
133.10094	18.3
135.08009	2.9
140.93089	2.1
145.10152	8.7
147.11681	9.3
159.11615	2.3
162.33127	2.3
171.10202	4.0
177.54515	2.2
189.11192	43.4
257.19003	3.9
275.20053	51.6
293.21033	2.7
311.49146	2.4
315.32980	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.4
55.05503	29.1
57.03424	7.8
57.07065	2.4
60.99623	1.6
61.83917	1.5
65.03933	1.8
66.92604	1.5
67.05491	82.9
68.43935	1.5
69.03404	9.7
69.07050	45.7
71.01337	2.2
71.04953	2.3
76.56467	1.9
79.05462	62.4
81.03419	6.4
81.07035	100.0
83.04964	12.7
83.08593	14.5
85.06553	2.0
91.05453	47.0
91.05996	1.9
92.08954	2.2
93.07018	64.0
95.04925	17.2
95.08575	35.1
97.06493	10.5
105.07011	41.6
107.04927	6.2
107.08578	36.1
109.06508	10.4
109.10144	16.9
111.08099	3.3
117.06980	12.7
119.08566	29.8
121.10088	16.8
123.08055	3.8
123.11690	3.0
129.06987	6.4
131.08543	12.9
133.10091	25.3
135.08035	3.3
135.11652	28.2
137.09615	3.5
143.08485	2.4
145.10121	9.7
147.11690	9.6
149.09648	6.5
149.13213	11.5
151.11177	2.3
152.58247	1.7
159.11688	8.5
163.11169	3.8
165.12747	1.8
173.13199	2.9
177.12700	3.1
181.12202	22.9
195.13800	10.7
199.13330	2.6
213.14696	2.0
217.09521	1.9
235.16850	2.5
257.18890	2.3
260.34897	1.7
275.19937	27.2
293.21152	6.5
308.26245	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87381	1.1
53.03939	2.5
55.01868	8.4
55.05504	22.4
57.03415	5.5
57.07063	4.6
57.51785	1.1
59.50885	1.0
64.63779	1.0
67.05489	42.1
69.07053	24.9
71.04978	2.2
76.75465	1.2
78.58340	1.1
79.05469	28.6
81.03394	5.0
81.07036	100.0
83.04955	7.9
83.08593	11.2
85.06525	1.6
91.05459	26.9
92.08972	4.7
93.07024	28.8
95.04939	10.8
95.08579	25.4
97.06510	7.4
97.10147	1.7
99.08091	2.5
100.20754	1.2
105.07011	26.6
107.04291	1.2
107.04929	9.5
107.08578	16.1
109.06485	22.5
109.10145	11.4
111.08039	2.8
117.06999	7.3
119.08558	19.6
119.17647	1.2
121.06468	2.8
121.10098	10.8
123.08052	8.4
123.11667	4.6
125.09605	1.5
129.06966	2.9
131.08542	10.8
132.20456	1.2
133.06479	1.9
133.10092	17.6
135.07979	2.9
135.11644	7.0
137.09579	4.4
142.07770	1.4
143.08505	2.4
145.10127	11.2
147.11667	16.7
149.09622	8.5
149.13237	4.8
151.11047	1.9
157.10046	2.6
159.11684	10.4
161.13211	1.7
163.11160	7.7
163.14801	1.8
165.12784	2.1
173.13132	2.6
175.11203	2.5
177.12714	1.9
195.13763	1.4
203.72110	1.3
229.19337	1.4
239.17828	2.5
247.20525	5.0
257.18964	6.4
273.45926	1.3
275.20004	52.2
276.32022	1.1
293.21088	33.2
310.31003	2.5
328.35620	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01864	2.8
55.05510	54.1
57.03431	5.4
59.04993	4.3
62.96419	2.2
64.33278	2.0
65.03916	2.6
67.05495	100.0
69.03407	4.2
69.07059	32.3
71.04966	9.7
79.05476	85.4
81.03409	17.9
81.07040	68.0
81.07480	4.2
83.04961	11.8
83.08609	18.3
85.06537	3.8
91.05458	60.7
92.08589	4.7
92.09209	15.6
93.07021	64.8
95.04944	34.2
95.08582	46.0
96.65303	2.1
97.06516	4.9
97.10151	17.6
101.18550	2.8
103.02145	2.1
105.07009	34.5
107.08580	38.2
109.06511	5.1
109.10149	50.9
111.08107	3.1
117.06999	12.4
119.08562	34.2
121.06490	2.6
121.10112	27.6
125.09579	4.7
131.08525	15.9
133.10086	19.9
135.11725	2.5
137.09613	12.4
145.10115	11.2
147.11707	11.8
149.09695	3.8
155.10645	2.9
157.10135	2.9
159.11693	4.4
161.13202	2.7
163.11206	2.5
173.11722	16.6
173.13156	4.4
189.11214	4.3
211.13350	4.0
223.13159	2.5
235.16890	2.7
249.88823	2.3
275.20016	21.2
281.21954	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	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.7
54.50403	1.0
55.01859	7.5
55.05503	55.0
57.03424	8.8
57.03664	1.0
59.04990	4.5
59.28153	0.9
61.49368	1.1
65.03908	1.8
67.05490	100.0
69.03415	8.4
69.06675	1.3
69.07050	35.6
70.70088	1.2
71.04976	8.9
72.36006	1.0
73.06509	1.2
76.20092	1.0
79.05473	98.5
80.06225	1.4
81.03397	11.7
81.07035	61.7
83.04953	9.2
83.08607	23.1
85.06518	4.9
91.04878	2.0
91.05458	64.3
92.08888	3.4
93.07018	87.3
95.04942	32.8
95.08582	45.8
97.06529	8.1
97.10137	17.2
103.05433	1.5
104.15238	1.1
105.04495	1.2
105.07001	40.8
107.04952	4.6
107.08571	31.9
109.06511	7.9
109.09386	1.7
109.10133	41.3
111.08064	8.4
117.06992	11.6
118.31517	1.2
119.08556	34.0
121.06492	2.4
121.10116	28.8
123.08018	2.7
123.11723	1.8
125.09608	10.8
131.08537	13.1
133.10101	17.5
135.08051	2.2
135.11665	5.4
137.09566	9.8
139.11169	1.8
141.07001	1.5
143.08557	1.5
145.10100	9.0
147.11646	10.8
149.09616	2.5
149.13263	1.7
155.08533	2.1
155.10681	5.0
157.10068	1.8
159.11800	3.9
161.09619	1.2
161.13199	5.0
163.11215	1.7
169.10132	1.4
173.11708	24.6
173.13190	4.1
189.11221	7.5
193.12212	4.3
193.52209	1.2
209.15326	1.7
211.13306	1.8
223.13185	1.4
239.17957	2.0
257.19028	1.5
265.47934	1.3
275.19965	22.9
292.22745	1.3
293.21008	7.0
350.06509	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.9
55.05510	85.5
56.88401	2.5
60.62376	3.4
62.97047	2.2
67.05492	17.9
67.09549	2.3
69.03403	6.0
69.07058	26.1
74.76485	2.6
76.27227	2.4
76.55985	2.8
79.05482	39.1
81.07038	28.7
83.04967	5.2
83.08607	54.8
91.05460	16.2
92.09021	3.1
93.07018	14.0
95.08594	12.2
97.10155	100.0
105.06997	17.6
107.08576	77.5
109.10135	2.9
111.08090	3.4
113.57897	2.9
119.08540	4.6
125.09601	70.9
132.71521	2.8
133.10127	4.5
145.10143	5.5
147.11620	3.3
149.09586	3.0
153.09212	3.1
189.11168	58.0
207.91118	3.4
270.40912	2.9
275.19928	46.2
293.21140	5.3
313.08493	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	328.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01249	0.6
55.01875	0.9
55.05508	0.7
57.03429	1.0
57.07065	15.3
59.04991	17.0
60.42719	0.5
61.02905	2.7
61.49004	0.5
67.05492	14.9
69.03416	3.6
69.07053	0.9
71.04980	5.2
73.02900	1.0
78.90351	0.6
81.03387	1.3
83.04990	0.8
85.02898	16.9
85.06528	42.0
87.04472	2.6
87.87383	0.6
87.94598	0.6
92.08791	0.9
95.04946	22.3
97.02866	5.0
103.07559	100.0
109.02869	1.1
113.05202	1.3
113.05987	37.8
120.08121	1.1
127.03904	1.3
131.07021	39.7
131.37386	0.7
138.05536	0.7
145.04916	0.8
149.08073	52.4
166.04951	7.5
181.33278	0.8
269.54257	0.7
343.63831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05519	0.3
57.03421	1.8
57.07064	6.4
59.04990	0.6
61.02910	0.7
64.29508	0.2
67.05138	0.6
67.05489	11.1
69.03407	1.6
69.23827	0.3
70.06565	0.3
71.04984	3.8
73.02895	0.6
73.06549	0.3
75.04485	0.4
77.38564	0.3
81.03423	0.4
83.04978	0.5
85.02891	5.4
85.06527	100.0
87.04439	0.4
88.54967	0.3
91.03946	0.3
91.83170	0.3
92.08964	0.4
95.04960	4.1
97.02856	1.4
99.04435	0.5
101.05983	0.7
103.07565	8.1
109.02874	0.3
113.05983	13.4
113.06749	0.6
114.37327	0.3
121.36178	0.3
127.03914	0.6
131.07013	17.4
137.07063	0.3
137.89491	0.3
138.05505	0.3
144.93553	0.3
148.07547	1.9
149.08070	16.9
166.04959	2.9
166.07298	0.5
166.08582	3.1
328.13898	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
55.01855	7.7
57.03429	10.3
59.04979	1.0
61.02917	15.3
64.33961	0.9
65.00022	0.8
67.05491	1.4
69.03419	17.3
71.04964	8.3
72.08129	20.3
73.02890	10.8
81.03380	6.1
83.04990	1.1
84.08163	0.9
85.02886	100.0
85.06518	4.3
86.06053	1.7
87.04447	5.6
89.18370	0.8
91.03918	1.5
92.09105	0.9
95.04943	1.7
97.02863	18.7
99.04433	3.8
101.02357	13.3
103.03922	28.4
103.07550	4.8
104.07068	3.7
109.02844	5.0
113.02340	1.1
113.05968	6.4
118.08620	8.3
127.03891	9.3
130.08676	0.8
131.06984	6.1
145.04951	12.1
149.04425	81.6
149.08051	1.1
163.05914	1.3
175.66360	1.1
257.94412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73437	0.1
58.47489	0.1
67.05512	0.1
69.03407	0.1
82.06579	0.2
82.61440	0.1
85.02917	0.4
90.15437	0.1
91.35122	0.1
92.08936	0.2
94.06516	0.2
95.08599	0.2
103.07558	0.6
109.05249	0.1
110.06023	0.6
113.05982	0.2
113.41740	0.1
120.04437	0.5
122.05981	0.3
138.05481	13.2
141.04176	0.2
149.08006	0.1
153.86559	0.1
166.04974	100.0
167.05313	0.2
336.93561	0.1
354.13614	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	328.1024
Annotation	Blepharin
Peak:m/z	Relative Intensity
50.13277	0.1
52.98289	0.1
61.35489	0.1
62.60138	0.1
68.44940	0.1
85.02914	0.2
91.93818	0.1
92.08865	0.2
94.06557	0.2
109.05235	0.3
110.06004	0.9
120.04435	0.3
122.05978	0.3
138.05470	11.3
141.04190	0.5
151.38409	0.1
166.04959	100.0
215.36891	0.1
222.07607	0.1
333.22528	0.1
354.92151	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	328.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01862	6.5
55.05494	1.4
57.03429	8.9
58.24470	0.7
59.04983	1.3
61.02913	14.8
63.23233	0.6
67.05477	1.3
69.03416	16.6
71.01304	0.8
71.04979	7.9
72.08138	30.8
73.02900	10.4
75.04427	0.9
81.03394	4.8
83.04957	1.1
85.02885	100.0
85.06524	4.4
86.06061	1.1
87.04440	6.9
91.03905	0.9
92.09019	1.4
95.04936	1.5
97.02863	17.8
99.04406	2.9
99.97021	0.7
101.02363	12.9
103.03915	24.8
103.07545	2.9
104.07098	6.2
109.02840	5.2
109.09566	0.9
112.46457	0.7
113.05972	5.9
118.08620	11.6
124.01114	0.8
127.03839	8.5
131.07001	4.6
145.04921	9.7
149.04431	81.7
149.08078	1.5
163.05914	1.2
163.23599	0.9
190.21252	0.8
200.53865	0.9
274.75101	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	10.1
53.21549	1.9
55.01857	4.4
55.05503	20.9
57.03421	5.1
57.07055	8.5
59.05003	1.9
65.03895	3.4
65.50392	2.0
67.05494	49.2
69.03414	2.6
69.07059	18.2
71.04950	2.4
79.05476	44.6
81.07045	50.7
83.08580	10.4
91.05460	63.0
91.82157	2.0
92.08897	12.2
93.07027	91.0
95.04948	86.6
95.08008	3.4
95.08578	66.1
97.06501	17.8
103.05409	3.6
105.07013	100.0
107.04873	2.7
107.08571	58.9
109.06486	18.9
109.10104	21.4
115.05413	9.2
116.97168	3.7
117.07003	24.7
119.08561	84.8
121.06502	18.2
121.10112	35.5
123.08041	10.5
123.11715	2.9
128.06181	12.6
129.06981	18.7
130.07805	6.3
131.08545	41.3
133.06424	2.5
133.10104	55.1
135.08038	37.4
135.11661	11.5
137.09619	4.7
141.06975	3.0
142.07744	17.4
143.08530	28.9
144.09320	12.3
145.10110	52.9
147.11641	13.2
155.08546	9.6
156.09320	13.9
157.10092	31.9
158.10864	13.0
159.11656	39.8
161.09581	15.2
161.13156	4.1
165.09065	13.4
167.08514	4.5
168.09309	3.5
169.10094	13.8
170.10835	3.3
171.11581	17.9
173.13213	14.9
175.11018	2.9
175.14772	15.7
179.08498	2.5
181.10100	8.7
182.10805	2.9
183.11682	10.0
185.13240	4.9
187.11122	3.0
187.14787	8.1
189.12683	4.5
195.11632	8.6
197.13202	5.3
199.14754	9.1
201.16356	2.8
205.51062	2.2
209.13168	8.2
211.14735	4.6
221.13208	3.7
327.23087	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	328.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.4
55.01858	1.7
57.03428	2.8
61.02913	5.2
67.05500	0.4
69.03416	12.7
69.07055	0.5
70.10654	0.3
71.04971	0.8
73.02898	1.8
74.99667	0.3
79.05467	0.6
81.03403	5.4
81.07041	0.5
83.01306	0.4
85.02894	26.8
87.04445	1.3
89.03902	0.4
91.03948	0.8
91.05461	3.8
92.08900	1.2
93.07015	0.5
95.04961	0.7
95.08562	0.6
97.02876	9.6
99.00812	1.5
99.04414	1.6
104.04979	1.6
105.07023	0.7
106.02903	0.5
107.04945	0.4
107.08559	0.6
107.10693	0.3
109.02877	3.1
117.03381	2.8
119.04934	3.6
119.08587	0.4
121.10106	0.4
124.03913	4.2
124.50001	0.4
127.03906	4.6
138.05559	0.4
145.02835	4.1
145.04910	3.2
148.02144	100.0
166.03195	64.6
167.03470	0.6
177.05449	6.8
213.09084	2.3
292.47299	0.4
328.08542	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	327.2161
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
53.03945	2.5
55.01854	19.8
55.05503	100.0
56.96554	6.0
57.03420	13.4
59.04976	4.7
65.03932	3.2
65.98112	2.5
67.05193	3.4
67.05492	63.5
69.03422	19.9
69.07046	29.2
71.04971	4.5
72.72028	2.6
79.05471	54.2
81.03392	31.7
81.07037	74.9
83.04971	24.4
83.08596	61.4
85.06528	3.3
91.05447	39.5
92.08963	3.2
93.07034	51.8
95.04942	47.3
95.08576	69.5
97.06509	15.5
97.10149	65.9
98.97520	4.3
98.98442	3.8
99.08056	3.1
105.03380	6.3
105.07030	42.6
107.04944	13.8
107.08591	36.5
109.06491	11.3
109.10157	26.2
111.04415	6.0
111.08073	6.8
117.07010	14.3
119.08553	37.4
120.68549	2.8
121.06490	4.6
121.10119	19.0
123.08046	79.7
123.11668	14.5
125.09597	47.7
129.07016	11.3
131.08534	13.7
133.06505	3.2
133.10115	15.6
135.04335	2.9
135.08040	5.9
135.11609	3.4
137.05949	4.4
137.09575	15.5
145.10124	15.0
147.08008	6.4
147.11642	11.9
149.09584	5.2
157.10150	6.5
161.09528	5.0
163.11150	14.0
165.09071	10.6
169.12250	3.9
175.11195	5.7
176.11311	2.8
187.13260	5.8
189.11154	32.4
193.12219	16.5
211.13269	21.4
223.13103	4.1
227.17874	3.4
241.11118	4.4
253.11098	6.1
259.12161	12.1
271.12082	23.3
273.18475	32.3
291.19476	55.1
309.20593	21.0
348.19022	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	327.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03340	0.2
52.60784	0.2
55.01857	0.2
55.05498	1.0
58.50900	0.2
65.03915	1.2
69.03404	0.4
69.07057	0.3
69.67802	0.2
70.06570	0.2
83.08591	2.5
84.08920	0.9
85.02872	1.1
91.05457	10.3
93.07018	0.3
95.04939	1.0
97.02858	0.4
98.98429	0.3
105.03360	0.9
111.08076	0.3
119.04913	30.2
123.04370	1.0
124.07529	0.4
129.09045	2.0
130.09422	0.4
145.70630	0.2
147.04382	100.0
148.04716	0.4
165.05432	22.3
306.48694	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.107
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
55.05487	0.8
61.86255	0.1
62.06066	0.1
64.68040	0.2
65.03927	1.2
65.04182	0.1
69.03416	0.3
70.06560	0.1
77.67872	0.1
79.05505	0.2
83.04889	0.2
83.08595	0.8
84.08896	0.3
85.02871	0.7
91.05459	9.6
95.04931	0.7
97.02889	0.2
105.03365	0.8
105.07040	0.2
108.40848	0.1
109.02914	0.2
111.08035	0.2
119.04918	28.8
123.04398	0.9
129.09079	1.2
130.09392	0.3
147.04385	100.0
148.04799	0.2
165.05437	23.7
185.39082	0.2
251.71942	0.2
272.29623	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.3
55.01868	26.4
55.05507	32.1
55.21574	1.6
56.85993	1.8
56.96551	8.9
57.03429	3.7
57.07067	2.8
59.04992	2.1
59.93364	1.7
67.05492	100.0
69.03414	7.9
69.07050	28.8
71.04976	12.3
79.05473	45.3
81.03403	20.5
81.07040	93.8
83.04948	22.4
83.08593	9.1
85.02884	2.5
85.06528	4.3
88.13190	1.8
91.05461	56.0
91.06006	2.9
92.08994	17.0
93.07026	49.6
95.01325	2.8
95.04947	21.5
95.08582	88.0
97.02885	4.0
97.06494	7.4
97.10131	1.8
98.98426	3.8
105.07011	64.6
107.04906	13.2
107.08581	58.7
109.06509	11.9
109.10142	68.6
111.08071	2.7
113.02356	7.6
113.05998	2.4
117.06987	10.4
119.08532	18.2
121.06506	3.5
121.10134	12.4
123.00762	7.5
123.04366	2.3
123.08059	20.5
123.11691	11.5
129.06987	2.8
131.08577	12.0
133.06429	2.6
133.10109	80.7
135.08044	8.9
135.11702	3.8
137.09583	8.9
143.03354	2.4
143.08569	7.3
145.10095	4.5
147.08000	4.0
147.11674	2.5
149.09628	7.3
151.11153	35.3
159.11642	1.9
161.09596	4.3
169.01295	4.2
169.12218	9.3
171.11610	3.1
175.11137	3.3
176.79846	2.0
187.02359	3.0
255.17453	4.3
273.18478	12.8
291.19513	28.0
309.20569	2.4
326.30338	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	326.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	0.4
53.03936	1.3
55.01866	0.8
55.05229	0.5
55.05499	12.2
57.03423	3.2
57.07060	1.4
59.04993	0.8
61.02913	5.2
61.68449	0.3
67.05486	0.8
69.03416	10.2
69.03762	0.6
69.07051	100.0
71.04965	1.5
73.02905	1.8
81.03413	4.2
83.01328	0.5
83.08607	7.0
84.18623	0.3
85.02885	47.2
87.04453	0.7
91.03933	2.1
92.09201	1.7
92.36709	0.4
97.02863	10.9
99.04447	1.5
101.09637	4.8
103.03967	0.4
105.03373	0.4
109.02870	3.7
111.11697	20.0
115.03938	0.5
127.03893	6.8
129.12735	7.2
145.04930	9.0
147.10172	0.8
147.13779	21.5
163.06000	1.9
164.04298	0.5
165.69463	0.4
242.22705	0.3
311.49133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47744	0.5
53.00295	0.8
53.03945	0.9
55.01870	5.3
55.05502	32.6
56.96556	2.9
57.03423	1.3
57.07067	1.0
59.04980	0.8
67.05490	15.5
69.03416	5.5
69.07051	21.6
69.57829	0.6
71.04973	1.3
74.06853	0.5
77.91260	0.6
79.05476	17.8
81.03394	4.0
81.07032	18.9
81.07474	0.9
83.04954	4.9
83.08598	11.4
85.06522	0.7
91.05461	10.6
92.08905	1.3
93.07016	15.9
95.01292	0.6
95.04942	6.5
95.08579	8.4
97.02844	5.5
97.06512	0.8
97.10149	16.4
105.07014	12.1
107.04947	4.4
107.08572	9.8
109.06487	1.2
109.10128	4.0
111.08072	0.7
113.02367	0.9
117.06999	5.4
119.04941	0.9
119.08562	6.7
120.05695	0.8
121.06441	2.3
121.10094	3.2
123.00793	1.0
123.04424	0.8
123.08074	2.2
125.09620	7.5
128.06181	0.6
129.06952	2.2
131.08527	4.9
133.06479	3.2
133.10101	3.3
134.07246	0.8
135.08032	10.2
135.11682	0.6
136.08348	2.7
137.05983	1.3
137.08612	0.7
137.09586	1.3
141.01784	0.7
142.07724	0.6
143.08559	2.2
145.10098	3.8
147.08011	4.7
147.11674	0.9
149.09593	1.4
157.10115	0.8
159.11603	0.9
161.09615	1.1
162.10345	0.7
163.11142	0.7
165.09065	1.0
171.11670	1.0
189.11153	3.0
223.13219	8.7
245.18901	0.7
249.14755	3.3
253.10767	0.7
273.18460	6.2
291.19479	100.0
309.20486	0.7
326.23495	0.7
326.30417	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
53.58937	1.0
55.01864	4.1
55.05504	13.2
57.03432	9.7
59.04982	4.3
61.02911	12.8
67.05481	6.7
69.03413	26.3
71.04971	7.6
72.08125	1.1
73.02883	5.2
73.06540	8.7
81.03396	9.6
83.04970	41.7
84.08134	1.4
85.02890	100.0
85.06510	4.4
86.09690	2.3
87.00823	2.3
87.04468	8.3
91.03930	6.0
92.09015	2.3
93.07032	1.3
94.26585	1.0
97.02874	28.2
98.97565	2.2
99.04434	18.4
101.05991	16.1
102.05528	1.9
103.03934	1.4
105.01852	4.0
109.02879	9.1
110.07143	2.1
111.04424	18.5
111.08057	6.2
117.05466	25.6
119.07021	1.9
127.03897	16.2
129.05455	38.7
129.09062	1.2
141.53766	1.2
145.04945	20.5
146.08000	2.3
147.06511	37.8
163.05954	4.2
180.08635	1.9
214.03485	1.0
257.30591	1.0
278.68024	1.1
326.14490	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.5
55.01863	6.6
55.05503	1.7
57.03428	8.1
57.07040	0.9
60.03078	0.8
61.02929	7.4
63.32220	0.7
65.98281	0.8
67.05501	11.4
68.05830	1.2
68.99776	3.9
69.03413	43.7
70.06572	5.3
71.01337	1.1
71.04976	21.2
72.05295	1.4
73.02908	7.1
81.03404	21.6
81.07035	2.0
83.08597	4.9
85.02889	100.0
85.06535	7.8
86.09674	0.9
86.39363	0.9
87.00813	53.1
91.03916	1.6
92.09081	3.1
93.06998	1.7
97.02872	31.8
99.04420	11.7
99.08065	1.5
101.02374	1.0
105.01849	52.6
105.03369	5.0
109.02860	21.6
109.10142	7.0
109.26447	0.8
110.10464	1.9
111.08070	5.4
114.95647	0.8
115.90898	1.0
117.01842	1.7
122.42104	0.9
123.00790	6.4
127.03892	49.6
127.07551	1.2
127.11172	9.6
128.11484	4.2
129.01823	1.7
129.09094	7.4
141.01842	1.3
145.04932	19.0
145.12221	3.7
146.12602	0.9
147.02904	0.9
158.42813	0.9
159.02861	9.1
163.03912	1.7
163.08543	1.3
163.13239	2.2
164.04216	1.9
164.13623	1.3
164.64926	0.9
169.01273	4.7
181.58334	1.1
189.03833	1.3
213.12341	1.6
231.05005	10.5
237.02449	0.9
244.29089	1.1
249.06081	6.5
260.87250	1.2
273.73950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.9
53.03942	0.8
54.81758	0.7
55.01858	1.6
55.05259	1.2
55.05505	16.5
57.07066	1.6
59.04996	0.8
60.31550	0.6
65.53231	0.6
67.05492	9.7
69.03427	1.4
69.07050	11.7
69.30429	0.7
71.05001	0.7
71.08616	13.6
71.14161	0.6
72.44949	0.6
72.93787	1.0
73.06924	0.7
73.26237	0.8
79.05479	16.1
79.05910	1.2
81.07041	10.5
83.04953	1.1
83.08607	5.1
91.05453	5.2
92.08870	3.1
92.09403	1.0
93.07009	6.3
95.04958	4.2
95.08594	5.5
97.10139	6.9
99.08076	6.5
105.07050	3.8
107.04927	4.1
107.08560	7.3
108.05702	1.3
109.06544	2.5
109.10194	2.2
115.71854	0.8
117.07015	1.1
119.08586	1.7
121.06488	9.1
121.10088	1.7
123.08096	0.9
123.11793	0.7
125.09602	4.2
131.08551	1.3
135.08025	1.4
145.10168	1.2
148.20050	0.8
151.11176	1.3
177.12709	1.7
203.12767	0.9
275.20026	4.9
293.21054	100.0
307.22681	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	326.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27477	1.3
53.00274	1.6
55.00114	1.3
55.05503	3.5
56.61417	1.6
56.96567	2.4
57.03428	7.4
67.05529	1.9
69.03420	29.9
69.07060	32.7
73.27040	1.5
79.05478	7.8
83.26162	1.5
83.97012	1.6
85.02894	27.3
91.05441	1.8
95.01318	58.1
95.04984	2.5
97.02876	94.3
97.06451	1.7
98.97549	1.7
98.98418	1.7
99.00774	1.7
105.03391	8.4
109.10174	3.0
109.66102	1.6
111.11719	9.8
113.01564	2.2
113.02356	77.1
123.00771	100.0
123.04401	11.5
125.02353	16.5
129.12784	3.9
141.01813	73.8
143.03374	51.7
147.13780	1.9
162.53094	1.7
163.03925	2.0
169.01295	76.3
187.02345	38.0
204.05115	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
54.59334	0.3
54.81573	0.4
55.01854	0.7
55.05505	3.7
56.05023	0.9
57.03437	4.0
59.04985	0.9
61.02908	2.9
64.56553	0.3
67.05495	8.5
69.03405	4.3
69.07043	1.8
70.06569	0.6
71.04981	3.3
71.08609	2.1
73.02896	0.7
73.06541	2.1
79.05470	3.5
80.05019	0.5
81.03396	2.4
81.07041	9.2
82.07373	0.6
83.06072	3.6
83.08616	1.0
84.04489	100.0
85.02893	12.1
85.06537	3.4
86.06873	0.5
87.81924	0.4
89.03900	0.8
91.05452	0.6
95.04961	4.2
95.41548	0.4
96.04478	4.3
97.02870	5.8
98.06009	3.1
99.04424	0.7
99.08076	5.6
105.03375	43.9
107.04936	0.9
108.04487	0.8
109.02876	2.4
109.06507	7.2
109.10133	10.6
110.10486	1.0
116.98594	0.6
117.03357	2.7
117.07084	0.5
117.09106	12.0
119.08544	0.4
122.05213	0.7
122.06001	8.2
126.05489	68.8
127.03887	2.4
127.07532	10.9
127.11187	2.2
128.07883	1.0
135.04385	8.6
138.05473	14.2
144.06570	4.3
145.02802	3.9
145.04973	1.0
145.06432	0.6
145.07559	0.5
145.08601	1.4
145.12265	2.0
146.08948	0.7
150.05444	0.6
163.03868	31.3
163.08582	1.0
163.09776	0.6
163.13304	0.7
168.06538	4.2
175.07509	0.5
186.07593	2.5
204.08652	17.7
235.09715	0.5
262.08316	0.5
266.10123	0.4
271.10764	0.8
272.93576	0.4
325.13770	0.5
326.11920	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2007
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03937	4.8
54.81312	3.2
55.01855	13.0
55.05506	90.6
56.41359	2.6
56.96547	13.4
57.03428	61.0
60.62413	2.7
61.70265	3.3
64.97584	2.8
67.05489	79.2
68.25085	4.0
69.03406	15.3
69.07053	30.0
71.04985	4.6
79.05474	56.7
81.03396	19.8
81.07030	69.5
83.04965	13.3
83.08604	30.6
85.02895	8.1
85.06544	30.1
91.05457	37.2
93.07038	34.9
95.04945	47.7
95.08574	51.8
97.02842	5.3
97.06525	4.8
97.10149	45.3
98.97605	7.7
105.07026	28.0
105.17071	3.0
107.04958	17.0
107.08587	32.0
109.02861	4.5
109.06499	100.0
109.10154	25.5
113.02248	3.1
113.05998	42.9
113.51861	3.4
116.98621	4.0
117.06967	16.9
119.08556	26.4
121.06474	20.8
121.10137	7.5
122.72358	3.1
123.08024	3.3
123.11692	6.5
125.09578	24.3
129.06956	5.3
131.08562	14.6
133.10126	7.7
134.99585	4.2
135.08002	19.0
137.09604	15.2
141.06978	4.1
145.10085	6.1
147.08011	4.7
147.11684	5.7
149.09566	4.9
157.10138	3.5
159.08055	35.4
159.11618	7.6
161.09604	5.6
161.13254	3.3
169.10118	4.1
173.09631	4.5
173.13271	3.5
177.09061	4.0
245.63460	3.2
246.53146	3.4
253.15718	5.1
261.18402	14.7
266.60031	3.6
271.16888	13.1
289.17883	60.1
307.19061	29.7
307.22150	3.4
319.72357	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0915
Annotation	Skimmin
Peak:m/z	Relative Intensity
50.58484	0.2
55.05503	0.2
56.60813	0.2
57.03427	0.3
58.25612	0.2
61.02889	0.5
67.05486	0.5
69.03408	1.2
71.04979	2.1
73.02880	0.4
74.11507	0.2
79.05460	1.5
81.03397	0.6
81.07036	0.3
84.65716	0.2
85.02899	3.5
89.03886	3.9
91.05431	0.3
92.08809	1.0
92.09363	0.4
93.07017	0.4
95.04977	0.3
96.59441	0.2
97.02877	2.8
99.04454	0.3
105.03384	0.4
105.07037	0.3
107.04938	1.5
109.02868	0.6
109.06508	0.3
109.10147	0.5
116.24640	0.2
117.03367	8.6
119.08544	0.4
122.60151	0.2
127.03933	0.4
127.11198	2.1
128.11528	0.5
133.10097	0.5
135.04399	21.7
145.02835	16.9
145.21825	0.3
163.03877	100.0
164.04172	0.5
174.20982	0.2
278.11533	0.2
325.09140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49015	0.1
80.48808	0.2
82.01573	0.1
92.08903	0.3
98.97525	0.3
101.00833	1.0
119.01056	0.3
119.01894	7.5
125.29965	0.2
134.99870	0.3
136.55469	0.2
137.02930	2.1
153.00859	0.2
158.99834	0.4
177.00911	16.0
178.00972	0.2
182.99850	0.7
191.79785	0.2
192.98889	0.3
193.03882	0.2
195.01892	0.3
201.00868	1.3
216.98920	1.1
217.04056	3.7
218.03552	1.1
219.01967	29.6
220.02065	0.9
221.01923	0.1
222.97632	0.2
225.00832	1.5
234.99945	4.9
235.02255	0.2
236.00085	0.2
240.98711	1.2
243.01900	5.3
243.04379	0.2
249.98589	0.2
253.00980	2.0
258.99951	11.7
260.00125	0.6
260.04602	3.8
261.03003	100.0
262.03201	1.7
263.03293	0.3
264.98926	0.6
273.98587	0.7
277.00989	13.2
278.01114	0.8
282.99933	15.7
284.00107	1.3
284.04474	2.7
291.99664	0.6
301.00992	33.7
302.01233	2.4
302.05640	13.6
319.02017	2.4
324.02472	0.3
325.01514	1.1
343.02051	6.7
343.05829	0.2
344.02057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14925	0.2
54.81425	0.2
55.05503	0.4
55.88271	0.2
56.97295	0.1
57.03414	0.7
59.81005	0.2
61.02893	0.2
63.02365	0.2
65.25582	0.2
67.05476	0.8
69.03062	0.2
69.03407	1.4
71.04965	1.9
71.85407	0.2
73.02882	0.2
79.05467	1.2
81.03387	0.7
81.07027	0.8
83.04976	0.3
83.08636	0.3
85.02889	3.9
85.65647	0.2
89.03895	4.6
91.05473	0.5
92.09210	0.3
93.07029	0.8
93.79707	0.2
95.04923	0.9
95.08561	0.4
97.02852	2.4
99.04478	0.2
105.03367	0.4
105.06992	0.5
107.04936	2.6
107.08546	0.5
109.02828	0.4
109.10143	0.9
114.36703	0.2
117.03362	6.4
119.08539	0.5
121.10164	0.3
123.08025	0.2
127.03918	0.4
127.11155	2.5
128.11516	0.4
133.10101	0.5
135.04387	20.8
135.11731	0.2
138.57758	0.2
145.02826	15.4
145.04843	0.4
145.12184	0.4
146.12695	0.3
159.25992	0.2
163.03870	100.0
173.13309	0.3
181.04727	0.2
187.14708	0.2
240.57738	0.3
266.66312	0.2
289.17899	0.2
325.09039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85994	0.3
67.05488	0.3
75.62650	0.3
76.00081	0.3
77.95251	0.3
79.05473	2.9
91.05459	1.6
92.08907	1.5
102.01637	0.3
105.06987	2.7
106.07826	0.4
107.04902	0.4
107.08574	3.7
109.06535	0.5
109.08908	0.3
115.05399	0.4
117.07005	0.6
133.06462	1.2
134.07260	2.1
135.08025	100.0
136.08315	0.3
151.07472	0.3
158.03528	0.3
255.29660	0.3
324.23456	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	324.2164
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
51.33330	1.1
55.05485	1.4
56.96547	1.1
67.05499	2.6
69.07041	11.2
79.05465	4.9
79.43891	1.2
81.07024	11.6
83.04960	5.2
86.09689	100.0
91.05463	12.8
93.07028	13.8
95.04975	2.9
95.08601	1.5
98.97578	5.5
105.03384	1.4
105.06999	15.6
107.08572	7.0
109.02848	1.2
109.06516	10.1
111.08044	2.5
116.70364	1.3
116.98608	2.7
119.08565	5.2
123.96318	1.1
128.10721	2.0
129.06960	1.3
131.08545	5.5
132.10201	15.8
133.10106	18.2
134.99640	2.2
147.11668	11.4
149.09627	2.1
151.07538	2.9
151.11151	22.5
157.10168	1.4
160.28407	1.1
175.11174	1.8
185.06104	1.1
193.12146	2.1
260.20059	2.5
278.21124	15.0
306.20547	1.6
324.21494	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	324.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01870	8.2
55.05505	41.7
56.96540	2.0
57.03430	44.0
59.04996	0.9
59.71798	0.7
67.05148	1.1
67.05493	29.3
69.03403	3.7
69.07051	9.8
71.04982	1.2
77.98876	0.7
79.05478	32.3
80.90160	0.9
81.03391	5.4
81.07038	24.6
83.04958	4.3
83.08607	14.0
85.06512	1.9
91.05455	18.1
92.08701	1.3
92.09203	1.2
93.07021	16.0
95.04934	6.5
95.08566	6.0
97.06497	1.4
97.10149	24.8
97.70317	0.8
98.97552	5.4
102.04794	0.9
105.06986	12.4
107.04923	15.5
107.08570	18.0
108.37948	0.8
109.06489	8.8
109.10132	8.6
111.08103	1.7
112.12603	0.8
115.05476	2.0
116.98557	3.6
117.07004	13.4
119.08565	12.9
119.66571	0.9
121.06464	8.0
121.10093	1.5
125.09602	14.2
128.06190	1.2
129.06987	4.5
131.04900	3.6
131.08556	6.2
133.06477	4.2
133.10127	1.7
134.99626	1.5
135.08017	19.8
137.09599	4.3
140.34418	0.9
141.06993	1.8
143.08527	3.2
145.06491	6.4
145.10104	5.3
147.08018	6.7
149.09627	2.0
153.09068	6.0
155.08554	1.7
159.08022	44.2
159.11646	1.5
160.08766	3.7
161.09561	1.8
163.07530	4.3
169.10159	3.6
171.10162	1.4
171.11620	1.6
173.09596	5.0
173.13232	1.2
177.09068	1.6
185.09575	3.7
187.14780	7.1
189.11217	5.4
189.12756	1.1
211.11040	1.1
215.14276	11.0
225.16164	1.0
225.93456	0.9
233.15312	15.0
243.17433	4.0
251.16306	0.9
253.15831	8.0
261.18393	1.2
271.16864	31.5
278.01062	1.9
289.17914	100.0
307.18942	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16795	0.4
53.03940	0.6
54.06692	0.4
55.01859	0.4
55.05505	0.6
57.03417	0.9
57.07059	2.1
59.04991	0.7
61.02912	1.2
65.21925	0.4
65.65268	0.4
67.05491	9.6
69.03407	3.7
69.07053	3.8
71.04982	0.7
72.08105	0.6
73.02895	0.8
74.44470	0.4
77.82809	0.5
79.05470	5.2
81.03419	0.8
81.07040	46.9
83.04961	0.9
83.08569	0.6
84.04478	1.1
85.02888	13.4
85.06528	80.7
86.09673	3.7
91.05445	0.5
92.08871	2.0
97.02888	4.0
97.06502	3.1
99.08067	3.9
107.04925	0.5
109.02822	0.6
109.06506	34.6
109.10135	2.5
115.03937	0.4
115.07576	3.6
117.09126	0.6
120.34594	0.5
125.05937	0.4
127.03914	1.0
127.07530	100.0
136.07558	0.7
145.04906	1.1
145.08578	18.1
153.41685	0.5
163.03906	4.6
163.05894	0.7
242.82039	0.5
345.89688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94545	0.5
52.67997	0.5
53.00303	0.7
55.01869	4.6
55.05504	9.5
57.03424	9.9
59.04982	0.7
61.02914	4.6
61.03173	0.6
67.05492	15.0
69.03414	10.0
69.07053	100.0
71.01326	3.7
71.04990	0.7
73.02489	0.7
73.02898	18.9
76.92013	0.5
81.03391	4.2
81.07044	4.7
83.01318	0.7
83.08607	6.2
85.02883	19.8
87.00813	0.6
87.04456	2.1
91.03922	0.7
92.09153	1.0
92.58936	0.6
97.02864	12.7
103.03918	1.1
105.03383	0.7
107.04944	1.1
108.80125	0.6
109.02849	0.9
109.10146	29.4
111.11699	17.9
115.03912	13.8
125.02309	11.5
127.03910	2.6
127.11074	2.3
133.02811	2.7
133.04936	30.3
145.04936	3.2
151.03841	0.7
161.02312	0.8
179.03372	4.5
179.05475	20.9
289.16318	0.9
290.90411	0.6
324.10367	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	2.4
53.03930	1.3
55.05504	52.6
55.44291	1.1
56.46656	1.0
56.87190	0.9
56.98415	1.2
57.03425	1.7
57.07065	59.2
67.05482	15.2
69.03407	1.4
69.07051	100.0
70.68684	1.0
71.04977	2.1
71.08615	39.7
71.12847	1.1
73.06531	1.4
79.05481	8.8
81.07039	47.7
81.07525	1.5
83.04950	2.5
83.08601	67.3
85.06525	9.0
85.10164	20.1
87.64191	1.2
91.05465	6.5
92.08851	2.3
92.09337	1.4
93.07011	21.3
95.08581	52.7
97.06494	13.3
97.10141	32.8
101.05972	1.9
105.07022	19.5
107.08571	23.0
109.06509	5.1
109.10132	25.4
111.08053	6.4
111.11707	17.2
113.13274	1.9
115.07548	7.5
115.13654	1.1
119.08564	19.8
121.10107	14.4
123.08023	5.2
123.11698	17.3
125.09614	1.7
125.13257	6.1
127.07537	2.3
129.09068	1.4
133.10100	18.7
135.11676	11.8
137.09579	6.1
137.13249	9.3
139.11116	1.6
147.11679	16.1
149.13211	6.5
151.11124	9.4
151.14853	1.8
153.12720	1.8
153.16328	1.2
161.13240	17.8
163.14764	1.9
165.12732	9.5
169.12242	1.6
175.14824	7.4
177.16371	1.6
179.14268	12.5
183.13762	2.9
189.16406	4.7
193.15897	2.8
197.15288	2.3
207.17506	2.8
231.21059	1.4
235.20525	1.5
263.27316	1.9
287.27234	6.9
305.28217	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	324.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
54.29087	0.4
55.05258	0.4
55.05498	4.4
56.96538	0.6
57.03409	2.0
58.24261	0.5
59.04971	0.4
60.04493	2.4
61.02893	0.4
67.05482	2.5
69.03424	4.2
69.07040	0.8
70.06537	0.5
71.04972	1.0
74.06013	0.6
78.31248	0.5
79.05463	2.7
81.03373	1.1
81.07037	28.7
83.04955	4.5
83.08579	2.4
83.17358	0.5
85.02892	7.4
85.06527	9.0
92.09126	0.7
95.04910	0.5
95.08591	0.7
97.00601	0.5
97.02868	1.0
97.06522	0.5
98.97583	0.6
99.08076	12.2
107.04921	0.9
109.02847	1.8
109.06496	7.4
109.10098	3.0
111.04405	0.9
116.04958	3.7
116.98586	0.9
120.04435	0.6
120.08078	20.5
125.09604	0.5
127.03908	0.9
127.07532	32.6
129.05481	0.5
130.06471	0.6
131.08199	0.7
133.02806	1.1
145.05182	5.1
145.08566	17.9
151.24542	0.5
162.05470	100.0
163.03854	1.6
167.19283	0.5
177.08714	1.1
179.03378	3.3
186.04535	0.6
207.11275	1.9
235.10822	1.1
248.70906	0.5
324.07288	1.2
324.10526	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37433	1.5
53.03951	3.6
55.01864	20.4
55.05503	52.3
57.03428	7.5
57.07064	3.2
57.42588	1.6
64.87553	1.6
67.05141	3.6
67.05490	83.3
68.99802	1.6
69.03412	10.0
69.07057	21.5
73.06516	2.7
79.05048	3.5
79.05475	58.9
79.05939	2.2
81.03391	7.1
81.07037	100.0
83.01335	3.1
83.04961	67.5
83.08611	8.2
85.06525	10.3
91.05455	61.8
91.06007	3.2
92.08812	6.7
93.07025	62.4
95.04943	14.7
95.08586	28.8
97.06499	7.9
98.97567	3.2
99.08070	3.7
105.07007	66.4
107.04935	11.7
107.08574	62.1
109.06500	13.9
109.10142	56.3
111.04429	4.5
111.08069	7.1
115.07578	2.0
116.98619	2.6
117.07001	12.0
119.08562	19.1
121.06480	15.9
121.10136	10.4
123.04418	2.3
123.08037	4.5
123.11698	15.8
127.07568	2.0
128.06178	2.1
129.07027	3.7
131.08545	17.8
133.06464	14.1
133.10103	85.6
135.08022	9.5
135.11693	4.7
137.05966	2.7
137.09619	4.5
139.07532	3.8
143.08513	7.1
145.10094	8.8
147.08067	7.7
147.11697	4.3
149.09589	10.1
151.11165	42.0
151.76176	2.0
157.10083	3.5
159.08052	2.6
161.09590	8.7
163.11116	2.6
171.11768	3.1
175.11133	3.3
177.09059	3.6
179.10599	2.6
183.13742	16.0
245.19023	7.8
263.20026	8.2
273.18265	19.2
291.19485	28.2
296.47861	2.1
305.21103	18.2
323.21902	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	323.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43781	1.1
53.03929	2.0
55.01865	9.5
55.05504	43.0
57.03428	20.6
60.34170	1.0
67.05493	26.4
69.03401	6.9
69.07056	25.6
71.04964	1.9
79.05477	25.3
81.03403	2.7
81.07032	29.3
82.65359	1.4
83.04968	5.6
83.08603	12.7
85.06519	1.6
91.05446	24.4
92.09068	6.6
93.07011	18.4
94.79867	1.3
95.04946	11.4
95.08583	14.1
97.02892	4.3
97.06527	2.4
97.10161	19.1
98.97607	1.3
102.09591	1.1
104.88126	1.1
105.07010	19.9
107.04919	6.2
107.08578	18.8
109.06493	7.1
109.10151	6.9
111.04404	1.3
111.08102	1.3
115.05444	1.3
116.98579	4.3
117.06978	8.6
119.08562	15.6
121.06465	5.9
121.10110	4.9
123.08026	5.8
125.09626	14.5
127.07527	5.0
129.06934	2.4
131.08549	9.6
133.06470	2.3
133.10085	4.8
135.08003	8.3
135.11639	1.6
137.09575	1.6
143.08517	4.7
145.06628	1.2
145.10085	7.7
147.08005	6.7
147.11638	2.3
149.09593	1.7
157.10066	4.7
159.11617	2.0
161.09587	2.3
162.10440	1.7
163.11174	2.2
171.11594	1.6
175.11171	2.7
176.04742	1.3
201.12675	1.4
203.12802	6.3
223.13190	14.0
233.09221	1.3
245.42645	1.5
249.14804	1.4
264.68286	1.3
272.78131	1.2
273.18420	12.5
277.00912	1.3
291.19470	100.0
305.21005	12.4
323.22052	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.8
55.01870	20.4
55.05509	61.9
57.03429	8.9
57.07061	11.6
65.03931	2.6
67.05493	84.4
67.48203	1.8
69.03424	5.3
69.07057	29.5
71.04982	3.6
75.03274	2.3
79.05480	58.7
81.03374	4.1
81.07040	100.0
83.01353	4.8
83.04969	56.4
83.08609	12.2
84.36383	2.4
85.06528	13.3
91.04518	2.2
91.05463	64.7
92.08883	8.7
93.07022	71.2
93.07565	3.6
95.04939	21.0
95.08580	40.3
97.06529	9.0
97.10146	4.5
105.07021	72.5
107.04961	16.4
107.08574	59.7
109.06509	18.7
109.10137	53.5
109.74374	2.0
111.04437	12.0
111.08047	15.9
117.07007	15.1
117.21230	2.2
119.08556	22.3
121.06503	14.6
121.10136	19.0
123.04460	2.8
123.08045	9.4
123.11713	14.3
128.06213	2.6
129.07019	4.7
131.08554	19.9
133.06485	15.6
133.10106	72.0
135.08060	14.1
135.11633	8.8
137.06003	3.4
137.09639	3.8
139.07533	4.4
143.08543	9.3
145.10120	12.1
147.08055	9.9
147.11697	9.1
149.09627	9.8
151.11156	38.3
157.10161	3.4
159.11636	3.1
161.09628	8.7
161.13266	2.6
165.09209	2.8
165.47574	2.5
171.11632	2.9
175.11166	2.4
179.10556	2.9
183.13789	11.9
185.13194	2.4
189.12727	3.5
227.18025	3.6
245.19069	8.8
255.17267	2.6
263.19974	5.1
273.18423	27.1
291.19528	35.9
305.21011	10.8
323.22122	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	12.7
55.05501	26.7
57.03422	14.4
65.03947	3.3
67.05140	4.7
67.05495	100.0
69.03429	3.8
69.07059	12.9
79.05473	61.8
81.03407	4.0
81.07036	63.2
83.04961	11.7
83.08636	4.4
85.06529	7.1
91.05453	41.1
92.09106	16.7
92.64542	3.1
93.07022	50.4
95.04943	78.8
95.08584	34.2
97.06497	4.4
98.97574	3.2
100.54620	2.6
105.07012	39.5
107.04939	17.9
107.08590	24.0
109.06508	43.0
109.10139	6.6
111.08083	3.4
113.05994	4.6
116.06161	4.0
116.98600	11.4
117.07001	19.8
119.08585	18.2
121.06483	11.3
121.10106	13.0
123.08058	3.7
129.06999	6.2
130.07736	3.7
131.08546	20.3
133.06516	4.7
133.10054	6.6
135.08047	26.7
135.11670	5.7
143.08556	5.0
145.10152	12.0
147.08014	5.4
149.09584	6.3
149.13269	5.3
157.10085	3.6
159.11653	4.0
273.18475	29.7
277.00815	6.2
305.21075	11.3
323.25586	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.6
53.03934	2.4
54.09705	0.5
55.01869	6.6
55.05504	38.8
56.05836	0.5
57.03419	2.5
59.04992	1.0
62.06073	8.4
65.03947	0.6
67.05489	22.0
69.03416	8.3
69.07054	28.0
69.11792	0.6
71.04955	1.0
73.73682	0.6
79.05473	24.6
81.03380	5.0
81.07039	21.0
82.69745	0.5
83.04955	4.2
83.08599	14.7
85.06496	0.7
91.05463	16.1
92.08762	1.1
92.09219	0.6
93.07024	18.9
95.01331	0.6
95.04944	9.1
95.08587	10.4
97.02866	6.4
97.06492	0.9
97.10148	20.0
105.03375	0.8
105.07008	14.6
107.04935	6.4
107.08582	15.6
109.02910	0.7
109.06503	3.4
109.10146	4.7
111.08100	0.8
115.05425	0.6
117.07006	6.3
119.04926	1.3
119.08564	10.5
119.47830	0.6
121.06458	4.9
121.10125	3.0
123.08051	3.0
125.09594	13.2
128.06256	0.8
129.06978	3.9
130.07709	0.8
131.08540	7.6
133.06482	4.8
133.10129	3.8
134.07253	0.7
134.77304	0.6
135.08014	4.5
135.11650	2.5
137.09599	0.7
139.35193	0.6
143.08539	3.6
145.10117	6.2
147.08040	5.6
147.11662	2.3
149.09575	1.2
153.09076	1.0
157.10133	1.2
159.11661	1.2
161.09569	2.4
161.13110	1.0
162.10352	1.0
163.11156	1.0
165.09189	0.8
175.11101	0.9
184.54395	0.7
203.12718	1.5
205.12236	1.2
213.73746	0.5
223.13219	16.1
237.14792	1.4
243.97395	0.6
249.14893	2.2
249.56131	0.6
263.20135	0.8
273.18481	7.9
291.19476	100.0
305.21014	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	323.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32090	1.0
53.03929	1.0
55.01859	7.3
55.05506	15.4
55.65633	0.9
55.67561	1.1
56.77386	1.1
56.79788	1.0
57.03436	14.8
59.04985	9.8
59.60154	1.2
65.03921	4.5
67.05494	72.7
67.05852	2.5
69.07057	33.0
71.04980	12.2
73.06535	6.5
79.05478	26.7
81.07042	30.7
83.04968	4.4
83.08601	2.7
85.06534	10.2
91.05460	30.8
92.09090	1.9
93.07020	26.0
95.04948	44.3
95.08582	16.1
97.06499	5.3
97.10155	4.2
98.97566	9.4
99.08074	100.0
105.03406	1.3
105.07014	19.9
105.31505	1.1
107.04948	5.6
107.08586	18.6
109.06507	27.8
109.10147	4.7
111.08058	2.1
113.05993	1.6
116.98602	8.4
117.06992	8.1
118.20473	1.2
119.08566	14.8
120.13280	1.1
121.06561	3.7
121.10133	9.0
123.08057	7.6
123.11685	2.3
127.07516	11.9
128.06169	1.6
129.07004	6.8
131.08562	12.9
133.06470	2.3
133.10075	8.8
134.06483	1.2
134.99661	4.9
135.08022	15.8
135.11659	3.9
143.08542	6.0
145.10149	8.3
147.08043	4.6
147.11655	1.7
149.09648	6.5
149.13269	1.3
157.10098	4.1
159.11670	5.2
161.09578	6.0
163.11176	4.2
171.11566	1.5
175.11154	1.9
181.10274	1.1
199.14746	1.9
217.15918	6.6
227.17921	1.3
245.18858	1.3
255.17441	1.9
258.99677	2.8
273.18448	13.9
277.00793	8.1
291.19513	17.2
305.21094	8.2
305.24478	2.1
338.64771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
64.55427	1.7
67.05505	2.0
68.09101	1.7
75.84583	1.6
80.52229	1.7
92.08645	4.6
92.09280	9.5
104.65533	1.9
118.98808	1.8
124.02599	1.8
126.91553	2.2
189.28836	1.9
323.15695	3.2
323.19522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2212
Annotation	(plusmn)8-GINGEROL
Peak:m/z	Relative Intensity
53.03933	3.1
55.01866	13.0
55.05503	15.6
56.96563	1.1
57.03427	60.2
57.07070	1.7
63.52632	0.7
65.03905	1.5
66.15119	0.7
67.05489	54.3
69.03412	2.1
69.07046	5.7
71.04964	7.3
79.05473	33.1
81.03397	4.2
81.07037	41.1
83.04952	14.7
83.08594	4.0
85.02862	1.3
85.06526	47.7
91.05459	26.1
93.07016	29.2
95.04940	62.9
95.08578	11.5
97.06478	7.6
97.10137	1.9
98.97543	6.4
99.04439	1.2
103.05442	1.0
105.07014	16.1
107.04925	8.8
107.08572	15.8
109.06495	35.9
109.10143	4.7
111.04428	17.7
111.08045	6.0
113.05986	100.0
115.05434	1.2
116.06185	1.0
116.98556	7.0
117.06983	10.1
119.08559	13.9
121.06462	7.6
121.10117	8.9
123.08050	4.8
125.09711	1.5
128.06165	1.1
129.06967	4.6
130.69142	0.7
131.08546	11.5
133.06497	1.0
133.10109	6.4
134.99640	3.8
135.08040	26.7
135.11668	7.3
135.94699	0.9
137.09592	1.0
142.07785	1.2
143.08563	7.1
145.10103	10.3
147.08038	5.5
147.11726	1.6
149.09590	5.5
153.12741	5.3
157.10110	4.3
159.11717	1.9
161.09602	4.9
163.11150	7.7
171.11638	1.5
173.09512	1.1
173.13194	1.5
175.11183	1.2
179.52252	0.8
181.12204	4.8
185.68515	0.8
191.10614	4.9
199.14767	1.1
217.15764	6.6
223.13184	1.0
227.12788	3.3
233.15518	0.9
245.18912	0.9
249.14799	1.5
255.17445	1.0
258.99689	1.3
262.06009	0.8
273.18399	16.8
277.00745	7.0
280.32114	1.1
291.19485	38.7
305.21124	5.7
328.74390	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19547	2.2
60.93684	2.6
71.41937	2.7
92.08977	6.5
115.73995	2.7
154.92833	2.9
199.73979	2.9
323.07324	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	323.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82154	0.2
55.01886	0.2
55.05507	1.0
55.29673	0.2
55.72585	0.2
65.35807	0.2
67.05484	0.4
69.03429	0.9
69.07059	1.1
71.04972	0.3
75.11691	0.2
79.05474	2.6
80.04990	0.4
81.05783	2.5
81.07040	2.6
91.05467	0.5
92.08994	1.7
93.07010	1.0
93.29338	0.2
94.06554	1.3
95.04952	0.8
96.08105	12.1
96.08720	0.4
97.02880	0.2
104.60410	0.2
105.03357	1.0
105.07006	0.2
106.06557	1.5
108.08128	0.5
120.08118	0.5
121.10148	0.2
122.05994	0.4
122.28798	0.2
124.07565	37.7
126.05550	0.4
136.07553	73.8
137.05890	0.3
138.09116	1.3
140.07031	1.7
146.06018	0.9
164.07034	100.0
173.13316	0.2
174.05516	0.2
182.08092	41.9
183.08504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.8
57.07070	4.3
67.05492	18.8
69.07046	15.5
71.04970	7.7
79.05459	29.0
81.07042	78.0
83.04956	3.7
83.08616	6.7
85.06530	26.8
91.05470	38.2
92.08561	5.5
92.09212	17.8
93.07016	83.4
95.04974	3.7
95.08583	49.2
99.41962	3.2
105.07008	100.0
107.08572	60.1
109.10161	23.4
110.36349	3.6
111.08071	3.7
113.09589	4.5
117.07017	5.0
119.08560	49.2
121.10117	43.0
125.09585	4.7
129.07036	3.9
131.08531	5.4
133.10115	27.8
135.11649	16.5
139.11102	4.5
143.08511	7.1
145.10124	18.3
147.11705	18.7
149.13246	5.5
157.10164	5.5
159.11682	16.8
161.13208	30.4
163.14815	23.0
173.13231	19.7
175.14867	4.0
199.14751	4.1
213.16565	5.3
229.19469	7.7
231.54388	3.3
248.30751	3.4
269.22369	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	322.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22855	0.8
52.02306	0.8
53.03946	0.8
55.05515	9.9
62.06079	100.0
65.30226	0.7
67.05498	24.2
68.58778	0.8
69.07066	8.5
71.66333	0.7
72.06033	0.8
79.05481	19.0
81.07042	22.1
81.07482	1.4
83.08613	1.9
91.05460	7.0
92.08725	1.0
92.09196	1.5
93.07024	16.0
95.04938	1.5
95.08591	14.4
97.10183	1.0
99.04387	1.0
105.07011	5.7
107.08580	10.9
109.10113	6.3
119.08565	3.2
121.10141	6.8
131.08556	1.4
133.10092	1.4
135.11681	1.9
144.10205	1.0
145.10114	1.6
147.11592	1.1
149.13290	1.2
157.58345	1.1
173.13252	0.9
180.26852	0.9
241.29633	0.9
261.22128	1.3
291.19467	8.4
304.26367	1.8
310.78049	1.0
322.27289	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	322.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22250	0.5
53.03950	0.5
55.01844	0.7
55.05505	7.6
57.03410	2.1
57.07063	2.0
59.04972	1.0
61.02893	1.9
67.05468	0.6
69.03414	6.9
69.07039	1.1
71.04977	1.0
72.08122	2.8
73.02868	0.6
79.05473	5.0
81.03393	2.6
81.07026	7.2
83.04962	6.9
83.08596	10.7
85.02885	17.6
85.06525	46.6
87.04427	4.0
91.05480	2.0
92.08753	0.6
92.09198	1.2
95.08585	0.7
97.02866	3.6
97.06516	1.2
97.10141	12.0
99.04389	1.0
99.08065	12.4
105.07009	0.9
107.08572	20.0
109.02882	2.0
109.06499	2.0
120.08039	1.2
125.09599	100.0
127.03889	3.1
132.36621	0.5
143.10646	36.3
145.04951	1.0
158.05925	0.5
166.08745	0.7
229.10703	0.7
287.14883	1.1
288.19958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01859	0.6
55.05491	2.7
57.03424	1.5
61.02896	1.3
63.72109	0.5
67.05504	1.0
68.05009	6.3
69.03407	5.2
70.06569	2.8
79.05471	19.8
81.03378	0.9
81.07028	7.1
83.04957	9.1
83.08592	4.0
85.02880	13.8
85.06516	1.1
87.04401	0.8
87.71150	0.6
87.71693	0.6
91.05459	5.3
92.08741	2.1
92.09335	1.2
95.04900	0.7
97.02847	4.0
97.06498	0.8
97.10143	0.8
103.05425	3.2
105.07001	3.0
107.04897	0.8
107.08569	84.0
109.02852	0.7
109.06498	2.3
114.05500	12.9
119.05963	0.6
125.09597	100.0
127.03845	0.8
128.07054	1.1
131.04874	1.3
142.09554	0.6
143.10605	1.0
160.07541	4.8
174.07571	2.4
184.92166	0.6
234.44620	0.7
272.16379	0.6
308.48502	0.6
317.57602	0.7
322.12933	5.9
322.17441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22250	0.5
53.03950	0.5
55.01844	0.7
55.05505	7.6
57.03410	2.1
57.07063	2.0
59.04972	1.0
61.02893	1.9
67.05468	0.6
69.03414	6.9
69.07039	1.1
71.04977	1.0
72.08122	2.8
73.02868	0.6
79.05473	5.0
81.03393	2.6
81.07026	7.2
83.04962	6.9
83.08596	10.7
85.02885	17.6
85.06525	46.6
87.04427	4.0
91.05480	2.0
92.08753	0.6
92.09198	1.2
95.08585	0.7
97.02866	3.6
97.06516	1.2
97.10141	12.0
99.04389	1.0
99.08065	12.4
105.07009	0.9
107.08572	20.0
109.02882	2.0
109.06499	2.0
120.08039	1.2
125.09599	100.0
127.03889	3.1
132.36621	0.5
143.10646	36.3
145.04951	1.0
158.05925	0.5
166.08745	0.7
229.10703	0.7
287.14883	1.1
288.19958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01859	14.8
55.05500	12.7
56.58948	2.0
57.03419	15.1
64.78557	2.2
65.03946	2.9
67.05492	12.0
69.03423	17.8
69.07043	13.2
70.09354	2.2
79.05475	58.8
81.07037	86.2
83.04951	11.1
83.28667	2.2
85.02888	20.1
91.05457	26.1
93.07022	14.8
95.01313	24.5
95.04954	21.7
95.08617	4.4
97.06514	29.8
99.04397	2.5
99.52600	2.4
101.02372	2.8
105.07009	10.1
107.04945	5.4
107.08571	10.4
109.02834	3.4
109.06512	38.1
109.10153	3.7
111.04427	6.0
117.06998	10.3
119.04936	4.1
119.08554	18.2
121.02869	3.5
121.06476	11.2
121.10086	4.1
123.04417	3.8
123.08041	5.4
125.05927	4.8
126.66877	2.5
131.08586	4.6
135.08041	11.6
135.82298	2.8
137.05977	5.1
137.09564	3.4
139.03900	13.8
141.01817	5.6
145.06458	4.4
147.08073	18.0
149.05959	10.5
149.09497	2.5
151.07437	2.6
152.79170	2.4
155.07022	3.2
161.06001	2.9
162.32614	2.5
163.07507	13.0
165.09068	34.1
173.06049	4.1
175.07524	2.8
181.08589	11.0
183.10213	3.1
191.06935	3.5
192.08234	2.5
193.08586	22.7
197.04431	5.3
199.09534	19.1
209.08058	12.1
211.09608	13.0
227.09090	5.5
237.07526	4.0
255.08586	100.0
271.97641	2.5
273.09631	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	322.1284
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
50.99848	0.4
53.03927	0.9
55.01846	0.9
55.05488	0.5
57.03431	4.5
59.88290	0.4
61.02916	5.1
62.55398	0.4
69.03071	0.7
69.03416	14.0
69.07040	2.3
71.04959	0.9
73.02911	4.4
79.05457	3.0
81.03400	3.7
81.07026	1.1
83.04968	0.5
85.02419	0.9
85.02895	16.4
86.06042	0.5
87.04440	2.4
91.03918	0.6
97.02880	7.7
97.06513	8.2
99.04407	2.9
109.02876	1.6
115.05424	3.1
117.07018	0.9
118.06502	0.7
125.05984	8.7
127.03893	2.1
130.06494	4.8
132.08055	11.1
137.88010	0.6
142.03259	1.9
142.05367	1.1
142.06503	29.8
143.07129	17.9
144.08066	16.9
144.09151	0.8
145.06416	0.9
150.03096	0.6
155.06088	0.5
158.05971	4.9
159.06732	3.0
160.07550	100.0
168.08104	0.6
172.07603	0.8
201.74403	0.5
202.08649	0.5
287.43808	0.5
322.12802	73.2
343.91748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45221	0.1
58.78894	0.1
63.04073	0.1
63.10296	0.1
68.53184	0.1
76.88239	0.1
98.97548	0.3
101.00883	0.1
110.09653	0.2
116.98634	0.5
119.01906	1.6
120.01952	0.1
137.02924	0.7
138.12737	0.2
140.98802	0.2
158.99831	0.5
177.00916	15.0
178.01067	0.2
180.17444	0.6
182.99759	1.3
195.01923	0.5
200.02570	0.2
201.00854	3.4
207.02046	0.1
214.95918	0.1
219.01965	100.0
220.02084	1.3
221.02330	0.7
233.03564	0.3
234.99893	0.1
237.02995	0.3
238.95465	0.7
242.03572	2.4
256.96533	8.0
258.99765	0.2
261.02945	1.3
262.02936	0.2
274.97678	4.0
275.04358	1.2
276.04730	1.6
277.00732	0.3
279.98117	0.6
280.96463	0.2
298.18735	1.3
298.97607	16.8
299.18726	0.8
301.00974	0.2
314.95667	0.2
316.19638	0.5
321.99274	2.2
323.71756	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2421
Annotation	11S,12R-EpETrE
Peak:m/z	Relative Intensity
53.03928	9.8
55.01869	17.1
55.05504	63.5
56.70119	1.5
57.03414	10.5
57.07060	3.4
67.05143	2.1
67.05491	57.1
69.03409	2.8
69.07057	24.7
71.04984	2.6
79.05473	100.0
81.03407	11.7
81.06597	3.0
81.07039	64.8
83.04962	25.7
83.08598	19.7
85.06516	2.0
91.05460	55.6
92.08834	3.4
93.07022	60.4
95.01305	1.8
95.04939	14.5
95.08582	29.8
97.06512	12.9
97.10142	24.1
100.18002	1.6
103.05444	2.1
105.06361	3.0
105.07012	59.3
106.31667	1.6
107.04932	45.2
107.08568	54.8
109.06512	11.1
109.10139	15.6
111.08042	6.5
111.09718	1.5
117.06998	17.6
117.61452	1.8
119.08556	34.1
121.06433	2.3
121.10117	16.7
123.08057	16.3
123.11713	2.5
125.09612	18.5
129.06989	3.3
131.08540	17.7
133.10109	25.8
135.08044	12.4
135.11664	3.3
143.08569	2.0
145.10107	11.0
147.11641	13.6
148.90904	1.5
149.09612	31.8
149.13196	3.4
153.09201	1.7
157.10143	2.3
159.11699	12.5
163.11157	3.3
169.12163	2.1
171.11630	2.8
173.11758	2.6
173.13210	2.4
177.12721	2.6
179.14287	3.7
192.52782	1.6
209.15376	2.8
217.14256	12.0
219.17342	12.0
229.19443	2.0
239.08867	2.8
247.72522	1.6
257.18887	8.0
265.17984	2.0
275.20038	45.6
321.24442	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	321.2421
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
53.00270	0.7
53.03943	0.8
55.01843	3.3
55.05264	1.0
55.05502	17.7
57.03426	12.3
57.07056	7.0
67.05488	14.0
69.07053	11.4
71.04955	1.6
71.08603	1.3
72.01688	0.9
73.06493	1.1
79.05478	11.2
81.07034	18.4
83.04964	9.9
83.08590	4.4
85.06522	5.1
87.91693	0.8
90.81518	0.8
91.05453	10.4
92.08625	1.7
92.09219	3.2
93.07026	14.0
95.04931	2.0
95.08580	18.2
97.06511	1.3
97.10142	4.1
105.07007	7.7
107.04939	6.1
107.08566	11.0
109.06500	30.5
109.10136	6.0
111.04428	4.7
111.08038	3.5
117.07005	1.4
119.08549	5.8
121.06499	1.1
121.10091	6.5
122.07280	1.6
123.08038	100.0
123.11675	1.6
129.06976	0.9
131.08521	5.1
133.06464	1.6
133.10136	4.3
135.08026	13.1
135.11679	1.4
137.09593	4.7
139.11198	1.1
145.10077	3.6
147.08055	1.0
147.11678	1.5
149.02342	1.2
149.09601	1.3
157.10109	1.0
159.11674	3.8
163.11055	1.1
173.13184	0.9
177.12709	1.3
179.14268	82.7
187.14764	1.2
189.00218	0.8
193.15855	1.5
205.15865	1.3
215.14214	1.1
224.85605	1.0
233.15276	1.5
261.18442	1.8
265.17947	20.1
285.22070	0.9
289.17838	5.4
303.23151	3.6
321.24179	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01873	14.3
55.05511	34.0
57.03431	100.0
57.07051	3.0
67.05495	48.1
69.03405	2.1
69.07046	13.4
71.04991	3.5
79.05469	40.9
81.03380	2.7
81.07044	37.0
83.04968	73.5
83.08600	4.9
84.62294	1.9
85.06499	7.7
91.05460	55.2
92.08836	15.5
93.07027	38.6
95.04973	13.8
95.08586	31.8
97.06506	2.5
99.04441	4.5
105.07015	28.7
107.04946	64.5
107.08549	19.8
108.05679	2.5
109.06506	35.2
109.10101	4.8
111.04443	33.1
111.08065	2.6
113.06013	2.7
115.05428	3.4
117.07006	21.6
119.08553	23.2
121.06497	14.4
121.10125	8.8
123.04427	3.2
123.08046	40.0
125.06007	4.0
125.09624	2.3
128.06198	2.9
129.06975	11.7
131.08527	24.3
133.06445	11.9
133.10078	10.9
135.08009	22.0
135.11690	3.4
137.05954	2.7
141.06937	2.1
143.08511	4.2
145.06473	10.7
145.10077	14.2
147.08055	8.3
147.11694	2.5
149.05936	9.9
149.09602	4.8
155.08527	7.8
157.10126	4.8
159.08076	14.1
159.11626	8.0
161.09601	8.6
161.13249	2.5
163.07504	4.6
163.11176	8.6
165.12807	2.1
169.10074	3.8
171.11624	4.4
173.09610	4.8
173.13162	3.7
175.92967	2.0
177.12746	11.3
179.14264	42.3
187.14886	3.5
197.09570	3.5
205.15868	9.4
215.14299	4.7
217.12263	2.3
233.15288	22.0
243.17311	4.5
253.15790	2.9
261.18414	18.3
265.18008	2.7
271.16797	16.0
289.17957	63.2
303.19531	2.5
316.45392	2.2
321.24203	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
58.84455	0.3
60.04527	0.4
62.62823	0.3
62.86443	0.3
67.05505	0.7
67.16871	0.3
69.03419	0.6
69.07044	0.8
71.04964	0.5
78.77590	0.3
79.05474	0.9
81.07039	2.9
83.04983	0.5
86.09690	100.0
91.05446	1.3
93.07039	2.6
95.04934	0.8
95.08601	0.8
98.97573	1.4
103.05434	3.5
105.06995	1.6
107.04940	1.8
107.08579	1.5
109.10155	0.7
116.98625	0.5
119.08573	1.6
120.08081	87.8
121.06483	0.4
121.10132	0.7
128.10690	28.6
128.98604	0.6
131.04890	2.7
133.10057	0.5
135.91292	0.3
145.10060	0.4
147.11636	0.6
149.05963	1.5
156.10176	6.8
161.13260	0.4
166.08601	26.4
167.31018	0.3
219.01805	1.5
221.02574	0.4
232.65018	0.4
237.02776	2.6
279.03745	0.7
321.23993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	3.1
56.96543	3.0
62.83263	2.8
67.05480	10.8
69.07034	5.6
79.05447	6.6
81.07028	17.4
83.04961	4.3
91.01656	2.7
91.05449	5.8
92.08839	15.8
93.07014	17.7
95.08579	12.4
98.97545	4.4
105.03349	4.0
105.07024	12.3
107.08577	14.3
109.10151	5.3
119.08582	11.3
121.10111	5.7
125.38921	2.9
147.11530	3.0
151.07486	3.6
159.11699	5.0
237.02756	11.1
321.16666	100.0
321.20239	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	321.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51905	0.2
53.03940	0.3
55.05489	0.7
60.94416	0.3
64.75026	0.3
65.03940	0.3
67.05492	11.9
69.03410	0.6
69.07043	0.7
71.04974	0.8
79.05447	0.7
81.03414	0.8
81.07036	7.7
84.08140	0.5
85.02910	1.9
85.06534	0.8
91.05463	1.6
92.09135	0.5
93.07021	1.9
94.06540	10.1
95.04964	0.6
95.08578	1.6
105.03380	0.8
107.08569	0.4
108.08070	0.4
110.07144	0.6
119.08562	0.5
122.05109	0.8
122.06006	24.9
123.11695	2.4
126.05449	0.7
130.06482	0.8
133.10156	0.5
136.07552	80.6
140.07019	2.3
141.12688	0.5
144.08041	0.4
146.05959	0.9
164.07031	100.0
170.24008	0.3
177.05435	0.4
178.43900	0.4
182.08084	34.8
188.07072	0.5
192.30742	0.4
206.33281	0.4
219.21986	0.4
235.33791	0.4
274.89645	0.4
304.66895	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51905	0.2
53.03940	0.3
55.05489	0.7
60.94416	0.3
64.75026	0.3
65.03940	0.3
67.05492	11.9
69.03410	0.6
69.07043	0.7
71.04974	0.8
79.05447	0.7
81.03414	0.8
81.07036	7.7
84.08140	0.5
85.02910	1.9
85.06534	0.8
91.05463	1.6
92.09135	0.5
93.07021	1.9
94.06540	10.1
95.04964	0.6
95.08578	1.6
105.03380	0.8
107.08569	0.4
108.08070	0.4
110.07144	0.6
119.08562	0.5
122.05109	0.8
122.06006	24.9
123.11695	2.4
126.05449	0.7
130.06482	0.8
133.10156	0.5
136.07552	80.6
140.07019	2.3
141.12688	0.5
144.08041	0.4
146.05959	0.9
164.07031	100.0
170.24008	0.3
177.05435	0.4
178.43900	0.4
182.08084	34.8
188.07072	0.5
192.30742	0.4
206.33281	0.4
219.21986	0.4
235.33791	0.4
274.89645	0.4
304.66895	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.6
55.01854	1.8
55.05494	3.0
56.96555	5.9
58.35228	1.3
62.06055	8.9
67.05492	59.1
69.03413	14.2
69.07046	7.0
70.14525	1.4
71.04608	2.6
71.04975	48.3
75.75877	1.4
79.05476	8.7
81.03405	1.8
81.07047	15.0
85.06510	6.6
91.05463	34.9
92.08995	11.9
93.07018	32.6
95.04946	6.4
95.08581	76.9
105.07007	7.7
107.08579	5.8
109.06513	2.0
109.10135	76.1
117.07009	1.8
119.08554	57.6
133.10114	12.0
137.09590	100.0
143.08485	2.1
147.07994	2.4
151.11180	2.4
155.10612	2.6
161.09583	6.7
169.12212	28.2
187.13284	20.0
201.14821	59.1
212.15015	1.7
220.02573	1.7
233.10606	6.4
251.11626	10.2
320.25861	3.1
322.58759	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98867	0.8
56.96568	1.0
57.39671	1.0
58.99846	1.3
60.04528	1.1
61.02934	1.7
62.02469	1.1
62.43155	1.1
62.91980	0.9
70.99840	1.2
77.00906	1.2
82.99830	1.5
85.02888	1.4
92.08807	1.1
97.02861	1.5
101.00858	37.0
113.00950	0.9
118.87275	1.2
119.01897	100.0
125.51528	1.0
126.77567	1.4
127.02463	7.7
131.01900	9.9
133.03438	2.2
133.74677	1.2
137.02922	16.0
141.06575	2.4
143.01888	29.4
145.03439	58.5
147.62175	1.2
149.02899	1.9
155.01854	4.2
157.03433	2.3
161.02927	78.6
163.04543	8.6
171.01331	16.2
173.02977	11.6
177.00896	4.8
185.02954	1.2
186.98105	1.2
189.02409	70.4
189.04118	2.4
191.03888	8.1
201.02460	11.6
202.28333	1.1
203.02458	1.9
207.03583	2.4
213.02437	4.1
214.96507	5.0
215.03867	1.2
219.03630	8.7
221.01743	2.4
221.05084	8.3
233.05002	17.1
237.93457	1.6
246.44150	1.5
251.00488	1.4
251.03206	1.3
256.97562	25.1
261.04526	21.8
261.96667	1.1
272.93646	1.1
279.05463	9.9
288.42596	1.1
298.98590	9.6
303.05588	1.2
321.06558	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	320.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19204	0.5
53.03935	1.1
55.01854	0.8
57.03408	3.4
58.26488	0.5
60.04493	0.9
61.02609	0.6
61.02888	4.7
69.03407	10.1
69.07050	13.6
70.06570	36.7
73.02875	0.9
79.82129	0.6
81.03395	12.3
85.02884	32.3
86.09673	1.5
92.09148	1.2
95.04950	1.0
97.02861	7.3
98.97537	1.1
99.04417	1.3
109.02854	100.0
112.07588	19.1
116.07072	1.1
119.97388	0.6
123.04393	37.1
127.03895	5.6
140.07024	16.2
141.05435	49.5
145.04915	3.7
158.08072	9.4
180.08537	1.2
199.65381	0.6
302.12302	1.3
321.08252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22024	0.3
53.03936	2.4
54.81886	0.4
55.01862	2.3
55.05492	1.9
57.03424	6.7
60.33334	0.4
61.02912	5.9
67.05489	7.8
69.03066	0.7
69.03415	13.2
69.07040	2.6
70.06580	0.6
71.01353	0.4
71.04967	1.7
73.02892	2.6
79.05478	5.6
79.17939	0.4
81.03396	8.1
81.07032	7.5
82.02904	0.5
83.04976	0.5
84.08122	0.8
85.02889	71.3
85.06528	0.5
86.02419	0.5
91.05463	0.6
92.38133	0.4
93.05742	0.9
93.07005	1.8
94.06528	0.8
95.04928	4.3
96.04482	1.0
97.02869	39.9
97.06489	3.4
98.06004	0.6
98.09663	0.9
99.04430	2.9
103.03915	5.9
106.06543	0.5
107.07324	0.8
108.08101	17.7
109.02861	11.9
109.06512	2.6
110.06026	2.3
112.07587	0.9
118.06510	0.7
121.05209	0.4
121.10145	0.9
122.05994	6.6
122.09614	1.7
124.07629	0.5
125.05965	8.4
126.05489	8.5
126.09103	6.3
127.03889	15.0
136.06480	0.9
136.07553	29.3
139.11150	2.3
140.07039	38.9
145.04935	10.5
150.09117	7.1
152.07045	23.5
152.08276	0.8
153.05463	0.5
153.07814	0.8
154.08595	10.1
157.08585	0.4
157.12209	0.7
163.05978	5.0
164.07028	34.2
168.13237	0.4
171.63914	0.4
174.09229	0.4
178.08591	24.2
182.08090	100.0
192.10194	0.4
202.08592	0.5
206.08095	41.3
216.16597	0.5
218.08095	5.4
220.09642	0.6
236.09145	3.8
248.09117	9.8
266.10178	2.1
284.11249	2.0
301.11795	0.6
302.12381	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	320.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25679	0.3
53.03923	0.5
54.85331	0.3
57.03416	0.7
60.04522	0.9
64.33533	0.4
67.05491	2.6
68.92352	0.4
69.03414	3.0
69.07056	6.1
70.06576	100.0
71.05014	0.4
72.08140	0.5
77.41389	0.3
81.03396	2.9
81.07008	0.4
85.02886	5.7
86.09702	1.9
92.08950	0.6
95.04950	6.6
97.02881	3.5
99.04417	0.6
109.02861	3.7
112.07584	70.1
113.05980	1.6
113.07896	0.4
116.07063	9.6
116.07829	0.5
123.04441	2.3
127.03915	2.2
140.07042	16.6
141.05429	5.4
146.92834	0.3
147.57846	0.4
151.26305	0.4
158.02701	0.7
158.08096	28.3
158.11723	0.7
173.12872	0.8
200.09140	1.6
211.06027	0.6
266.10080	1.4
284.11093	2.6
302.12341	2.9
320.13806	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	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62374	0.2
53.03946	0.4
53.51660	0.2
55.01868	0.2
55.05511	0.3
56.96552	1.9
57.03421	0.3
61.02888	0.3
65.03922	2.0
67.05476	0.6
69.03421	0.4
69.07021	0.2
81.03400	0.4
85.02890	2.3
91.05458	33.9
92.09074	0.9
93.07018	12.2
95.04940	1.4
97.02883	1.1
97.06495	0.4
105.03374	1.1
106.04162	2.0
107.04937	2.5
109.06499	14.1
119.06058	5.7
120.22164	0.3
121.06480	100.0
124.05189	1.2
125.42190	0.3
127.11368	0.3
146.99680	0.4
164.07837	0.3
166.33229	0.3
179.00067	0.3
197.01189	4.0
197.77585	0.2
202.53087	0.3
206.24527	0.3
211.48015	0.3
215.02258	3.9
216.04419	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3
Annotation	4-Hydroxysphinganine
Peak:m/z	Relative Intensity
52.51572	0.6
55.05492	1.7
56.05024	21.7
57.07074	14.4
58.06593	7.4
60.04521	9.8
69.07053	1.0
71.08609	6.7
74.06061	16.9
75.62777	0.8
81.07047	1.3
85.10180	3.3
86.06055	1.3
88.07610	75.7
91.05459	56.0
92.05742	1.0
93.07056	0.9
95.08563	1.7
100.02479	1.7
100.46226	0.8
104.02295	0.8
107.08491	1.0
111.45550	0.8
118.08618	9.6
119.78075	0.9
122.08108	6.8
189.07417	1.1
194.90489	0.9
197.67064	0.7
256.26312	1.1
270.27853	62.6
282.27902	1.4
300.28854	4.2
318.29953	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	319.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47218	3.2
59.20207	4.1
71.54789	3.8
71.85989	3.6
73.82855	3.5
86.55078	4.3
92.09034	8.1
118.81154	4.1
135.30733	4.9
136.06105	9.0
157.35513	4.4
223.06438	7.8
319.07425	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	319.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81825	0.8
56.96563	1.0
57.03416	1.0
60.04507	1.1
61.02912	1.1
61.39999	0.8
68.97243	0.7
69.03427	1.1
69.88887	0.8
72.08145	1.2
73.02862	1.0
83.06079	1.1
84.08128	2.1
85.02882	3.5
91.63831	0.8
92.09097	1.0
97.02859	1.5
98.97599	1.1
101.00845	3.7
101.06031	1.1
110.07154	5.1
115.02393	1.7
115.82411	0.8
119.01903	7.5
131.00179	0.9
131.01920	3.3
133.03452	10.5
136.06229	1.8
138.05498	1.1
139.05888	1.4
143.01836	1.1
145.03406	1.1
149.02913	1.9
151.04527	1.2
155.01950	1.3
157.03485	1.9
157.04681	1.1
157.09729	1.8
159.05000	1.3
161.02934	3.4
169.03383	1.1
173.02924	1.6
173.15034	0.8
175.04520	4.0
187.04520	3.7
211.04564	1.6
221.05046	1.8
245.06508	2.6
259.06598	10.5
277.07657	1.6
301.08923	12.9
319.09976	100.0
342.48306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57213	0.7
53.03924	3.9
55.01860	1.9
55.88588	0.7
57.03432	7.6
61.02912	13.0
69.03068	1.3
69.03410	22.6
70.06575	6.8
71.04955	1.5
72.08173	0.7
73.02910	5.7
81.03400	9.4
85.02887	100.0
87.04440	1.9
91.03918	3.9
91.05454	8.0
92.08779	1.5
92.09275	1.7
93.07021	31.1
95.04918	6.0
95.30566	0.8
97.02867	22.8
99.04422	4.8
103.05437	1.8
105.03349	1.4
105.07014	3.9
109.02871	10.7
109.50871	0.8
112.07573	1.3
114.01545	0.7
121.02821	1.1
121.06479	96.6
127.03872	16.3
129.06984	0.9
130.06471	1.1
138.09138	1.5
139.07492	1.6
140.07022	3.2
140.13647	0.9
145.04921	17.5
145.06314	2.7
150.34247	0.7
151.07520	1.3
154.08647	0.7
156.10263	2.8
159.08040	3.8
163.05966	5.3
169.06396	1.1
175.07431	0.9
180.08641	1.3
187.07516	9.2
189.80034	0.8
205.08543	7.2
229.08562	3.0
238.32794	0.8
247.09586	4.9
250.32204	0.9
265.10596	1.5
302.12497	0.9
305.43158	1.0
318.12408	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80030	0.8
53.03927	5.1
53.94281	0.8
56.67030	0.8
57.03422	4.5
61.02909	6.3
62.04903	0.9
67.23236	0.9
69.03413	11.2
70.06574	5.1
72.08144	1.2
73.02900	2.2
81.03399	5.7
83.75245	0.9
85.02888	49.8
87.04391	0.9
91.03943	1.4
91.05460	14.1
92.08855	4.9
93.07024	68.7
95.04948	4.2
97.02872	15.0
103.05439	1.5
105.07005	7.6
109.02867	4.7
121.06483	100.0
127.03911	9.7
130.06516	1.6
138.09085	2.4
139.07529	8.1
145.04930	9.1
156.10168	5.5
158.05988	1.3
187.07503	6.1
205.08633	1.6
247.09561	1.9
250.81723	1.1
265.10669	1.3
317.11957	1.6
318.12402	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	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91265	1.0
53.03931	2.6
55.01871	4.3
57.03431	7.2
61.02930	12.2
69.03417	24.5
71.04996	2.7
73.02904	5.1
81.03414	9.8
81.80222	1.2
85.02898	100.0
87.04446	2.0
91.03963	5.6
91.05534	1.4
92.08855	1.9
93.07023	5.0
95.04953	22.8
96.46252	1.3
97.02876	29.2
99.04440	4.6
103.05467	1.5
105.03396	2.5
106.67512	1.1
109.02860	11.0
121.02866	12.0
121.06487	58.9
126.51176	1.2
127.03907	16.0
138.05490	2.5
138.09128	1.9
139.03905	42.9
145.04958	18.7
156.10184	5.0
163.05986	1.4
180.08661	12.2
187.07483	6.0
205.08611	6.2
222.48209	1.1
247.09639	1.8
265.10922	1.9
318.15466	2.7
331.16226	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.7
56.96564	1.3
57.03427	100.0
59.04976	1.1
61.02913	16.2
67.05484	16.6
67.69865	1.0
69.07047	6.6
71.04971	1.3
75.04450	1.9
79.05476	6.9
81.07031	15.9
83.08610	4.5
84.44492	1.0
84.96027	1.5
85.02843	1.3
85.06545	2.3
87.57742	1.0
91.05455	6.1
92.08837	4.0
93.07003	7.5
95.04936	2.0
95.08580	22.8
97.10156	2.1
98.97575	4.0
99.95521	1.0
103.05463	1.5
105.03371	4.3
105.07031	7.2
106.03730	1.2
107.08566	7.8
109.06511	2.4
109.10118	9.2
116.98547	1.2
117.05465	96.0
119.08556	6.8
120.47066	1.0
121.06489	1.6
121.10122	4.0
123.07993	1.5
123.11705	1.5
131.08534	4.8
133.10117	9.7
134.10413	1.3
143.08488	1.4
145.10121	2.3
163.07538	2.5
165.40082	1.1
171.11630	1.7
173.13350	2.1
185.40996	1.1
207.17470	1.0
211.02742	5.6
212.03140	1.8
229.03844	2.2
299.21988	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
55.01857	2.3
56.15058	0.5
57.03429	7.8
61.02913	12.1
69.03416	26.0
70.06575	3.3
71.01332	0.8
71.04967	2.8
73.02902	6.0
79.05466	6.4
81.03400	9.9
84.08147	0.7
85.02890	100.0
85.25293	0.5
85.47495	0.5
86.09696	0.7
87.04452	3.3
91.03925	3.8
91.05464	4.5
91.48195	0.5
92.08877	1.2
92.09380	0.6
93.07016	2.4
95.04944	2.5
97.02874	21.4
99.04432	4.5
101.02348	0.7
103.05446	29.3
105.03374	25.4
109.02866	8.5
115.03909	1.0
115.08681	1.2
117.06936	0.6
120.08091	2.7
121.06480	21.2
127.03891	21.6
127.04810	1.0
129.05508	0.8
129.10188	0.5
129.65028	0.5
133.04926	1.2
138.09164	0.7
145.04935	23.9
156.10199	2.3
163.06041	7.1
198.72617	0.5
199.88652	0.5
231.14389	0.6
247.09737	0.7
265.10678	4.9
283.08142	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	317.1018
Annotation	2',4'-dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone
Peak:m/z	Relative Intensity
53.03923	0.4
55.05503	0.4
59.12034	0.3
67.01851	5.7
67.05468	1.7
68.99773	0.7
69.07037	0.5
69.82224	0.3
71.04983	0.5
78.04637	0.3
79.05468	0.9
79.53590	0.3
81.03393	5.4
81.07024	1.9
83.04948	0.6
83.08596	0.7
85.06519	0.3
86.03682	0.3
86.09621	0.4
89.03896	9.2
91.05454	2.5
92.08636	0.8
92.09223	1.4
93.03383	0.9
93.07002	1.6
95.04933	2.8
95.08555	1.4
95.13714	0.4
97.06513	0.5
99.04422	0.6
103.05441	0.8
105.03378	0.7
105.07014	1.9
106.04174	0.5
107.04914	0.5
107.08546	0.9
109.10161	0.6
111.04446	4.5
117.02527	0.5
117.03355	12.3
119.08538	0.8
121.06457	1.2
121.10086	0.6
123.04379	0.5
125.02359	2.7
125.05985	0.8
129.07030	0.6
131.04817	0.4
131.08553	0.5
133.10095	1.6
134.03615	3.2
135.04379	8.0
137.05960	4.5
139.03857	0.4
145.02829	7.5
147.11688	0.6
149.05945	11.0
153.05434	0.6
157.10042	0.8
159.11699	0.6
162.03073	0.4
163.03862	14.7
165.05475	1.6
167.03362	100.0
175.11151	0.4
177.05429	61.3
185.04431	4.4
193.04927	6.5
193.12233	2.5
201.05394	2.1
219.06537	0.7
226.59853	0.3
267.15759	0.7
269.24796	0.4
299.09097	0.8
301.07156	0.4
317.10126	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1017
Annotation	2',4'-dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone
Peak:m/z	Relative Intensity
55.05510	0.9
59.37328	0.4
64.10001	0.4
65.03924	0.5
67.01855	6.3
67.05489	0.7
68.99789	1.0
69.03425	0.7
69.07088	0.4
74.28224	0.4
79.05487	1.8
81.07049	1.9
83.04958	0.5
87.99747	0.4
89.03903	10.8
91.05491	2.5
92.09070	3.3
93.03387	0.6
93.07036	1.8
95.04951	1.1
95.08585	1.1
103.05459	1.0
105.03371	1.9
105.07030	2.8
107.08590	1.1
108.67774	0.4
109.06517	0.7
109.10201	0.8
111.04428	6.0
117.03358	9.8
117.17020	0.4
119.08565	0.9
121.06477	1.8
121.10123	0.6
122.03584	0.7
123.04432	0.5
125.02331	2.4
125.05987	1.8
130.02086	0.4
133.10112	0.9
134.03635	2.7
135.04402	8.8
136.05252	0.5
137.05960	8.1
139.03912	0.7
143.08527	0.5
145.02812	6.7
145.10136	0.6
149.05957	11.8
149.09497	0.5
153.42787	0.4
161.09595	0.7
162.03041	0.5
163.03889	13.7
165.05424	0.9
167.03368	100.0
177.05438	54.5
180.04137	0.6
181.07602	0.5
185.04422	6.8
193.04936	5.2
197.10703	0.8
201.05457	1.7
210.07794	0.9
224.09464	0.6
225.10175	5.5
253.09673	2.0
261.04868	0.5
271.10632	2.7
299.10278	11.2
301.06937	0.7
317.10162	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	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03933	0.6
53.17617	0.3
55.05502	6.9
56.05033	5.0
56.96558	0.7
57.03424	1.4
57.07061	2.5
58.02945	0.3
60.04513	100.0
61.02002	0.3
65.03935	0.4
67.05489	9.5
68.05010	0.3
69.07059	7.5
70.06570	2.2
71.04972	0.4
71.08613	0.6
72.04493	2.2
72.38094	0.3
74.06060	2.3
79.05473	5.9
80.05001	0.5
81.07040	10.3
82.06572	1.6
83.04967	0.4
83.08601	3.8
87.04452	5.1
88.07610	0.6
90.08183	0.3
91.05445	3.6
92.08801	0.7
93.07014	4.5
94.06519	1.2
95.04929	0.6
95.08585	9.0
96.08096	0.5
97.06522	0.4
97.10138	1.9
98.97567	1.3
100.07585	0.6
100.66107	0.3
102.09122	0.4
105.07026	1.5
107.08550	2.3
108.08113	0.5
109.10126	3.3
112.07589	0.5
114.36708	0.4
116.98598	1.6
119.08554	1.5
121.10114	1.6
123.11690	0.8
124.48334	0.4
133.10071	1.2
134.99635	1.4
135.11676	0.6
250.25198	0.8
256.26419	2.3
262.25201	1.6
268.26453	0.4
274.97348	0.5
280.26251	8.4
298.27347	9.8
316.28406	38.4
334.21988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.5
56.05024	4.6
57.03419	1.4
57.07051	2.9
58.02940	1.0
58.70041	0.6
60.04516	100.0
61.72862	0.6
63.64990	0.6
64.89404	0.7
67.05496	12.0
69.07052	6.7
70.06574	1.4
72.04482	1.4
74.06060	2.4
75.15640	0.6
79.05490	5.6
80.04993	0.8
80.50043	0.6
81.07045	8.2
82.06569	2.5
83.04940	0.6
83.08585	3.7
85.85304	0.7
86.06059	0.7
87.04447	1.4
90.05571	0.7
91.05459	4.9
93.07043	6.3
94.06529	0.7
95.08581	10.0
96.08113	1.2
97.06499	0.7
97.10129	1.4
98.97545	1.3
105.07018	2.5
107.08592	2.5
109.10140	2.6
116.07999	0.7
116.98581	0.8
119.08557	1.2
121.10141	1.0
123.11682	0.9
130.15460	0.7
135.11745	0.7
148.49275	0.6
201.85214	0.6
245.57803	0.9
250.25261	1.0
262.25363	1.0
280.26343	8.6
293.68231	1.1
298.27377	8.0
316.28403	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	14.0
55.01862	22.9
55.05502	48.9
57.03427	38.7
57.07070	4.8
59.04980	17.0
60.02586	3.7
61.02907	17.4
67.05483	27.9
69.03417	45.9
69.07050	23.8
70.06569	3.4
71.01337	5.6
71.04974	49.8
73.02908	24.4
79.05465	37.6
81.03407	15.1
81.07040	48.4
83.05012	3.1
83.08589	5.2
85.02891	82.6
87.04465	4.6
90.79317	3.9
91.05446	57.4
93.07015	100.0
95.04955	24.8
95.08582	28.7
97.02881	27.8
97.06468	6.6
103.03942	5.8
105.03345	6.3
105.07005	59.0
107.04901	6.2
107.08578	85.8
109.02869	3.5
109.06493	44.4
109.10133	34.9
111.08023	4.5
111.45242	3.8
115.03926	6.9
117.06978	18.0
119.08547	52.6
121.06454	13.0
121.10134	5.3
123.08061	13.6
123.11691	5.0
124.03944	7.9
125.04231	3.6
127.03913	7.7
129.06972	7.8
129.53459	3.7
130.07765	4.2
131.08528	30.5
133.04959	7.2
133.06447	4.7
133.10136	5.2
135.08037	14.6
135.11652	24.8
137.09518	6.0
137.13208	4.6
143.08514	14.9
145.06473	3.7
145.10129	19.1
147.08063	21.9
147.11699	6.4
149.09569	15.4
151.11234	7.6
153.12746	17.8
154.08600	15.0
157.06503	3.7
157.10059	4.0
159.08046	6.9
159.11674	6.3
161.09579	4.1
163.11108	8.4
165.12708	43.7
171.07925	4.4
173.09644	8.1
177.12784	22.9
189.12735	14.4
207.13776	5.5
219.13681	4.4
237.01935	4.1
261.14917	7.2
279.15891	7.2
297.16614	4.7
315.17944	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	315.2527
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
50.84781	0.9
51.05169	0.9
51.24123	0.9
53.03923	1.2
55.05265	1.7
55.05507	26.6
56.96550	2.3
57.03424	2.3
67.05495	87.0
69.07056	30.6
69.07410	2.1
71.04964	6.9
79.05475	23.4
81.07038	100.0
82.07348	1.2
83.04971	4.2
83.08600	13.6
85.06519	7.4
91.05460	34.1
92.08726	1.3
92.09200	2.1
93.07018	29.6
95.04945	1.4
95.08585	76.4
97.06519	7.2
97.10137	6.8
98.97570	4.8
101.05978	1.5
105.07011	11.5
107.08576	19.6
109.10137	33.6
111.08041	1.6
116.98580	2.3
117.06995	1.9
119.08553	10.3
121.10126	16.2
123.08014	1.6
123.11676	14.2
125.09583	1.3
131.08557	7.1
133.10123	7.9
134.99664	2.4
135.11685	14.2
137.13278	2.3
139.11121	1.7
145.10095	5.7
147.11667	5.9
149.13243	1.9
151.14819	1.4
155.10458	1.3
159.11606	1.8
161.13225	5.6
165.12643	2.1
173.11722	4.8
173.13153	2.3
179.14363	1.6
187.14696	1.5
197.01254	2.0
215.02245	4.4
243.21051	4.3
261.22021	12.4
279.23117	32.8
292.98447	1.2
297.24191	7.2
315.07605	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
55.01857	11.5
55.05493	20.9
57.03429	21.8
59.04983	3.2
61.02911	4.5
61.66778	2.5
62.28552	2.7
63.90099	2.2
67.05489	17.0
69.03407	25.8
69.07043	16.2
70.06585	2.7
71.01348	3.3
71.04974	27.2
73.02895	6.6
79.05467	16.9
81.03374	3.6
81.07041	29.8
83.04958	4.2
85.02885	31.4
91.05457	35.5
92.09017	13.0
92.63750	3.2
93.07019	41.5
95.04948	17.8
95.08552	22.7
97.02863	15.3
97.06484	3.0
99.04410	3.9
105.03352	3.0
105.07010	34.3
107.04906	5.1
107.08558	40.6
107.50235	2.8
109.06509	20.8
109.10112	6.9
117.06976	12.5
119.08534	25.8
121.06481	4.6
121.10076	3.7
123.08045	13.8
125.09605	3.6
129.06938	5.5
131.08536	14.3
133.04988	3.2
133.10043	3.4
135.04399	100.0
135.07979	5.6
135.11685	13.6
143.08521	5.1
145.10101	17.8
147.08006	13.4
147.11607	10.2
149.09601	4.7
151.11171	4.9
153.05435	17.3
153.12697	11.3
161.09583	3.4
163.11037	3.5
165.12720	25.5
173.09604	4.0
177.12756	3.6
191.10680	3.3
219.13779	4.2
261.14651	5.3
279.15967	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	314.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.5
55.05508	0.4
56.96540	0.5
57.07069	13.6
58.06577	1.6
59.92013	0.3
62.06075	5.1
65.69755	0.3
67.05503	0.6
69.07043	0.8
71.08611	6.0
72.08134	1.8
79.05494	0.4
81.07014	0.5
82.23418	0.3
85.10168	1.7
86.10484	0.3
92.08677	0.5
92.09184	0.7
95.08601	0.3
98.97530	0.7
116.98588	0.6
117.28738	0.4
123.25681	0.3
134.99663	0.4
137.84158	0.3
137.85176	0.3
156.17503	2.4
170.18932	0.4
174.18512	7.5
184.20546	2.5
188.06442	0.3
197.85751	0.3
202.21620	5.4
222.82898	0.3
280.82208	0.3
296.29489	1.7
296.33145	1.2
314.34109	100.0
315.07339	0.6
315.34412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1047
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
53.03935	1.1
55.05490	1.6
56.96536	0.9
57.03424	5.1
58.03762	1.3
59.05000	5.2
60.05310	0.8
61.02894	3.7
67.43088	0.6
69.03415	7.4
69.07047	1.2
70.06587	4.7
71.04958	3.6
72.08150	0.8
73.02885	2.6
73.06517	0.7
75.04461	25.3
76.04774	3.9
79.05463	1.2
79.12598	0.6
81.03374	1.4
81.07053	5.7
83.04955	1.5
84.08121	2.8
85.02895	13.1
86.03214	0.9
86.09691	1.3
87.49390	0.6
91.03889	0.6
92.08917	0.7
95.04951	1.4
95.38210	0.7
97.02856	3.4
97.06506	0.8
98.03165	0.9
98.97535	2.8
99.04480	0.8
99.08070	13.2
100.05736	0.6
100.08398	3.2
105.03371	8.0
107.04912	1.0
115.03892	0.8
116.07124	0.9
117.05485	0.6
117.09122	6.7
118.09463	0.9
122.07076	0.7
127.03914	1.3
129.05455	0.7
135.06505	5.6
135.10109	2.6
136.06808	1.2
145.04987	0.8
152.10687	1.6
153.05269	1.1
168.05501	0.6
176.08385	0.7
189.06401	0.7
240.01479	0.7
301.57413	0.6
315.10431	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	314.1231
Annotation	N-methylanthraniloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.53583	0.2
57.03426	0.3
59.04984	8.0
61.02913	1.0
69.03397	1.7
73.02888	0.2
79.05474	8.1
81.03383	0.5
85.02891	4.5
92.09138	0.5
92.25429	0.2
97.02844	0.5
106.06532	100.0
111.76408	0.3
117.09074	0.5
134.05988	71.5
135.04404	0.3
135.10123	1.6
152.05867	0.5
152.07037	10.7
257.50809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01862	1.2
57.03428	14.0
59.04994	4.5
61.02916	4.9
63.77757	0.5
68.03580	0.4
69.03413	7.7
69.55347	0.4
71.01336	6.7
71.04981	10.5
73.02897	22.4
74.00508	0.4
75.04453	6.2
81.03388	3.1
85.02888	27.0
85.19905	0.4
86.09672	0.5
87.04462	2.1
89.06008	2.3
91.03941	2.2
92.09013	1.2
97.02876	7.8
99.04434	27.5
109.02874	2.7
117.05467	100.0
127.03860	4.0
132.10222	0.6
145.04945	7.2
163.05995	1.8
261.09518	0.6
279.10547	1.1
283.09824	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	16.8
54.82213	2.0
54.85920	2.4
55.01870	2.8
55.05513	29.2
59.31867	2.2
65.03928	3.7
67.05495	63.9
69.07054	17.8
71.04958	4.4
75.46826	2.0
78.42485	2.3
79.05476	58.0
81.03400	3.3
81.07037	100.0
83.04959	14.8
85.02879	19.8
85.06547	4.6
87.04441	4.1
91.05464	78.4
92.08562	3.1
92.09109	11.3
93.07025	76.9
95.04950	47.4
95.08577	27.9
97.06510	18.7
105.04492	5.9
105.07019	48.0
106.49043	2.3
106.98084	2.4
107.08585	17.3
109.06503	46.2
109.10133	15.1
111.08077	2.8
112.44150	2.9
115.05437	3.2
117.06995	14.9
119.08559	29.2
121.06419	4.0
121.10061	3.5
128.06187	12.2
129.06992	2.8
130.07758	2.8
131.08545	12.8
133.10097	22.2
135.08029	5.3
135.11674	2.8
137.09634	4.6
143.08540	15.6
145.10085	16.2
151.07529	13.6
159.11723	2.9
161.09561	20.9
294.64798	2.3
307.66461	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	313.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
55.05494	6.8
56.96547	4.6
57.07062	1.6
64.33339	1.7
67.05495	8.3
68.06452	1.7
69.03415	2.2
69.07054	4.3
79.05480	8.0
81.07042	19.9
85.02921	2.1
91.05457	2.8
92.08984	14.0
93.07031	9.9
95.04940	2.6
95.08628	7.4
103.63522	1.8
105.06992	8.1
107.08599	3.8
109.06535	2.7
109.10168	3.2
111.04449	2.5
112.72324	1.8
116.91330	1.6
119.08546	4.6
121.10103	3.9
131.08578	2.3
133.10101	3.1
135.11707	2.3
137.05957	28.9
159.11639	2.4
184.62251	2.0
209.11452	100.0
211.54131	2.1
277.17935	12.6
277.21198	1.7
313.16138	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	314.123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.2
51.80586	0.1
53.03937	2.7
55.01865	0.2
55.05492	0.8
55.40815	0.2
60.10636	0.1
64.46414	0.2
65.03909	0.9
67.05479	1.3
69.03413	2.6
69.07048	0.3
70.06578	1.2
77.03915	0.4
79.05474	2.9
81.03392	0.3
83.04961	5.3
85.02886	1.8
92.09128	0.7
93.03381	2.0
95.01306	0.8
95.04943	14.1
97.02861	0.4
98.05483	0.2
98.97575	0.4
101.06001	0.2
105.03371	100.0
107.04900	0.2
111.04427	7.2
115.07553	0.2
116.98586	0.3
119.04876	0.3
121.02848	1.2
123.04405	4.2
129.05447	3.5
132.04427	2.4
133.04779	1.3
133.06448	0.8
134.05016	0.4
134.99638	0.2
135.04390	0.3
139.03885	3.0
145.06468	1.9
147.04355	1.5
147.06499	1.1
152.54141	0.2
157.04942	2.1
157.06303	0.4
159.07999	0.2
161.05968	1.1
163.03841	2.4
173.05962	2.4
175.05974	1.0
181.04871	0.2
185.05957	0.4
187.07529	0.3
197.05988	0.8
199.07564	0.3
201.05487	0.3
214.43408	0.2
215.07033	1.1
215.13869	0.3
219.06511	0.8
233.08040	0.3
243.06453	0.3
246.33316	0.2
251.09103	0.3
261.07474	0.3
273.85675	0.2
279.08591	6.4
279.11533	0.3
281.27396	0.2
297.09637	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	312.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.01861	2.5
55.28352	0.5
57.03428	7.0
61.02911	12.9
63.36618	0.5
69.03023	0.8
69.03411	21.1
69.07053	8.9
71.04971	4.2
73.02896	3.8
81.03399	8.0
83.01339	0.6
85.02888	100.0
87.04445	3.4
87.08086	15.8
89.07372	0.6
89.40469	0.5
91.03930	5.2
92.08802	0.6
92.36463	0.5
97.02863	28.0
99.04406	4.4
109.02850	10.6
127.03888	17.9
133.08577	2.8
145.04933	24.4
160.51505	0.5
163.05969	8.5
246.69746	0.6
257.33624	0.5
258.34177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27676	0.3
50.40518	0.3
51.10132	0.3
53.03941	1.8
54.29473	0.3
55.01861	0.6
55.05505	79.3
57.03434	2.9
58.29017	0.3
59.04986	0.6
61.02913	2.3
61.11961	0.4
69.03414	6.4
69.07056	19.1
71.04977	3.1
71.08607	0.4
72.31727	0.4
73.02885	0.6
75.04446	0.4
81.03384	2.8
84.08118	0.4
85.02890	18.3
87.04450	1.8
91.05491	0.5
97.02884	5.8
97.10147	100.0
99.04419	0.9
109.02885	3.6
113.09611	0.9
115.03960	0.6
115.07558	6.0
115.11183	47.0
127.03909	3.7
133.08582	3.9
133.11232	0.5
133.12215	15.5
145.04932	1.9
163.05995	0.4
186.72563	0.5
187.05984	0.5
205.06969	1.6
248.55165	0.4
257.96088	0.4
271.11420	0.7
291.07770	0.4
307.48416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01866	3.4
55.05504	22.4
56.96552	2.9
57.03416	2.1
57.07068	33.3
58.07386	3.3
59.04980	2.4
65.03931	2.1
67.05488	24.4
69.03399	8.7
69.07056	16.1
71.04954	8.6
71.62239	2.0
73.02895	2.3
78.98240	1.9
79.05476	29.8
81.07038	45.2
82.07392	2.1
83.04965	33.2
83.08605	4.0
84.05295	3.3
85.02885	4.8
85.06524	8.1
87.04447	8.7
91.05456	43.7
92.09109	2.4
93.07023	100.0
95.04948	29.2
95.08575	37.8
96.05296	3.2
97.06509	16.9
105.06362	3.3
105.07016	62.7
107.04940	2.0
107.08575	35.3
109.06506	58.4
109.10151	8.6
111.04441	16.7
111.08091	3.4
112.04747	4.8
113.09597	2.5
117.06991	14.2
119.08561	31.0
121.10126	17.9
123.08028	3.2
125.05993	3.1
128.06218	5.0
129.06976	4.3
130.07762	2.2
131.08554	21.8
133.10112	74.0
135.08052	8.3
135.11702	3.6
137.09592	4.7
142.07762	2.3
142.99895	2.0
143.08534	16.4
144.06322	5.0
145.10091	32.3
147.11652	3.6
149.02325	64.1
149.09686	7.7
151.07544	23.0
151.11163	2.6
153.05444	5.2
154.05795	3.8
157.10164	4.6
159.11682	19.0
161.09598	21.3
163.11107	3.6
173.13293	4.8
183.11630	2.6
183.93138	1.9
185.13234	7.3
192.11044	3.8
201.12737	4.8
203.14345	2.5
209.11679	18.4
210.12050	42.2
219.13747	4.4
237.11227	8.4
238.11615	15.2
256.12585	2.4
276.20340	2.4
277.14270	4.6
294.21478	3.0
312.25275	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	312.1075
Annotation	p-Glucosyloxymandelonitrile
Peak:m/z	Relative Intensity
51.02361	0.2
53.03940	0.1
54.82139	0.1
55.05495	0.4
57.03421	0.6
57.07041	0.1
59.04985	1.6
61.02908	0.5
61.07590	0.1
69.03413	1.1
69.07051	13.2
71.04955	0.2
73.02899	0.1
73.06535	4.7
77.03912	0.1
78.40910	0.1
81.03398	0.4
81.06275	0.1
83.04972	0.2
84.36401	0.1
85.02886	2.9
87.04464	0.1
87.08075	0.1
92.08669	0.1
92.09161	0.2
95.04956	0.4
96.86549	0.1
97.02873	1.0
97.06509	3.7
98.97538	0.2
99.08064	0.2
101.06010	1.1
104.04964	4.7
109.02834	0.2
115.07541	20.6
123.84686	0.1
127.03854	0.4
132.04420	100.0
133.04781	0.2
133.06871	0.1
133.08556	3.7
145.04929	0.1
150.05469	4.4
218.62686	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75343	0.1
51.02369	0.2
52.12802	0.1
52.73728	0.1
53.03931	0.2
53.45128	0.1
53.66988	0.1
55.01861	0.2
55.05500	0.2
55.15075	0.1
57.03432	0.9
59.04974	0.6
60.76700	0.1
61.02912	1.1
66.73209	0.1
69.03414	2.2
69.07053	7.3
71.04986	0.4
73.02883	0.5
73.06535	2.3
73.06908	0.2
81.03389	1.1
83.01322	0.1
85.02888	9.1
85.44560	0.1
87.04426	0.2
87.08093	1.3
91.03925	0.3
92.08766	0.2
92.09267	0.2
95.04932	0.5
95.08595	0.2
95.58196	0.1
97.02863	2.7
97.06500	1.6
99.04425	0.5
104.04970	3.6
105.33809	0.1
109.02854	0.7
115.07545	10.9
127.03864	1.4
132.04427	100.0
133.04782	0.2
133.08559	2.1
145.04933	1.8
145.54794	0.1
150.05490	4.5
154.30296	0.1
158.38239	0.1
162.05493	0.2
163.05972	0.3
229.86185	0.1
262.04327	0.1
312.10474	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
54.81581	0.6
55.01856	3.0
55.34439	0.5
57.03429	6.2
59.04971	0.6
61.02912	13.7
64.82094	0.6
69.03413	21.8
69.07053	9.0
69.19422	0.6
70.73836	0.6
71.04964	2.7
73.02900	5.9
73.06532	0.5
77.63082	0.6
80.28507	0.5
80.68086	0.5
81.03397	9.0
85.02886	100.0
85.29710	0.5
87.04441	3.5
87.08086	16.6
91.03939	5.1
97.02864	26.9
97.82787	0.5
99.04428	4.0
100.29418	0.5
105.09143	1.2
109.02845	7.9
115.03900	1.0
115.07557	1.1
118.80090	0.6
120.08469	0.7
127.03887	18.9
133.08553	2.7
145.04933	24.5
163.05968	7.2
295.13760	0.7
296.27618	0.6
306.29120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36447	2.5
55.01862	3.0
55.05503	25.4
57.03417	18.8
57.06812	5.2
57.07066	100.0
59.36843	3.3
67.05497	46.6
69.07046	27.2
71.01330	14.3
71.04957	5.0
71.08618	68.3
79.05461	18.7
81.07036	68.6
83.04958	4.2
85.06510	5.6
91.05470	3.5
92.08660	9.8
92.09283	17.7
93.07006	18.7
95.08594	48.2
97.10081	3.6
97.81107	3.2
107.08556	4.8
109.10130	22.8
111.04420	4.7
119.08508	3.6
121.10117	15.8
123.07984	5.5
123.11584	3.6
125.05915	4.3
141.12706	41.6
145.10066	3.7
153.05551	3.4
154.99127	3.7
169.15862	16.6
183.13782	87.1
183.97948	3.4
201.02753	4.1
209.11687	39.2
237.11203	20.8
251.23555	15.0
279.23111	29.4
311.25131	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	311.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58056	0.9
53.00294	1.3
53.03925	0.8
55.01885	0.9
55.05506	24.1
57.07066	18.5
60.78474	1.0
65.03912	1.0
67.05489	85.8
69.06696	2.0
69.07050	21.1
70.06560	1.1
71.04965	6.9
79.05047	1.9
79.05475	28.2
81.07036	100.0
83.04958	5.4
83.08607	12.0
84.17545	1.0
85.06539	4.9
85.66940	0.9
86.11149	0.9
91.05451	17.8
92.08718	3.1
92.09315	2.3
93.07017	31.8
95.08583	85.6
97.06518	9.8
97.10150	6.8
99.08115	2.0
105.07014	14.2
107.04947	2.1
107.08575	17.4
109.02863	2.4
109.06506	1.6
109.10131	29.7
111.04421	6.5
111.08062	1.8
111.11703	1.3
116.10664	1.1
117.07010	2.0
119.08591	11.7
121.10117	19.4
123.08011	1.3
123.11695	11.4
125.06023	1.2
125.09653	1.9
131.08539	8.3
133.10115	8.9
135.04370	1.1
135.11676	11.5
137.13208	2.3
140.86635	1.1
144.67555	1.0
145.10132	2.6
145.21054	1.0
147.11700	8.0
149.02348	6.8
149.09648	1.3
149.13280	5.4
151.11121	1.1
153.05479	6.2
159.11700	1.9
161.13258	7.9
163.11136	2.4
165.12744	1.9
168.99150	1.2
173.13264	1.3
175.14708	1.3
179.14247	2.3
181.12230	1.8
184.20660	1.0
191.10620	2.4
191.14415	1.3
193.04900	10.5
195.96628	1.1
204.14771	1.1
209.11687	30.3
237.11130	13.0
243.20999	2.5
255.12238	4.1
257.90891	1.1
261.22086	7.9
279.23151	7.6
293.17447	1.8
311.24597	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	2.2
53.03926	1.9
54.81585	2.1
55.01866	2.0
55.05504	100.0
57.03428	34.1
57.07065	53.0
67.05489	28.0
69.07054	98.9
71.08612	16.3
71.08954	1.9
74.74035	2.3
79.05473	22.7
81.07041	43.1
83.04939	8.6
83.08600	69.1
85.06477	2.3
85.10132	3.2
91.05470	5.2
91.33713	2.4
93.07034	17.5
95.08573	34.1
97.06485	4.8
97.10152	39.3
105.07012	3.0
107.08568	16.3
109.10140	17.2
111.04418	3.6
111.08060	2.5
111.11690	4.3
119.08501	3.2
121.10114	13.3
123.11695	2.4
125.09517	2.1
135.11627	4.2
145.10124	2.9
147.11670	3.6
149.13214	2.4
153.12592	2.7
171.37646	2.5
199.09831	2.3
209.11729	16.0
237.11121	4.8
255.20912	2.2
293.21167	4.6
311.25748	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2574
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.26980	1.0
52.78854	1.0
53.03944	1.4
53.10825	0.9
53.89849	1.0
55.01862	1.6
55.05505	94.7
57.03177	2.0
57.03429	34.9
57.07068	45.0
61.43134	1.1
63.73635	1.3
67.05503	12.6
69.07056	85.7
71.08613	17.1
78.98768	1.1
79.05454	11.2
81.07043	12.7
82.69890	1.0
83.08606	62.6
85.10155	6.4
88.32533	1.1
92.08754	1.9
92.09222	1.3
93.07034	11.0
95.08575	8.3
97.06494	5.6
97.10143	30.2
102.02189	1.6
107.08594	8.7
109.10162	1.8
111.04432	1.5
111.11708	8.8
121.10103	9.1
122.24174	1.2
135.11647	5.5
149.13269	1.5
190.74367	1.2
209.11737	8.2
229.10097	1.6
237.11200	1.5
311.25742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01666	4.6
55.01874	70.8
55.05508	52.3
57.07059	45.5
64.59947	5.3
67.05500	49.8
67.18423	4.8
69.07057	100.0
70.31321	5.4
71.04969	7.0
71.08641	7.7
76.48869	5.3
79.05488	41.4
81.07058	48.8
82.81179	5.0
83.04977	11.3
83.08602	32.9
91.05484	9.7
92.09097	28.7
93.07046	44.0
94.14955	5.1
95.08585	35.0
97.06499	13.2
107.08595	33.0
109.10133	24.0
111.04474	9.7
111.08086	8.8
121.10119	21.1
135.11716	11.2
153.12709	37.9
163.11160	6.8
179.54292	5.6
181.12207	7.2
191.10550	7.6
209.11716	64.2
237.11206	26.7
255.90511	6.1
270.28046	8.1
279.23254	44.8
293.17682	5.7
305.09735	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	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.10925	2.8
55.01868	48.1
55.05505	59.9
56.96546	3.9
57.03426	8.0
58.10378	3.3
58.45552	3.6
59.04979	4.0
59.97407	3.7
67.05489	58.4
69.03400	6.5
69.07053	42.5
71.04971	18.8
79.05473	69.3
81.07037	100.0
83.04969	53.3
83.08598	36.1
85.02891	5.1
85.06513	6.0
91.05458	41.2
91.54904	3.8
93.07017	55.4
95.04950	21.3
95.08597	53.2
97.06503	58.1
97.10156	30.1
99.08103	6.2
105.03373	4.6
105.07003	42.3
107.08568	75.6
109.06503	20.9
109.10150	25.2
111.04440	4.4
111.08058	18.3
113.05968	16.2
113.65681	4.1
117.06998	7.1
119.08566	25.4
121.10149	18.8
123.07986	5.2
123.11660	6.9
125.05999	7.3
125.09602	54.3
131.08528	19.7
133.10091	16.8
135.11665	17.5
139.11189	7.9
145.10155	7.5
149.09685	13.0
153.12692	9.2
159.11758	4.6
163.11176	7.6
175.11150	4.7
177.12709	4.4
189.11221	7.3
223.13322	8.0
239.18028	5.4
257.18958	6.1
275.20007	64.9
293.21066	58.6
311.22061	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03928	2.2
54.82058	1.3
55.01865	100.0
55.05505	50.4
57.03429	2.3
57.07061	16.4
62.05111	1.3
64.31078	1.1
67.05488	38.1
69.03407	2.4
69.07056	22.3
70.54204	1.2
71.04973	2.4
71.08595	1.6
79.05485	21.5
81.03403	9.1
81.05405	1.3
81.07037	35.4
83.04955	12.0
83.08595	8.7
85.02872	1.6
88.10337	1.3
91.05451	24.6
92.08986	13.8
93.07009	23.1
95.04950	12.7
95.08585	26.3
97.06483	1.7
97.10157	9.1
99.08076	2.1
103.05476	1.5
105.07005	11.5
107.04939	13.8
107.08600	10.8
109.06500	5.5
109.10123	11.4
111.04432	8.5
111.07979	1.6
115.41666	1.4
117.07008	6.6
119.08560	15.5
121.06473	2.4
121.10135	6.2
123.08063	1.6
123.11746	2.6
124.67944	1.4
125.09591	43.5
125.10426	2.4
131.08540	6.3
133.10060	4.2
135.08032	3.4
135.11691	2.0
137.09541	4.8
145.10120	6.7
149.09586	2.7
149.13214	1.4
151.11186	6.5
153.05444	3.3
159.11627	2.4
163.11171	6.8
165.67969	1.4
173.13225	1.4
177.12759	5.6
179.98462	1.6
181.12308	2.2
191.10686	6.9
191.14398	1.6
209.11707	30.0
237.11179	9.7
247.20665	2.2
257.19061	1.8
269.90427	1.3
275.20056	7.9
293.20975	10.3
310.30801	1.6
311.25610	2.5
326.38501	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01860	0.5
55.05510	2.4
56.96544	0.4
57.03429	17.6
59.04988	1.4
61.02897	2.1
67.05484	3.3
69.03421	5.2
69.07059	0.6
70.06550	0.3
71.04967	0.5
73.02894	0.6
73.06552	0.7
78.30253	0.3
81.03385	2.5
85.02888	10.9
86.02406	0.3
87.04451	0.6
91.05447	0.4
92.08895	1.7
93.07015	0.8
93.87990	0.4
95.08587	26.9
97.02873	3.0
97.06512	0.4
99.04433	0.6
105.03419	0.5
109.02853	1.9
113.09626	100.0
120.08089	0.4
127.03897	2.7
130.39113	0.3
130.88428	0.3
131.09653	0.7
131.10652	20.0
145.04936	2.7
147.04340	0.5
148.04720	0.4
163.05977	0.6
166.08531	0.3
182.95477	0.4
203.09189	0.6
270.09018	0.4
314.74582	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03940	2.3
55.01855	8.6
55.05264	2.2
55.05503	38.0
56.31509	1.3
57.03416	7.2
57.07052	2.6
60.51457	1.3
65.03900	1.3
67.05489	75.1
69.03410	7.3
69.07056	30.5
69.43390	1.3
71.04966	8.0
79.05472	52.0
81.03396	2.1
81.07037	100.0
83.04958	10.0
83.08601	18.3
83.92336	1.3
85.02856	1.5
85.06519	6.5
91.05457	63.8
92.09106	1.7
93.07024	60.7
95.04943	14.5
95.08010	2.4
95.08580	52.8
97.06503	11.8
97.10152	7.3
105.03358	2.2
105.07011	59.6
107.04934	6.5
107.08574	38.0
109.06518	11.3
109.10138	28.1
111.08006	2.2
114.37810	1.7
117.07009	17.4
119.08551	47.3
121.06458	7.2
121.10134	22.9
123.08054	7.6
123.11691	9.2
123.50885	1.5
125.09584	7.1
128.06172	1.6
129.06985	5.1
131.08516	24.6
133.10100	41.0
133.75058	1.4
135.07967	4.9
135.11699	13.2
137.09586	3.1
141.07011	2.4
143.08533	3.2
145.10083	17.9
147.11664	19.7
148.54597	1.5
149.09593	8.0
149.13293	7.7
151.11215	2.6
155.08543	3.0
155.10701	1.8
157.10114	3.1
159.11668	10.0
161.13220	3.4
163.11156	9.5
171.11652	3.1
173.11768	4.9
173.13190	3.4
177.12624	5.6
184.38930	1.5
189.11111	2.3
195.13763	3.4
219.01678	1.5
229.19415	1.7
235.16835	2.1
239.17871	2.6
247.20442	2.3
257.18900	8.8
275.17004	2.6
275.20007	74.5
293.21069	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	310.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.6
55.05482	0.7
55.52531	0.6
57.03426	1.4
57.07054	0.9
61.02905	0.8
67.05493	6.1
69.03412	3.2
69.07054	42.4
70.06564	0.8
71.04612	0.9
71.04974	15.0
72.99244	0.6
73.02897	1.0
73.08080	0.5
81.03397	0.6
85.02892	11.9
85.06528	100.0
92.08888	1.9
95.04940	3.0
97.02863	2.8
101.05991	0.9
103.23775	0.7
109.02892	0.8
109.07005	0.6
113.05985	99.7
120.10241	0.8
127.03925	0.8
131.07014	88.1
134.45317	0.6
145.04933	0.7
148.09634	2.5
178.86649	0.6
203.50299	0.7
315.60602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
54.81959	0.9
55.01867	1.5
57.03424	4.4
57.07070	10.8
59.04990	1.6
61.02908	6.7
63.75063	0.7
67.05493	27.1
69.03418	12.4
69.07053	3.7
71.04974	18.9
71.52676	0.8
73.02897	1.6
81.03407	5.2
83.01322	1.1
85.02888	61.3
85.06531	13.9
87.04453	1.3
90.66215	0.8
91.03932	3.3
92.08783	2.1
92.09304	1.2
95.04947	35.4
97.02864	17.2
98.97586	1.6
99.04424	3.6
105.67696	0.8
109.02848	5.9
113.05986	98.2
127.03889	10.6
131.07016	100.0
134.57884	0.8
145.04921	10.4
163.05962	1.5
254.31337	0.9
293.12167	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	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.01862	24.6
55.05502	56.0
55.82615	3.5
57.03415	8.4
57.07069	6.8
61.07826	4.0
67.05490	95.0
69.03416	4.4
69.07058	44.9
71.04979	8.5
71.08619	41.0
79.05479	64.0
81.03399	4.6
81.07040	100.0
83.04981	17.8
83.08598	27.9
85.06525	7.5
91.05477	54.1
91.96741	4.2
92.68457	4.1
93.07014	92.4
95.04951	27.7
95.08588	54.4
97.06531	15.9
97.10171	7.6
98.06969	4.4
99.08077	16.9
105.07003	40.6
107.04893	4.3
107.08555	38.1
109.06531	9.2
109.10134	30.1
111.08089	4.6
119.08575	24.9
121.10155	23.5
123.08064	5.1
125.09612	6.3
131.08578	9.7
133.10112	27.9
135.11702	24.6
137.09630	5.6
139.11156	6.6
145.10179	7.0
147.08038	3.9
147.11670	9.8
151.11188	16.3
157.10130	4.3
161.13272	16.5
163.11153	7.8
175.14845	4.6
185.13155	5.1
193.15849	5.7
223.38087	4.6
249.22279	4.0
259.20499	4.7
272.33121	4.1
277.21558	46.1
309.24170	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	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80903	1.1
53.00301	1.2
53.03937	22.9
54.81944	1.6
55.01856	9.2
55.05503	40.6
55.26749	1.1
56.62269	1.2
57.03420	2.2
57.07056	8.2
58.04873	1.2
59.04979	2.2
65.03924	1.8
67.05144	2.9
67.05492	80.4
69.03411	2.6
69.07055	51.9
71.04967	3.3
71.08615	1.8
79.05473	59.4
81.03397	100.0
81.07036	77.1
83.04964	21.8
83.08612	15.3
85.06528	1.8
85.10197	2.6
91.05463	27.3
92.08988	12.2
93.07018	46.5
93.07561	2.3
93.19846	1.3
95.04947	54.4
95.08585	26.8
97.06507	8.9
97.10155	10.7
105.04497	1.4
105.07011	26.7
107.04958	2.6
107.08576	29.1
109.06511	14.4
109.10135	18.5
111.08067	3.6
117.06986	3.0
119.08555	16.8
121.10124	9.1
123.08054	1.6
123.11710	6.3
125.09586	12.8
129.06932	2.2
131.08516	2.8
133.10085	16.2
135.08023	3.2
135.11658	6.3
147.11684	13.5
149.13260	6.1
151.11147	39.0
153.09062	2.3
161.00601	1.5
161.13245	12.0
165.12697	13.2
167.14195	1.4
171.11563	5.2
173.13237	1.8
175.11150	1.9
175.14799	3.0
179.14262	3.1
203.12706	8.2
207.13771	2.7
217.19391	1.7
219.25235	1.9
222.89494	1.6
231.21017	7.2
241.19470	7.0
249.22093	3.4
259.20514	3.7
277.21545	97.2
309.24313	5.7
310.82141	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.67346	2.5
53.00296	3.4
53.03932	4.0
55.01864	8.0
55.05506	66.7
57.03424	17.0
57.07061	18.0
62.69700	2.6
67.05494	100.0
69.03407	4.6
69.07060	48.5
71.04976	3.8
71.08622	42.7
79.05481	69.9
81.07040	84.2
83.04975	25.4
83.08598	17.9
85.06544	6.6
86.06856	3.3
91.05461	44.5
92.08996	38.7
93.07022	87.5
95.04951	33.2
95.08587	57.0
97.06529	20.4
97.10173	4.3
99.08065	15.9
105.07011	57.4
107.04936	3.8
107.08585	46.8
109.06500	6.1
109.10164	17.2
111.08066	7.8
117.07021	6.3
119.08557	30.4
121.10109	23.6
123.08047	4.3
123.11667	8.0
129.06995	12.9
131.08545	13.1
133.10136	24.0
135.11685	17.0
139.11186	13.3
143.08640	4.0
145.10114	7.3
147.11687	14.4
149.13239	7.7
151.11162	27.7
161.13155	4.7
163.11168	5.9
175.14815	3.8
185.13142	3.7
195.44106	3.0
221.51550	3.2
259.20499	7.2
277.21530	44.3
291.23242	5.0
309.24246	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	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.00291	2.3
53.03933	4.5
55.01863	4.7
55.05234	1.4
55.05506	36.7
56.90412	1.1
57.03420	6.0
57.07063	7.0
57.18261	1.1
59.56758	1.1
65.03918	1.4
67.05144	2.6
67.05494	70.1
69.03409	2.3
69.07056	30.9
71.04968	4.9
71.08616	73.2
79.05477	69.0
81.03406	15.4
81.07039	70.6
83.04967	23.3
83.08601	13.0
85.06524	5.8
91.05461	47.0
92.08814	8.0
93.07026	90.9
95.04961	18.9
95.08006	2.4
95.08584	60.9
95.67980	1.2
97.06509	18.4
97.10145	5.1
99.08072	37.4
105.04552	1.3
105.07014	22.0
107.04966	9.8
107.08582	47.6
109.06506	5.3
109.10130	17.9
111.08041	5.0
113.09618	4.5
117.06979	6.4
119.08563	19.0
121.06523	2.0
121.10118	32.4
123.08078	2.3
123.11711	1.8
125.47414	1.1
127.11156	2.1
129.06923	1.9
131.08548	6.0
133.10109	15.6
135.08075	1.2
135.11667	34.0
137.09612	6.6
139.11282	1.2
141.09052	5.6
143.08530	1.5
145.10123	4.7
147.11682	5.7
149.13254	8.1
151.11153	27.9
153.12724	4.4
159.11678	2.7
161.13210	13.4
163.11156	9.4
163.14810	1.6
165.12720	2.1
167.10628	2.4
171.11665	1.6
175.14810	2.9
177.12766	1.3
179.14275	100.0
185.13179	2.0
187.14749	1.3
189.12721	2.4
195.13785	1.4
221.15279	1.4
241.19424	1.9
248.29906	1.3
259.20471	3.0
277.21588	71.2
309.24048	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	309.2056
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.20281	1.2
53.00277	1.4
53.03941	2.9
55.01864	31.7
55.05503	40.4
56.96553	1.9
57.03425	8.5
57.07066	2.6
65.03934	2.3
67.05488	90.7
69.03403	5.8
69.07050	33.3
71.04966	12.3
73.06564	1.6
79.05468	56.9
79.05898	2.6
81.03403	2.9
81.07036	100.0
83.01325	3.1
83.04962	17.7
83.08599	13.4
85.02904	2.1
85.06525	8.0
85.92113	1.2
91.05457	67.1
92.09119	3.2
93.02367	1.5
93.07018	69.4
95.04946	15.6
95.08584	36.1
97.06508	8.5
99.04425	3.0
105.07005	73.4
107.04939	15.9
107.08583	57.4
109.06490	16.5
109.09390	2.9
109.10138	83.4
111.04432	2.3
111.08068	8.6
113.05998	2.5
115.05430	1.8
117.06971	10.6
119.08572	20.9
121.06480	14.7
121.10102	14.1
123.04342	1.8
123.08039	7.2
123.11666	13.0
125.05975	2.0
125.09588	1.9
127.07590	1.8
128.06160	3.5
129.07031	5.7
131.08566	13.3
133.06461	11.8
133.10103	77.3
135.08038	7.9
135.11668	7.0
137.09610	3.1
139.07510	5.6
140.68710	1.3
143.08542	7.6
145.10120	9.7
147.08025	10.5
147.11655	7.9
149.09630	7.2
151.11156	34.8
151.74757	1.5
152.87778	1.3
157.10078	3.1
159.11697	1.8
161.09563	10.0
161.13261	2.1
169.12212	7.1
171.11693	2.9
175.11205	3.3
179.10686	2.0
183.11684	2.1
189.12766	2.2
199.11194	1.8
215.12770	3.1
217.12318	2.4
227.17888	1.6
245.18919	12.5
255.17593	3.0
259.07831	1.6
263.19983	11.6
273.18411	27.2
291.19498	43.7
309.20480	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2054
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03923	6.9
55.01860	23.1
55.05501	49.6
57.03425	6.9
57.07068	1.8
58.77270	1.5
62.25878	1.6
65.03929	2.2
67.05488	100.0
68.11189	1.5
69.03412	2.9
69.07044	28.6
71.04974	11.0
77.48458	1.5
79.05470	46.4
81.03398	13.1
81.07033	85.0
83.04950	15.6
83.08602	9.7
85.02878	1.6
85.06520	8.3
91.05454	61.2
92.09038	6.7
93.07015	45.3
95.04927	14.8
95.08581	56.6
96.18311	1.4
97.06491	9.8
97.10143	1.7
99.08105	1.7
105.07006	69.0
107.04948	11.1
107.08573	51.7
109.06501	13.3
109.09384	2.8
109.10135	88.6
111.04411	6.6
111.08053	3.7
113.07801	1.5
117.06984	12.5
119.08541	18.2
121.06479	12.2
121.10128	9.6
123.04367	2.5
123.08056	8.7
123.11676	10.8
127.07531	3.0
129.06987	2.4
131.08548	12.3
133.06505	2.9
133.10095	76.6
135.08017	8.0
135.11647	2.9
137.09573	2.7
143.08521	3.8
145.10069	6.7
147.08008	6.0
147.11671	2.8
149.09613	6.5
151.11154	35.4
161.09517	11.2
163.11119	1.9
169.12218	10.3
171.11693	2.7
175.11182	2.5
215.12767	2.0
227.17838	1.6
245.18933	3.5
263.19943	6.4
273.18347	18.9
291.19464	33.1
293.33182	1.8
309.20554	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.00300	1.7
53.03941	1.9
54.82012	0.9
55.01876	10.7
55.05507	43.2
56.96545	1.5
57.03432	2.0
59.05011	1.3
67.05499	30.6
69.03419	8.6
69.07054	29.4
71.04994	1.8
79.05474	26.3
81.03397	5.9
81.07037	32.9
81.07480	2.3
83.04964	5.7
83.08609	21.0
91.05467	19.9
92.09184	1.4
93.07023	21.9
95.04945	14.2
95.08592	19.3
97.02884	7.3
97.06523	1.8
97.10148	27.3
105.07010	21.9
107.04916	10.4
107.08572	18.1
109.06522	2.7
109.10152	6.3
111.04427	1.7
117.07019	7.4
119.08553	13.2
121.06519	5.0
121.10117	2.7
123.08056	9.1
125.09631	14.6
129.06985	4.7
131.08548	7.7
133.06474	5.4
133.10123	5.2
135.08046	6.4
135.11728	1.9
137.09610	1.7
143.08559	2.4
145.06450	1.9
145.10114	6.3
147.08038	7.0
147.11714	1.9
157.10146	1.9
159.11690	2.3
161.09628	1.8
163.11156	2.2
175.11194	1.7
189.11220	6.2
223.13280	15.8
249.14845	1.5
263.02686	1.3
273.18372	11.3
290.44388	1.2
291.19492	100.0
309.20493	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	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03931	1.1
54.43235	0.4
55.01863	6.4
55.05504	34.6
57.03424	2.0
57.07055	0.5
59.04990	1.2
60.16591	0.5
63.72494	0.4
65.21326	0.5
67.05491	18.4
68.07469	0.4
69.03411	6.2
69.07055	19.7
71.04977	1.1
74.15640	0.6
79.05473	23.5
81.03399	4.6
81.07036	17.6
81.07477	1.0
83.04966	4.6
83.08598	16.4
87.31304	0.5
87.98190	0.5
91.05461	12.3
92.09160	0.5
92.64377	0.5
93.06482	0.8
93.07030	15.4
95.01326	0.7
95.04948	7.7
95.08591	8.4
97.02866	4.9
97.10141	17.6
105.06345	0.8
105.07016	11.6
107.04931	6.0
107.08572	10.8
109.06480	2.7
109.10108	4.3
111.04436	0.7
111.08054	2.3
117.06998	5.8
119.04926	2.0
119.08562	8.7
120.78088	0.5
121.06486	2.1
121.10104	3.6
123.04399	0.7
123.08048	4.7
123.68211	0.4
125.09610	9.1
129.06982	2.9
131.08524	5.9
133.06464	4.5
133.10109	2.9
134.07210	1.2
135.08032	2.6
135.11668	0.8
137.09543	1.7
142.07712	0.5
143.08534	2.7
145.10083	4.4
147.08040	5.0
147.11703	1.2
149.09593	2.3
157.10106	1.1
159.11696	0.9
161.09572	1.2
163.11119	1.1
165.09096	0.8
171.11630	0.7
175.11169	1.0
189.11226	3.6
223.13213	13.2
249.14975	2.0
273.18414	6.0
280.40787	0.5
291.19479	100.0
292.19894	0.7
309.20349	0.9
324.80292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03928	9.3
54.81831	1.6
55.01865	19.2
55.05502	40.1
55.40134	1.3
57.03428	19.3
57.07051	1.3
59.04963	1.4
65.03910	8.4
67.05488	100.0
68.05795	1.7
69.03414	6.4
69.07052	15.4
71.04955	3.5
74.85333	1.4
79.05472	78.7
81.02960	1.7
81.03378	11.9
81.07034	91.1
83.04948	15.6
83.08600	6.2
85.02876	2.7
85.06512	10.8
88.36586	1.5
89.83794	1.5
91.05453	54.8
91.67206	1.6
93.07021	54.3
95.04942	75.5
95.08588	25.4
96.79523	1.4
97.06483	8.0
97.10133	3.7
99.04423	2.9
103.05431	2.8
105.04482	2.1
105.07016	40.5
107.04951	16.9
107.08571	32.5
109.05818	3.4
109.06500	69.4
109.10130	9.1
111.04416	12.0
111.08071	4.0
113.05951	3.1
115.05428	2.7
116.06220	2.5
117.07021	19.9
119.04935	1.9
119.08539	21.3
121.06480	13.6
121.10103	15.4
123.08018	7.5
126.54864	1.7
128.06189	3.8
129.06926	13.2
131.08548	24.4
133.06429	3.7
133.10109	11.1
135.08026	31.6
135.11650	10.3
142.07738	1.7
143.08525	10.3
145.06389	2.7
145.10063	18.5
147.08066	11.2
147.11655	3.7
149.09572	9.7
149.13206	2.4
157.10085	7.8
159.11606	3.5
161.09575	9.5
163.11154	6.7
171.11603	2.5
175.11162	2.0
191.10562	3.4
217.15799	3.6
273.18445	22.2
291.19492	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.14480	2.9
53.03929	6.7
55.01857	15.1
55.05264	6.2
55.05505	92.0
57.03419	14.9
57.07042	3.3
57.69421	3.1
59.04972	2.9
67.05493	69.8
69.03403	8.8
69.07051	48.6
71.04984	4.3
75.33121	3.4
79.05476	65.2
81.03388	16.9
81.07045	100.0
83.04957	20.6
83.08608	49.5
91.05459	51.5
92.09255	3.3
93.07023	65.7
95.04960	43.1
95.08590	68.0
97.06499	18.2
97.10122	32.7
99.04403	3.9
105.03359	16.1
105.07026	37.4
107.04919	7.8
107.08585	27.9
109.06490	8.3
109.10142	17.9
111.04420	8.9
111.08028	5.1
117.07010	16.0
119.04921	7.8
119.08546	22.0
121.06508	4.6
121.10134	17.5
123.08012	47.3
123.11712	6.6
125.09594	24.5
131.08522	17.2
133.06442	4.9
133.10118	17.4
135.07991	6.3
135.11691	7.1
137.05893	3.8
137.09596	16.2
145.10118	16.1
147.04390	18.5
147.08005	5.5
149.09584	4.7
155.57167	3.5
157.10170	5.6
161.09586	5.1
163.11165	15.5
165.09145	6.1
171.11656	4.8
175.11136	4.9
189.11203	7.4
190.05788	5.5
193.12286	5.5
223.13202	3.9
232.10420	7.1
251.06932	3.9
273.18390	31.9
291.19458	51.5
309.16806	8.7
309.20578	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	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03923	21.3
54.81895	3.5
55.01848	19.5
55.05269	3.4
55.05503	68.2
56.96548	4.2
57.03412	21.5
57.07045	4.1
62.22033	2.6
62.32289	3.0
65.03923	5.2
67.05196	3.3
67.05499	67.1
69.03407	4.0
69.07056	31.0
69.08060	3.1
71.04955	5.7
79.05473	100.0
81.03392	18.4
81.06609	3.5
81.07037	64.8
83.04964	16.2
83.08600	25.2
85.02900	3.4
85.06532	7.0
91.05453	49.6
92.08805	6.7
93.07021	99.4
95.04944	38.9
95.08572	33.8
97.06512	29.6
97.10144	33.8
105.03368	19.8
105.07001	35.3
107.04929	18.1
107.08575	38.6
109.06498	14.3
109.10140	23.5
111.04440	4.0
111.08025	5.3
113.05964	13.7
117.07019	18.0
119.04877	10.8
119.08543	27.2
121.06472	14.0
121.10069	24.5
123.08038	21.1
125.09560	24.9
129.06940	5.4
131.08543	19.2
133.06459	5.9
133.10101	17.3
135.08014	13.6
135.11594	6.9
137.09570	5.0
143.08511	12.3
145.10089	15.3
147.04395	35.7
147.08015	6.1
147.11746	6.1
149.09526	5.2
159.11674	12.8
175.11362	4.0
189.11224	7.4
217.15802	4.1
223.13283	14.1
273.18445	29.5
291.19504	29.9
309.16885	5.2
309.20490	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	309.2056
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03931	1.0
55.01865	9.7
55.05505	6.6
57.03430	65.8
57.07063	3.2
62.27498	0.8
65.03928	1.5
67.05146	1.7
67.05496	44.8
69.03409	1.8
69.07052	3.6
70.70480	0.7
71.04977	4.9
79.05477	20.1
81.03423	1.0
81.07043	12.4
83.04916	0.9
83.08611	1.3
85.06532	53.0
91.05459	16.8
92.08912	2.9
93.07023	15.9
95.04949	64.1
95.08606	7.6
97.06539	1.6
105.07021	12.7
107.04925	7.0
107.08572	13.5
109.06506	38.0
109.10101	1.4
109.73528	0.8
111.08051	0.9
113.05991	100.0
115.05413	0.8
117.06998	7.9
119.08563	5.0
121.06470	1.3
121.10162	1.8
123.08070	0.9
129.06987	3.7
131.08548	9.0
133.06487	1.3
133.10112	3.6
135.08028	30.1
135.11676	2.8
142.07773	1.0
143.08540	3.4
145.10104	5.4
147.07967	1.6
147.11653	1.5
149.09601	3.1
157.10135	5.4
159.11700	1.8
161.09563	4.1
171.11577	0.8
173.13235	1.4
181.81889	0.7
183.11618	1.0
189.92761	0.8
199.14806	1.6
201.67828	0.7
217.15842	8.5
239.01799	0.9
255.17334	0.8
258.11691	0.8
273.18430	12.4
291.19492	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.8
57.03425	0.8
57.07060	0.8
61.02914	0.7
67.05486	1.7
69.03403	3.0
69.07053	100.0
77.93642	0.4
79.25021	0.4
81.03405	1.7
83.08617	1.0
85.02892	7.5
86.09688	0.5
90.36813	0.4
91.05477	0.9
92.09234	1.5
93.07045	0.7
95.04968	0.5
95.08628	0.8
97.02878	0.9
99.45448	0.4
105.03392	2.9
105.06993	0.5
109.02915	0.4
111.11702	19.0
111.12482	0.7
119.04948	2.4
119.08582	0.4
127.03969	0.6
129.12735	18.8
129.13643	0.7
142.07710	0.5
147.04375	6.9
147.13843	1.0
158.79654	0.4
190.76411	0.4
193.01860	0.4
226.32353	0.4
260.28867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.8
57.03425	0.8
57.07060	0.8
61.02914	0.7
67.05486	1.7
69.03403	3.0
69.07053	100.0
77.93642	0.4
79.25021	0.4
81.03405	1.7
83.08617	1.0
85.02892	7.5
86.09688	0.5
90.36813	0.4
91.05477	0.9
92.09234	1.5
93.07045	0.7
95.04968	0.5
95.08628	0.8
97.02878	0.9
99.45448	0.4
105.03392	2.9
105.06993	0.5
109.02915	0.4
111.11702	19.0
111.12482	0.7
119.04948	2.4
119.08582	0.4
127.03969	0.6
129.12735	18.8
129.13643	0.7
142.07710	0.5
147.04375	6.9
147.13843	1.0
158.79654	0.4
190.76411	0.4
193.01860	0.4
226.32353	0.4
260.28867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.00293	1.3
53.03936	5.7
54.82254	1.2
55.01869	20.3
55.05507	70.7
56.07511	1.2
57.03432	62.9
57.07071	2.1
57.61093	1.2
59.05002	1.4
65.03925	1.2
65.83727	1.2
67.05496	47.6
69.03416	6.3
69.07061	18.1
71.04974	3.2
76.73947	1.1
79.05479	77.4
81.03407	5.7
81.07043	83.2
81.09645	1.3
83.04970	6.9
83.08608	22.9
85.06529	11.0
87.28553	1.3
91.04900	1.8
91.05466	54.0
92.08920	7.5
92.56435	1.4
93.03392	2.2
93.07020	34.8
95.04945	23.4
95.08598	19.2
97.06511	7.5
97.10152	27.5
99.08095	9.1
103.05430	4.7
105.03367	2.1
105.07018	35.9
107.04947	44.8
107.08577	29.1
109.06503	28.4
109.10175	11.3
111.08064	4.7
115.05434	5.0
117.07002	39.3
119.04944	5.5
119.08568	66.8
121.06482	17.8
121.10105	9.9
123.08059	14.0
125.09615	18.4
128.06248	5.8
129.06950	11.9
130.07735	2.7
131.08551	27.4
132.05753	1.7
132.30453	1.5
133.06447	7.5
133.10124	8.1
135.08037	15.7
135.11644	2.8
137.09566	1.5
141.07043	1.5
142.07732	2.2
143.08524	11.6
145.06485	2.5
145.10109	27.7
147.04362	2.0
147.08038	28.7
147.11636	1.9
149.09561	7.4
153.09099	3.0
155.08488	2.1
157.10147	10.0
159.08055	3.2
159.11678	8.7
161.09572	8.6
163.11203	6.1
169.10135	2.1
171.10211	1.5
171.11684	5.8
173.13185	5.7
175.11191	2.6
180.09085	1.4
183.11646	2.0
185.13167	2.7
189.11229	8.3
201.12776	2.2
219.13673	9.1
223.13316	2.8
227.17894	1.5
235.86984	1.3
245.18987	2.7
249.14827	7.1
255.17435	2.8
273.18439	40.2
281.86414	1.4
291.19498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	0.4
91.05458	6.1
92.09125	0.7
97.02871	0.9
101.07893	0.1
119.04913	24.1
132.62428	0.1
147.04381	100.0
148.04720	0.4
165.05394	0.1
179.04175	0.1
309.09595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.1
55.68124	0.1
65.03925	0.4
69.03393	0.1
81.03394	0.2
85.02870	0.2
91.05457	9.0
92.08915	0.5
97.02866	2.3
99.04414	0.1
105.03396	0.1
107.04913	0.1
109.02862	0.2
119.04915	31.3
145.98352	0.1
147.04384	100.0
148.04761	0.4
158.73245	0.1
165.05428	0.2
198.64180	0.1
206.21112	0.1
231.47606	0.1
255.19466	0.1
301.13742	0.1
309.09677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35604	0.0
52.69196	0.0
53.03941	0.1
54.81896	0.1
65.03893	0.4
69.03414	0.1
69.04368	0.1
69.07055	0.3
72.32998	0.1
81.03401	0.1
83.91235	0.1
85.02885	0.1
91.05460	6.5
95.04898	0.1
97.02863	1.1
109.02896	0.1
117.06909	0.1
119.04916	24.5
127.03838	0.1
129.12749	0.1
147.04384	100.0
148.04721	0.5
165.05411	0.3
165.16843	0.1
239.35406	0.1
280.89825	0.1
309.09665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.1
57.07064	0.2
65.03922	0.5
66.55585	0.1
69.03434	0.3
69.07054	1.0
71.04953	0.1
71.08606	0.1
71.10788	0.1
71.70947	0.1
72.47610	0.1
73.06539	0.1
85.02885	0.7
91.05460	9.1
92.08715	0.3
94.48382	0.1
97.02873	2.4
109.02879	0.1
111.11672	0.7
119.04918	28.9
120.05227	0.2
127.03882	0.2
129.11900	0.1
129.12695	0.9
147.04387	100.0
148.04776	0.4
165.05408	0.2
215.28799	0.1
298.51291	0.1
309.09625	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81939	0.1
59.93261	0.1
64.33733	0.1
65.03906	0.3
69.03420	0.2
73.17007	0.2
75.27447	0.1
81.03384	0.7
84.93765	0.2
85.02913	0.4
87.80038	0.1
91.05453	7.0
92.08842	0.3
97.02882	1.1
99.68557	0.1
119.04913	26.9
147.04382	100.0
148.04773	0.3
155.01141	0.1
156.26410	0.1
165.05388	0.7
183.71228	0.2
187.04558	0.2
208.02954	0.3
291.08905	0.2
309.09033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07042	0.1
52.06670	0.1
52.69928	0.1
57.49064	0.1
58.04913	0.1
65.03925	0.2
67.05476	0.1
69.07050	0.6
76.20119	0.1
81.03421	0.2
91.05463	6.0
92.08796	0.2
93.07052	0.1
97.02890	1.0
105.03375	0.2
105.07024	0.1
109.10183	0.2
119.04921	24.2
130.06511	0.3
147.04390	100.0
148.04745	0.3
151.05148	0.1
153.89441	0.1
159.09233	0.2
160.09454	0.2
165.05374	0.5
171.06322	0.2
186.21715	0.1
306.81653	0.1
309.09604	0.7
309.12921	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	308.2218
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
53.03928	0.1
55.05498	0.1
57.07059	0.2
58.02953	0.3
66.04716	0.2
67.05480	0.3
69.07062	1.0
69.07376	0.1
71.08609	0.7
75.75018	0.1
76.89708	0.1
79.05465	0.7
79.88293	0.1
80.15654	0.1
81.07048	1.2
91.05463	0.5
92.08716	0.4
92.09314	0.3
94.04160	2.4
95.04969	0.3
95.08600	0.5
102.09158	0.2
107.04959	0.2
109.06517	0.3
114.09127	0.1
122.03625	7.9
128.10655	0.2
137.05960	100.0
138.06273	0.2
172.16919	1.3
184.16959	1.3
197.81563	0.1
262.03070	0.1
269.22073	0.1
280.82568	0.1
293.74335	0.1
308.22314	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.9
58.55916	0.2
63.22248	0.2
65.03912	0.4
67.05486	0.3
69.06714	0.3
69.07054	5.2
69.54377	0.2
71.04956	0.2
81.03405	0.3
84.04448	0.3
85.02886	0.9
91.05466	5.9
91.94752	0.2
97.02855	0.9
105.06998	0.3
109.02908	0.2
111.11652	1.4
115.93260	0.2
119.04916	23.3
128.06242	0.2
129.12704	0.7
130.24300	0.2
132.17036	0.2
136.59711	0.2
147.04385	100.0
148.04669	0.4
165.05428	0.3
173.02399	0.2
187.56387	0.2
260.16327	0.2
309.09589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01865	1.2
55.05510	23.6
56.05024	1.1
57.03426	5.7
61.02914	4.4
62.58035	0.5
63.99077	0.5
69.03417	9.3
70.06581	30.3
71.01344	4.0
71.04967	3.5
72.80155	0.6
73.02895	2.7
74.02440	0.6
81.03400	1.0
82.06569	24.8
83.04966	3.3
84.08136	16.1
85.02419	1.1
85.02895	17.9
85.06522	0.6
92.08788	0.8
92.09285	0.8
93.07055	5.2
97.02891	6.3
100.07601	68.9
109.02846	1.3
110.06036	35.7
111.04425	12.0
111.08058	0.6
127.03921	3.3
128.07063	38.7
129.05478	4.5
130.06548	1.3
130.08638	3.9
131.06848	3.1
146.08112	100.0
151.20874	0.6
151.32666	0.5
157.07561	1.1
158.07953	1.4
159.06345	1.3
175.08699	0.7
179.83475	0.7
204.08426	1.1
222.73155	0.6
308.13336	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	308.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26338	0.1
53.03922	0.2
53.11377	0.1
55.01838	0.2
57.03419	0.2
59.36761	0.2
61.02906	1.0
69.03413	2.4
71.04945	0.2
73.02924	0.2
81.03392	1.1
83.04966	0.2
84.08103	0.3
84.50615	0.2
85.02885	5.1
87.04446	0.2
87.64366	0.2
91.03912	0.2
91.05449	0.2
95.04840	0.2
97.02864	1.5
99.04417	0.2
109.02862	0.7
127.03846	0.6
131.55127	0.1
145.04892	0.2
146.05983	100.0
147.06348	0.3
236.96263	0.2
279.74377	0.2
291.02933	0.2
308.11215	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	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.0
55.01859	24.2
55.05506	58.4
56.96548	7.3
57.03410	33.0
60.24385	4.7
61.91248	3.8
67.05496	86.9
69.03412	10.5
69.07071	43.2
71.04975	9.1
74.48770	5.2
79.05479	83.4
81.03419	8.0
81.07034	100.0
83.04959	9.0
83.08604	18.1
85.06531	10.5
91.05461	74.5
93.07034	60.9
95.04948	39.4
95.08618	57.4
97.06504	17.3
97.10145	9.0
105.07017	82.2
105.59232	4.2
107.04927	21.3
107.08581	82.4
108.31966	4.2
109.06506	26.1
109.10158	10.5
117.06992	28.6
119.08582	52.0
121.06479	22.8
121.10107	25.5
123.08062	9.9
125.09621	9.2
129.06952	6.5
131.08522	25.6
133.10161	32.9
134.09627	5.1
135.08046	7.5
135.11678	8.7
137.09528	6.0
145.10123	30.9
147.11626	27.6
149.09647	8.3
150.83299	5.1
151.11177	6.7
151.42015	4.5
159.11690	19.7
161.13264	6.5
163.11084	6.7
173.13326	4.7
205.15804	8.3
219.17319	6.0
257.19006	10.8
261.03000	18.2
275.19998	76.9
289.17883	6.9
307.19070	7.8
307.22476	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	307.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62459	2.3
53.03940	3.5
55.01863	26.0
55.05508	40.4
56.96563	4.3
57.03427	4.2
67.05492	35.1
69.07052	23.2
72.86334	2.2
74.59917	2.0
79.05479	63.2
79.40260	2.7
81.07041	41.8
83.04993	3.6
83.08599	16.6
85.06490	3.2
91.05465	43.1
93.07021	46.4
95.04970	12.9
95.08593	26.5
97.06512	16.3
97.10144	16.3
105.07016	46.0
107.04934	10.0
107.08578	100.0
109.06509	16.4
109.10085	4.9
111.08030	2.9
111.32877	2.3
117.07000	10.6
119.08551	19.9
121.06470	5.0
121.10118	12.8
123.08051	2.3
125.09618	15.0
130.06551	2.3
131.08534	15.7
133.10133	19.0
135.08011	4.6
135.11679	5.3
137.05962	10.7
138.64185	2.8
145.10104	6.0
147.11652	6.2
149.09622	13.4
157.10181	4.1
159.11693	3.7
161.13202	5.4
163.11082	3.1
177.00705	2.5
197.62360	2.6
203.12785	10.6
219.17462	4.1
239.17839	3.5
257.18991	6.0
261.03091	13.0
275.20071	43.0
289.21613	5.0
307.22598	5.9
323.20599	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.2
55.01865	41.6
55.05501	57.3
57.03418	10.2
57.07058	3.2
58.05337	2.2
58.99986	2.1
67.05146	3.2
67.05493	68.1
69.03402	5.8
69.07053	27.7
69.40407	2.1
79.05468	89.3
81.03371	6.2
81.07037	65.6
83.04960	10.8
83.08616	18.4
85.06548	3.7
91.05452	58.6
92.09142	4.5
93.07020	44.5
95.04947	18.8
95.08586	48.3
97.06514	21.1
97.10148	22.5
105.07001	63.4
107.04930	15.2
107.08570	100.0
109.06493	37.2
109.10107	18.5
111.08060	16.3
117.06974	15.3
119.08548	32.6
121.06494	6.0
121.10114	20.0
123.08015	2.5
125.09583	18.4
129.06982	2.6
131.08537	23.0
133.10088	21.5
135.08003	10.5
135.11687	10.5
137.09575	14.7
145.10078	24.3
147.11636	15.0
149.09587	15.5
151.11214	3.7
157.56703	2.3
159.11646	16.1
161.13164	4.9
163.11128	5.9
173.13141	4.6
183.11678	5.0
203.12727	5.1
229.19446	2.9
239.17845	3.7
247.20480	4.0
257.18976	4.4
275.20001	64.3
289.21460	12.0
307.22626	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	307.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.6
55.01860	11.4
55.05503	32.2
56.07743	1.3
57.03423	11.9
57.07060	2.7
65.30765	1.7
66.92696	1.6
67.05145	3.1
67.05490	67.0
69.07052	34.2
71.04986	1.6
79.05473	65.6
81.03409	9.7
81.07037	100.0
83.04955	6.8
83.08598	11.1
85.06526	8.4
91.05460	59.2
92.09174	12.3
93.06415	2.1
93.07022	61.9
95.04954	26.9
95.08584	48.4
97.06508	10.9
97.10155	2.2
101.03252	1.9
105.07014	57.1
107.04913	6.5
107.08578	33.7
109.06497	12.8
109.10162	14.4
111.08047	2.9
117.06989	17.7
119.08553	51.5
121.06520	2.9
121.10109	20.4
123.08047	14.9
123.11726	3.5
128.06161	2.5
129.06976	4.3
131.08545	21.6
133.10089	33.5
135.08008	3.6
135.11642	6.7
137.09608	7.7
143.08583	9.1
143.95685	1.7
145.10129	17.7
147.08096	2.4
147.11638	22.2
149.09624	8.2
151.11064	2.3
157.10100	4.0
159.11671	15.0
161.13219	10.7
163.11220	2.1
169.10194	2.3
171.11659	3.6
173.13277	7.8
175.11102	2.2
183.11766	5.5
185.13232	8.8
203.14296	3.0
219.17429	9.6
235.16995	2.3
239.17911	3.9
257.18921	8.5
275.19962	39.9
289.21472	8.6
307.22644	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	307.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	19.2
54.81645	2.3
55.01870	20.5
55.05508	68.2
57.03430	3.1
62.16328	2.1
67.05490	64.5
69.03420	4.0
69.07050	28.7
71.04990	5.8
71.12900	2.3
73.49241	2.7
79.05476	100.0
81.03394	32.0
81.07040	74.9
83.04969	30.9
83.08614	14.7
84.02508	2.7
88.86580	2.2
91.05458	61.2
92.09121	4.4
93.07031	69.3
95.04947	22.0
95.08581	32.9
97.06523	15.1
97.10148	19.0
105.07018	61.5
107.04943	47.8
107.08580	54.4
109.06498	14.2
109.10149	11.2
111.08082	2.7
117.07009	21.4
119.08569	35.6
120.43620	2.7
121.06474	8.2
121.10159	19.4
121.10876	2.7
123.08047	10.6
123.95528	2.7
125.09613	18.2
131.08542	23.1
133.10103	27.9
135.08008	11.8
135.11678	15.0
143.08562	3.1
145.06479	3.9
145.10136	13.2
147.11711	12.8
149.09602	44.5
157.10112	2.4
159.11674	11.0
161.13231	2.8
163.11224	4.2
187.11116	2.8
203.12775	15.8
209.15283	5.6
219.17525	3.6
275.20023	57.1
307.22760	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	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
54.81896	1.8
55.01866	19.1
55.05505	34.9
57.03421	16.4
57.07058	1.8
63.38946	2.0
64.33734	2.0
67.05494	59.5
69.03431	1.6
69.07054	24.4
71.04989	3.4
73.06524	2.0
79.05479	70.2
81.03391	4.3
81.07043	100.0
83.04978	3.7
83.08605	11.2
85.06551	3.9
91.05459	54.2
92.08887	7.8
92.95490	1.8
93.07023	60.9
94.60612	1.8
95.04972	14.9
95.08586	38.7
97.06532	15.5
97.10162	10.5
105.07018	66.2
107.04940	9.6
107.08578	65.8
107.09289	2.5
107.20227	1.9
109.06506	20.6
109.10149	10.0
110.52225	1.9
111.08104	2.1
117.06979	14.2
119.08565	38.5
121.06467	7.8
121.10113	20.6
123.08042	3.8
123.11686	4.0
125.09602	3.5
129.06993	2.4
131.08556	24.8
133.10117	23.4
135.08070	8.4
135.11661	8.8
137.09564	2.9
143.08574	4.0
145.10104	19.2
147.11710	22.1
149.09587	11.9
149.13136	2.2
157.10126	3.1
159.11679	12.0
161.13242	10.0
163.11150	4.2
165.12712	7.0
166.98439	1.9
171.11603	2.0
173.13232	7.4
175.11130	2.2
177.12781	2.8
178.98427	2.7
185.13278	9.9
197.13347	2.0
201.16380	2.4
203.12704	4.5
203.14398	3.0
219.17403	9.0
235.16901	3.6
236.95927	2.0
239.17963	3.6
247.20528	4.3
257.19012	8.0
261.02893	2.7
275.20020	60.0
289.21603	9.5
307.22641	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	307.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	11.6
54.17616	2.4
54.76860	2.8
54.81828	2.8
55.01860	4.7
55.05512	27.9
56.96554	3.9
57.03426	5.9
65.03896	3.4
67.05491	28.5
69.07050	16.0
79.05486	28.9
81.03393	5.9
81.07037	33.4
83.04965	6.3
83.08624	5.9
85.06518	3.8
88.07616	5.4
91.05459	69.6
92.09043	3.7
93.07021	100.0
95.04964	40.3
95.08569	21.8
97.06515	3.2
97.10138	5.1
103.05460	16.7
105.04496	3.3
105.07011	38.8
107.04932	14.7
107.08593	23.5
108.13185	2.6
109.02822	4.0
109.06544	5.2
109.10152	11.0
110.51328	2.5
117.06969	12.8
119.08564	19.8
121.02823	14.2
121.06481	62.9
121.10106	5.0
131.08536	12.5
133.06427	11.5
133.10118	3.6
135.08017	10.8
137.09567	3.2
143.08516	4.2
147.08131	3.7
149.09613	5.6
158.05981	3.8
159.11659	2.8
163.07521	5.7
214.71201	3.1
215.21855	2.6
233.15123	3.2
261.02966	4.5
289.17892	18.5
306.26294	4.6
307.18796	4.8
307.26663	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	307.1902
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03933	2.2
55.01863	11.0
55.05266	2.2
55.05502	34.4
57.03428	100.0
57.07060	1.7
65.03920	2.6
67.05146	1.8
67.05493	47.6
69.03398	3.0
69.07048	16.8
71.04972	3.3
79.05476	40.4
79.75174	1.3
81.03386	3.5
81.07036	39.1
83.04967	80.3
83.08590	5.8
85.06519	6.6
91.05465	53.7
92.09100	4.0
93.03367	1.8
93.07020	37.0
95.04939	16.3
95.08581	25.8
97.06493	3.1
99.04430	7.0
101.14146	1.4
103.05458	2.6
105.06357	2.3
105.07008	37.3
107.04202	2.3
107.04935	70.0
107.08574	22.1
108.05766	1.6
109.06494	23.4
109.10130	7.9
111.04430	35.6
111.08050	2.2
115.05409	2.8
117.06993	19.7
119.08565	20.1
121.06480	12.2
121.10123	7.3
122.03675	1.6
123.04443	2.5
123.08017	3.0
125.05961	6.5
126.12476	1.6
128.06194	7.6
128.07042	1.4
129.06973	10.7
129.53398	1.4
131.04964	2.3
131.08546	21.6
133.06464	9.6
133.10104	11.7
135.08032	19.7
135.11647	2.0
135.44998	1.7
137.05940	10.2
137.09550	5.8
138.06279	6.7
141.06972	3.6
143.08521	9.3
145.06477	8.6
145.10115	13.1
147.07993	10.4
147.11659	3.3
149.06007	10.3
149.09601	6.2
149.13287	2.0
151.07530	3.3
155.08533	8.3
157.10103	5.3
159.08000	11.7
159.11665	9.3
161.09583	7.6
163.07497	3.3
163.11131	8.7
169.10065	5.5
171.11662	5.6
173.09537	3.1
173.13214	2.3
177.09097	2.9
177.12694	13.5
178.13460	2.4
187.11197	2.1
187.14786	2.6
201.09106	2.3
205.15877	8.2
215.14278	5.9
233.15314	19.1
243.17349	9.5
261.03046	3.3
261.18387	16.7
271.16852	15.2
275.19928	1.5
289.17923	49.5
289.21136	3.4
307.18802	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1898
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03936	3.4
55.01870	23.1
55.05505	77.0
57.03431	82.8
57.07059	1.4
67.05492	53.2
69.03417	8.0
69.07046	15.8
71.04986	2.4
73.54720	1.5
79.05475	79.3
81.03409	8.7
81.07039	37.7
83.04969	9.0
83.08601	22.0
85.06545	2.2
91.05457	41.5
92.08987	12.8
93.07031	21.7
95.04940	16.8
95.08592	11.8
97.06530	3.2
97.10146	30.1
105.03449	1.9
105.07014	22.4
107.04944	30.7
107.08586	33.4
109.06487	15.9
109.10186	12.4
115.05425	2.9
115.49324	1.7
117.07011	27.3
119.08553	18.8
121.06461	14.0
121.10154	2.6
123.04431	2.2
123.08047	3.4
125.09609	20.9
128.06219	2.4
129.07010	7.7
131.08539	11.8
133.06502	2.8
133.10112	2.5
135.08028	33.3
135.11649	2.1
137.09512	2.0
143.08565	2.5
144.05672	2.9
145.06470	9.8
145.10056	3.1
147.08023	3.4
149.09604	2.4
153.09097	11.3
155.08569	3.4
157.10107	2.7
159.08022	56.0
160.08815	7.4
161.09615	2.6
161.13242	1.7
162.09879	1.6
163.07552	8.1
169.10175	2.1
173.09618	3.5
177.09102	3.8
178.20430	1.6
185.09601	3.6
186.43033	2.0
187.11160	2.1
187.14812	3.2
189.11192	6.3
197.13397	1.8
215.14305	11.6
233.15254	16.3
253.15750	7.4
261.03006	2.3
261.18475	2.1
271.16840	31.9
289.17920	100.0
291.78925	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1747
Annotation	Creoside II
Peak:m/z	Relative Intensity
50.96918	0.4
55.05508	5.4
57.03406	1.0
58.35280	0.4
61.02907	0.7
61.75846	0.4
65.03889	0.7
67.03893	0.5
67.05493	65.8
68.77141	0.5
69.03404	4.2
69.07050	2.0
70.06567	0.8
71.04971	3.1
71.88718	0.4
76.56207	0.4
79.05476	2.9
79.17979	0.5
80.87289	0.4
81.03380	0.7
81.07041	20.9
83.08607	5.9
85.02893	13.6
92.08923	0.6
93.07018	0.7
95.04943	1.0
97.02862	3.4
105.03368	0.6
107.08612	4.1
109.02882	1.9
109.10144	100.0
121.63484	0.6
123.08018	0.5
125.09612	1.1
127.03900	2.0
127.11176	10.2
130.06506	1.9
132.04457	0.6
134.05954	1.8
134.94714	0.5
135.06277	0.7
145.04880	1.0
146.06018	0.7
152.07025	2.1
153.07378	2.0
154.69791	0.5
157.07599	1.9
158.05972	1.2
163.06036	0.6
167.08617	0.5
211.13284	0.6
220.42572	0.5
270.05161	0.5
309.66992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1287
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
53.03947	0.5
55.01863	3.2
55.05500	0.6
56.45121	0.4
57.03423	0.5
57.07043	0.4
57.58957	0.4
67.05470	0.8
68.51113	0.4
69.07071	0.6
71.04953	0.9
77.33342	0.5
79.05470	1.9
81.07063	0.6
83.04947	0.4
84.04456	0.4
87.44888	0.4
89.86956	0.4
90.63644	0.4
92.08975	1.8
93.07029	0.7
94.06546	0.6
94.63494	0.4
95.04942	1.6
95.75880	0.4
96.04508	0.5
98.06041	0.9
103.51367	0.4
105.03384	4.0
105.06990	0.7
106.02930	0.5
107.04951	0.8
107.08577	2.4
108.04462	0.8
109.10138	1.6
110.05983	0.5
111.04366	0.6
111.47166	0.4
112.60533	0.4
113.05953	0.4
119.08574	0.5
120.04436	0.7
122.05992	4.0
123.04429	0.5
124.03922	0.4
124.07580	1.6
127.03891	0.4
127.11152	1.8
129.06955	0.6
130.06589	0.6
130.29559	0.4
131.07254	0.5
131.08525	0.8
132.08032	0.5
133.06531	0.6
134.05951	0.5
135.08017	3.4
136.07553	2.1
138.05527	0.8
140.07018	3.4
144.07996	0.6
145.07507	0.5
146.06018	0.8
146.09581	0.9
148.03955	0.4
150.05452	1.0
156.08107	0.8
158.05940	0.4
160.07552	3.8
162.09132	0.7
163.08640	1.9
168.06584	3.3
170.05971	0.5
170.09613	0.7
173.07054	0.4
174.09166	4.3
175.08681	0.5
176.07068	0.8
176.10632	0.6
177.06664	0.6
177.10161	3.7
178.08601	26.1
182.08040	0.7
184.06036	0.7
184.07542	2.5
186.09167	0.7
187.08672	1.9
188.07025	6.4
189.10265	0.6
189.60207	0.4
191.08145	0.9
192.10168	0.7
196.09627	0.6
198.09123	3.2
199.08640	0.5
200.10747	0.5
201.06569	2.6
201.10188	6.5
202.08611	10.5
204.10245	0.9
205.09723	7.1
206.08189	3.8
212.07022	2.0
214.07280	0.4
215.08072	0.9
216.10242	6.8
217.09717	0.6
219.07581	1.6
219.11237	8.6
220.09726	4.1
225.10182	0.7
226.08609	3.2
229.09695	9.4
230.08090	5.6
243.11386	3.7
244.09618	7.6
247.10713	17.0
248.09143	0.8
254.08002	0.9
261.12286	2.0
262.10687	2.0
265.11765	19.3
271.10687	3.1
272.09213	3.2
289.11768	25.1
289.15030	0.8
290.09970	0.8
307.12823	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	305.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.01853	2.5
57.03416	6.8
61.02914	11.4
69.03410	20.3
71.04967	2.9
73.02898	6.4
81.03385	11.1
85.02887	100.0
91.03938	6.5
92.08703	2.5
92.09237	2.6
97.02281	1.3
97.02878	28.6
99.04417	6.2
109.02842	6.6
127.03869	21.9
143.31386	1.2
145.04926	32.8
146.68729	1.3
163.05969	6.8
180.08635	3.2
180.48904	1.3
252.13190	1.4
305.17035	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	306.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01871	0.4
57.03429	2.7
58.99566	0.6
61.02922	3.4
65.03666	0.2
65.03925	3.4
68.05006	3.6
68.32294	0.3
69.03416	7.4
71.01324	0.3
71.05001	0.3
73.02899	2.6
81.03400	2.4
81.07030	1.9
83.01337	0.4
85.01117	3.8
85.02891	16.0
87.04446	1.4
90.94816	0.4
92.08707	0.4
92.09233	0.6
97.02864	3.9
97.06513	0.4
98.00626	3.8
99.02659	6.9
99.04445	1.2
101.02368	0.5
103.03905	1.2
109.02865	1.6
109.06541	1.2
112.03941	0.7
113.02977	3.3
114.03771	0.3
115.03886	0.4
126.03716	39.6
127.03819	1.8
127.04641	3.3
127.07514	3.1
130.06488	1.5
132.04449	2.6
144.04765	100.0
145.04950	1.1
149.96098	0.4
157.07625	0.7
158.05922	2.7
173.07085	1.6
175.08704	0.4
186.05836	3.4
243.07613	6.5
289.08127	2.9
306.10001	15.4
309.71042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24160	0.4
69.07047	1.6
79.05466	0.5
81.07012	0.4
91.05476	0.7
92.09146	0.7
94.04161	2.5
107.08546	0.7
122.03610	7.9
129.54654	0.4
132.99707	0.4
133.10071	0.4
135.11623	0.8
137.05957	100.0
139.33144	0.4
151.17137	0.4
182.15349	0.9
203.96793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90938	0.3
55.05494	0.3
57.07071	11.6
58.06602	3.3
67.05437	0.3
68.05032	0.4
69.07070	0.7
70.06580	34.4
71.08624	6.3
72.08141	3.3
81.07027	0.4
82.21099	0.3
84.08144	2.9
86.09692	3.7
87.04453	0.3
88.07619	21.8
89.06020	1.5
92.08997	4.0
93.07040	0.6
95.04971	0.3
95.08595	0.4
102.09166	11.9
107.08601	0.6
114.09177	0.7
119.08600	0.4
123.53216	0.3
132.10194	9.1
138.17578	0.4
140.14291	0.4
146.11746	11.4
156.17447	3.5
182.19081	1.5
200.20076	45.3
216.17296	0.4
244.22667	48.0
288.25427	2.5
306.26349	100.0
307.26642	0.4
327.06894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
54.82023	0.5
56.17038	0.4
56.96555	0.8
57.03423	0.9
63.22303	0.5
63.52589	0.4
69.03405	2.9
70.06567	0.9
71.04964	0.9
76.56680	0.5
81.03392	2.1
84.04523	0.5
85.02878	4.5
86.06059	0.7
87.00805	2.8
87.04496	0.5
92.08630	0.5
92.09126	0.6
94.06546	0.8
97.02860	4.1
99.04419	1.1
103.05469	0.8
106.80780	0.4
109.02863	3.8
115.05441	0.8
116.64893	0.4
117.05750	1.1
118.06528	1.0
119.01881	2.2
121.10117	0.5
127.03906	8.5
127.07503	0.7
129.06941	0.8
130.06503	100.0
132.04425	33.0
132.08064	13.9
133.03412	0.7
142.06512	2.8
144.08052	0.7
145.04926	0.5
146.06006	6.1
156.06885	0.8
156.08069	1.0
157.06255	1.1
157.07588	83.7
158.05988	89.5
158.08281	2.2
159.09143	25.9
159.10466	0.8
160.07506	4.3
167.06087	0.9
169.07597	3.2
170.05988	1.0
172.07518	0.8
173.07097	4.3
175.08630	26.4
175.10153	0.9
181.07608	0.6
183.05472	0.5
184.07535	4.3
185.07079	17.5
186.05487	1.1
197.07111	4.9
199.08607	2.9
200.07021	0.9
201.06599	3.7
201.10265	1.1
203.08141	5.4
204.06509	0.6
209.06992	0.7
221.09262	0.6
225.06508	0.9
227.08101	9.0
229.05992	0.5
243.07600	5.3
245.09105	11.1
247.07013	0.9
261.08646	10.2
271.07050	8.7
289.08124	8.9
307.09476	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	305.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86519	0.2
53.03941	1.2
54.81586	0.2
55.05501	0.2
64.33221	0.3
67.05494	1.6
67.62135	0.2
68.92460	0.2
69.03440	0.2
69.07065	0.4
71.04977	0.5
79.05457	1.0
81.03397	0.3
81.07039	1.6
85.02883	0.3
85.06542	0.4
91.05465	3.4
93.05746	0.4
93.07030	2.6
94.06557	0.3
95.04944	2.2
95.08575	0.5
96.08101	0.9
97.02864	0.3
98.08969	0.2
105.03391	0.4
105.04485	0.3
105.07018	0.5
107.08612	1.2
108.08099	2.1
109.10104	1.0
122.06017	2.3
123.11612	0.2
124.07578	9.0
125.09634	0.6
126.05499	1.4
136.07559	100.0
137.09689	0.2
140.07050	1.4
140.85280	0.3
140.86435	0.2
143.10646	0.4
152.05862	0.5
152.07047	10.8
164.07039	51.8
170.08151	2.0
173.11623	0.3
182.08107	6.6
287.13852	3.3
288.90015	0.2
305.14828	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1591
Annotation	Creoside I
Peak:m/z	Relative Intensity
53.03927	2.5
55.01865	5.2
55.05503	14.0
57.03421	11.1
57.07065	7.7
59.04996	2.8
60.18523	1.4
61.02913	14.0
67.05492	8.0
69.03411	29.8
69.07050	6.2
71.04974	57.0
73.02906	2.1
73.06531	9.0
79.05471	11.1
81.03397	12.3
81.07044	8.3
83.04969	12.8
83.08598	15.0
85.02888	57.7
85.06526	33.0
87.04468	1.8
91.03929	2.4
91.05473	2.7
92.08913	3.0
95.04953	10.8
97.02878	14.5
97.10145	15.3
99.04456	2.2
101.05997	2.2
105.06956	1.3
107.08578	73.9
109.02892	5.1
109.06518	2.7
113.05998	1.2
117.95545	1.3
125.05975	26.5
125.09602	100.0
126.06300	6.4
127.03884	6.6
128.53014	1.4
131.06047	6.9
136.07582	1.8
137.05914	2.1
137.09525	1.5
143.07042	12.9
143.10660	81.7
145.04997	1.8
146.05984	11.0
147.05608	1.5
155.97031	1.4
167.10616	5.4
219.07599	2.7
227.36479	1.5
305.14819	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96288	5.3
71.04942	5.8
74.14230	6.4
81.04542	32.4
85.02890	9.8
92.09061	10.6
92.27525	5.9
95.06069	13.6
100.47078	6.3
100.57770	5.8
103.99428	5.9
112.13825	6.4
125.07091	44.6
143.08150	97.6
275.60226	6.4
305.06244	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	305.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
53.40089	0.2
55.01862	0.3
56.96549	0.3
57.03410	1.4
57.26888	0.2
60.05627	0.3
61.02912	2.1
63.78137	0.2
66.13083	0.2
69.03413	4.0
70.06570	0.4
71.01328	0.2
71.04976	0.5
72.93751	0.3
73.02885	0.4
81.03397	1.9
85.02887	9.6
86.09681	0.2
87.04428	0.2
89.37174	0.2
92.08878	0.5
92.09395	0.3
95.22353	0.2
97.02866	28.5
98.97569	0.5
99.04427	0.4
109.02861	1.0
114.05512	0.3
115.03931	0.2
125.02323	100.0
127.03874	1.2
130.38052	0.2
143.03374	37.0
145.04926	0.5
145.77997	0.2
229.71985	0.2
305.11948	3.7
307.25119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48232	0.1
51.02345	0.1
53.03924	0.9
61.02898	0.3
69.03402	0.9
77.03880	0.2
79.05469	4.6
81.03407	0.4
85.02882	3.6
85.65278	0.2
92.08869	0.6
95.04908	1.5
97.02872	0.4
105.04489	0.2
107.04935	100.0
109.06526	0.3
124.07574	0.3
127.03944	0.3
133.07552	0.2
163.05923	0.2
170.28822	0.2
237.02647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.3
56.04763	0.8
56.05029	20.8
56.96547	0.7
57.06810	1.0
57.07066	18.5
57.07333	1.0
58.06593	11.0
60.04519	4.1
64.33250	0.6
65.33578	0.6
67.05500	4.3
68.05035	1.0
69.07056	3.8
71.08608	9.5
74.06062	16.4
79.05471	1.4
80.54440	0.5
81.07039	2.7
85.10188	3.8
86.06065	2.9
88.07612	75.5
91.05449	1.3
92.09268	0.6
93.07043	1.1
95.08589	2.9
98.06010	4.1
104.07082	0.8
104.99255	1.4
107.08590	0.9
118.08628	11.6
122.08119	10.2
133.10072	0.6
152.07066	0.6
168.14264	0.6
256.26288	63.2
286.27420	2.3
298.77286	0.6
304.28525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67984	0.1
53.03930	0.8
54.81983	0.1
55.01847	0.2
55.39669	0.1
61.02878	0.2
61.58615	0.1
69.03407	0.9
73.02908	0.2
74.06077	0.2
79.05474	5.4
80.37179	0.2
81.03407	0.3
85.02889	2.2
92.09112	0.2
95.04943	1.6
97.02877	0.6
105.03410	0.2
105.04455	0.3
107.04938	100.0
107.48322	0.1
127.03941	0.3
137.05963	1.0
138.06291	0.3
197.67120	0.2
221.90152	0.2
223.09354	0.2
303.14258	0.3
304.14441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22515	0.8
53.03925	1.4
55.01864	1.8
57.03419	6.8
58.02937	1.2
58.06570	1.3
60.04511	11.7
61.02903	5.1
61.33896	0.9
69.03412	12.8
69.07053	59.3
71.04969	1.1
71.08244	1.8
71.08611	35.9
73.02893	4.4
81.03391	13.0
81.36358	1.0
84.04473	4.8
85.02889	64.8
86.02404	7.0
92.08849	1.6
92.09363	1.3
96.08125	7.3
97.02870	46.0
97.06528	9.6
97.60333	0.9
99.04414	2.4
103.03922	5.0
109.02848	13.0
114.09149	29.0
124.07555	1.6
127.03875	12.9
138.09094	4.2
142.08607	100.0
145.04947	2.6
151.56847	1.1
156.10184	4.6
166.08655	1.3
180.10063	1.0
184.09647	57.5
184.11296	2.0
208.09575	10.0
235.52147	1.2
250.10631	6.4
304.13986	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30179	2.0
50.91701	2.2
51.54581	2.0
53.79685	2.1
54.82163	2.5
55.05503	72.2
57.07060	13.6
67.05489	56.2
69.03410	4.7
69.07050	100.0
69.07403	4.7
71.04980	4.7
71.08604	3.1
79.05468	29.2
81.07035	95.3
81.35175	2.6
83.04977	4.4
83.08607	52.9
85.06546	5.7
91.05465	20.2
93.07025	40.5
95.04959	3.9
95.08584	81.2
97.06506	9.4
97.10143	38.1
99.08079	3.5
105.07009	25.4
107.08582	26.5
109.06461	2.9
109.10147	30.1
111.08086	4.0
111.11707	11.1
117.07019	3.0
119.08566	24.9
121.10123	37.4
123.11693	11.9
125.09624	4.1
130.04358	2.5
133.10077	18.8
133.61340	2.8
135.11665	32.0
139.11203	5.6
143.08707	3.4
145.10078	4.1
147.11679	21.7
151.11119	3.7
153.12721	5.9
161.13217	15.5
175.14755	2.7
192.48758	2.6
208.14787	3.1
217.19456	33.2
233.85216	2.6
235.20500	31.1
253.21626	11.3
285.24283	5.9
297.05582	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	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.1
53.03923	0.7
55.01853	0.2
57.03420	0.3
61.02903	0.3
69.03400	0.6
70.27039	0.1
72.14295	0.1
73.02869	0.2
77.03914	0.2
79.05473	4.6
81.03408	0.2
85.02890	1.8
92.08860	0.7
95.04937	1.8
97.02856	0.9
97.61043	0.1
99.25819	0.1
105.04507	0.5
107.04935	100.0
109.06452	0.2
111.11717	0.1
132.13597	0.2
137.06003	0.3
239.88895	0.1
281.22528	0.2
303.14099	0.3
304.14474	0.3
325.69983	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	304.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88139	0.1
53.03930	0.2
55.01855	0.2
56.96537	0.2
59.59468	0.1
61.02909	0.2
69.03412	1.0
69.07021	0.1
70.06571	2.0
72.08118	0.1
73.02879	0.2
77.03862	0.1
79.05482	1.2
79.57878	0.1
79.90713	0.1
81.03367	0.2
84.04485	0.2
84.08099	0.2
85.02890	2.0
86.09700	0.2
92.09177	0.2
95.04936	0.9
96.04450	0.2
97.02874	0.7
98.06039	0.2
98.97552	0.7
107.04935	100.0
108.05267	0.2
110.06020	0.2
110.07138	0.7
111.11748	0.2
112.07595	0.9
112.26697	0.1
114.05556	0.2
116.98576	0.5
124.03959	1.2
124.07558	1.0
128.98570	0.2
140.03423	0.1
140.07031	0.6
142.04974	0.2
142.08633	0.8
145.04797	0.1
145.47469	0.1
158.99640	0.2
237.02699	0.2
266.20877	0.2
286.13800	0.2
304.13843	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01862	4.5
55.05505	14.1
55.74846	0.3
56.24371	0.3
56.96568	0.4
57.03174	0.6
57.03431	9.9
57.07060	0.9
59.04988	0.5
62.66303	0.3
65.03927	0.6
66.71061	0.3
67.05495	28.7
69.03417	1.6
69.07055	17.8
71.04977	5.5
73.06558	0.4
79.05477	18.1
81.07040	100.0
83.04962	7.0
83.08608	8.2
85.06527	7.3
87.04452	0.5
91.05464	25.3
92.08922	0.4
93.07024	16.4
95.04929	2.9
95.08586	21.9
97.06526	6.6
97.10136	0.7
97.32595	0.3
99.08072	2.5
101.06030	1.5
103.05447	0.5
105.03414	0.4
105.07014	40.2
107.04963	0.6
107.08583	11.6
109.06512	7.9
109.10157	2.7
111.08067	1.4
113.06009	2.3
115.05445	0.4
117.07018	1.6
119.08558	37.5
121.10120	24.0
122.03601	0.5
122.42402	0.4
123.08064	5.6
123.11687	29.6
127.07514	2.1
129.07008	1.9
131.08528	2.6
133.10094	3.9
135.11676	0.5
137.05954	8.6
137.09634	0.6
137.13242	1.6
141.09109	0.8
145.10127	2.3
147.11670	64.1
149.09622	0.8
153.06993	0.6
155.08565	0.5
157.10164	3.3
159.11662	0.4
159.60887	0.4
165.07028	1.8
165.12720	23.1
175.11148	3.2
183.08073	1.4
183.13754	2.8
193.12279	2.1
211.07564	1.5
211.13258	0.6
229.14296	6.4
243.10173	0.6
250.64613	0.4
267.15851	29.3
285.16907	44.4
303.23169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.7
55.01863	5.4
55.05495	3.2
56.05019	2.1
56.96548	5.0
57.03408	1.3
60.04538	0.8
61.02905	1.9
67.05481	2.1
69.03410	5.3
70.06570	9.8
71.04973	52.5
72.04502	1.0
72.08125	8.8
73.02905	1.7
81.04509	1.3
82.06544	1.2
83.04951	1.2
83.06102	1.0
84.04482	3.8
84.08127	15.6
85.02878	9.6
86.06049	1.0
86.09685	6.5
92.09145	4.9
95.06089	2.1
97.02869	4.3
97.06480	1.0
98.06020	22.7
98.97565	6.7
99.04430	35.2
106.45601	0.8
107.04925	1.0
110.06045	3.8
110.07169	5.4
112.07593	1.2
112.08656	1.1
114.05536	1.1
115.08624	1.0
116.07059	18.1
116.98609	2.0
119.01849	1.9
120.08044	1.3
122.06001	5.5
123.05541	1.1
123.06375	3.3
124.07573	1.7
128.07021	1.0
128.98611	0.9
129.10243	5.2
130.04916	1.1
131.01910	1.0
133.03423	1.1
134.99600	1.2
135.04408	1.2
136.06137	1.9
138.05498	4.3
140.07022	10.9
141.06543	3.9
141.07446	4.8
141.10228	1.0
142.08595	2.0
146.99643	1.1
148.07504	2.1
152.07025	6.8
155.00125	1.3
156.07660	3.4
161.02885	1.0
162.09152	1.2
163.04358	1.4
164.07042	0.9
175.11818	1.0
176.07054	10.6
178.04929	1.5
178.08629	1.2
188.09099	6.5
190.08640	1.7
218.08029	6.8
235.08583	1.3
235.10555	6.8
236.43690	0.9
237.02779	1.5
238.10660	1.8
250.10727	5.6
285.14423	1.4
303.10434	100.0
303.15436	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81895	0.9
55.01857	5.6
55.05499	3.6
56.05015	3.4
56.05265	0.8
56.96564	6.2
57.03418	4.1
61.02915	3.5
65.32247	0.8
66.58394	0.9
67.05487	0.9
69.03410	7.5
70.06582	10.5
71.04978	48.0
71.05375	1.5
72.08134	10.0
81.03396	1.2
81.04497	1.7
82.06574	1.2
84.04487	4.1
84.08126	16.8
85.02906	10.1
86.06042	1.7
86.09679	4.5
87.04481	0.9
87.11810	0.9
92.04973	1.0
95.04908	0.9
95.06064	2.0
96.04468	1.0
96.08138	1.1
97.02853	3.5
98.06030	24.3
98.52523	0.8
98.97562	8.5
99.04431	26.8
107.04952	1.0
109.02862	1.0
109.06537	0.9
109.95759	1.0
110.06032	3.6
110.07176	6.6
112.08730	1.2
112.99117	0.9
114.05578	0.9
115.08652	2.1
116.07072	19.1
116.98610	6.2
119.01901	3.6
120.08070	1.5
122.06001	6.0
123.05543	1.9
123.06293	2.2
123.09146	1.1
124.07586	1.7
125.03401	1.4
125.04217	1.1
127.03860	1.0
129.10216	6.7
130.08606	1.7
133.03401	1.4
134.99625	4.3
136.06163	4.2
136.07553	0.9
137.05867	0.9
138.05490	5.1
140.03381	1.0
140.07051	12.9
141.06496	2.8
141.07455	5.0
142.08638	2.1
144.06519	1.0
148.07581	1.4
149.01271	1.1
152.07031	7.0
156.07649	3.3
164.06953	1.0
170.08060	1.5
176.07063	10.5
177.00734	1.4
178.08601	2.2
188.09140	8.4
190.08583	3.8
218.08052	5.4
235.10776	6.3
237.02756	1.1
238.10664	1.4
250.10674	6.2
285.14349	4.0
303.10413	100.0
303.15442	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	303.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81862	2.4
56.96557	3.3
61.47083	2.6
68.82709	2.4
69.03400	14.3
70.06565	14.6
71.04990	3.1
72.46577	2.3
73.02906	3.0
81.03399	6.5
83.06083	12.1
84.04477	4.0
84.08100	4.2
85.02882	25.3
86.09694	5.6
88.60542	2.9
91.17210	3.1
92.09078	10.0
93.04483	6.1
95.04942	5.1
97.02865	6.2
98.97556	6.9
107.04926	6.7
108.10095	3.2
109.02890	4.9
110.07151	80.5
112.07576	6.2
113.04166	2.9
116.98576	4.1
121.02840	16.5
124.03894	3.6
127.03929	3.9
140.03398	100.0
141.03758	59.7
141.05411	12.1
141.06505	6.2
170.13048	2.9
203.05273	4.8
209.70393	3.7
223.36891	3.1
237.02737	4.2
303.07950	16.0
303.10492	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20224	8.9
53.35982	9.9
56.87438	10.0
61.81971	9.9
71.04953	75.0
92.08834	17.3
98.06004	16.4
99.04420	29.5
116.07046	16.8
128.52812	13.2
131.66362	14.6
140.07086	15.5
146.25716	14.2
157.28624	11.1
201.69238	11.9
266.69861	13.1
303.08270	100.0
303.15390	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0861
Annotation	Lanceoletin
Peak:m/z	Relative Intensity
55.05500	0.4
59.88837	0.3
61.19700	0.3
62.06396	0.3
63.09566	0.3
65.03929	0.4
67.01546	0.4
67.01857	6.3
67.05494	0.4
68.99780	0.8
69.07037	0.6
71.04951	0.4
79.05472	1.9
81.07027	2.2
83.04948	0.3
89.03899	7.3
91.05451	1.4
92.08807	0.9
93.03345	0.4
93.07009	0.8
95.04923	1.3
95.08576	0.7
96.01986	0.3
98.97602	0.4
99.04429	0.5
99.17382	0.3
99.68069	0.3
100.99472	0.3
105.06999	0.8
107.04934	2.9
107.08572	1.3
109.06490	0.4
111.04435	6.0
114.37522	0.4
117.03359	11.0
119.08540	1.4
121.06485	0.4
121.10136	0.4
122.03595	0.4
123.04438	3.3
125.02358	2.6
131.04897	0.4
135.04390	19.2
137.05948	6.0
139.03896	2.3
145.02826	15.2
145.03935	0.7
145.10114	0.5
147.11560	0.5
152.01039	0.3
153.28169	0.3
159.04378	1.9
163.03871	57.4
165.05519	0.6
167.03365	100.0
185.04424	4.6
187.03793	2.2
193.04918	3.5
205.04916	0.4
217.36693	0.3
237.02783	0.3
268.98801	0.4
285.07480	0.7
291.55460	0.3
303.08578	44.7
303.23099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.7
56.96290	2.0
56.96555	53.7
56.96832	2.0
57.03408	1.1
60.10189	0.7
60.70375	0.8
61.02908	0.8
65.03918	1.3
67.05490	2.3
67.48274	0.9
68.99776	0.8
69.03413	8.9
70.06557	1.1
72.08118	6.1
74.97579	1.8
81.03384	2.3
81.07030	1.6
81.95786	0.8
83.04945	3.8
85.02884	6.8
86.09680	10.0
92.08800	1.4
93.07021	1.2
95.04926	3.8
95.08570	1.8
97.02857	2.1
97.06541	1.1
98.97559	14.4
105.03339	1.7
108.52637	0.8
109.06448	0.9
111.04411	5.1
116.98580	12.2
121.02841	100.0
121.03851	4.6
122.03612	1.6
123.08022	1.0
127.45137	0.8
129.05438	1.4
132.08057	5.9
134.99614	6.7
137.05952	33.3
140.07065	1.7
141.05441	46.5
141.09058	2.0
147.06502	1.3
149.42207	0.9
167.07008	1.9
174.02225	22.3
182.08095	1.2
188.03806	6.0
192.03288	73.9
206.04878	21.2
207.01930	1.1
210.04309	15.1
215.04849	23.1
217.06467	8.6
220.02737	4.9
222.04247	6.6
224.05884	7.3
226.03601	0.9
229.02922	1.3
231.04341	1.3
233.05916	24.7
234.04323	1.3
235.07533	18.9
236.02209	1.1
238.03812	2.3
240.05258	2.0
243.04349	5.6
247.03831	4.1
249.05417	1.5
258.04263	1.5
261.05411	63.2
276.05338	1.8
279.06461	59.7
284.07016	1.8
303.06555	6.9
303.10538	7.5
303.14047	69.5
321.07956	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.62339	0.4
51.89426	0.5
54.87171	0.4
55.01856	0.4
60.24014	0.4
65.03926	0.6
67.01849	0.5
68.99787	3.3
81.03387	2.0
92.08857	1.8
93.03362	1.0
95.04950	1.0
104.81689	0.4
109.02842	2.0
111.00769	3.8
115.05401	0.8
121.02866	3.3
123.04433	0.6
127.03922	0.5
131.04916	0.4
135.04395	0.5
137.02321	14.7
137.03377	0.6
137.05954	0.6
145.06477	0.9
149.02313	0.7
153.01810	19.2
155.04877	2.1
161.05966	1.0
163.03873	2.9
165.01814	7.5
173.06041	3.0
183.02838	3.1
183.04346	1.0
187.03947	0.8
195.02844	0.7
201.05447	8.8
205.04974	0.7
211.03795	0.5
215.03375	0.5
219.06575	0.9
229.04930	16.9
229.07216	0.6
241.39565	0.5
247.05959	2.2
257.04404	9.3
274.04581	1.8
285.03928	2.8
303.04938	100.0
304.05380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42577	0.2
53.00317	0.2
55.01854	0.5
55.19705	0.2
65.03940	0.8
67.01859	0.5
67.05472	0.4
68.99776	3.3
71.01332	0.3
79.14058	0.2
81.03384	1.3
87.09097	0.2
92.08810	0.8
92.09295	0.3
93.03373	1.2
95.04942	1.1
105.03370	0.4
105.07010	0.3
109.02871	1.8
111.00778	3.0
115.05430	0.3
121.02833	3.4
123.04388	0.5
124.54251	0.2
127.03867	1.0
131.04828	0.4
133.02950	0.3
135.04390	1.2
137.02332	13.4
137.03391	1.1
137.05959	1.4
145.06433	1.5
149.02330	1.0
153.01805	17.8
155.04845	1.8
157.06490	0.3
159.04320	0.3
161.05917	1.4
163.03856	2.1
165.01808	5.7
166.02612	0.4
173.05943	2.2
177.05434	0.5
178.94559	0.3
183.02827	2.3
183.04402	1.5
187.03864	1.4
191.03340	0.9
201.05437	7.6
207.02873	0.3
211.03844	0.5
213.05537	0.3
217.52286	0.3
219.06505	0.5
228.04160	1.1
229.04930	14.1
239.03314	0.4
245.04471	0.3
247.05933	1.3
257.04379	7.6
274.04599	1.7
275.05374	0.6
285.03915	3.4
303.04929	100.0
304.05222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
54.81874	0.2
55.01878	0.3
55.05497	0.2
56.96554	0.2
57.03417	0.4
60.75395	0.2
61.02905	0.9
67.05507	0.3
69.03404	1.4
69.07047	0.3
70.06567	1.7
70.54063	0.2
71.04977	0.3
73.02892	0.3
75.05580	0.4
79.05479	2.9
81.03392	0.9
81.07011	0.2
85.02888	5.5
86.09688	9.2
89.29784	0.2
91.03922	0.3
91.05465	0.3
93.07009	0.3
95.04932	1.3
97.02872	1.4
99.04446	0.2
103.05445	1.7
105.03397	1.8
105.07011	100.0
106.07384	0.2
109.02906	0.2
112.07573	0.8
116.65929	0.2
117.06998	0.3
122.13427	0.2
127.03881	1.2
129.06934	0.2
132.10178	0.8
137.05907	0.3
143.11758	3.2
144.98659	0.2
145.04927	1.5
150.49272	0.2
163.05975	0.3
170.81491	0.2
171.11269	0.9
189.12314	0.4
195.21608	0.2
229.51788	0.2
267.12155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68138	0.4
53.03926	2.1
55.01855	2.2
57.03425	5.9
57.24184	0.4
61.02912	11.4
69.03415	20.0
70.06571	2.1
71.04967	2.2
73.02903	4.3
79.05510	0.6
81.03387	7.9
83.01291	0.5
84.63345	0.5
85.02886	100.0
86.09680	0.7
87.04461	3.3
89.69955	0.6
91.03960	5.9
92.08914	0.6
97.02863	21.0
99.04424	3.8
105.03363	0.7
105.07011	7.0
107.08620	0.5
109.02853	9.1
115.03907	0.8
119.04086	0.5
127.03890	17.3
136.44914	0.5
145.04938	24.4
152.58237	0.5
163.05972	7.8
180.08624	1.2
248.76355	0.5
285.13242	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
55.01854	0.7
56.82969	0.9
57.03406	3.8
57.41851	0.8
58.86947	0.9
61.02897	4.6
61.04610	0.8
61.73407	0.7
65.03955	1.0
67.05490	50.7
67.12052	0.9
69.03414	23.5
69.07053	12.6
70.06574	1.3
71.04988	1.2
73.02876	1.5
73.58529	0.8
81.03387	8.6
85.02887	40.9
92.08984	3.3
94.06525	3.9
95.04946	81.8
96.08061	1.0
97.02872	38.6
99.04432	1.0
103.03925	4.2
109.02855	9.4
112.07587	63.6
113.05994	9.9
122.05988	2.2
123.04388	1.8
124.07583	4.2
127.03863	4.1
136.07536	4.0
140.07040	100.0
145.04919	1.8
154.08600	6.0
170.39336	1.2
178.08626	4.5
182.08081	43.9
197.23065	0.9
206.07996	9.2
248.09065	3.8
257.34946	0.9
284.10947	1.1
302.12378	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0867
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
53.03929	0.3
54.81703	0.2
55.01860	0.4
57.03426	1.3
57.87336	0.1
58.74195	0.1
61.02910	1.9
62.79414	0.1
63.26669	0.1
64.65969	0.1
66.28477	0.1
69.03070	0.2
69.03412	4.1
70.06560	0.8
71.04975	0.3
73.02888	0.7
78.03438	1.1
81.03402	1.8
82.83591	0.2
85.02885	8.5
87.04433	0.7
91.03915	0.7
92.09071	0.3
94.02914	0.2
95.32033	0.1
97.02850	2.7
99.04443	0.2
104.20644	0.2
109.02859	0.8
116.07047	0.3
122.02361	2.7
122.06015	0.2
127.03896	1.1
140.03395	100.0
142.03830	0.2
143.10637	0.2
145.04967	0.7
160.96248	0.2
168.25438	0.1
170.04884	0.2
179.87828	0.2
302.08725	2.7
302.12137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01853	1.0
55.05496	2.7
56.96540	0.7
57.03426	8.9
57.06779	1.0
57.07063	27.5
59.04988	11.0
61.02911	24.9
62.06058	1.1
67.05489	37.5
67.05854	1.2
69.03410	10.9
70.06557	3.8
71.04972	0.9
72.08121	0.8
73.02886	2.7
75.04442	4.2
75.34605	0.5
75.37021	0.6
79.40976	0.5
81.03394	3.6
83.04948	0.5
84.08120	1.2
85.02885	26.9
85.06524	100.0
86.03205	1.1
87.04475	0.9
91.03941	0.8
97.02868	8.3
98.97578	2.4
99.04420	2.4
101.05974	5.3
102.06305	0.7
103.06425	2.0
103.07552	48.9
104.38748	0.7
109.02834	2.4
110.07188	0.7
115.03909	0.8
116.07030	0.6
116.98615	1.0
117.39201	0.5
120.08066	5.7
121.08591	35.2
122.09664	0.6
127.03891	4.5
128.98685	0.5
133.04926	1.3
134.99670	0.7
136.06172	2.7
138.05431	1.0
138.09105	17.9
139.09462	0.6
145.04926	1.4
155.03426	0.7
163.03804	0.6
170.05103	0.7
225.75615	0.6
226.31047	0.5
300.10400	3.4
300.14487	0.9
301.08978	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
57.03416	0.6
69.03412	2.6
70.72449	0.6
75.46645	0.7
85.02895	8.6
91.71631	0.7
92.08952	1.5
95.04957	21.8
97.02863	1.4
105.03382	4.6
121.02843	11.3
127.03873	0.7
137.42606	0.7
139.03893	30.3
145.04907	1.0
242.83215	0.8
263.52939	0.8
301.12534	100.0
302.12833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2158
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
53.03923	3.0
55.01860	3.4
55.05497	20.4
57.07057	4.3
59.05001	2.3
62.45005	1.5
65.03923	1.7
67.05489	31.8
69.03412	12.3
69.07038	17.7
71.04971	20.5
72.60516	1.5
79.05468	34.3
81.07034	62.8
83.04931	2.7
83.08595	6.7
85.06506	3.4
91.05458	72.7
92.08930	3.9
93.06480	3.2
93.07020	60.5
95.04945	27.7
95.08589	30.4
97.06489	11.5
98.97519	2.3
103.05462	2.1
105.07008	95.1
107.08570	77.2
109.05815	2.7
109.06499	46.1
109.10135	37.4
111.08051	3.8
115.05426	7.1
116.06208	3.4
117.07014	26.6
119.08548	96.8
121.06494	14.9
121.10110	44.2
123.08034	6.5
123.11636	2.5
125.09623	1.9
126.98977	1.8
128.06184	11.8
129.06984	18.5
130.07748	18.7
131.08537	87.0
133.06503	2.2
133.10103	57.5
135.08034	26.5
135.11668	9.7
137.09593	3.3
141.06870	2.5
142.07745	8.0
143.08527	41.5
144.09303	15.9
145.10094	100.0
146.07227	15.0
147.11664	23.5
149.13203	4.2
153.07088	2.1
155.08583	4.3
156.09357	7.8
157.10144	18.5
158.10849	26.9
159.07980	3.7
159.11664	19.5
160.12294	2.4
161.09587	53.9
161.13202	2.5
163.11122	2.9
167.08617	2.8
171.11667	12.2
172.08856	2.1
173.13208	93.2
175.14793	7.4
179.08519	7.1
181.10080	3.3
183.11688	4.4
185.13266	7.9
187.14838	2.3
191.14258	15.4
194.10873	3.6
195.11711	2.7
197.13277	2.6
199.14828	7.1
201.16434	3.0
208.12514	2.4
209.13191	9.1
220.23317	1.8
223.14751	3.8
226.36630	2.0
283.20383	2.9
301.21524	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1123
Annotation	Picein
Peak:m/z	Relative Intensity
50.27218	0.2
55.05494	2.3
56.96563	0.5
57.07061	0.3
61.38998	0.3
69.03404	1.2
73.10776	0.2
82.06492	0.3
83.08607	2.4
85.02871	2.0
86.09729	0.3
91.05435	0.4
97.02850	0.6
99.04465	0.5
101.09631	1.4
105.03343	0.4
106.03686	0.4
109.02842	0.4
111.11275	0.3
116.98613	0.4
137.05951	100.0
152.22093	0.3
163.03876	0.7
167.06970	0.4
205.35672	0.3
235.63007	0.3
237.00763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.9
53.03932	7.7
53.99097	0.9
55.01862	2.2
55.05502	30.0
56.96561	1.7
57.03426	9.3
59.04977	1.0
65.03942	1.4
67.05489	69.5
67.96350	0.9
69.03397	1.6
69.07050	19.2
71.04968	2.3
73.06525	1.4
79.05471	100.0
81.03378	9.5
81.07035	54.9
83.04963	22.7
83.08589	7.0
85.06526	2.8
91.05457	85.1
92.08871	2.3
92.64301	1.4
93.07020	99.8
95.04946	31.6
95.08580	37.4
97.06514	4.6
97.10149	2.5
98.97573	5.7
105.03345	5.5
105.04507	4.4
105.07012	59.8
107.04942	7.9
107.08572	18.4
109.06491	10.1
109.10130	5.9
115.05398	1.6
116.06213	1.8
116.98605	4.8
117.06997	12.2
119.08557	36.8
121.06492	1.9
121.10099	2.7
121.98917	1.2
123.08039	6.3
125.09541	1.2
128.06172	5.5
129.06966	26.2
131.08533	18.2
133.10075	14.2
134.99652	2.0
135.08012	1.5
135.11685	1.9
142.07730	1.9
143.08536	13.3
145.10107	13.7
147.08070	2.1
147.11661	35.6
156.09338	1.8
159.08025	24.0
159.12830	1.4
161.09592	2.3
161.13179	8.5
171.11653	27.8
178.04631	1.2
189.12746	8.7
207.13770	23.9
211.02608	1.6
266.99710	1.2
281.17358	63.2
284.06708	9.1
299.06088	2.2
299.09058	13.8
299.20065	6.5
299.98590	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	2.7
56.52902	0.4
56.96552	0.5
58.99847	0.6
67.16472	0.5
69.96232	0.4
70.95832	0.9
77.00862	0.5
83.04962	4.9
83.08616	0.8
92.08775	2.3
98.97559	10.4
99.04399	0.8
101.00842	3.8
103.02429	6.6
111.04397	3.3
113.05974	2.9
116.98603	9.5
119.01073	1.1
119.01897	31.7
121.03462	5.6
127.07541	3.1
127.67781	0.5
133.03439	0.6
134.99626	7.0
137.02939	15.0
137.05861	0.6
138.03035	0.5
141.03928	0.9
141.56339	0.5
143.05502	6.5
145.03447	9.3
147.05005	6.5
153.00748	2.0
155.06999	28.6
157.07074	5.4
159.04974	3.6
161.06569	19.9
163.04475	16.4
165.06058	7.0
167.05432	0.7
169.07083	4.8
171.04970	5.4
173.06534	3.5
175.08136	21.8
177.00908	21.8
178.00978	5.7
179.00714	1.2
182.99789	0.9
183.05017	0.7
183.08585	0.8
185.06575	15.3
187.04478	3.2
187.08131	24.4
189.00935	0.9
189.06044	23.6
190.00757	0.7
195.04994	2.9
201.00868	4.6
201.06027	2.6
201.09724	4.3
203.02521	0.6
203.07635	8.6
204.02621	4.1
204.71913	0.5
205.05551	2.3
207.07133	2.2
207.98569	0.6
208.96017	0.6
209.96043	2.3
210.01479	0.7
211.04488	8.0
211.08018	0.9
213.06085	10.9
213.09616	5.8
214.96484	1.2
219.01967	100.0
220.02090	9.0
221.01881	0.7
229.05536	6.9
229.08981	0.6
231.07088	7.6
231.10710	2.5
233.03506	0.7
233.96254	0.9
234.03629	2.4
237.05980	0.9
239.07613	2.2
242.03561	0.8
251.97112	2.4
255.07039	6.1
255.10693	7.1
256.97186	7.0
257.08636	8.0
257.96875	0.8
258.99631	5.5
259.96497	0.6
261.02960	4.6
262.03094	3.4
263.02768	1.2
265.02823	0.6
274.97626	2.7
275.04642	1.1
275.09625	1.1
275.97174	2.7
276.04694	12.3
276.97595	0.8
277.00723	9.2
293.98254	1.9
294.05670	1.2
298.97702	13.6
299.09702	97.0
299.97919	0.9
300.09933	0.7
317.07077	0.8
317.10681	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	299.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	2.7
56.52902	0.4
56.96552	0.5
58.99847	0.6
67.16472	0.5
69.96232	0.4
70.95832	0.9
77.00862	0.5
83.04962	4.9
83.08616	0.8
92.08775	2.3
98.97559	10.4
99.04399	0.8
101.00842	3.8
103.02429	6.6
111.04397	3.3
113.05974	2.9
116.98603	9.5
119.01073	1.1
119.01897	31.7
121.03462	5.6
127.07541	3.1
127.67781	0.5
133.03439	0.6
134.99626	7.0
137.02939	15.0
137.05861	0.6
138.03035	0.5
141.03928	0.9
141.56339	0.5
143.05502	6.5
145.03447	9.3
147.05005	6.5
153.00748	2.0
155.06999	28.6
157.07074	5.4
159.04974	3.6
161.06569	19.9
163.04475	16.4
165.06058	7.0
167.05432	0.7
169.07083	4.8
171.04970	5.4
173.06534	3.5
175.08136	21.8
177.00908	21.8
178.00978	5.7
179.00714	1.2
182.99789	0.9
183.05017	0.7
183.08585	0.8
185.06575	15.3
187.04478	3.2
187.08131	24.4
189.00935	0.9
189.06044	23.6
190.00757	0.7
195.04994	2.9
201.00868	4.6
201.06027	2.6
201.09724	4.3
203.02521	0.6
203.07635	8.6
204.02621	4.1
204.71913	0.5
205.05551	2.3
207.07133	2.2
207.98569	0.6
208.96017	0.6
209.96043	2.3
210.01479	0.7
211.04488	8.0
211.08018	0.9
213.06085	10.9
213.09616	5.8
214.96484	1.2
219.01967	100.0
220.02090	9.0
221.01881	0.7
229.05536	6.9
229.08981	0.6
231.07088	7.6
231.10710	2.5
233.03506	0.7
233.96254	0.9
234.03629	2.4
237.05980	0.9
239.07613	2.2
242.03561	0.8
251.97112	2.4
255.07039	6.1
255.10693	7.1
256.97186	7.0
257.08636	8.0
257.96875	0.8
258.99631	5.5
259.96497	0.6
261.02960	4.6
262.03094	3.4
263.02768	1.2
265.02823	0.6
274.97626	2.7
275.04642	1.1
275.09625	1.1
275.97174	2.7
276.04694	12.3
276.97595	0.8
277.00723	9.2
293.98254	1.9
294.05670	1.2
298.97702	13.6
299.09702	97.0
299.97919	0.9
300.09933	0.7
317.07077	0.8
317.10681	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	298.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01850	1.5
55.05505	43.4
57.03426	5.4
57.07058	4.7
59.04991	23.5
61.02909	8.9
66.50799	0.6
69.03072	0.9
69.03415	17.5
71.04962	1.4
73.02883	2.8
80.57710	0.7
81.03392	6.5
81.81229	0.6
83.08604	53.5
85.02889	79.3
87.04449	3.5
91.03931	3.0
92.08869	1.5
92.23669	0.7
92.63422	0.8
94.06523	1.0
97.02873	17.2
99.04426	5.1
101.09637	100.0
103.03903	1.1
109.02863	6.5
111.04424	0.7
115.03978	0.7
118.06526	3.7
120.04477	6.7
127.03902	12.3
130.06516	1.2
132.08044	4.1
136.07571	3.6
139.03973	0.8
145.04936	11.1
146.06023	10.3
160.07576	4.9
163.05998	3.1
172.07532	1.0
173.56114	0.7
184.07571	1.3
193.13200	0.6
196.07510	1.1
202.08713	0.7
212.88187	0.8
212.94394	0.7
281.15775	1.5
298.12875	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	299.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64503	0.5
55.01847	0.7
55.05494	3.2
56.96549	1.1
73.02901	0.5
77.00857	0.5
79.87802	0.4
79.96267	0.5
82.99773	0.5
83.04974	6.7
83.08592	0.7
89.02321	0.5
98.97552	9.6
99.04423	0.7
101.00851	3.4
101.15684	0.5
103.02421	7.4
111.04408	3.1
113.05991	3.2
116.98595	9.5
119.01893	25.8
120.01962	0.8
121.03440	5.4
127.07536	2.7
129.05446	0.7
134.99637	7.0
137.02928	13.2
141.03981	2.5
143.05502	7.3
145.03448	9.6
147.05017	7.3
153.00696	1.3
155.06998	27.9
157.07080	6.1
159.05035	3.3
161.06557	22.5
163.04491	16.6
165.06091	5.8
169.07108	4.4
171.05002	5.1
173.06523	3.9
175.08130	23.5
175.09558	1.2
177.00912	12.6
178.00978	4.6
179.00739	0.8
183.05028	0.9
185.06551	14.7
187.04507	2.6
187.08119	23.8
189.06047	20.5
189.07741	0.8
192.02380	0.6
195.04987	2.2
199.08122	1.0
201.00960	2.3
201.06065	0.9
201.09625	4.7
203.02528	0.7
203.07602	7.4
204.02591	2.9
205.05522	2.9
207.07123	2.8
211.04523	8.9
211.08118	2.2
213.06068	11.2
213.09599	5.3
219.01967	70.0
220.02097	5.1
221.02374	0.6
229.05592	5.7
229.09036	0.5
231.07115	6.9
231.10757	2.6
233.03581	0.8
234.03658	2.3
237.05995	0.7
239.07643	2.1
242.03542	0.7
255.07172	6.6
255.10661	8.2
256.96646	3.4
257.08624	7.2
258.99777	4.9
261.02963	1.0
262.03195	3.0
263.02820	0.8
274.97543	1.3
275.04691	0.9
275.09692	1.1
275.97220	2.0
276.04678	11.4
277.00696	11.7
293.98019	1.3
298.97650	11.9
299.09692	100.0
299.97751	0.7
317.10675	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	298.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00055	0.9
54.81670	1.0
55.05503	8.6
56.55391	0.9
58.06581	2.3
67.04237	1.0
67.05479	8.0
68.05018	2.2
70.06587	1.2
72.04504	9.5
72.08134	21.1
78.33071	1.1
79.05472	4.9
81.07037	12.7
82.06559	63.2
83.04961	8.1
83.08590	2.7
83.58575	1.2
84.08135	1.2
91.05465	1.4
92.09071	5.1
93.05737	5.5
93.07026	1.5
93.66871	0.9
94.06537	7.5
95.04948	5.6
96.08147	1.4
98.09686	9.2
108.07347	1.7
108.08089	57.7
110.06019	100.0
110.09622	4.5
119.08535	1.3
122.09628	1.6
125.10726	5.6
126.09143	4.5
135.09148	4.3
136.07544	51.5
136.11172	20.5
137.10733	1.3
138.09123	1.7
144.73228	1.1
148.11185	10.2
152.14328	1.2
153.10220	9.5
153.13956	1.5
154.08611	17.4
154.12259	2.4
163.12262	2.1
164.09520	2.7
164.10681	19.1
165.10201	8.9
165.13811	1.3
179.03305	1.0
179.15385	32.1
181.09691	21.4
181.13301	65.9
182.11771	8.1
189.13832	11.2
194.11732	1.3
207.14877	81.3
209.12791	2.1
227.13846	58.8
235.14389	2.0
252.17067	1.2
253.15401	68.9
262.09546	1.2
281.14841	2.6
298.17508	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	298.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.1
55.05497	9.0
58.06585	2.7
63.68446	2.2
67.05492	12.4
67.11131	1.6
69.03425	2.0
72.04497	11.3
72.08133	23.3
79.05459	4.2
81.07035	15.6
82.06565	69.9
83.04964	4.6
83.08573	3.1
84.08141	2.4
91.05492	2.6
93.05754	2.6
94.06539	12.4
95.04951	3.4
95.48247	2.3
98.09652	5.0
108.08103	71.3
110.06023	100.0
110.09672	7.0
125.10705	3.4
135.09181	2.8
136.07561	55.0
136.11205	18.7
137.10750	3.0
148.11188	8.7
152.14322	3.1
153.10202	9.8
154.08653	21.0
164.09457	4.2
164.10654	25.5
165.10217	12.1
168.11148	1.9
179.15399	41.3
181.09761	22.1
181.13330	59.8
182.11737	9.6
189.13812	13.4
207.14899	97.8
207.16859	3.5
209.12875	4.7
227.13872	54.1
253.15419	72.6
281.14926	2.7
298.17572	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	298.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	18.4
57.03431	4.6
59.04714	0.5
59.04992	7.5
61.02920	3.0
61.37453	0.3
69.03415	4.8
71.04971	0.4
72.30199	0.4
73.02883	1.3
73.06538	7.9
81.03397	1.6
83.04966	8.1
84.25253	0.3
85.02895	16.8
87.04446	0.7
91.03952	0.6
91.45944	0.3
92.08908	0.5
97.02887	4.3
99.04449	0.5
100.15415	0.3
101.06001	100.0
109.02867	1.8
113.80533	0.3
119.07037	20.9
124.03915	3.3
127.03905	2.3
145.04926	3.7
163.05981	0.9
166.07260	0.5
245.01091	0.4
298.09177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81524	0.8
52.50185	1.0
53.03923	1.7
54.71507	0.8
54.81261	0.9
55.01861	10.8
55.05505	24.3
57.03423	10.4
57.07067	1.1
59.04987	7.0
61.02911	19.0
61.16852	0.8
64.41329	1.0
64.55408	0.8
65.03943	1.3
67.05463	1.3
69.03415	21.7
70.26977	0.8
71.04989	3.5
73.02901	7.8
81.03395	9.5
83.04964	2.1
83.08603	36.3
85.02888	90.9
86.09695	1.3
87.04445	1.4
91.03936	2.0
91.05443	1.6
92.04961	8.5
92.08883	4.9
94.06541	16.1
95.04956	5.0
95.53599	1.0
97.02873	25.7
99.04419	5.0
101.09625	27.5
101.38792	0.9
103.03918	5.5
104.04965	4.7
106.01794	0.9
106.03722	1.0
106.06520	6.3
107.04967	1.2
108.05329	1.1
109.02869	8.6
111.04422	5.6
113.05959	1.2
113.34512	0.9
115.05421	1.6
116.98605	2.3
117.05740	4.6
118.06516	37.0
118.07351	1.6
120.04440	91.2
120.08132	1.5
123.04414	10.4
127.03902	17.0
128.04971	1.2
130.06493	22.0
132.04393	2.3
132.08063	35.4
136.07539	24.8
136.08501	1.3
139.03845	15.7
144.08054	5.9
145.04932	11.6
146.05984	100.0
148.07581	9.5
151.03885	4.1
154.22729	1.1
156.08052	5.3
158.06006	6.5
159.06784	3.8
160.07550	53.8
163.06018	4.3
164.07016	1.6
168.08073	1.6
169.04846	1.3
170.09625	1.9
172.07520	19.8
174.09093	1.4
176.07127	1.2
178.08553	1.3
180.07976	1.4
183.06720	2.1
184.07547	10.3
186.09090	2.1
190.08595	1.3
196.07556	4.0
197.85065	1.1
198.09122	9.2
202.08623	5.8
214.08623	5.8
220.09602	2.2
226.08612	2.2
232.09769	1.3
238.10652	5.8
244.09665	5.2
256.11728	1.3
262.10736	4.7
280.11679	14.7
298.09430	2.0
298.12799	56.5
318.20529	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36318	3.9
54.53749	3.5
55.05494	30.4
56.96560	7.6
57.07042	8.3
61.95733	4.0
67.05495	98.0
69.07050	38.5
71.04980	8.0
71.08655	5.1
79.05453	27.8
80.59721	4.4
81.07042	100.0
83.08614	12.2
85.06524	7.9
91.05470	10.6
92.08701	9.0
92.09232	17.6
93.07018	38.6
95.08583	63.8
97.06527	5.3
97.10131	7.0
98.97549	27.5
105.06999	19.0
107.08575	22.5
109.10126	31.6
116.98595	33.8
121.10109	25.9
123.11699	5.7
131.08572	8.6
133.06468	10.0
134.99631	35.2
135.11644	7.4
138.93730	4.9
145.10083	7.4
147.11768	4.9
160.18230	5.5
174.08589	4.8
197.43542	5.1
204.16183	5.1
249.94371	5.3
274.97430	28.8
279.23071	29.2
292.98523	19.5
297.25739	30.0
311.38147	5.6
311.41483	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	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
51.32856	0.1
55.01856	0.2
55.05512	1.1
57.03423	0.7
57.07054	0.5
59.04997	1.6
61.00829	0.2
61.01138	7.4
61.02905	0.6
69.03414	1.8
71.93919	0.1
72.43568	0.1
73.02902	0.2
75.02686	4.1
78.10452	0.1
81.03397	0.3
82.06533	0.1
83.08611	1.5
85.02888	5.1
92.08921	0.6
94.04015	0.2
97.02864	2.9
97.10154	0.1
98.97554	0.1
99.04450	0.3
101.09631	2.7
103.02148	0.5
105.03388	0.3
107.04945	0.1
109.02839	0.5
115.03867	0.2
119.03522	0.8
120.04488	0.1
127.03891	1.1
136.06166	100.0
137.04547	0.8
138.05600	0.1
144.72841	0.2
145.03197	1.2
145.04951	1.1
163.04234	0.9
163.05861	0.1
169.60750	0.1
183.19551	0.1
245.13974	0.2
298.09622	4.6
298.12643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2421
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.01868	100.0
55.05259	4.6
55.05504	64.5
56.10779	3.0
57.03427	3.8
57.07061	16.3
61.28049	3.3
67.05485	58.4
69.07050	94.4
71.04960	4.1
72.93764	14.0
78.29475	3.1
79.05479	40.3
81.07047	41.7
83.04955	22.9
83.08596	48.1
91.05457	17.6
92.08834	25.1
92.68790	3.3
93.07028	59.0
95.08575	34.8
97.06498	23.1
97.10164	3.8
105.06992	4.2
107.08560	29.5
109.10144	23.3
111.08061	6.2
113.96338	3.3
121.10136	15.2
131.08438	5.4
133.10213	3.8
135.11679	17.4
153.12704	47.5
160.11993	3.7
167.10545	4.2
208.88281	29.7
209.89102	8.8
216.29767	3.3
224.87798	5.9
226.89389	8.0
231.89865	15.9
233.22632	5.2
243.21048	3.8
249.58728	4.5
250.89305	41.3
251.89348	4.0
261.22101	14.8
273.90952	21.2
279.23160	72.2
282.36771	3.7
299.06345	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	297.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.03939	4.5
54.67452	0.2
55.05497	1.3
63.61976	0.2
65.03916	1.2
67.05489	2.1
68.99753	0.2
69.03415	2.1
70.42368	0.2
71.04974	0.3
77.03896	1.2
79.05477	3.7
81.03387	0.5
83.04964	6.5
85.02889	1.8
86.76479	0.2
92.08875	0.3
93.03382	1.4
95.04944	15.4
97.02866	0.3
98.59196	0.2
99.08092	0.3
105.03370	100.0
105.04513	3.2
107.57581	0.2
111.04435	6.6
117.09067	0.3
121.02824	0.9
123.04423	3.1
129.05466	3.2
129.30275	0.2
129.31194	0.2
135.80150	0.2
139.03871	2.6
147.06535	0.4
155.11200	0.2
157.04982	1.0
175.05925	0.3
279.08554	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	297.1693
Annotation	(-)-Ovalicin
Peak:m/z	Relative Intensity
52.28036	2.8
52.63284	2.6
53.03927	14.7
53.10165	2.6
54.15379	3.1
55.01846	4.6
55.05492	19.0
55.05775	2.9
57.03423	27.7
61.02893	6.0
67.05493	34.7
69.03412	100.0
69.07045	13.4
69.59097	2.9
71.04965	21.5
79.05466	43.4
81.03406	42.0
81.06598	4.8
81.07037	87.0
83.04953	20.9
85.02889	46.2
91.05449	22.7
93.07015	76.6
95.05000	3.7
95.08570	23.9
97.02854	15.3
99.04446	14.5
105.06986	14.1
107.08582	96.9
109.06537	3.4
109.10136	52.0
110.19231	3.1
111.04405	17.6
119.08559	5.0
121.02832	5.4
121.10059	4.4
123.04393	3.2
123.11669	50.4
127.03892	25.2
128.87035	3.5
133.10121	4.3
135.04382	4.3
135.11664	87.4
137.13226	3.7
145.04948	6.1
145.10033	3.8
151.11166	5.8
153.07011	3.4
153.12691	29.4
157.46938	3.4
171.67694	3.5
196.17897	3.2
297.16925	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2423
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
54.36198	2.1
55.05511	22.3
57.03421	13.2
57.07072	30.9
58.21640	2.4
63.08302	2.4
67.05497	34.9
69.07051	17.8
71.01337	11.6
71.08609	15.9
72.93764	12.2
73.81303	2.7
74.63506	2.7
79.05463	5.6
81.06659	3.2
81.07051	40.8
83.08579	6.5
90.94783	3.9
92.08843	21.8
93.07032	6.5
95.08572	35.5
97.10146	4.4
107.08575	3.6
109.10148	14.2
121.10107	4.5
123.11740	3.4
135.11691	3.6
169.15846	17.3
173.00755	2.8
183.13782	100.0
185.98788	2.8
208.88411	21.7
209.88959	12.9
212.51343	2.3
224.27670	3.0
224.87794	3.5
226.89381	10.7
231.89859	5.6
249.91064	3.2
250.89320	38.2
251.23631	16.4
251.89496	5.0
273.90991	17.2
279.23154	4.3
297.24213	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	297.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.3
53.03717	0.3
53.03942	4.4
55.01852	1.2
55.05512	0.6
57.03421	0.5
59.04984	0.6
61.02891	0.3
69.03417	3.7
71.04971	0.6
72.22321	0.3
79.05476	1.6
81.03382	1.1
81.07019	0.3
83.04964	1.1
85.02881	3.0
87.04439	1.3
91.05446	2.9
92.99786	0.3
93.06999	0.6
95.04935	11.7
97.02859	11.6
105.03367	100.0
105.04512	3.3
107.04938	0.6
107.08565	0.5
109.02898	0.3
111.04421	2.3
113.02320	0.4
117.06982	1.3
119.08553	0.5
120.08079	1.2
123.04371	0.6
125.02283	0.7
127.03883	1.7
129.05444	0.5
135.04425	0.5
135.08026	0.4
136.49597	0.3
138.63210	0.3
139.03865	0.7
157.04939	0.5
175.05978	4.0
222.42107	0.3
279.08643	0.4
297.09650	1.3
315.23972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03942	4.1
55.05493	0.9
65.03919	0.4
67.05482	1.7
67.98938	0.3
69.03414	2.0
77.03900	0.9
79.05481	2.8
81.03390	0.4
81.07048	0.3
83.04965	3.8
83.56195	0.2
85.02888	1.3
92.08907	0.2
93.03365	1.6
95.04946	15.0
98.08983	0.2
105.03373	100.0
105.04521	3.2
111.04420	5.5
114.77791	0.2
121.02822	0.3
123.04398	1.7
129.05457	2.8
139.03868	1.9
147.06511	0.4
147.17207	0.3
152.46339	0.2
157.04947	1.5
175.06021	0.4
230.80138	0.3
279.08551	3.0
297.09607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.2
53.03941	4.5
55.05494	1.2
57.03411	0.2
63.63634	0.2
65.03921	1.1
67.05491	2.1
69.03412	2.1
71.04986	0.3
72.40025	0.2
75.36068	0.2
77.03911	1.0
79.05478	3.4
81.03396	0.4
83.04515	0.4
83.04964	6.3
85.02881	2.2
92.08931	0.4
93.03359	1.6
95.04945	15.9
97.02870	0.3
99.08067	0.3
105.03372	100.0
105.04517	3.3
111.04424	6.1
119.61598	0.2
121.02815	0.5
123.04405	2.3
128.17636	0.2
129.05452	2.5
135.06332	0.2
135.61876	0.2
139.03885	2.3
147.06523	0.8
157.04926	1.2
164.49171	0.2
175.06038	0.2
215.07005	0.3
279.08530	2.5
297.09552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52513	0.3
53.03949	0.4
53.30451	0.3
55.05507	9.5
57.03418	2.3
61.02909	2.0
68.48042	0.4
69.03413	3.7
69.07053	1.7
71.04962	0.5
73.10528	0.4
79.05480	6.1
81.03403	1.7
81.07040	41.5
83.08625	0.4
84.57187	0.4
85.02894	18.6
91.15930	0.4
92.08936	0.7
97.02877	3.8
97.32973	0.4
99.08075	100.0
105.03364	0.7
109.02853	0.9
117.09113	14.3
117.09917	0.8
127.03876	3.0
132.71245	0.4
133.18193	0.4
145.04930	4.9
163.05991	1.8
316.09604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01857	1.2
55.05503	1.9
57.03426	5.4
61.02908	2.3
69.03400	3.8
71.04974	98.6
74.34746	0.5
81.03399	2.0
85.02888	14.8
86.09683	0.6
91.03899	0.7
92.08911	0.9
97.02863	4.2
99.04430	94.1
109.02869	2.0
117.05466	100.0
127.03923	1.0
145.04944	1.0
162.07472	0.5
184.96126	0.6
231.86815	0.5
279.10727	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88404	0.4
53.03928	2.6
55.01858	0.9
55.05275	0.9
55.05509	20.5
57.03427	4.9
61.02898	3.8
69.03413	4.9
69.07044	3.1
72.13491	0.7
73.02878	0.8
79.05470	14.3
81.03396	1.3
81.07040	100.0
81.43954	0.5
83.08604	3.0
85.02889	28.0
85.61686	0.5
91.03914	0.8
92.08924	1.5
97.02870	7.8
98.74638	0.6
99.04432	1.2
99.08076	87.3
109.02863	1.2
117.09102	12.0
127.03914	4.6
127.29679	0.6
133.04970	1.1
134.11816	0.5
145.04950	6.0
163.05977	4.4
179.33548	0.5
261.13528	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.00281	3.3
53.03923	3.3
55.01867	21.7
55.05506	86.6
57.03416	14.0
57.07056	13.0
67.05146	3.4
67.05495	100.0
69.03410	4.4
69.07053	46.3
71.04971	10.2
71.08611	30.4
79.05053	3.9
79.05475	68.6
81.03393	11.2
81.07040	86.1
83.04948	20.3
83.08602	32.9
85.06525	3.9
91.05465	57.1
92.08978	12.2
93.07019	67.8
95.04953	20.2
95.08585	55.9
97.06499	16.9
97.10148	23.7
99.08075	22.1
105.07017	39.5
107.04924	3.9
107.08568	31.6
109.06525	3.4
109.10133	16.9
111.08038	4.6
117.06992	9.8
119.08575	29.7
121.10132	19.2
123.11678	3.6
125.09596	12.2
129.06953	4.6
131.08522	13.9
133.10130	18.1
135.07980	3.2
135.11673	15.0
139.11194	5.6
143.08493	3.7
145.10072	3.9
147.11639	10.3
149.13266	4.3
151.11185	21.3
157.10065	3.0
161.13249	10.3
179.14253	5.6
189.11101	9.1
195.13896	3.2
224.56406	2.9
241.19542	3.5
259.20462	5.0
277.21576	48.2
295.22614	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	296.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
53.03944	4.9
55.01857	0.5
56.04766	0.4
56.05024	7.7
56.86088	0.4
56.96552	0.3
60.04514	6.9
65.39872	0.4
67.05510	0.3
69.03405	2.0
69.07045	1.5
70.25468	0.3
71.04934	0.4
73.02889	0.4
77.03927	0.7
79.05461	0.4
81.03391	0.6
82.02920	0.8
83.04974	0.8
84.04495	4.6
85.02888	1.6
86.02412	13.4
86.02913	0.7
87.00793	0.6
88.03973	2.1
91.30777	0.4
92.08971	1.8
95.04949	15.9
100.03956	10.3
105.03373	100.0
105.04520	3.9
106.06547	0.7
110.02392	7.3
112.52607	0.4
128.03413	28.9
146.04459	23.9
150.97760	0.3
156.02914	2.6
164.04605	0.4
174.03940	62.0
179.34027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.00291	3.1
53.03941	6.4
53.05457	1.5
55.01858	6.1
55.05503	33.3
57.07065	20.3
57.96166	1.5
67.05146	2.8
67.05493	73.2
67.12890	1.3
67.18330	1.3
68.05080	1.5
69.07059	35.7
71.04971	9.4
79.05473	68.0
79.65930	1.5
81.07038	74.1
83.04970	2.1
83.08600	8.8
85.06527	3.6
87.04438	7.5
91.05464	68.1
92.08837	11.9
93.07021	100.0
95.04948	15.1
95.08584	38.1
97.06503	9.0
97.10163	2.5
105.07011	64.1
107.08589	39.8
109.06503	9.3
109.10154	18.2
115.03952	1.6
117.06999	14.1
119.08562	36.9
121.06448	3.0
121.10113	23.6
123.08060	1.8
123.11681	8.9
129.06973	12.4
131.08575	11.6
133.06451	3.1
133.10098	33.4
134.07272	1.7
135.08011	7.6
135.11635	14.2
137.09517	3.0
143.08543	4.0
145.10129	13.4
147.08037	3.5
147.11697	22.6
149.02324	65.6
149.09668	3.2
149.13210	8.7
151.80852	1.7
157.10085	7.9
159.11613	2.4
161.09598	7.4
161.13231	6.4
163.11208	2.2
163.14818	3.2
164.65138	1.5
165.03667	1.6
165.09059	1.8
171.11647	7.9
175.11127	6.2
175.14807	8.2
179.10666	1.9
185.13206	2.6
189.12675	2.4
193.12186	7.5
203.07114	2.2
207.13762	6.3
217.19409	9.0
221.15375	2.0
231.17328	3.4
241.19420	3.1
259.20523	7.8
265.13705	1.8
277.21603	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	Colneleate
Peak:m/z	Relative Intensity
53.03933	3.9
55.01849	7.8
55.05265	4.6
55.05502	75.6
57.03426	6.3
57.07053	14.5
63.29443	2.7
67.05492	100.0
69.03426	6.0
69.07055	46.9
71.04962	7.7
71.08608	15.4
74.27254	3.7
76.04330	3.0
79.05470	69.5
81.03407	4.6
81.07039	99.7
83.04964	25.3
83.08592	31.1
85.06544	3.9
91.05466	40.1
91.49110	3.0
93.07019	76.1
95.04965	25.7
95.08582	58.5
97.06493	14.0
97.10157	24.4
105.07003	30.6
107.08571	35.2
109.06456	5.6
109.10159	25.9
111.08070	4.9
117.07021	4.1
119.08556	23.0
121.10121	19.3
123.11691	3.8
125.09563	7.4
129.07025	4.0
129.10773	3.5
131.08554	6.9
133.10092	21.6
135.11635	13.7
137.09612	5.0
139.11124	18.0
151.11230	5.8
157.10219	5.2
161.13268	4.3
165.12662	5.9
212.45525	3.8
238.42265	3.3
259.20502	7.2
277.21579	52.8
295.22610	38.7
305.24850	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03939	22.0
55.01868	11.4
55.05506	33.5
57.03428	2.1
57.07061	7.6
59.04984	1.2
65.03907	1.6
67.05492	54.9
68.47680	1.3
69.03419	1.5
69.07054	55.0
71.04979	2.7
71.08597	1.7
79.05473	48.4
81.03401	100.0
81.07041	58.8
83.04961	22.3
83.08600	13.5
91.05466	30.2
93.07025	46.8
95.04947	55.1
95.08584	23.7
97.06519	6.4
97.10142	6.8
105.07016	29.4
107.08577	29.7
109.06514	12.6
109.10149	12.5
111.08080	1.5
112.48489	1.2
117.07001	7.7
117.91322	1.4
119.08565	17.3
121.10101	9.3
123.08060	2.1
123.11700	2.1
125.09607	8.3
125.10411	1.4
129.06982	2.1
131.08534	2.5
133.06468	5.7
133.10106	17.4
134.07234	1.3
135.08035	7.9
135.11708	7.5
137.05928	1.9
143.08626	2.5
145.10117	2.2
147.08076	1.8
147.11687	11.3
149.13326	4.8
151.11185	26.5
153.09171	1.9
157.10118	1.4
161.13232	11.5
163.14752	1.8
165.03799	1.3
165.12738	6.2
171.11653	2.7
175.14818	1.8
179.14291	2.2
185.13266	2.1
189.12814	3.1
213.81230	1.4
219.79308	1.3
221.15320	1.8
224.42082	1.3
231.21030	3.1
241.19493	6.1
249.22086	4.8
259.20490	5.7
277.21564	84.2
295.22549	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.00274	0.8
53.03939	23.2
54.82048	0.7
55.01871	9.1
55.05232	1.1
55.05503	31.0
56.93137	0.6
56.95666	0.6
57.03419	3.4
57.07072	8.0
59.04974	0.9
60.18416	0.6
65.03909	0.7
67.05489	65.0
69.03399	3.1
69.07053	50.3
71.04969	3.1
71.08617	4.6
79.05473	42.3
81.03397	100.0
81.07037	59.9
83.04965	24.1
83.08596	8.5
85.06535	1.5
85.10168	1.5
89.58501	0.7
91.05453	24.2
92.08839	1.4
93.07018	40.2
95.04942	45.8
95.08580	21.1
97.06509	5.6
97.10146	6.0
99.08054	1.0
105.07005	23.6
107.04906	1.2
107.08575	23.2
109.06499	8.4
109.10136	14.4
111.08058	3.6
117.06967	3.4
119.08559	12.3
121.06490	1.5
121.10107	7.0
123.08054	3.2
123.11703	6.9
125.09602	6.3
129.06979	1.7
131.08528	4.9
133.10094	15.9
135.08002	3.6
135.11691	6.4
137.09581	1.2
137.13292	1.0
143.08557	1.5
145.10133	3.1
147.11647	10.5
149.09622	1.2
149.13223	3.5
151.11159	36.2
153.09154	1.1
153.12759	0.9
157.10121	1.5
161.13223	8.9
163.14792	1.5
165.12697	12.4
171.11700	3.4
173.13087	0.8
175.11180	1.5
175.14774	1.8
177.12682	0.8
177.65962	0.7
179.14313	5.4
185.13223	1.2
189.12703	1.7
189.16371	1.1
207.13805	3.4
217.19566	1.1
231.21007	7.3
241.19504	3.0
249.22093	1.7
259.20514	5.5
277.21558	80.0
311.24905	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.00303	1.5
53.03931	5.7
55.01870	6.2
55.05262	2.1
55.05504	32.6
57.03432	5.5
57.07063	7.5
65.03918	2.3
67.05491	77.3
69.03424	1.6
69.07050	26.5
71.04961	2.4
71.08615	67.7
72.14341	1.1
79.05474	68.6
81.03400	13.6
81.07038	68.6
83.04966	23.7
83.08599	11.9
84.20465	1.3
85.06528	5.1
88.62944	1.1
91.05460	43.7
91.55491	1.1
92.04942	1.4
92.08994	13.0
93.07024	100.0
95.04938	15.9
95.08586	47.1
97.06518	16.1
97.10133	2.2
99.08078	31.9
105.07012	28.2
107.04940	8.0
107.08570	48.4
109.06504	7.2
109.10140	18.5
111.08086	2.0
113.09673	3.0
114.36682	1.6
117.07006	7.0
119.08565	19.5
121.10117	35.3
121.10961	2.1
129.06972	1.7
131.08549	2.5
133.10127	15.4
135.08086	1.6
135.11668	34.9
137.09595	2.8
139.11137	1.9
141.09114	2.4
143.08556	2.7
145.10103	2.5
147.11662	5.6
149.13223	9.7
151.11153	21.8
153.12741	5.0
159.11667	3.1
161.13232	12.9
163.11143	6.3
163.14731	1.5
167.10637	3.0
177.12680	2.6
179.14272	88.8
185.13249	1.4
216.55519	1.4
221.15398	2.4
235.16887	2.0
241.19496	1.7
259.20572	2.8
277.21579	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99955	0.4
53.03942	2.3
55.01865	3.4
55.05497	3.0
56.22746	0.4
57.03428	8.0
57.04545	0.6
57.76247	0.5
61.02914	15.0
64.43526	0.6
69.03415	26.8
69.07053	11.4
71.04983	1.3
73.02911	4.7
73.06537	1.0
78.90278	0.6
81.03397	10.2
85.02888	100.0
87.04485	1.1
87.08088	15.3
91.03922	4.2
92.08800	1.5
92.09303	0.7
94.04034	3.2
97.02867	22.9
97.10139	4.4
99.04442	4.1
109.02865	9.0
114.79427	0.5
115.11191	0.5
123.06634	1.4
127.03883	16.9
144.20747	0.7
145.04939	15.2
150.07722	78.9
163.06018	2.9
314.66986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78810	0.4
53.03944	2.4
53.06680	0.5
55.01879	0.6
55.05505	100.0
57.03432	2.8
57.06321	0.4
59.04999	2.0
61.02915	2.5
66.66823	0.4
69.03420	6.1
69.07056	10.9
71.01337	0.5
71.08614	0.5
72.90662	0.4
73.02898	2.0
78.93191	0.4
79.05511	0.4
80.05243	0.4
81.03415	1.0
85.02888	17.0
85.03362	0.8
91.05463	1.9
92.09171	2.6
97.02876	3.2
97.10148	97.8
98.97583	0.5
99.04467	0.4
109.02860	1.7
115.03896	0.9
115.11185	31.6
116.98649	0.4
119.04937	1.0
120.08080	7.4
127.03905	1.0
133.12234	6.1
135.32825	0.4
136.06163	2.9
136.07544	3.9
145.04973	0.7
161.10715	7.0
162.04083	2.1
212.24112	0.4
231.28558	0.5
295.16537	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	295.2265
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.00286	4.8
53.03928	5.4
55.01866	21.8
55.05505	85.1
56.96563	3.7
57.03421	10.6
57.07064	17.1
59.04980	4.0
65.03910	3.1
67.05144	3.8
67.05493	100.0
67.83967	2.8
69.03410	18.0
69.07056	30.2
69.75796	2.7
71.04960	3.2
71.08614	55.3
79.05471	69.2
81.03400	20.5
81.06599	4.9
81.07040	91.6
83.04962	18.8
83.08596	37.2
83.19099	2.5
85.02892	6.3
85.06510	4.7
85.10130	3.5
91.05470	38.2
92.09142	3.1
93.07027	66.7
95.04955	18.7
95.08580	48.5
97.02856	3.6
97.06527	16.2
97.10140	32.2
98.97533	5.3
99.08079	31.7
101.26110	2.9
103.05461	3.6
105.03374	3.3
105.07014	59.9
106.07833	4.1
106.53294	2.5
107.04945	3.0
107.08566	48.3
109.06542	10.0
109.10123	25.7
111.08015	19.1
113.09641	2.6
113.51664	2.7
117.06966	3.6
119.04749	2.3
119.08553	25.3
121.10145	23.8
123.08032	4.5
123.11641	5.3
123.86248	2.6
125.09576	23.2
129.06993	2.8
131.08501	4.5
133.06476	17.0
133.10088	21.8
133.80792	2.7
134.07233	10.6
135.08051	28.3
135.11684	13.8
137.09612	4.3
137.13232	3.2
141.32668	2.9
145.10077	5.4
147.11665	16.2
149.02304	28.7
149.13249	5.9
151.11179	37.6
157.10144	4.0
161.13206	10.8
163.11165	15.7
165.03661	22.7
165.12726	12.5
171.11624	5.2
175.14738	3.9
179.14287	10.9
189.11246	6.2
199.14798	3.5
241.19485	4.7
277.15781	3.5
277.21539	68.8
295.22705	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.102
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.00291	0.6
53.03933	0.7
55.01849	2.9
55.51810	0.4
57.03427	71.4
59.04976	2.6
61.02909	15.1
69.03413	62.2
71.01334	12.5
71.04995	0.5
73.02898	100.0
76.51186	0.5
81.03397	4.1
85.02887	69.6
87.04467	5.0
91.03922	1.0
92.08997	4.9
97.02868	55.6
99.04413	2.5
103.03925	1.8
109.02841	3.1
115.03905	40.3
127.03893	7.1
129.07800	0.6
133.04942	12.4
145.04921	5.6
149.12595	0.5
159.37396	0.5
163.05984	3.5
223.05991	0.6
241.06885	0.9
259.08109	1.2
295.10181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1021
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03923	4.3
53.10236	0.8
55.01854	5.3
55.05504	34.9
57.03178	1.4
57.03430	25.7
59.04984	2.5
61.02911	10.7
67.05489	1.4
69.03413	90.2
69.07054	20.8
70.06573	1.0
71.01314	1.4
71.04956	5.3
73.02534	1.3
73.02886	9.3
75.04460	4.5
81.03400	17.0
81.06984	1.2
83.04971	2.1
85.02888	100.0
86.09703	1.1
87.04447	35.7
87.08094	1.5
91.05454	4.6
92.09166	1.2
95.04927	2.2
97.02869	53.2
97.10144	62.2
98.97539	1.6
99.04434	9.4
101.02379	1.6
103.03900	4.9
105.03406	1.6
105.07013	2.5
107.08610	1.2
109.02844	8.0
109.06530	1.1
111.04415	2.3
115.03143	1.8
115.03902	26.8
115.11192	19.1
116.98617	1.7
119.04971	1.2
123.04372	1.6
127.03871	12.9
133.04948	24.4
139.03868	1.4
145.04927	17.6
147.04446	1.5
161.04460	1.1
169.04904	4.9
238.75487	1.0
241.07143	1.3
265.14890	1.1
277.09103	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	295.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.4
55.01855	3.2
55.05517	0.8
57.03420	8.6
57.41272	0.6
59.04989	0.8
61.02915	12.7
69.03414	22.3
69.07051	12.7
71.04984	2.5
73.02876	4.4
73.06541	1.1
74.32484	0.5
81.03400	8.9
84.08123	2.4
85.02889	100.0
87.04453	3.8
87.08089	15.6
88.03967	0.7
88.98184	0.8
90.99117	0.7
91.03941	5.0
92.09121	2.6
94.04015	1.0
97.02868	21.7
97.06525	0.8
97.10165	1.2
98.97488	0.6
99.04438	3.8
101.02376	1.0
103.39218	0.6
109.02862	8.4
115.07550	1.0
117.61774	0.6
123.06681	1.0
127.03889	13.3
133.08621	0.8
136.07562	1.2
145.04951	13.6
150.07729	47.3
163.06033	1.1
183.97876	0.6
224.00011	0.6
233.77711	0.7
289.88153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2471
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03923	1.3
55.05503	8.8
55.57193	0.5
57.07049	2.7
65.03911	1.3
67.05488	100.0
69.07050	9.2
79.05466	15.1
81.07035	87.8
82.50570	0.6
83.04937	0.9
83.08587	4.8
85.06509	2.6
91.05446	7.2
92.08844	0.9
93.07028	13.1
95.04889	1.0
95.08578	72.7
97.06509	1.4
97.10113	1.2
105.06998	4.0
107.08564	7.0
109.06458	0.6
109.10140	24.2
117.07002	2.5
119.08537	3.9
121.10119	7.3
123.08064	0.8
123.11679	8.3
131.08519	4.5
133.10098	2.5
135.11623	5.0
137.09619	1.0
137.13232	5.2
145.10060	3.8
147.11659	2.8
149.09615	1.0
149.13222	3.1
151.14755	1.4
159.11644	2.7
161.13214	2.2
163.11125	0.9
163.14781	1.2
165.12689	2.4
173.13216	4.4
175.14851	0.7
177.12732	0.8
179.14244	0.7
187.14815	2.3
191.14265	0.8
201.16426	0.9
211.28127	0.7
237.11253	1.1
243.21031	3.6
261.21979	4.8
293.24609	10.2
305.48355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2062
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.83399	0.1
53.45962	0.1
55.01854	0.2
55.05488	0.3
56.05836	0.1
56.86784	0.1
57.07070	1.4
57.20192	0.2
59.53506	0.1
64.33353	0.2
65.03915	0.2
66.04713	0.2
67.05487	0.7
69.07055	0.2
70.07413	0.2
70.59548	0.1
70.94714	0.1
71.08611	1.3
79.05465	1.3
80.05808	0.2
81.07027	1.1
91.05447	0.9
92.08805	0.4
92.09306	0.2
93.07001	0.3
94.04156	2.3
95.04942	0.2
105.07002	0.2
107.04909	0.3
107.08562	0.3
108.08870	0.2
109.06522	0.3
122.03622	9.0
125.55794	0.2
137.05954	100.0
138.06297	0.2
141.12709	1.3
147.76427	0.2
158.15344	1.2
169.21875	0.2
170.15329	0.2
249.87683	0.2
276.20370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.06712	2.2
53.03934	5.4
54.37222	2.5
55.01858	13.1
55.05508	79.6
59.97796	2.1
60.02191	2.6
67.05493	34.0
69.03421	3.0
69.07046	12.6
71.04978	3.4
79.05474	100.0
81.03413	2.8
81.07031	33.7
83.04971	20.5
83.08597	14.7
91.05460	39.5
91.69878	2.4
92.09198	4.1
93.07026	51.5
95.04932	11.9
95.08582	14.1
97.10136	14.4
101.55273	2.4
105.07013	32.2
107.04935	50.1
107.08566	41.2
109.10173	5.6
111.08037	3.6
117.06985	15.2
119.08544	16.3
121.10111	16.5
125.09586	11.4
131.08565	6.5
133.10112	14.5
135.07986	5.0
140.25890	3.0
145.10121	3.9
147.11624	5.5
149.09601	52.0
150.70160	2.4
169.12173	3.1
189.11179	4.9
208.43602	3.6
209.15334	3.3
229.19330	2.8
233.04782	2.6
247.20161	3.2
257.18982	10.8
275.19962	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.94308	1.1
53.03922	1.6
54.81975	1.2
55.01855	8.5
55.05502	23.0
57.03422	2.0
57.07046	2.5
60.54676	1.0
65.03907	1.9
67.05144	2.5
67.05486	51.1
67.05845	1.9
68.88280	1.0
69.03398	1.5
69.07047	36.4
71.04967	3.0
75.94072	1.3
79.05474	35.6
81.07034	51.4
83.04978	12.8
83.08606	10.1
91.05441	31.4
92.09124	4.7
93.07017	39.7
95.04938	15.2
95.08577	30.9
97.06485	6.2
100.01097	1.2
105.07002	46.0
107.04937	12.3
107.07941	2.0
107.08569	25.7
109.06496	16.4
109.10148	12.2
109.75116	1.2
111.84091	1.3
117.06979	13.2
119.08554	22.5
121.06474	18.3
121.10130	8.5
123.08020	8.2
123.11683	2.1
129.06935	1.5
130.07779	1.7
131.08528	23.0
133.06459	6.8
133.10098	23.7
135.08005	6.2
135.11647	6.0
137.09605	2.1
143.08534	2.2
145.06401	2.3
145.10066	16.0
145.10884	1.0
147.08035	5.2
147.11656	16.6
149.09555	7.1
149.13235	1.8
150.62354	1.2
151.11145	7.7
155.08473	2.0
157.10114	2.0
159.08008	1.5
159.11656	10.2
161.09544	2.1
161.13159	2.8
163.11136	5.4
171.11607	2.5
173.09540	2.1
173.13217	7.2
175.11147	2.0
175.14806	1.6
177.12709	1.9
187.11099	2.2
189.12718	1.7
191.14175	2.5
201.12708	1.6
207.13795	2.5
219.13675	4.6
247.20511	1.6
254.24828	1.3
257.18933	15.0
275.19980	100.0
293.21082	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.33254	1.2
50.49530	1.2
53.03939	40.3
53.85447	1.2
54.82002	1.2
55.01863	13.8
55.05501	26.1
65.03928	2.2
67.05492	58.1
69.03426	1.4
69.07051	41.3
71.04968	3.2
79.05003	1.6
79.05470	51.6
81.03398	80.6
81.07037	79.6
83.04972	11.2
83.08607	5.8
91.05458	80.8
93.07029	51.0
93.07626	1.6
95.01310	15.8
95.04950	17.9
95.08580	47.7
97.06509	11.7
99.08037	1.6
99.31057	1.4
103.05461	2.6
105.07009	100.0
107.04929	30.3
107.08580	26.9
109.06499	10.0
109.10162	8.1
111.08011	2.0
117.07022	19.0
119.08541	32.7
121.06482	3.2
121.10150	8.0
123.04401	1.8
123.08031	13.2
125.09634	1.7
129.06923	2.1
131.08536	25.0
133.09171	3.0
133.10104	48.6
135.08046	2.0
135.11681	9.3
141.06934	5.1
142.07733	1.3
143.08534	3.4
144.09456	1.7
145.06476	8.5
145.10112	10.9
146.10809	1.7
147.11661	13.1
149.09634	1.9
149.13260	3.3
152.41989	1.4
157.10164	2.2
159.08060	2.3
159.11591	11.0
161.13211	5.9
163.11212	3.0
165.42696	1.5
169.10126	5.5
173.13211	2.2
177.12726	6.3
179.14299	8.5
187.11188	7.1
192.24174	1.4
205.12270	1.9
228.45349	1.4
232.86543	1.4
240.48828	1.4
257.19006	3.0
275.19989	54.0
293.21127	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	293.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04721	1.3
53.03926	2.8
54.46313	1.3
55.01855	11.5
55.05499	34.0
57.03417	3.5
57.07053	6.3
64.33409	1.6
65.03901	2.5
67.05489	53.5
69.07053	30.6
71.04961	8.5
77.98895	1.8
79.05467	48.8
81.03381	7.0
81.07035	100.0
83.04958	9.6
83.08593	11.0
85.06525	2.3
91.05451	38.5
92.08940	9.6
93.07020	33.9
95.04951	18.7
95.08576	34.9
97.06491	3.5
97.10133	2.8
105.07013	46.4
107.04939	3.6
107.08572	27.9
109.06503	14.5
109.10157	18.9
111.08041	1.7
117.06996	12.7
119.08552	31.0
121.06483	2.7
121.10101	8.7
123.08054	9.9
123.11673	3.6
129.06996	2.9
131.08530	11.5
133.10080	20.8
135.08035	3.9
137.09628	3.6
143.08565	2.1
145.10075	9.8
147.11659	10.5
149.02316	46.4
149.09607	3.9
151.11127	3.5
157.10144	3.7
159.11707	6.3
163.11081	3.0
163.12352	1.8
165.12648	2.4
173.13252	2.1
176.23965	1.9
249.19414	7.6
257.19016	3.2
274.39670	1.9
275.20020	34.4
293.20892	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03931	6.4
55.01858	3.0
55.05502	24.7
57.03425	2.4
57.07044	1.5
65.03918	1.3
67.05489	45.3
69.03398	1.3
69.06712	1.5
69.07053	21.9
71.04980	2.8
73.21196	1.2
75.71185	1.1
79.05467	40.5
81.03394	6.0
81.07034	100.0
83.04955	2.9
83.08600	8.9
84.15946	1.3
85.06540	1.9
90.00697	1.2
91.05453	34.3
92.08877	1.9
93.07024	26.1
95.04948	18.1
95.08576	27.5
97.06511	6.1
97.10120	1.8
105.07004	35.7
107.04950	7.5
107.08553	19.0
109.06472	14.4
109.10136	15.1
110.68769	1.5
117.06987	10.1
119.08558	27.9
121.06478	3.3
121.10143	12.7
123.08036	8.2
123.11677	6.0
129.07008	2.3
131.08537	11.7
133.10092	19.0
135.08061	2.7
137.09612	5.3
145.10078	9.8
147.11700	11.3
149.09627	7.7
151.11147	1.3
159.11623	6.3
163.11143	3.1
165.12711	1.5
171.11678	1.8
173.13203	3.4
177.12798	1.4
183.68867	1.4
185.13199	1.4
187.14824	1.5
225.60718	1.4
257.18985	2.1
275.19943	33.2
293.21069	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03940	8.7
55.01869	24.9
55.05507	53.9
57.03431	2.8
57.07060	5.9
67.05144	2.6
67.05493	58.0
69.03413	2.6
69.07053	43.2
69.07409	2.7
71.04961	3.0
74.12473	1.1
75.19545	1.1
79.05473	80.4
81.03400	11.2
81.07038	52.1
83.04964	9.7
83.08607	16.7
85.06529	1.4
88.07652	1.4
88.32728	1.3
90.40755	1.3
91.05459	55.0
91.06009	2.7
92.08845	7.7
92.78007	1.1
93.07025	42.1
93.57468	1.4
95.04945	27.0
95.08584	31.7
97.06512	15.6
97.10150	22.4
103.05448	2.6
105.04484	1.4
105.07020	54.1
107.04931	15.2
107.08577	100.0
108.07636	1.1
109.05853	1.8
109.06458	11.8
109.10150	13.5
111.04450	1.7
111.08069	2.6
112.30072	1.2
117.06999	16.2
119.06062	1.4
119.08559	28.1
121.06483	3.1
121.10110	14.7
123.08057	2.5
123.11680	2.1
125.09607	17.2
129.07043	2.1
131.08559	18.7
133.06517	1.3
133.10132	21.9
135.08057	3.0
135.11678	6.9
141.06976	2.3
143.08531	1.9
145.06477	1.9
145.10104	17.9
147.08055	1.3
147.11702	12.5
149.09621	19.6
151.11192	5.0
155.08560	1.8
159.11678	8.9
161.13234	5.9
163.11176	11.8
165.09024	1.9
169.10075	2.0
171.11702	1.4
172.76443	1.6
173.13258	2.8
173.59596	1.4
179.14265	1.7
181.12227	1.9
183.11868	1.6
185.13177	1.8
187.11191	1.8
189.11156	8.9
189.12749	1.5
209.11766	2.8
223.13281	1.8
237.11249	2.6
247.20634	2.4
257.18881	9.4
275.20010	61.4
275.22928	2.8
275.29031	1.4
293.21182	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	293.2104
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03941	2.9
55.01863	12.7
55.05264	2.0
55.05506	37.2
56.96561	1.5
57.03429	1.7
58.62256	1.1
62.88325	1.1
65.03926	1.3
67.05491	29.3
67.34390	1.3
69.03417	2.0
69.07056	21.9
71.04966	2.9
79.05476	67.3
81.03389	6.5
81.07043	26.1
83.04971	6.6
83.08603	20.2
87.39842	1.1
90.26348	1.1
91.05460	39.2
92.09087	3.8
93.07019	24.3
95.04942	9.2
95.08587	17.4
97.06515	8.2
97.10139	16.7
105.04514	1.6
105.07020	43.1
107.04914	8.8
107.08576	100.0
109.06503	8.6
109.10139	7.0
111.08051	2.6
116.98562	1.5
117.07018	7.8
119.06063	1.5
119.08563	18.3
121.06507	1.4
121.10152	8.3
123.08054	2.7
125.09589	11.8
131.08569	8.1
133.10135	17.2
135.08035	2.4
135.11688	2.9
143.08562	2.1
144.90239	1.2
145.10101	10.1
147.11700	9.3
149.09613	8.1
151.11119	1.7
157.10075	1.6
159.11671	5.8
161.09462	1.5
161.13242	2.6
163.11159	2.8
165.09027	1.9
173.13321	2.1
175.11082	1.4
177.12721	1.7
187.11124	1.6
189.11180	9.8
233.17180	1.3
234.90382	1.3
239.17963	2.2
247.20580	1.5
257.18954	6.6
275.20001	50.6
293.21133	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	293.2109
Annotation	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane
Peak:m/z	Relative Intensity
53.03929	0.6
55.01859	2.9
55.05503	5.8
56.73383	0.5
56.96544	0.6
57.07067	26.0
65.03895	0.5
67.05488	6.8
69.07061	4.1
71.01340	1.2
71.08617	5.0
79.05478	8.2
81.03391	1.2
81.07033	5.2
81.85522	0.5
83.04969	5.9
83.08599	2.4
85.02885	1.0
91.05458	4.5
92.08989	4.0
93.07008	3.8
95.04936	10.8
95.08585	3.7
97.06487	2.9
97.10120	0.8
99.08067	2.3
105.07004	3.2
107.04941	7.3
107.08569	3.0
108.05733	2.5
109.02885	2.9
109.06494	3.7
109.10163	1.3
111.04426	16.6
111.08068	2.3
119.08537	2.1
121.06487	10.9
121.10107	3.0
125.05943	4.5
129.05478	0.8
131.08553	1.2
134.66216	0.5
135.04416	3.8
135.08044	3.2
137.02354	1.1
139.03879	1.0
143.03333	0.6
145.10068	2.4
149.09618	1.3
151.11188	1.0
153.05447	11.0
155.03366	1.0
163.03883	3.7
163.11171	2.9
165.12704	5.9
175.07582	0.9
177.09052	2.0
177.12715	1.1
181.04933	13.3
181.12206	2.9
191.10631	12.7
191.14331	0.8
195.10127	7.4
209.11703	19.8
219.10159	3.9
223.13220	0.7
237.11168	31.9
237.14809	1.1
239.44815	0.6
265.17896	0.7
275.20041	2.1
293.21045	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.64970	1.0
53.00292	1.5
53.03932	1.8
53.47445	1.3
55.01866	10.1
55.05508	25.2
56.96558	1.5
57.03429	2.3
57.07064	3.5
67.05495	47.8
67.71189	1.5
69.03435	3.3
69.07053	43.9
70.42256	1.2
71.04965	3.3
77.99911	1.2
79.05466	34.2
81.03382	2.1
81.07042	59.7
83.04977	13.1
83.08601	9.7
85.06554	1.7
91.05454	32.7
92.09077	3.0
92.23277	1.4
93.06420	1.6
93.07023	47.9
95.04954	19.3
95.08601	28.6
97.06515	7.7
97.10164	2.5
101.98740	1.5
103.05483	2.6
105.07020	42.5
107.04916	13.3
107.08581	26.4
109.06509	20.9
109.10140	13.2
111.08023	1.5
117.06977	11.2
119.08563	24.7
120.20247	1.4
121.06486	19.0
121.10148	11.4
123.08054	6.8
123.11672	2.9
129.06993	2.0
131.04893	3.0
131.08549	24.0
133.06487	2.2
133.10114	30.0
135.08052	7.0
135.11670	7.1
141.06964	1.9
143.08492	2.6
145.06479	1.8
145.10141	18.4
147.08083	2.7
147.11694	13.2
149.09561	6.4
149.13231	3.0
151.11154	9.7
152.27211	1.4
155.08569	1.9
157.10141	2.4
159.08072	2.6
159.11676	8.3
161.09625	2.9
163.11124	3.2
169.10008	2.0
171.11681	3.4
173.09642	2.3
173.13258	6.1
175.11172	2.4
183.11653	1.6
187.11230	1.7
191.14191	2.6
201.12643	2.0
207.13788	1.6
210.12476	1.4
215.17978	1.9
219.13712	3.1
225.53255	1.8
228.17212	1.3
239.17902	1.8
247.20567	1.8
252.48582	1.6
257.18866	13.2
275.20013	100.0
293.21024	30.2
299.97192	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34038	1.4
56.03083	1.6
58.13944	1.6
59.77150	1.8
66.96193	2.1
68.10603	1.6
69.46124	1.6
82.29660	2.0
90.61281	1.9
92.09062	4.4
111.01907	2.1
119.01913	2.9
120.02567	5.0
126.86649	2.0
129.03099	4.4
143.21991	2.1
144.73798	2.3
159.10977	2.2
161.03069	2.7
177.67073	1.8
202.05998	3.9
228.75842	2.1
271.30231	2.2
293.06302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79816	1.6
54.81980	1.7
58.99858	2.1
68.06036	1.8
69.03434	2.6
85.02869	2.9
95.05000	2.2
101.00279	1.7
101.00833	16.4
112.89586	10.5
119.01895	96.9
131.01862	4.7
133.03418	4.6
137.02950	44.2
142.01094	25.1
143.01901	16.6
145.03456	41.3
150.91917	28.4
157.02281	3.7
157.03441	48.8
160.02142	51.0
161.02928	100.0
162.03691	2.5
163.04483	9.0
169.03435	26.1
171.04973	7.0
173.02937	11.2
175.04480	76.4
179.03961	3.2
182.03351	2.8
185.02911	19.6
187.04482	65.2
189.02365	4.6
189.06114	4.7
191.02351	2.5
191.03954	9.1
197.02927	4.0
203.03967	12.7
205.05554	10.5
213.06013	3.6
215.00273	2.3
215.03973	13.2
229.05482	11.5
231.46671	2.0
233.05000	2.6
234.23221	2.3
247.06610	15.8
250.91986	15.4
271.75171	2.3
275.06049	92.3
292.92996	37.6
293.07013	28.3
310.93878	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
73.27508	0.2
97.24287	0.2
97.90707	0.3
98.97566	0.3
101.00819	0.4
107.35529	0.3
116.98673	0.3
119.01903	5.1
134.99800	1.5
137.02908	2.2
140.98735	0.4
142.03542	0.6
142.99585	0.3
153.00885	1.2
153.39548	0.3
158.99844	2.5
160.04494	1.2
177.00917	61.1
178.01064	1.4
178.05615	0.6
179.01231	0.4
185.01283	0.5
192.65936	0.3
195.01976	2.2
200.02557	0.6
203.02484	33.5
204.71109	0.3
205.00404	1.4
210.99367	1.4
219.01971	16.2
220.02136	0.4
229.00359	4.5
240.47469	0.3
247.01450	100.0
248.01628	2.1
249.01787	0.3
256.96609	0.6
258.99930	0.6
261.02997	1.6
269.98328	0.6
270.03055	5.1
270.50638	0.4
274.97430	0.4
277.00995	0.6
282.99951	0.7
301.01071	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2315
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.51536	1.7
53.03937	4.1
55.05503	24.3
57.07059	2.4
59.45176	1.6
67.05493	40.0
69.07047	19.5
70.79044	1.8
79.05473	82.0
81.07036	42.0
83.04999	1.9
83.08600	4.7
86.45538	1.8
89.78806	1.9
91.05447	44.4
92.63777	2.0
93.07021	100.0
95.04955	9.6
95.08562	21.1
97.06522	2.5
105.07015	17.7
107.08573	47.0
109.10151	10.9
119.08560	10.3
121.10112	34.5
129.06996	2.9
131.08565	3.4
133.10095	11.7
135.11647	23.3
145.10130	2.7
145.44756	2.4
147.11670	8.3
149.13266	12.6
161.13242	3.5
235.01343	2.0
259.20599	2.5
291.23123	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	291.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.2
53.03929	4.0
54.82784	0.8
55.01850	0.8
55.05503	23.0
57.07056	4.0
59.04981	0.9
60.38582	0.9
61.51520	0.9
67.05495	32.2
69.07051	17.6
79.05475	87.6
81.07037	35.7
81.68209	0.9
83.08611	5.0
85.06541	1.4
85.69778	0.9
90.40614	0.8
91.05455	37.6
92.09116	8.7
93.07022	100.0
95.04944	12.3
95.08578	20.9
97.06510	0.8
97.10154	2.5
105.04494	1.9
105.07008	19.8
107.08578	42.8
109.06500	1.9
109.10158	8.0
117.07052	1.0
119.08552	13.5
121.10110	31.7
129.06973	1.9
131.08525	2.2
133.10107	12.2
135.11662	29.2
137.89503	1.0
143.08589	1.7
145.10109	3.8
147.11664	5.2
149.09586	1.2
149.13217	14.2
157.10139	2.0
159.11676	2.1
161.13263	4.5
163.14819	4.9
171.11714	1.0
173.13255	2.0
175.14775	1.4
230.47540	1.3
235.16908	1.6
259.20578	2.4
273.73450	1.1
291.23138	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.2
53.03929	4.5
53.63880	1.0
55.01875	1.4
55.05505	24.7
57.07074	1.9
59.04996	1.3
64.52859	1.0
67.05493	32.3
68.05237	1.0
69.07053	18.0
79.05476	74.2
81.07043	37.8
83.04964	2.3
83.08592	4.9
89.79111	1.0
91.05470	28.8
92.12604	1.0
93.07024	100.0
95.04953	12.2
95.08598	24.6
97.06499	1.8
97.10204	3.5
105.04488	2.4
105.07008	17.0
105.39505	1.2
107.08582	40.5
109.06487	1.7
109.10127	10.3
110.46785	1.0
111.08057	1.2
117.06994	4.4
119.08587	10.5
121.10118	28.2
123.11703	2.1
129.06969	1.7
131.08548	4.6
133.10085	8.2
135.11670	24.4
143.08580	1.9
145.10132	1.8
147.11656	6.6
149.13254	14.0
159.11684	5.1
161.13196	4.5
163.14795	1.8
171.11653	4.2
175.14793	1.7
213.16260	1.5
241.19536	2.5
249.18558	1.1
259.20499	2.6
291.23126	24.7
302.93924	1.1
305.92191	1.3
307.57227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.83338	0.9
53.00304	0.9
53.03943	4.4
55.05506	17.5
57.07054	3.8
58.02945	1.2
66.83002	1.0
67.05145	1.4
67.05490	35.1
69.07048	14.6
71.04944	1.2
71.16228	1.0
79.05474	79.2
81.06602	1.9
81.07040	37.0
83.08601	7.2
85.06538	2.0
91.05455	37.6
92.08811	3.8
92.09311	1.3
93.07022	100.0
95.04936	10.3
95.08586	24.1
97.06493	1.9
97.10117	1.9
105.04469	2.2
105.07021	17.9
107.08574	42.2
109.06588	1.4
109.10131	11.0
111.08080	1.3
117.07002	2.6
119.08555	10.4
121.10119	32.4
123.11647	1.5
129.07103	1.1
129.84517	1.1
131.08553	5.8
133.10078	14.4
135.11664	34.9
143.08513	1.3
145.10057	2.0
147.11681	6.8
149.13231	12.8
159.11646	1.6
161.13167	4.5
163.11194	1.7
163.14868	3.8
165.42966	1.0
173.13202	1.9
175.14793	2.4
185.13187	1.2
191.10748	1.2
241.19450	1.5
259.20462	2.3
291.23117	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03938	4.7
55.01862	22.4
55.05505	77.3
57.03411	4.3
62.78947	4.7
63.93983	4.3
67.05497	52.4
67.48331	4.5
68.76258	4.2
69.03416	10.0
69.07053	20.5
71.04973	7.8
79.05475	70.5
81.03384	5.7
81.07042	77.8
81.23570	4.2
83.04951	17.0
83.08604	25.8
91.05461	79.7
92.08996	9.8
93.07036	48.3
95.04967	11.5
95.08581	10.4
97.10148	9.4
105.07022	47.8
107.04926	24.0
107.08587	29.0
108.10303	4.2
109.06541	9.0
109.10113	9.7
117.07006	35.7
119.08562	100.0
121.06512	20.4
121.10118	10.0
123.08025	8.0
125.09612	19.4
129.06981	21.4
130.06558	5.1
131.08577	32.8
133.10054	9.9
135.08012	18.3
137.09677	4.3
143.08589	11.5
145.10129	22.6
146.41728	5.4
147.08032	34.4
149.09567	7.9
153.78517	4.4
161.09613	7.2
163.11145	6.1
189.11191	6.2
223.25761	5.2
273.18378	57.2
282.38510	5.1
289.76450	4.7
291.19489	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03924	0.7
55.01854	3.3
55.05505	10.8
55.62539	0.4
59.04967	0.5
67.05499	6.4
67.46572	0.4
69.03415	0.7
69.07056	5.4
71.04966	1.0
72.06442	0.4
79.05480	9.7
81.03410	0.7
81.07049	9.9
83.04958	2.0
83.08613	5.5
85.06555	0.6
91.05463	9.5
92.09264	1.3
93.07024	8.6
95.04958	5.5
95.08582	4.1
97.10126	4.1
105.07010	9.1
107.04928	4.1
107.08572	4.4
108.05688	0.6
109.06510	0.9
109.10130	3.0
116.06200	0.5
117.07030	4.1
119.04926	3.0
119.08552	5.4
121.06451	2.2
121.10113	2.1
123.08042	2.5
125.09615	2.2
129.07007	1.1
130.07716	1.1
131.08574	4.6
133.06453	6.2
133.10103	2.2
134.07227	1.1
135.08006	1.0
137.09657	0.9
143.08545	2.0
145.09119	0.5
145.10106	2.9
147.08032	4.9
149.09601	1.9
155.89832	0.6
157.10014	0.7
159.11482	0.5
161.09612	1.1
162.10376	3.0
163.11147	0.7
164.29120	0.5
175.11156	1.1
223.13298	1.1
249.14851	5.2
261.14874	0.6
273.18472	2.2
278.73904	0.5
291.19492	100.0
292.20227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03895	0.8
55.05500	8.7
57.07056	7.7
58.37944	0.9
59.04987	2.4
59.16860	0.9
67.05494	8.5
69.03397	2.2
69.07053	2.2
70.06573	6.3
70.79277	0.9
71.04973	6.7
71.06908	1.0
75.54665	0.9
79.05458	9.8
81.07034	12.2
83.04971	4.0
83.08588	5.9
85.02866	1.2
85.06517	4.9
88.07607	10.9
91.05463	11.8
92.08704	2.3
92.09241	2.5
93.07016	21.0
95.04951	8.2
95.08573	21.4
97.06521	5.2
102.09161	2.3
105.07006	23.7
107.04948	10.0
107.08571	17.4
109.06502	17.4
109.10139	6.3
111.04318	1.2
111.08054	26.8
113.09661	1.1
117.06979	6.2
119.08543	17.4
121.06500	1.3
121.10130	11.5
122.07246	1.4
123.08040	48.0
125.09619	1.3
128.06189	1.5
129.06987	2.5
130.07813	2.3
131.08545	12.3
133.06470	4.8
133.10081	13.6
135.08046	9.6
135.11658	4.1
137.09579	6.7
141.06963	1.3
142.07765	2.2
143.08557	7.2
144.09294	1.7
145.10091	24.1
147.08040	4.8
147.11688	13.7
149.09587	6.4
151.07512	100.0
155.08537	1.2
155.10614	2.0
156.09314	6.6
157.10115	9.1
158.10791	1.4
159.08022	4.7
159.11661	7.9
161.09467	1.2
161.13217	3.9
163.11189	2.1
169.10155	3.9
170.10982	1.2
171.11678	6.6
172.12354	1.4
173.09555	1.6
173.13138	8.4
174.10347	2.1
175.11162	5.8
177.09071	1.4
177.12709	1.7
179.10580	1.9
182.10838	4.6
187.11160	1.9
187.14763	2.6
189.12715	26.5
191.14252	8.9
192.11382	6.0
195.11664	1.4
197.11691	6.4
197.13159	3.3
203.14287	1.3
207.13747	44.6
213.16333	2.5
215.14258	7.3
217.12032	1.5
228.23148	11.3
229.23473	5.1
231.17336	1.6
233.15282	16.5
239.09454	1.3
255.17274	2.0
273.18381	5.0
290.26849	14.0
291.19455	28.3
291.27136	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	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03941	1.8
55.01857	7.0
55.05505	30.5
56.96540	1.2
57.03431	1.5
62.49649	0.8
63.13538	1.0
67.05492	20.4
69.03418	2.4
69.07068	8.8
71.04971	2.1
79.05473	26.9
81.03401	2.6
81.07047	20.5
82.07398	1.0
83.04980	4.7
83.08638	9.5
85.06479	1.1
88.07593	2.1
90.18818	1.0
91.05466	21.2
93.07028	18.2
95.04939	10.4
95.08607	9.0
97.06517	1.1
97.10162	11.0
105.07014	14.4
107.04942	7.2
107.08576	11.0
109.06549	3.9
109.10163	2.3
111.08041	1.0
115.05432	1.2
117.07011	9.4
119.04909	2.4
119.08562	17.8
121.06481	4.8
121.10133	4.1
123.08038	1.2
125.09616	5.7
129.06969	4.4
131.08569	9.9
133.06461	5.4
133.10083	4.4
135.08029	4.4
135.11646	2.1
141.07095	1.1
142.07762	1.2
143.08527	4.7
145.10110	7.5
147.08014	10.9
147.11703	1.3
149.09563	1.5
157.10127	1.8
161.09602	4.2
163.11188	1.7
175.11281	1.6
189.11053	1.3
191.10620	1.8
192.10950	1.3
223.13281	2.6
249.14793	2.1
273.18527	10.8
291.19495	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	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.81413	0.8
55.01855	1.5
55.05507	22.4
57.07065	3.7
59.04991	2.2
67.05499	11.0
69.03421	4.4
69.07048	2.0
71.04976	7.9
79.05045	1.6
79.05470	23.1
81.07033	12.3
83.04962	4.3
83.08601	15.9
83.25572	0.8
85.02875	2.4
85.06518	3.8
91.05452	9.9
92.08553	1.8
92.09143	4.7
93.07019	14.7
95.04937	9.7
95.08587	28.9
97.06522	10.8
98.97528	1.1
105.07008	15.3
106.00742	1.0
107.04945	36.9
107.08576	16.8
109.06485	11.0
109.10123	4.3
111.07310	1.5
111.08071	39.5
113.09617	4.4
117.07030	1.7
119.08562	20.9
121.06477	4.1
121.10123	12.9
122.07255	1.9
123.08051	52.3
125.09584	4.4
129.07005	1.0
131.08572	11.9
133.06471	3.8
133.10117	13.0
135.08037	8.2
135.11665	3.8
137.09595	4.0
142.07719	1.2
143.08553	5.1
145.10081	8.2
147.08057	5.0
147.11696	9.9
149.09558	12.1
149.13257	2.0
151.07520	100.0
155.10637	5.5
155.93452	1.0
156.09285	2.3
157.10110	9.4
158.10826	1.7
159.08044	1.7
159.11630	1.0
160.08856	1.1
161.09558	2.4
163.11206	2.4
165.09126	0.9
169.12126	1.1
171.11678	4.8
173.09589	0.9
173.13199	10.8
174.10374	1.3
175.11148	9.9
179.10703	1.7
182.10771	1.0
189.12711	29.1
191.10675	1.2
191.12526	1.2
191.14275	36.1
192.11397	5.4
197.11697	6.9
197.13261	1.8
197.23822	0.9
202.10649	0.9
207.13762	49.1
211.48531	1.0
213.16359	1.5
215.14273	2.4
217.12128	1.5
229.23271	1.1
233.15311	69.0
249.18451	1.4
255.17380	1.5
273.18417	4.5
291.19470	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	291.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80460	0.5
53.03947	0.5
55.01866	0.9
55.05507	11.6
57.03407	0.9
57.07058	0.8
59.04961	0.5
67.05495	49.9
68.99794	1.1
69.03420	1.0
69.07053	3.6
71.04978	4.9
72.48856	0.5
76.53698	0.5
76.71907	0.5
78.57658	0.5
79.05476	7.3
81.07040	100.0
83.04948	0.9
83.08598	2.8
85.06535	5.7
87.00812	22.9
87.04460	0.6
91.05479	6.2
92.08968	0.7
93.07008	5.0
95.04924	2.3
95.08591	4.8
97.10118	1.2
98.97595	0.9
105.01863	3.4
105.07014	9.5
107.08586	5.9
109.06525	5.7
109.10139	7.7
119.08572	0.8
123.10783	1.5
123.11684	42.1
133.10100	10.9
141.12724	13.9
151.11179	17.4
159.09200	0.8
159.13826	2.4
169.12233	4.0
187.13235	5.5
227.12749	2.4
255.12225	1.4
273.13333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0972
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
52.91827	0.4
61.59476	0.5
62.65974	0.5
68.99768	0.7
75.51377	0.5
78.77791	0.4
79.70417	0.4
81.07041	0.6
87.00817	2.2
88.03960	1.0
91.05496	0.7
92.08773	2.6
97.65099	0.6
103.05409	0.5
111.27531	0.5
115.05431	5.6
117.05744	1.1
118.06511	13.7
129.07047	0.8
130.06500	90.9
132.08061	47.1
135.34756	0.5
142.06491	14.2
143.07266	2.3
144.08084	6.8
146.05989	22.3
154.06471	0.7
156.08054	5.8
157.07573	6.2
158.06039	0.6
158.08359	6.2
159.09145	100.0
160.07535	9.1
167.05994	1.0
169.07565	2.4
170.05971	35.0
171.09142	0.7
172.07576	1.1
181.07591	2.7
182.05974	1.2
183.09137	6.3
184.07549	14.6
185.07071	50.6
187.08693	2.3
188.07027	27.6
199.08603	1.3
200.07014	10.2
201.10234	8.8
205.09618	0.7
209.07056	1.2
227.08105	30.0
229.09663	1.0
231.07668	0.9
245.09149	39.8
255.07523	2.3
268.24088	0.6
273.08691	5.8
291.09634	2.0
299.26880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05825	1.1
53.03932	5.7
55.01624	1.9
55.01864	31.7
55.05510	13.4
57.03424	14.9
59.04990	11.0
60.04486	1.3
61.02914	15.6
61.98008	1.2
67.05489	5.9
69.03416	33.1
69.07039	12.1
70.06584	1.4
71.04975	100.0
73.02905	8.7
81.03397	12.1
81.07036	2.1
83.01311	1.5
83.04958	6.1
83.08601	28.2
85.02886	85.1
85.06540	1.6
86.09687	9.7
87.04440	2.9
87.10041	2.0
91.03957	5.0
91.05462	1.4
92.09163	1.3
93.07027	7.3
95.04951	9.9
95.08600	9.2
97.02879	28.0
99.04451	6.4
109.02877	9.7
109.06461	1.9
109.29045	1.2
111.08062	53.6
113.06030	1.9
113.09637	5.4
127.03874	11.4
129.05455	11.2
129.09088	60.6
145.04941	6.0
173.12903	2.2
210.92464	1.8
218.86665	1.3
223.33366	1.4
227.11842	2.5
257.95511	1.3
267.83755	1.3
273.12314	5.1
291.13602	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	291.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52537	0.4
53.29646	0.4
54.82211	0.4
56.06794	0.4
67.76556	0.4
68.99769	0.7
87.00821	2.2
88.03989	0.9
92.09227	0.5
105.07020	0.6
107.08587	0.5
115.05435	5.5
117.05745	2.5
117.06983	0.6
118.06516	14.2
129.07002	1.7
130.06508	93.6
132.08067	46.3
142.06511	13.8
143.07256	0.8
144.08072	7.4
146.05991	20.9
154.06514	0.8
156.08034	5.4
157.07573	6.2
158.06027	0.7
158.08347	6.5
159.09146	100.0
160.07570	10.4
167.06058	0.9
169.07588	4.7
170.05980	33.3
170.66377	0.5
171.09120	0.6
172.03874	0.6
172.07515	1.9
181.07564	2.8
182.05930	0.9
183.09154	5.4
184.07549	14.2
185.07068	50.1
187.08601	2.5
188.07037	26.7
199.08733	3.3
200.07045	9.2
201.10225	8.5
209.06898	1.5
213.06512	0.6
227.08124	28.7
229.09622	0.9
231.07585	0.9
245.09164	40.3
255.07384	1.6
273.08649	6.5
291.09528	2.0
310.77515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13063	1.2
52.51181	1.1
53.03932	1.4
55.01851	2.4
55.05499	6.6
56.96545	6.2
58.06599	3.1
61.02906	3.7
63.69506	1.2
67.05466	2.3
68.02630	2.1
69.03409	25.5
69.57388	1.3
70.06568	3.4
71.04961	3.3
72.08129	1.5
74.39629	1.5
79.01831	2.5
81.03389	6.3
83.04961	13.7
83.08597	1.7
84.04498	3.3
84.08122	1.7
85.02882	37.4
86.03211	2.5
86.09676	7.7
91.03908	2.6
92.08814	5.4
92.09300	1.8
93.94616	1.5
95.04910	1.5
97.02866	86.1
98.97550	2.6
99.04439	2.3
109.02850	2.6
110.06032	2.5
110.07185	2.0
111.04424	16.0
111.06342	1.7
111.08044	2.1
116.98600	1.9
118.64800	1.5
119.44252	1.4
120.08066	2.5
127.03910	7.9
128.04259	1.5
128.07053	1.6
129.05449	100.0
129.10150	1.7
139.03995	1.4
144.13815	9.7
145.04927	3.4
158.76042	1.6
161.01201	2.6
221.61296	1.4
238.52345	1.6
271.06497	1.5
291.08234	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.03913	0.6
55.01863	1.5
55.05499	0.9
57.03421	0.6
61.02913	0.6
65.03923	1.0
65.18436	0.6
67.05486	3.8
68.87645	0.5
68.88977	0.6
68.99766	2.8
69.03410	1.1
71.04958	1.3
81.03381	0.9
81.07050	1.0
83.04998	2.0
84.08105	0.7
85.02889	4.7
85.06520	0.8
91.05455	4.0
92.36527	0.6
93.03383	1.5
93.07040	0.8
95.04948	6.0
95.08576	0.8
97.02876	1.4
105.07039	0.8
107.04927	0.9
109.06485	0.8
111.04416	3.7
111.08049	1.3
114.14466	0.7
115.05421	1.6
119.04917	7.7
121.02781	0.9
123.04408	69.7
127.03853	1.0
129.09132	1.2
133.06476	1.5
134.99776	0.6
137.02264	1.0
137.05920	0.8
139.03885	100.0
143.04924	4.0
146.05928	0.9
147.04390	26.0
151.03874	3.2
153.05475	0.9
161.05968	12.5
162.12894	0.8
163.03856	1.1
165.05453	10.6
169.04752	0.6
177.05412	0.9
179.07024	3.8
185.74333	0.6
189.05431	3.4
199.12450	0.8
207.06461	6.8
231.11150	0.9
246.18671	0.6
262.74121	0.6
273.12161	4.6
291.08511	4.5
291.13406	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.01868	2.7
55.05505	2.4
56.05016	2.1
56.96561	2.6
57.03424	7.1
60.05635	1.8
61.02917	18.1
65.16358	1.0
65.23321	1.1
69.03410	30.5
69.07024	1.5
70.02927	1.4
70.06571	12.4
71.04982	2.4
72.08131	12.6
73.02886	6.3
74.06054	10.7
80.13602	1.0
81.03394	12.2
82.06564	1.3
84.04483	2.3
84.08124	13.9
85.02885	100.0
86.06062	2.6
86.09679	14.5
87.04450	1.9
91.03936	7.0
92.08780	2.5
97.02870	27.1
98.97571	5.5
99.04462	2.3
100.07594	1.8
101.07103	2.0
109.02853	8.2
110.06045	7.8
112.07623	1.2
112.08655	1.1
116.98589	2.3
119.04995	1.1
120.08077	8.6
127.03871	18.4
128.04234	1.7
128.07047	11.8
128.10648	2.2
129.10179	2.1
134.99612	1.6
136.07614	1.5
145.04939	25.0
157.13408	1.5
163.06030	5.4
173.12843	6.9
177.05525	1.5
180.08653	7.0
193.13480	1.2
201.12257	1.3
248.07982	1.4
267.68149	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32830	6.5
53.05241	7.1
59.46184	7.2
59.74468	7.6
81.57879	8.3
92.08942	9.7
119.01937	15.9
124.26184	8.5
129.46321	8.3
138.41241	8.1
161.02852	9.7
177.49835	8.6
189.70905	8.3
194.07036	12.2
195.89586	7.7
291.08130	100.0
291.11139	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	289.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	44.8
57.07050	16.4
59.05009	69.8
67.05484	16.4
69.07050	10.9
72.19777	8.0
81.07028	17.6
81.88972	10.0
83.10484	7.3
85.06541	100.0
91.05446	18.4
92.08950	18.2
93.07011	51.9
95.04982	12.4
95.08587	19.8
99.08064	12.3
99.28581	10.0
105.07007	15.3
107.08578	10.0
110.46462	9.1
119.08549	16.5
124.36868	8.7
125.09560	45.5
131.08539	36.4
133.10095	13.5
139.77081	8.5
142.07741	16.9
147.11652	12.9
157.10124	51.8
158.10924	11.0
159.11627	32.9
168.09311	9.9
169.10080	13.6
173.13185	35.5
183.11682	34.8
204.37270	8.7
239.17873	11.9
257.18872	8.9
259.17029	9.6
274.77725	10.2
289.21500	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	56.3
55.64260	5.1
56.78786	5.8
57.07064	9.3
59.04992	67.1
67.05495	14.7
69.07050	9.6
79.05470	10.1
81.07030	25.3
83.04968	6.9
85.06524	100.0
91.05452	30.7
92.09007	47.7
93.07024	47.0
95.04911	6.1
95.08578	44.7
99.08064	8.5
105.07001	24.3
107.08578	8.0
117.07019	6.5
118.61627	5.4
119.08580	14.0
125.09583	36.4
129.07013	7.6
131.08536	32.3
133.10107	12.2
137.09656	6.5
142.07791	14.7
143.08553	24.8
144.09326	6.5
144.30441	6.4
145.10022	11.2
147.11664	8.5
157.10072	33.3
158.10849	12.1
159.11612	29.0
168.09167	6.8
171.11679	6.8
173.13214	39.6
174.58960	6.4
183.11671	26.5
197.13205	10.9
199.14699	10.6
209.13348	8.0
239.18047	8.7
259.16797	7.7
289.21545	72.0
296.19028	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	289.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44804	1.4
53.57120	1.5
55.05502	27.7
57.07058	3.6
67.05494	27.0
67.27261	1.7
69.07060	15.7
79.05478	26.6
81.07047	32.7
83.08612	9.1
85.06557	6.0
91.05466	78.7
91.06004	3.5
92.08588	4.3
92.09206	15.3
93.07028	24.4
95.04952	2.2
95.08573	26.1
105.07014	100.0
107.08592	17.3
109.10145	8.7
115.05478	1.9
117.06994	23.0
119.08564	82.4
121.10141	8.3
128.06160	2.2
129.07002	8.5
131.08556	33.7
133.10100	42.5
133.11021	2.5
135.11621	2.5
141.06923	2.0
143.08559	4.5
145.10123	28.9
147.11674	33.8
157.10077	3.4
159.11670	22.0
161.13243	10.6
169.10106	4.3
170.65121	1.9
173.13237	10.5
183.81575	1.8
185.13066	2.1
197.13383	2.0
215.17773	2.7
239.17970	2.4
257.18997	9.8
289.21545	78.9
295.09763	2.1
300.52435	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	56.0
57.07061	21.8
59.04983	70.1
64.33820	12.8
71.91489	10.4
81.07010	15.1
85.06533	100.0
86.52949	11.7
91.05441	52.9
92.08782	26.6
92.09273	20.5
93.07015	19.9
95.08569	25.7
105.07052	18.8
109.10133	16.5
112.84147	15.0
131.08553	29.9
133.10127	19.0
153.47710	14.6
157.10098	48.1
158.10838	20.8
160.11305	12.3
173.13289	46.4
183.11668	26.6
197.13216	27.2
289.21634	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1796
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
51.18117	1.7
53.03934	2.7
55.01851	10.7
55.05500	37.4
57.03428	100.0
67.05493	26.2
69.03394	2.8
69.07045	17.2
71.04980	2.2
73.22883	1.9
79.05047	3.8
79.05474	57.7
81.03396	8.4
81.07034	31.9
83.04956	4.3
83.08595	13.4
85.06516	2.3
91.05463	48.5
92.09075	11.1
93.07023	30.4
95.04956	18.3
95.08588	19.0
97.06477	8.5
97.10160	8.0
105.03400	4.7
105.07013	45.4
107.04926	37.9
107.08573	26.8
109.02852	3.4
109.06477	9.9
109.10138	4.7
111.08083	3.7
115.05449	5.0
117.06998	32.8
119.04884	2.2
119.08558	57.2
121.06483	25.9
121.10112	9.9
123.33652	2.4
125.05975	3.1
125.09615	13.5
129.06964	10.1
129.29222	2.3
131.08533	21.2
133.06476	9.4
133.10123	15.1
135.08012	21.1
135.11641	4.5
137.05905	2.5
137.09544	3.6
143.08560	3.0
144.05679	3.3
145.06450	20.5
145.10156	19.2
147.08022	12.1
147.11652	4.3
149.09634	2.8
153.09038	2.6
155.08597	3.6
157.10071	5.1
159.08032	62.9
159.11613	3.4
161.09563	10.7
163.07552	2.9
163.11108	2.9
169.10048	3.4
171.11583	4.0
173.09578	10.3
175.11174	2.8
177.09073	13.3
184.75755	1.9
193.12300	3.5
199.11215	2.3
215.14207	3.0
233.15376	17.9
243.17468	2.3
253.15797	8.1
261.18463	3.8
271.16843	37.9
289.17938	87.5
289.21207	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	289.0916
Annotation	Dianthoside
Peak:m/z	Relative Intensity
50.12199	0.4
53.03937	6.2
54.89068	0.4
55.01863	1.0
57.03428	3.8
61.02914	3.4
67.05476	0.8
69.03408	9.2
70.06555	3.5
71.01328	1.2
71.04974	4.4
72.08133	0.9
73.02905	2.0
77.69047	0.4
81.03410	13.1
81.04514	17.1
81.26243	0.5
83.04972	0.8
84.08137	1.0
85.02882	12.7
86.09691	1.1
92.08870	0.7
95.04929	0.9
97.02869	7.9
98.97598	0.8
99.04436	9.2
101.00841	0.9
109.02856	19.3
110.91097	0.5
111.04438	0.8
112.08802	0.5
115.02505	0.5
116.07046	0.6
116.98608	0.6
119.01895	7.3
123.04398	1.9
127.03904	100.0
127.04997	18.8
130.06540	3.1
131.01878	1.0
133.03441	2.0
134.03583	0.4
137.02991	1.0
144.10220	0.9
145.04938	0.9
147.01407	0.9
149.03000	0.5
151.03830	0.6
151.25836	0.5
157.07579	3.8
158.06004	3.0
159.09120	0.5
161.02998	1.9
163.04366	0.6
185.07146	0.8
187.00781	0.6
189.02426	0.5
191.04063	0.7
199.06088	0.5
207.03503	0.6
219.03447	0.6
229.01978	0.6
229.05031	0.5
247.02974	0.6
280.96863	0.5
289.04016	0.9
289.09271	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.9
53.59200	0.5
55.01862	3.4
56.46055	0.4
57.03417	3.2
61.02916	2.6
69.03416	7.9
70.06575	3.7
71.01339	2.4
71.04978	5.5
72.08132	1.0
73.02893	1.1
81.03406	15.6
81.04517	15.3
83.01312	0.7
83.04977	1.1
84.08103	1.9
85.02885	11.0
95.04929	0.6
97.02866	8.1
99.04429	10.9
101.00834	0.9
103.02380	0.8
109.02863	25.0
109.03601	0.9
111.04431	0.9
113.02402	0.7
116.07049	0.5
119.01880	5.9
123.04408	0.9
127.03892	100.0
127.04995	20.8
130.06503	5.7
131.01923	1.0
132.04425	2.8
133.03455	2.7
134.03571	0.6
135.05141	0.6
137.02925	0.7
139.03870	0.5
143.01904	0.6
145.04962	1.8
147.01352	1.1
157.07578	6.2
158.05998	6.4
159.09148	1.3
161.02937	2.0
171.00781	0.5
173.02974	0.5
174.03273	0.6
185.07101	1.2
188.08179	0.6
190.72343	0.5
207.03531	0.8
215.00362	1.0
223.06166	1.0
240.44147	0.6
241.07249	0.6
289.08969	2.8
289.13446	0.6
289.17706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1793
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
53.03925	2.7
55.01866	10.7
55.05504	36.1
56.05018	2.9
57.03182	2.1
57.03430	41.7
57.07051	9.7
58.06568	2.6
67.05492	25.4
69.07054	15.8
71.04967	1.6
71.08592	2.2
74.06050	3.1
75.05563	1.5
79.05473	33.3
81.03390	6.9
81.07038	30.6
83.04956	6.9
83.08597	13.1
88.07610	18.9
89.07125	8.2
91.05458	30.5
92.08833	11.7
93.07001	14.7
95.04940	8.1
95.08576	15.4
97.06495	1.8
97.10143	11.4
99.04404	1.6
102.09121	1.6
103.08681	2.4
103.97112	1.3
105.03401	1.8
105.07014	19.2
106.08585	1.6
107.04929	14.1
107.08566	17.6
109.06498	8.8
109.10131	8.7
115.05444	2.8
117.06967	11.2
119.08565	26.3
120.08916	1.6
121.06470	10.7
121.09653	18.4
123.04388	2.2
123.08056	1.8
123.11774	1.4
125.09561	1.9
128.06166	2.3
129.06961	6.5
131.04901	5.9
131.08580	10.7
133.06490	2.0
133.10071	8.3
135.08031	12.4
135.11658	2.6
143.08551	2.8
144.05666	1.9
145.06467	8.9
145.10062	5.9
147.08017	8.6
149.09569	3.3
149.13242	1.6
151.11121	1.5
155.08472	1.8
157.10139	3.2
159.08026	44.2
159.11613	1.6
160.08806	11.8
161.09604	6.4
163.07465	2.0
171.11577	2.0
173.09589	6.9
177.09126	3.3
213.23251	2.3
215.14290	3.5
217.19447	2.2
233.15398	10.3
242.00560	1.8
242.24770	5.7
243.17346	1.8
245.25806	2.2
248.38225	1.6
253.15765	2.0
271.14420	2.4
271.16913	26.0
288.29044	10.2
289.17917	100.0
289.25436	3.7
289.28635	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	289.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54319	0.6
54.81755	0.6
56.69740	0.6
56.96531	0.7
60.05632	0.6
61.14811	0.5
61.86651	0.7
65.91668	0.6
67.05489	1.2
67.64056	0.5
67.70179	0.6
68.99776	1.5
70.02937	8.8
70.06571	10.0
71.06902	0.8
72.08134	1.5
78.34245	0.6
81.07040	0.8
82.02914	1.4
84.08118	12.4
85.08434	1.2
86.09724	0.7
87.07927	0.6
94.06520	1.0
95.04983	0.7
97.59463	0.7
109.06544	1.0
110.02397	1.5
112.03963	12.8
112.08731	1.4
121.01631	1.5
123.04423	1.2
127.90556	0.6
129.10181	1.0
130.05510	1.4
130.06497	42.7
132.04419	65.0
132.08057	0.8
141.64177	0.6
144.42416	0.6
146.05965	3.5
153.33595	0.8
157.07581	17.0
158.05980	48.6
169.07652	0.6
173.07069	22.7
173.08502	1.1
174.05461	0.8
175.08609	9.6
183.49277	0.6
188.40236	0.6
198.05553	1.2
199.06081	0.6
200.03406	3.7
201.06523	5.0
219.07680	0.9
225.06628	1.0
226.05103	0.9
243.07587	100.0
288.65289	0.8
289.08154	15.6
289.12503	17.0
290.01172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0916
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03926	0.3
55.01852	0.2
57.03424	0.7
59.22782	0.1
61.02913	1.6
69.03417	2.2
71.04971	0.2
73.02903	0.3
81.03390	1.1
85.02891	5.1
89.57478	0.1
91.03929	0.2
92.08957	0.3
97.02877	1.6
99.04388	0.2
109.02901	1.1
118.93461	0.2
127.03895	100.0
128.04204	0.2
141.52162	0.2
145.04990	0.5
157.07614	0.2
257.32117	0.2
289.09460	0.2
289.12506	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98575	1.8
55.01868	23.0
55.05487	9.1
57.07067	28.4
67.05491	45.5
67.40646	2.0
69.03410	3.6
69.07069	6.6
70.06586	25.4
71.08607	10.7
75.86638	2.1
77.76396	2.0
79.05466	11.2
81.03391	15.6
81.07040	34.0
83.04956	4.2
83.08579	2.5
85.06524	4.1
85.10175	2.5
88.07616	38.6
91.05467	59.5
92.08879	14.1
93.07003	12.2
95.04928	3.6
95.08536	2.6
102.09135	3.7
105.06997	33.1
106.08652	22.4
107.04926	2.4
107.08616	16.9
109.10151	35.3
117.07020	5.5
119.08545	17.6
123.11671	16.0
133.10106	88.2
137.09596	4.2
143.08504	5.3
151.11151	50.8
161.09584	38.9
179.10641	20.2
183.13873	2.7
189.09082	5.3
193.12155	3.6
197.11778	3.5
207.10048	5.7
211.13268	5.2
215.12762	3.2
221.11710	49.7
229.14299	2.6
239.12778	20.3
257.13794	28.6
270.27850	5.1
271.15237	3.2
288.25751	5.7
288.28906	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	288.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66466	1.6
50.79125	1.6
51.45373	1.8
51.63548	1.5
55.01864	16.9
55.05494	3.1
56.96556	1.6
57.07064	33.2
67.05486	25.6
69.07050	3.0
70.06573	21.6
71.08604	4.7
79.05477	4.6
81.03374	12.1
81.07027	23.5
83.04940	7.6
85.06516	2.2
87.61576	2.0
88.07607	28.4
91.05457	35.0
93.07012	10.7
95.04952	3.3
95.08580	4.1
97.49104	1.9
102.09132	2.5
104.99267	2.2
105.07005	24.7
106.08652	25.0
107.08569	16.8
109.02853	2.4
109.10142	17.9
115.03873	2.7
117.06976	4.5
119.08563	8.3
119.61855	1.8
123.11655	7.6
127.03848	2.2
131.08539	2.7
133.10104	54.9
137.09558	3.4
143.08569	3.7
151.11160	33.6
161.09592	31.5
179.10629	13.9
189.09116	4.4
193.12231	2.2
204.83598	2.2
207.10165	3.8
211.13235	4.8
221.11633	35.0
239.12701	12.9
250.27400	2.0
252.18779	2.4
257.13727	11.3
270.27789	8.5
288.25610	4.5
288.28882	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	287.2365
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
51.36972	0.9
53.03931	2.8
55.01857	1.6
55.05504	20.9
56.31783	1.2
57.07061	5.7
62.53530	1.0
65.03922	1.3
67.05489	42.3
69.03400	1.9
69.07057	27.7
71.04988	1.7
79.05467	38.1
81.07038	100.0
83.04961	1.5
83.08597	8.6
85.06488	1.7
85.68590	1.0
91.05453	29.5
92.09134	9.1
93.07024	76.3
95.04955	7.8
95.08588	60.8
97.06512	2.8
97.10143	2.5
102.94128	1.2
105.03371	1.2
105.07017	70.2
107.08575	58.9
109.06499	6.0
109.10141	60.6
109.10857	2.6
111.08078	5.0
117.07014	7.6
118.42769	1.1
119.08556	56.9
121.10116	37.0
123.08032	4.8
123.11701	12.7
129.07024	5.3
130.07779	2.2
131.08534	23.0
132.14893	1.3
133.10098	31.9
135.11665	15.9
137.13213	1.3
142.07750	2.6
143.08537	12.4
144.09358	5.0
145.10101	35.3
147.11670	24.7
149.13232	22.6
151.11185	2.3
156.09421	1.6
157.10104	16.2
158.10873	1.3
159.11656	30.2
161.13213	13.0
163.11185	1.6
163.14822	5.0
171.11681	9.6
173.13184	16.6
175.14821	10.8
177.16411	2.2
185.13240	8.3
187.14810	8.3
189.16310	2.3
199.14781	7.8
201.16391	8.6
213.16342	12.3
215.17989	1.4
225.78535	1.1
227.17926	5.6
229.19492	7.9
269.22598	21.8
287.05460	5.0
287.23630	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	287.2365
Annotation	Retinol
Peak:m/z	Relative Intensity
53.03930	2.1
54.82123	1.7
55.05492	20.1
56.96556	1.4
57.07066	3.0
60.10372	1.4
64.67831	1.7
67.05484	27.1
67.76436	2.0
69.03410	3.1
69.07050	22.0
71.04999	1.6
79.05470	25.8
81.07034	100.0
83.08603	4.0
91.05454	18.1
92.09055	2.2
93.07024	74.6
95.04936	3.5
95.08581	67.9
97.06502	4.1
97.10154	2.5
98.97574	2.0
105.03347	2.1
105.07015	53.4
107.08572	59.1
109.06475	4.3
109.10139	30.6
111.08060	3.5
115.92704	2.1
117.06999	3.7
119.08553	52.7
121.10129	56.2
123.08061	2.6
123.11691	17.2
123.70271	1.9
129.07004	2.5
131.08513	15.2
133.10092	25.0
135.11711	15.0
137.09587	3.0
139.65752	1.8
142.07695	3.6
143.08540	10.8
145.10136	25.5
147.11668	25.7
149.13257	24.6
151.11111	3.2
153.01764	2.5
156.61076	1.9
157.10089	12.9
158.10901	3.4
159.11641	24.8
161.13217	17.3
163.11179	3.4
163.14787	3.3
165.12822	3.0
171.11649	11.0
173.13220	16.8
175.14783	18.3
185.13240	4.1
187.14832	8.5
189.16284	3.2
199.14781	10.6
201.16385	13.7
205.15976	2.3
213.16364	10.2
227.17773	7.2
229.19516	9.4
235.77661	1.9
259.24240	2.2
269.22620	38.4
287.05338	22.7
287.20435	3.8
287.23627	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2367
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
53.03924	2.7
54.81340	1.6
55.01861	1.7
55.05507	24.8
57.07060	3.4
67.05493	36.4
69.03413	7.0
69.07052	29.8
79.05055	2.4
79.05479	38.1
81.07042	100.0
83.04958	3.6
83.08590	11.0
83.74674	1.8
85.06525	2.2
91.05462	25.4
93.07027	79.0
95.04922	8.8
95.08588	82.8
97.06520	6.7
97.10162	4.1
105.03368	3.5
105.06359	2.7
105.07018	54.7
107.08577	68.9
109.06513	7.9
109.09019	1.7
109.10136	36.3
111.08085	7.1
117.06999	3.5
119.08567	48.2
121.02832	2.6
121.10130	50.6
123.08069	6.5
123.10882	1.6
123.11672	12.5
125.09603	2.5
129.06984	3.4
130.91820	1.6
131.08565	15.5
133.10107	26.6
135.08163	2.9
135.11670	20.2
137.13206	2.2
142.07797	3.7
143.08533	10.2
145.10097	25.5
147.11679	24.4
149.13223	26.7
151.11182	3.7
153.01825	1.9
157.10083	15.8
158.10854	2.0
159.11688	25.8
161.13284	19.8
163.11157	1.7
163.14818	8.7
165.01656	1.9
171.11626	15.4
173.13202	15.2
175.14827	10.4
177.16313	2.5
185.13197	9.2
187.14774	3.2
189.16382	2.9
199.14742	8.6
200.71210	1.6
201.16389	4.0
202.48318	1.8
205.15950	3.3
213.16348	14.5
219.01747	2.0
227.17950	3.9
229.19444	7.3
243.59180	1.7
269.22580	31.4
287.05472	17.8
287.23624	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01862	2.2
55.05505	2.0
56.05019	1.2
56.96555	6.3
57.03420	13.1
58.52346	0.9
59.04994	1.8
60.04508	1.3
60.05611	1.5
61.02911	9.5
62.06089	1.3
68.05021	8.9
69.03404	21.9
69.03700	1.2
70.03737	1.0
70.06569	46.9
71.04969	33.4
72.05300	1.4
72.08147	2.5
73.02900	7.3
80.05004	1.7
81.03396	2.6
83.01296	1.5
83.04979	2.4
84.04479	53.4
84.08135	7.4
85.02399	1.2
85.02879	31.4
85.03350	1.6
86.03226	4.3
86.06062	5.5
87.04484	1.7
88.03966	12.1
88.27285	1.0
88.96243	1.1
89.06010	15.5
90.06351	6.0
90.11230	1.1
95.04956	1.6
95.06068	12.7
96.04462	2.1
97.02856	15.0
97.07613	10.4
98.06059	1.3
98.97549	14.6
99.04420	2.9
101.00861	2.3
102.76414	1.1
105.03382	12.2
107.06349	1.2
107.07014	9.1
108.07417	2.8
108.08112	7.9
109.02872	2.9
110.01274	1.3
110.06030	1.9
110.97569	2.7
111.04414	1.1
111.88537	1.4
112.07574	10.1
112.08709	1.5
113.07119	5.3
113.07897	1.4
114.05511	23.5
116.07081	2.4
116.98643	5.3
119.01852	10.7
121.01643	1.6
124.03910	14.4
125.04267	10.2
125.07127	5.5
127.03925	7.1
128.07008	1.3
128.98610	3.0
130.04967	90.9
130.08676	1.8
130.09740	2.3
131.01884	2.3
133.03441	2.0
134.99644	1.5
135.34384	1.5
136.07610	6.8
137.02969	1.2
138.09109	1.6
140.03287	1.3
140.07074	4.5
142.04974	14.4
142.08630	5.9
143.00185	2.0
143.01984	2.3
144.10182	16.4
145.03580	1.2
145.04909	1.7
146.99669	6.4
149.02838	1.2
153.10252	7.2
154.08661	5.7
156.06522	9.9
157.03496	1.8
158.04529	5.4
158.99660	2.3
161.01231	1.1
161.02939	6.4
164.07106	1.5
170.99698	1.3
173.02995	5.3
175.04518	2.0
177.00757	4.8
180.13023	1.3
181.09666	32.4
181.11095	1.9
182.08064	49.6
184.09702	5.0
184.56065	1.3
186.07570	68.9
189.00742	5.6
191.03973	2.2
200.09200	2.3
227.10194	16.4
228.08592	45.0
237.02701	2.5
248.99210	1.5
270.10660	4.2
287.05640	5.5
287.13519	100.0
291.09308	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26318	0.7
54.81474	0.8
64.50574	0.7
70.06549	3.2
80.54030	0.7
85.02873	0.8
86.65472	0.7
92.08990	1.1
110.07138	1.9
112.07605	1.3
124.03866	0.9
157.90994	0.8
164.12584	0.8
211.93752	0.9
287.10938	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	287.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.5
51.36723	0.3
52.49916	0.2
53.03942	4.4
55.01880	2.4
55.05504	3.4
57.03430	3.7
61.02913	2.8
69.03417	31.7
71.04972	1.9
73.02892	1.8
77.03909	1.3
79.05502	0.4
81.03407	3.4
83.04961	11.3
85.02892	10.7
87.04445	1.7
91.03909	0.6
92.08857	1.4
92.09387	0.3
94.05158	0.4
95.04949	11.8
99.04449	2.8
102.00925	0.3
103.03952	1.2
105.03378	100.0
105.04526	3.2
111.04434	5.8
123.04429	1.3
129.05447	9.7
142.10971	0.3
147.06500	5.3
165.07552	2.7
240.63335	0.3
251.09149	4.2
269.10226	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03922	0.3
53.12178	0.2
57.03440	0.3
65.03905	0.4
67.01842	0.3
67.05493	1.0
68.99778	2.4
69.03403	0.6
69.07046	0.4
71.04946	0.4
74.78496	0.2
79.05460	1.7
81.07048	2.2
82.07362	0.5
83.04930	0.3
88.49532	0.3
91.05453	1.1
92.08671	0.4
92.09174	0.7
93.07006	0.6
95.04964	1.0
95.08575	1.1
97.02868	0.3
103.05431	0.3
105.03378	2.9
105.06336	0.2
105.07027	1.3
106.07352	0.2
107.04967	1.7
107.08566	1.1
109.02847	1.3
111.00814	2.1
111.04420	1.3
117.07023	0.3
119.08553	0.6
121.02840	10.3
123.11681	0.3
126.54705	0.3
129.06976	0.6
133.02829	1.2
135.04349	0.4
137.02324	3.6
143.08524	0.2
145.06503	0.5
145.10158	0.4
147.04370	2.6
147.11610	0.4
148.12024	0.3
153.00569	0.6
153.01804	16.1
153.66220	0.3
157.06499	1.8
159.11655	0.3
165.01808	5.0
166.02637	0.3
171.04344	1.2
183.02884	2.7
185.05981	2.0
213.05450	4.8
216.63004	0.3
229.04962	0.5
231.06393	1.3
231.98714	0.3
236.38536	0.3
241.04919	2.4
258.05200	3.0
259.05914	0.5
269.04504	0.4
286.17130	1.0
287.05435	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	287.0911
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
52.09910	0.3
55.05502	0.5
61.96737	0.4
65.03947	0.4
67.01852	4.7
67.05507	0.4
68.99777	0.7
69.03389	0.4
69.07054	0.6
76.56898	0.5
79.05485	0.6
81.07033	1.5
91.05460	7.4
92.08755	1.3
93.06976	0.3
95.04963	2.2
95.08544	0.5
99.04437	0.7
105.03372	0.6
107.04916	1.7
107.08601	0.7
109.10209	0.3
111.04420	4.1
118.10832	0.4
119.04917	22.6
119.08535	0.6
123.04412	2.7
135.82544	0.3
137.06012	0.4
139.03825	0.5
145.10062	0.5
147.04385	48.4
153.01830	0.4
156.19170	0.3
165.05405	0.5
167.03365	100.0
167.61395	0.4
185.04442	4.0
189.05409	0.5
287.05576	4.4
287.09055	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
54.37978	0.2
67.01813	0.2
68.99449	0.3
68.99771	3.0
69.03416	0.3
71.07491	0.2
79.05466	1.0
83.01289	0.2
92.09004	1.1
95.04946	0.3
98.97636	0.2
103.05473	0.5
105.03361	1.5
106.13859	0.2
107.04937	1.8
109.02857	1.1
111.00800	2.7
111.04440	0.3
121.02847	10.1
121.03737	0.4
127.03877	0.3
129.06989	0.4
131.08632	0.3
133.02809	1.6
134.03519	0.3
135.04414	0.3
137.02318	3.7
139.05428	0.2
145.06468	0.6
146.79166	0.2
147.04391	2.3
153.01808	16.0
157.06502	1.9
161.06007	0.5
165.01793	6.7
169.06389	0.3
171.04381	1.4
183.02858	3.1
185.05951	1.9
189.05432	0.3
203.06940	0.5
213.05400	4.8
231.06534	1.7
241.04988	2.0
258.05161	3.6
259.06085	0.9
287.05450	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	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05247	0.2
50.17955	0.2
55.05493	0.5
59.38282	0.3
60.88461	0.2
65.03912	0.3
67.05486	1.9
68.99780	2.7
69.03403	0.7
69.07047	0.6
74.92646	0.2
79.05467	1.8
81.03384	0.4
81.07038	2.4
85.02907	0.4
88.76656	0.3
91.05472	0.6
92.09053	1.5
93.07008	1.3
95.04950	1.3
95.08574	1.6
97.02896	0.4
103.05424	0.4
105.03355	2.9
105.06997	1.5
107.04940	2.0
107.08576	1.3
109.02835	1.2
109.10152	0.7
111.00813	2.1
111.04409	0.3
117.07024	0.4
119.08560	1.4
121.02043	0.5
121.02847	8.9
121.10131	0.6
127.03907	0.4
129.06940	1.1
131.08521	0.4
133.02821	1.1
133.10072	0.6
135.04370	0.4
135.07925	0.3
137.02299	2.7
141.09006	0.3
145.06419	0.5
145.10049	0.5
147.04370	2.6
149.13217	0.4
150.44084	0.3
153.01810	15.3
157.06493	2.5
159.11681	0.6
161.05997	0.7
165.01802	5.0
171.04399	1.1
178.39426	0.3
182.46841	0.3
183.02834	2.1
185.05902	1.5
189.05450	0.3
203.06905	0.4
213.05411	4.2
217.04991	0.3
229.04839	0.4
231.06418	1.4
241.04854	2.0
243.06494	0.3
258.05191	3.7
259.05920	0.5
269.04501	0.4
269.18106	0.3
269.22443	0.3
287.05444	100.0
287.23535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Luteolin
Peak:m/z	Relative Intensity
54.16026	0.2
55.01852	0.2
56.09617	0.2
56.23714	0.2
58.65575	0.2
60.49686	0.2
65.94723	0.2
67.01846	0.2
68.99776	3.4
69.03407	0.4
79.05470	0.9
81.03387	0.5
89.50868	0.2
92.08731	0.6
92.09328	0.4
92.45025	0.2
95.04935	0.4
103.05425	0.3
105.03366	1.7
105.04475	0.2
107.04932	1.9
109.02859	1.3
111.00793	1.9
111.04382	0.9
115.05440	0.2
121.02843	10.7
121.03762	0.5
127.03899	0.4
129.06964	0.4
131.08505	0.2
133.02818	1.4
133.06403	0.2
135.04373	0.5
137.02338	3.9
141.07033	0.3
144.01833	0.2
144.22421	0.3
145.06461	0.5
147.04372	2.4
151.03943	0.2
153.01807	16.4
157.06506	2.3
161.05963	0.9
165.01817	5.3
171.04346	1.0
183.02841	2.9
185.05927	1.5
189.05344	0.4
203.07053	0.4
213.05428	4.7
216.04230	0.3
229.04945	0.9
231.06514	1.5
241.04909	1.8
258.05197	4.0
259.05930	1.5
269.04425	0.4
287.05435	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	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
53.12178	0.2
57.03440	0.3
65.03905	0.4
67.01842	0.3
67.05493	1.0
68.99778	2.4
69.03403	0.6
69.07046	0.4
71.04946	0.4
74.78496	0.2
79.05460	1.7
81.07048	2.2
82.07362	0.5
83.04930	0.3
88.49532	0.3
91.05453	1.1
92.08671	0.4
92.09174	0.7
93.07006	0.6
95.04964	1.0
95.08575	1.1
97.02868	0.3
103.05431	0.3
105.03378	2.9
105.06336	0.2
105.07027	1.3
106.07352	0.2
107.04967	1.7
107.08566	1.1
109.02847	1.3
111.00814	2.1
111.04420	1.3
117.07023	0.3
119.08553	0.6
121.02840	10.3
123.11681	0.3
126.54705	0.3
129.06976	0.6
133.02829	1.2
135.04349	0.4
137.02324	3.6
143.08524	0.2
145.06503	0.5
145.10158	0.4
147.04370	2.6
147.11610	0.4
148.12024	0.3
153.00569	0.6
153.01804	16.1
153.66220	0.3
157.06499	1.8
159.11655	0.3
165.01808	5.0
166.02637	0.3
171.04344	1.2
183.02884	2.7
185.05981	2.0
213.05450	4.8
216.63004	0.3
229.04962	0.5
231.06393	1.3
231.98714	0.3
236.38536	0.3
241.04919	2.4
258.05200	3.0
259.05914	0.5
269.04504	0.4
286.17130	1.0
287.05435	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	286.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
54.59134	0.9
55.05511	16.9
56.05031	10.3
56.96558	1.8
57.50051	0.9
58.99580	27.4
59.77454	1.1
61.01142	2.6
66.33996	1.1
67.05502	8.0
68.05008	1.2
69.03414	1.7
69.07050	2.8
70.04898	1.0
74.00648	2.1
75.01406	1.2
76.02206	1.4
76.03993	4.5
76.55876	0.9
76.56355	1.2
79.05474	10.9
81.07049	13.4
84.04496	4.6
85.01133	6.1
85.02905	4.7
86.00641	27.8
87.02680	7.9
88.02206	2.2
89.04251	11.6
91.05484	4.4
92.09092	5.7
93.07022	5.6
95.04978	2.6
95.06075	11.1
95.08579	4.7
96.08111	1.3
97.06513	1.4
98.09667	16.7
100.70127	1.3
100.91821	1.1
101.04231	15.3
102.05527	8.2
105.03406	5.8
105.07030	6.2
106.03726	1.8
107.08603	4.4
109.06461	1.0
109.10155	2.8
110.09677	4.1
112.03981	5.8
113.01693	6.9
113.04240	12.4
115.05729	1.4
116.01660	6.2
119.08570	2.5
119.84998	1.4
121.10143	1.8
122.09676	1.8
129.07329	42.2
130.05070	1.9
130.06850	6.2
130.08646	1.7
133.10158	1.4
134.52252	1.1
135.11676	1.2
139.05759	1.3
143.02710	5.1
145.10130	2.8
147.11687	1.5
156.08414	55.0
156.10146	11.7
158.05728	1.3
162.02144	2.1
173.13335	1.2
183.09496	100.0
189.03293	2.2
215.07103	1.5
216.06915	7.0
217.52373	1.2
251.47321	1.2
259.11090	80.5
286.12234	10.9
287.05530	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	286.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58897	0.3
53.03936	0.7
54.81938	0.4
55.01855	0.7
55.05504	1.6
55.49567	0.3
56.05014	0.4
56.32238	0.3
56.96564	0.4
57.03430	3.3
59.04993	1.9
60.04502	0.3
60.27163	0.3
61.02640	0.4
61.02917	7.8
68.05008	0.5
69.03413	8.3
69.07059	1.8
70.06577	12.4
71.04978	6.0
72.08134	6.4
73.02890	2.1
75.04480	0.4
78.03416	0.5
79.05461	1.6
80.04984	2.8
81.03403	4.5
81.04530	0.4
81.07034	6.6
82.05293	0.4
83.01323	0.5
83.06084	6.1
84.04497	0.6
84.08132	0.7
85.02888	19.9
86.09667	0.3
87.04421	0.8
87.08096	0.8
88.19988	0.3
89.05988	2.1
91.03911	0.6
93.04510	3.7
95.05006	0.3
95.06068	9.0
96.04482	5.2
97.02867	6.4
98.97565	1.2
99.04439	1.6
105.03375	1.5
106.06537	100.0
107.04942	0.8
107.06076	1.7
107.06960	0.7
109.02884	2.3
110.07147	60.7
111.05556	1.4
112.07589	6.0
112.08714	1.4
114.78269	0.3
116.06306	0.6
116.07062	8.0
121.07612	0.6
123.04436	0.6
124.03928	100.0
124.07561	70.7
125.04290	0.5
125.07955	0.4
127.03854	3.1
134.24086	0.3
136.07442	0.4
137.07866	0.3
140.07028	1.9
143.11824	1.4
145.04933	1.5
152.38412	0.3
156.07629	5.6
163.12276	21.4
164.07056	1.6
165.07391	4.8
170.20258	0.4
187.10703	1.1
190.13362	4.2
193.13345	0.5
208.07771	1.1
208.14424	5.3
210.15868	0.3
234.62578	0.3
236.13972	2.5
240.16972	3.4
254.14967	7.3
286.09128	10.7
286.12735	5.4
286.17542	26.0
287.10956	9.4
309.08777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
54.69708	0.1
55.81517	0.2
56.96556	0.1
57.03418	0.2
61.02894	0.3
63.23994	0.1
64.36370	0.1
69.03405	1.1
69.07052	2.2
70.06586	1.5
70.07384	1.0
71.04961	0.2
72.08135	1.0
75.04496	0.2
78.03437	0.8
80.05000	2.9
81.03399	0.9
85.02894	3.1
87.08070	1.0
88.08398	0.2
89.06025	0.2
92.08925	0.8
96.04460	2.5
97.02856	0.7
98.97587	0.3
106.02901	4.1
106.09474	0.3
109.02894	0.2
110.07150	0.2
112.05051	0.4
116.07048	1.3
123.04400	0.4
124.03926	100.0
127.03878	0.3
148.65254	0.2
163.12300	0.2
164.06973	0.3
165.07378	1.0
181.27580	0.2
187.76534	0.2
220.67287	0.2
245.09962	0.7
250.07112	0.9
268.07898	0.4
286.09137	11.4
287.11069	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22709	0.2
55.12627	0.2
56.96545	0.2
57.03419	0.4
58.19653	0.2
66.18034	0.2
69.03411	0.9
70.06570	1.0
72.08122	0.5
78.03433	1.7
80.04991	3.6
81.03394	1.0
84.08150	0.3
85.02893	3.9
87.08079	0.3
96.04475	3.0
97.02867	0.9
99.04445	0.5
106.02895	9.5
109.02860	1.0
116.07049	0.4
117.54910	0.2
124.03930	100.0
126.70135	0.2
127.03902	1.0
139.43773	0.2
250.07027	2.1
268.08002	1.0
286.09149	20.4
306.55658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2209
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
51.50307	3.5
52.49844	3.7
55.01847	3.7
55.05497	27.1
65.86704	3.7
67.05483	28.6
69.07053	77.2
69.27200	4.4
79.05469	19.9
81.07044	54.6
83.08624	5.0
83.82559	3.8
86.97855	4.3
91.05459	26.5
92.08736	23.9
93.07014	39.8
95.04956	6.4
95.08583	56.2
95.22682	4.2
97.06492	10.4
105.07021	91.0
107.08578	42.5
109.06503	32.8
109.10129	29.7
117.07015	8.5
119.08562	100.0
121.06454	7.8
121.10131	24.5
123.11632	7.5
131.08569	6.4
131.79897	4.6
133.10092	62.9
135.08009	7.9
135.11659	16.6
143.08482	4.4
145.10117	18.4
146.07268	6.4
147.11694	36.2
156.09286	5.8
157.10086	7.8
159.11653	15.7
161.09581	81.0
161.38533	5.0
173.13196	7.9
175.14738	56.5
177.16306	5.5
187.14752	4.7
193.15741	4.7
197.13184	5.9
284.32864	6.9
285.21979	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	286.0918
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
52.64181	0.2
53.03925	0.2
57.03430	0.3
67.23190	0.1
69.03401	0.9
69.07054	1.2
70.06577	0.6
70.07381	0.3
75.04482	0.2
78.03435	0.7
80.05003	3.0
81.03383	0.3
85.02891	2.3
87.08086	0.6
87.51093	0.2
92.09261	0.2
96.04478	2.0
97.02888	0.3
98.97572	0.3
103.98833	0.2
105.09203	0.2
106.02894	3.6
109.02885	0.3
112.05048	1.2
112.07607	0.2
116.07047	0.2
116.98516	0.2
123.04372	0.2
124.03928	100.0
127.03929	0.6
147.29723	0.2
154.06120	0.2
172.75571	0.2
232.95963	0.1
247.20438	0.2
250.07104	0.9
268.08151	0.3
282.33154	0.2
286.09155	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.7
54.44188	0.4
55.01860	2.2
55.05507	9.6
56.96555	0.5
57.03435	7.3
57.07053	0.5
59.74389	0.4
65.03927	0.7
67.05491	11.3
69.03412	4.1
69.07038	3.4
71.04950	1.3
79.05474	16.3
81.03398	100.0
81.07037	12.1
83.04971	6.2
83.08603	14.0
85.02898	3.2
91.04887	0.7
91.05462	15.9
92.08916	2.3
93.07020	6.8
95.04945	24.5
95.08568	3.8
96.27712	0.5
97.02861	2.6
97.06516	0.7
97.10162	0.6
98.97568	0.7
105.03374	11.5
105.07007	12.9
107.04948	6.6
107.08581	4.6
109.06474	2.5
109.10124	1.0
111.04433	0.7
111.08067	5.0
115.05416	0.8
117.07002	1.0
119.04897	0.7
119.08546	9.1
121.06471	2.0
121.10129	4.4
123.04401	1.2
123.08059	1.0
129.06981	8.3
131.08545	5.3
133.06447	2.6
133.10097	4.2
135.13121	0.7
137.09592	0.8
142.07761	2.8
145.10085	1.1
147.04422	1.2
147.07996	2.9
147.11627	3.9
149.09605	3.6
157.10091	6.6
165.12715	0.6
175.11104	5.4
182.41809	0.6
193.12218	22.4
200.82292	0.5
211.13232	2.2
253.08490	0.7
267.15836	8.2
285.16898	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
51.61087	1.2
53.03928	6.3
55.01855	3.3
55.05267	2.2
55.05507	36.8
55.22194	1.3
56.37695	1.2
57.03141	2.8
57.03429	74.3
59.04983	1.8
59.69390	1.3
65.03919	2.3
67.05142	2.3
67.05493	51.6
69.03413	7.4
69.07065	10.8
70.59385	1.2
71.04974	13.1
79.05476	50.9
81.03400	100.0
81.07039	58.5
83.04969	25.8
83.08605	29.5
85.02891	89.3
85.06518	3.3
87.04475	1.4
91.05461	66.1
92.08798	4.0
93.07026	31.8
95.04948	40.4
95.08588	23.6
97.02861	2.7
97.06501	7.8
97.10150	2.8
105.03380	2.3
105.04535	1.5
105.07023	40.1
107.04949	10.2
107.08585	12.6
109.06492	10.5
109.10120	5.2
111.04368	2.8
111.08076	12.5
113.05993	6.6
115.05419	2.4
117.07021	2.4
119.08559	30.2
121.10123	16.8
123.08042	3.1
123.11702	2.1
124.57403	1.5
128.06197	2.1
129.06985	18.0
131.08559	13.8
133.06500	2.6
133.10118	14.7
137.09541	1.7
142.07730	1.7
146.62325	1.5
147.08051	2.7
147.11644	19.1
149.09590	6.5
157.10101	18.7
165.12709	3.3
175.11179	16.7
193.12209	56.9
211.13266	27.5
214.92267	1.5
267.15878	9.3
285.16916	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	285.0967
Annotation	Benzoyl-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03933	3.3
55.01878	1.5
57.03430	10.1
61.02920	14.7
69.03419	27.6
71.04977	1.6
72.05103	0.8
73.02898	4.6
79.05476	36.8
81.03403	10.6
85.02894	100.0
87.04456	4.0
91.03936	4.0
92.09274	2.4
95.04961	1.1
97.02879	24.8
99.04393	3.6
105.03374	9.9
109.02860	7.6
123.04413	33.6
127.03899	16.2
145.04961	16.5
148.50836	0.9
149.15904	1.0
163.05984	4.0
192.11745	1.3
264.15207	0.9
265.90631	1.0
278.29099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
50.11218	0.7
52.19661	0.9
53.03946	0.9
55.01865	1.3
55.05503	18.4
57.03430	23.9
60.88587	0.8
67.05492	33.1
69.03436	1.5
69.06718	1.2
69.07059	21.8
71.04977	8.2
74.15672	0.9
79.05476	18.9
81.07038	100.0
83.04963	7.5
83.08591	8.9
85.02879	1.7
85.06531	7.3
87.55529	1.1
91.05462	26.3
92.09174	5.9
93.07035	14.5
95.04916	3.6
95.08588	20.7
97.06504	5.4
97.10169	1.3
99.08066	1.6
105.03368	6.7
105.07018	34.0
107.08574	7.9
109.06483	5.5
109.10150	1.7
113.05997	1.5
117.06940	1.1
117.97559	1.0
119.08561	31.4
121.10111	18.3
123.08031	4.5
123.11700	22.2
128.83937	1.0
129.07001	2.3
131.08562	1.1
133.10100	5.2
145.10095	1.2
147.11670	41.5
157.10112	4.6
165.12704	15.9
175.11122	1.7
193.12308	1.3
229.14369	4.0
237.66039	1.1
253.28923	1.3
264.85785	1.2
267.15799	1.8
285.16928	40.8
285.21915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0986
Annotation	Guanosine
Peak:m/z	Relative Intensity
50.99158	0.1
53.03930	0.2
53.12771	0.1
55.01854	0.7
56.96562	0.1
57.03424	1.1
57.07050	0.3
59.04993	1.7
61.02909	1.4
67.05487	0.1
69.03413	2.6
69.07039	0.3
70.06557	0.6
71.04984	0.5
72.08122	0.2
73.02880	0.9
81.03394	0.8
85.02885	6.8
85.06537	0.2
87.03941	0.3
87.04447	6.9
87.54292	0.1
91.03919	0.3
92.08977	0.6
97.02867	2.6
99.04408	0.6
103.07545	0.2
105.05486	2.5
109.02855	0.7
109.05087	0.7
110.03505	2.9
111.04416	0.2
123.59491	0.1
127.03899	1.9
128.04552	1.6
134.04665	0.1
135.02988	5.5
140.45914	0.1
145.04933	2.2
152.05644	100.0
153.04047	11.4
154.02466	0.2
163.05972	0.7
231.08513	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
53.70474	1.0
55.01847	5.8
55.05499	12.3
57.03416	7.7
57.07047	1.4
67.05498	10.0
69.03398	1.9
69.07027	7.5
71.04936	2.0
79.05482	14.2
81.03375	1.7
81.07020	15.3
82.37170	1.0
83.01308	1.4
83.04970	8.3
83.08594	6.8
85.02862	1.7
91.05450	7.7
93.07013	15.7
95.04930	7.7
95.08572	15.5
97.02865	1.3
97.06515	2.8
98.68789	1.6
98.97583	1.4
99.04380	1.5
105.03357	5.4
105.06992	7.5
107.04929	2.7
107.08546	12.1
109.06491	5.2
109.10112	2.6
111.04427	2.5
111.08002	1.7
113.05918	1.6
117.06957	5.1
119.08530	6.8
121.02843	14.1
121.10114	5.2
125.05923	1.3
133.10155	1.3
135.11664	10.0
141.07077	1.1
145.10097	9.1
148.97408	1.2
153.12711	2.9
163.11154	7.2
181.12300	1.3
186.06499	1.2
211.29523	1.3
227.12691	9.6
233.11412	2.6
265.14175	1.6
283.15100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2053
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
51.88695	2.6
52.55072	2.1
53.03912	4.5
54.38658	2.4
55.05510	29.3
56.96559	4.1
57.07053	7.1
67.05485	34.9
69.03400	6.1
69.07057	21.9
71.04971	28.2
76.56381	2.6
78.37373	2.6
79.05478	31.9
81.07037	78.2
83.04971	4.1
83.08591	3.5
91.05460	50.0
92.09122	20.4
93.07020	66.5
95.04955	32.3
95.08585	28.6
97.06439	9.2
98.96053	2.9
100.04929	3.3
103.05434	3.2
105.07002	100.0
107.07964	3.9
107.08583	53.3
109.06485	11.5
109.10139	22.6
111.42374	3.2
115.05347	3.4
116.98575	4.3
117.06984	18.5
119.08559	64.0
121.06469	14.5
121.10114	72.1
123.08040	7.0
123.11681	3.2
125.09603	3.2
128.06194	6.3
129.06975	14.8
130.07756	16.8
131.08519	52.0
133.10100	49.9
134.99596	4.7
135.08035	14.0
135.11661	5.9
142.07791	7.0
143.08546	36.3
145.10092	65.8
147.11661	5.7
156.09325	13.4
157.10078	22.3
158.10855	12.9
159.11653	21.5
161.09616	27.5
161.13101	4.1
163.11057	4.0
164.41708	3.3
169.10069	4.7
171.11636	16.8
173.13219	50.7
179.08549	3.4
180.09334	4.6
181.10078	5.6
183.11578	6.1
185.13202	4.9
187.14848	5.6
194.10812	6.7
195.11665	5.0
197.13199	5.2
199.14848	10.7
209.13278	6.1
213.16476	3.2
223.14749	3.8
227.14250	3.8
234.66225	3.4
255.20964	4.3
265.19409	13.8
269.38367	2.8
283.20499	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	283.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
53.03942	5.1
55.01866	0.9
56.96555	0.4
57.03431	2.2
57.07069	0.3
67.05485	0.3
69.03418	6.4
69.07053	0.3
71.01333	1.2
71.04981	0.4
72.08166	0.8
73.02898	1.2
77.03903	0.5
79.05473	4.5
81.03388	1.7
81.07011	0.3
83.04990	0.4
84.08130	0.4
85.02892	4.3
87.04462	0.3
91.05463	1.5
93.07008	0.5
95.04947	11.6
97.02869	4.7
98.97569	1.0
99.04445	1.0
103.05439	0.5
105.03374	100.0
105.04519	3.2
105.07002	1.0
106.64169	0.2
107.08506	0.2
109.06467	0.3
113.90701	0.2
115.03916	0.6
116.98578	0.5
117.07018	0.3
119.04956	2.2
119.08556	0.2
121.02845	3.8
121.06488	0.5
123.04389	2.5
125.02328	1.1
127.03920	1.0
131.08603	0.9
133.10095	0.3
135.08067	0.4
145.06438	0.3
145.10066	0.4
147.04388	3.3
147.08002	0.3
158.99614	0.3
165.08977	0.3
172.03021	0.3
219.14832	0.3
237.07513	0.4
247.13188	0.4
265.07022	0.9
265.14459	0.5
283.08041	1.4
283.16516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01846	1.5
55.05469	0.8
57.03426	8.0
57.47782	0.6
60.21513	0.6
61.02919	13.3
67.05474	1.4
69.03416	24.4
71.04979	3.4
71.97973	0.6
73.02907	5.5
81.03387	6.3
83.01345	0.7
85.02890	100.0
85.06018	0.8
85.06528	18.3
87.04448	3.1
91.03931	6.0
92.09109	0.9
97.02875	23.4
99.04448	4.1
101.02325	1.0
103.07542	0.9
109.02860	8.3
127.03876	17.4
135.20184	0.6
145.04939	26.9
163.05997	8.1
214.79355	0.8
226.26958	0.8
229.10683	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	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03925	11.1
55.01868	5.0
55.05505	55.7
57.03428	45.2
59.47675	1.8
65.03916	2.3
67.05492	100.0
69.03428	4.1
69.07040	19.1
71.04987	4.8
71.87131	2.1
73.81503	2.2
79.05475	95.0
79.84202	2.0
81.03400	16.2
81.06593	3.7
81.07040	71.2
83.04964	45.8
83.08610	9.3
83.71944	2.3
91.05461	82.5
91.06004	4.4
92.08617	3.9
92.09199	9.4
93.06475	4.0
93.07021	59.4
93.62289	2.4
95.04947	35.6
95.08585	51.4
97.02886	3.9
97.06509	5.0
97.10153	2.4
105.07008	58.4
107.04923	5.2
107.08591	25.1
109.06511	5.5
109.10112	4.4
117.07008	11.7
119.08558	41.6
121.06551	3.5
121.10145	4.7
123.07988	3.0
128.06171	4.0
129.07007	16.4
131.08543	4.0
133.10104	12.3
133.11026	2.2
135.11685	2.9
143.08562	11.8
143.70503	2.2
145.10124	10.6
147.11661	28.3
161.13271	10.5
171.11678	14.5
189.12862	2.7
207.13789	11.2
209.15417	2.3
281.17365	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01859	1.9
55.05507	1.8
57.03425	9.1
59.04980	1.7
61.02913	16.3
63.94069	0.7
64.33467	0.8
65.27226	0.7
65.65122	0.8
67.05501	1.6
69.03413	24.2
70.03745	0.9
71.04966	3.9
72.08139	1.3
73.02897	5.7
79.05461	1.2
81.03408	10.1
85.02888	100.0
85.06525	53.2
86.03227	4.2
87.04467	2.0
91.03937	5.4
91.05488	0.9
97.02863	22.2
98.03191	1.1
98.97562	3.9
99.04444	5.6
101.06000	1.0
103.03947	3.3
103.07564	20.0
109.02860	9.2
111.04372	1.1
115.03876	1.3
116.98616	1.0
127.03896	19.6
129.03082	1.5
131.32162	0.8
136.07550	0.8
141.81252	0.8
145.04927	30.8
150.07709	1.0
163.05971	7.5
168.92830	0.8
201.05309	0.9
229.10661	4.6
239.04369	3.7
282.09341	0.9
289.75485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1593
Annotation	Hexane-1,5-diol 1-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.31492	0.3
53.03943	0.7
54.81665	0.3
55.01860	0.5
55.05505	69.3
57.03424	0.8
59.04972	1.2
61.02915	1.4
64.19308	0.3
68.35713	0.3
69.03416	3.9
81.03389	1.4
82.26073	0.4
83.04987	3.8
83.08604	100.0
84.05309	1.9
85.02890	11.2
92.09057	0.9
95.04984	0.4
97.02868	2.3
98.97544	0.4
99.04451	0.4
101.06017	3.9
101.09641	14.9
102.06328	2.3
104.96236	0.4
105.03358	1.4
109.02869	0.4
119.10683	3.4
125.90473	0.3
127.03922	0.6
134.19397	0.4
163.78894	0.4
200.81201	0.3
210.69115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31099	1.0
51.08746	0.8
51.83242	0.9
53.03937	6.3
55.01857	5.4
55.05506	24.6
56.96552	5.3
57.03427	23.0
57.07054	1.2
60.36926	0.8
65.03921	5.2
67.05488	54.5
69.07056	9.1
72.16402	1.1
73.33824	0.9
79.05472	57.5
81.03396	13.2
81.06594	2.1
81.07036	40.3
81.07476	2.1
83.04958	24.6
83.08591	2.8
84.96011	7.7
89.03895	8.0
91.05458	46.3
92.08866	5.1
93.07018	37.0
93.90643	1.2
95.04947	20.8
95.08573	23.8
95.24614	1.2
97.06490	1.2
97.10169	1.8
98.97549	10.4
105.03389	2.6
105.04486	1.9
105.07013	29.0
107.04936	2.8
107.08569	13.2
109.06472	2.3
109.10142	6.5
116.04956	100.0
116.98590	4.7
117.05322	8.8
117.07006	6.7
119.08556	19.7
121.06495	1.7
121.10072	1.2
123.08008	2.7
129.06979	8.2
133.10117	6.7
143.08530	5.2
144.98111	2.6
145.10135	5.6
146.87134	1.2
147.08066	1.4
147.11658	13.8
161.09659	1.3
161.13217	5.5
162.99092	2.1
171.11668	8.4
183.03264	1.7
189.12657	1.8
193.01692	9.8
207.13832	7.0
211.02736	30.5
212.03110	1.6
229.03787	7.7
235.02751	7.2
253.03693	10.4
263.02200	1.8
281.03360	4.8
281.17401	31.9
282.03998	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43749	1.3
55.05501	1.4
57.03421	3.5
57.07067	100.0
60.74062	1.3
61.02916	3.2
63.04477	51.2
69.03403	8.5
70.20774	1.3
74.59973	1.4
81.03417	1.7
85.02888	42.9
91.05458	2.3
92.09126	7.0
97.02863	7.9
105.11174	1.7
109.02860	2.8
110.42330	1.6
119.10669	43.8
125.36067	1.4
127.03885	3.6
240.32161	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.05514	7.3
55.05716	0.9
57.07057	4.4
65.03925	2.2
66.55369	0.8
67.05492	100.0
69.07052	9.8
79.05482	10.0
81.07039	96.9
83.04976	1.0
83.08590	5.0
84.04347	1.0
91.05466	1.7
92.09180	4.9
93.07015	9.5
95.04942	1.1
95.08586	65.3
97.06467	1.0
97.10154	1.9
104.99175	0.9
105.07014	2.2
107.08566	4.5
109.10146	34.2
112.07648	0.8
114.79064	0.9
117.06983	1.1
119.08521	2.2
121.02834	2.2
121.10111	5.1
123.11674	15.0
131.08600	1.3
133.10097	2.0
135.11674	2.0
137.09561	0.9
137.13213	2.0
145.10077	1.3
147.11659	2.0
149.01125	2.2
149.02321	59.1
159.11638	1.4
161.13260	1.2
173.13297	1.1
195.13710	1.1
206.32707	1.0
219.05717	5.4
223.16898	1.2
239.08932	1.1
261.22174	1.5
279.09320	4.8
279.23120	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	279.2315
Annotation	4-[3-(4,8-Dimethyl-3,7-nonadienyl)-3-methyloxiranyl]-2-butanone
Peak:m/z	Relative Intensity
52.99847	0.6
53.03949	0.9
55.01862	0.8
55.05502	9.7
55.37167	0.5
57.07066	6.6
59.99871	0.6
61.78621	0.6
65.03929	3.7
67.05490	100.0
69.07047	7.2
71.04981	1.1
79.05473	13.5
81.07035	93.4
81.23764	0.6
83.04976	1.0
83.08593	4.7
85.06532	1.2
91.05476	4.4
93.07007	12.1
95.08581	70.7
97.10126	0.9
105.07023	2.8
107.08563	7.9
108.30594	0.6
109.06480	0.7
109.10140	18.1
112.81863	0.7
119.08567	3.2
121.02814	5.6
121.10098	4.6
123.08013	0.7
123.11667	8.1
131.08548	4.9
133.10112	2.9
135.11713	5.0
137.13211	5.3
145.10121	1.1
147.11687	1.6
149.02318	71.9
149.09541	0.9
149.13200	2.8
151.14841	1.1
155.16864	0.7
159.11661	1.2
167.03424	1.3
173.13239	4.1
177.12762	1.1
181.12206	0.8
187.14780	1.5
191.14163	0.9
209.15445	1.4
219.05693	2.8
223.16962	0.9
224.94754	0.6
239.08847	1.2
243.20967	0.9
261.22067	1.5
279.09299	1.4
279.23102	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	279.1701
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
57.07080	1.5
69.03408	0.8
69.07049	0.7
73.80745	0.4
85.02898	1.0
86.09692	90.5
93.06994	0.8
95.82997	0.5
103.05447	7.2
104.05862	0.4
107.08592	0.5
120.08084	100.0
121.02863	2.5
125.27712	0.4
131.04889	0.7
132.05272	0.7
132.10223	0.8
134.37366	0.4
149.02324	34.4
166.08603	6.8
233.16490	0.9
259.46756	0.5
279.17017	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	279.1701
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
53.03936	0.7
55.01869	0.4
55.05511	0.4
56.00130	0.3
56.05026	0.3
56.96558	2.5
57.03436	0.4
57.07057	1.7
61.18488	0.3
69.03426	0.6
69.07055	17.0
79.05471	0.4
79.53616	0.3
83.04984	0.4
86.09687	100.0
92.09161	0.3
95.04953	2.8
97.06490	0.4
100.24362	0.3
100.99120	0.6
105.03370	11.6
105.04467	0.8
105.07024	0.7
120.08073	12.5
121.02843	1.5
128.98534	0.4
131.04874	0.3
131.06483	0.4
141.00539	0.3
144.98100	0.6
146.99646	0.6
149.02313	24.2
165.00664	0.5
166.08589	4.2
190.98555	0.5
193.34396	0.4
208.99706	2.3
273.72870	0.3
276.85730	0.3
279.16980	3.2
288.11267	0.3
295.01126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1071
Annotation	1-Tuliposide A
Peak:m/z	Relative Intensity
52.22832	0.6
53.03725	0.5
53.03939	6.4
55.01868	7.7
55.05502	4.4
56.05025	0.8
56.96540	1.1
57.03423	22.0
57.07060	0.8
59.04981	3.0
61.02909	23.3
69.03412	42.3
70.03724	0.6
70.06575	0.7
71.01324	4.4
71.04966	11.4
72.08127	0.8
73.02894	16.0
74.02413	2.5
81.03394	20.3
83.01316	2.8
83.04962	17.8
84.08124	1.3
85.02883	100.0
86.09670	3.8
87.04459	5.0
91.03920	5.3
91.05435	0.5
92.09065	1.3
97.02863	37.9
98.06021	1.4
98.97554	4.8
99.04427	23.1
101.00888	0.8
101.05975	3.3
103.03920	3.0
109.02842	9.9
110.07134	1.0
112.99117	0.9
115.02399	1.4
115.03886	5.1
116.07050	1.4
116.98587	1.0
117.04077	0.8
117.05461	21.0
119.01879	4.1
119.57124	0.6
123.04389	1.1
125.02353	2.1
125.03494	0.6
127.03874	13.7
128.98509	0.7
131.00127	0.7
131.01840	3.1
132.03392	0.9
132.10237	0.6
133.01663	0.7
133.03423	6.3
133.04951	9.0
143.01857	1.4
145.03580	1.7
145.04924	14.3
147.01297	0.6
147.03073	0.6
147.05096	0.8
149.02298	10.0
151.37076	0.6
155.01859	2.3
157.03410	3.7
159.05019	3.2
159.06422	1.2
161.02856	2.4
161.05507	0.7
163.02687	0.7
163.05949	0.6
165.11942	0.5
166.05252	3.9
166.22531	0.6
167.69708	0.7
169.04330	1.1
171.04976	3.3
173.02931	3.2
173.06546	0.9
175.04498	1.4
177.00792	0.9
177.06088	1.2
187.04453	1.2
189.06029	1.3
203.03883	1.0
219.01651	1.1
221.04996	5.1
237.02704	1.4
259.06693	0.9
261.08197	2.7
279.09280	3.7
279.13458	1.3
280.09488	0.7
303.66241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81913	5.1
64.33739	5.8
66.83375	5.5
70.50507	4.5
80.90005	4.3
83.68915	5.1
92.08891	7.9
101.00922	5.5
119.01916	26.3
161.02872	10.0
238.44356	4.9
279.04709	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	279.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.4
53.03938	3.1
54.81800	0.2
55.01864	8.4
55.05502	3.5
56.05023	0.9
56.96567	0.2
57.03425	22.5
57.07062	0.4
58.36744	0.2
59.04988	3.8
61.02909	19.1
65.03935	0.2
67.05495	0.2
69.03411	37.2
69.07056	0.4
70.03745	0.2
70.06577	0.3
71.01332	5.2
71.04970	9.6
72.08128	0.3
72.65715	0.2
73.02895	15.9
73.06538	0.3
74.02425	1.7
75.02685	0.4
75.04460	0.9
79.05490	0.3
81.03395	17.7
82.06564	0.2
83.01320	2.0
83.04961	17.5
84.04480	0.5
84.08143	1.4
85.02884	100.0
86.03229	1.0
86.09686	2.8
87.04445	5.2
89.06021	0.3
91.03934	6.1
95.04946	0.9
97.02864	35.8
98.03147	0.3
98.06033	2.5
98.09632	0.2
98.97555	0.4
99.04427	24.1
99.06353	0.9
101.00845	0.3
101.02382	0.7
101.05994	3.7
102.05504	0.2
103.03905	2.7
109.02855	9.6
110.07166	0.9
111.04404	0.7
113.02369	0.4
113.58685	0.2
115.02415	0.8
115.03896	5.4
116.07071	1.5
116.10711	0.2
116.98605	0.4
117.05463	21.7
117.07359	0.8
119.01884	1.6
120.01930	0.2
121.01625	0.7
121.02828	0.4
123.02945	0.2
123.04387	1.1
125.02332	2.4
126.03418	0.2
127.03882	15.6
129.05455	0.9
130.04988	1.1
131.00168	0.2
131.01846	1.5
131.09555	0.2
133.03421	2.9
133.04930	11.1
133.24883	0.2
133.65544	0.2
134.06017	0.3
141.05458	1.0
141.87895	0.2
143.01878	0.5
144.10109	0.3
145.03479	1.1
145.04932	14.0
146.03465	0.2
147.04974	0.7
149.02293	11.7
151.04503	0.3
152.07091	0.2
154.08640	0.3
155.01866	1.0
157.03419	1.0
159.04994	1.6
159.06485	1.7
161.02924	0.8
163.02611	0.7
163.04671	0.2
163.05991	1.2
166.05258	2.2
170.06055	0.2
171.04971	1.2
173.02916	1.0
173.06589	0.5
174.09076	0.3
175.03049	0.2
175.04506	1.6
177.04404	0.2
177.05995	0.5
179.05424	0.3
185.02911	0.3
187.04459	0.4
189.06038	1.1
190.06129	0.2
201.06137	0.3
203.04016	0.4
211.04631	0.2
213.06038	0.2
215.13727	0.2
221.05032	2.2
222.05122	0.7
229.01929	0.2
233.08699	0.2
237.02769	0.2
243.08572	0.4
245.04785	0.2
245.57361	0.2
249.86308	0.2
261.08163	1.2
262.08301	0.3
279.08932	1.4
279.13162	1.7
280.09341	0.3
291.09177	0.4
292.02444	0.2
295.37280	0.2
304.95993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.00297	3.3
53.03929	3.9
55.01864	3.6
55.05500	32.9
57.03428	5.0
59.50773	3.1
67.05489	57.1
69.07051	19.0
71.08604	22.1
79.05476	67.2
81.03401	5.7
81.07039	55.6
83.04958	7.5
83.08627	4.9
91.05457	41.6
93.07024	100.0
95.04955	17.1
95.08583	33.3
97.06499	4.1
99.08057	8.6
105.07013	26.5
106.58224	3.3
107.08572	44.0
109.06462	4.4
109.10168	8.2
119.08524	25.9
121.10144	33.3
131.08543	4.6
131.97336	3.8
133.10139	4.6
135.11691	28.8
147.11697	4.3
149.13324	7.5
151.11124	6.7
161.13219	5.3
179.14258	15.4
221.99261	4.0
254.93979	4.0
276.17310	3.9
277.21588	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01440	0.6
53.03926	4.2
55.01843	1.1
55.05503	22.2
57.07058	3.5
58.97367	0.6
60.29514	0.6
64.82645	0.6
65.03934	1.0
65.70142	0.6
66.96545	0.8
67.05141	1.2
67.05492	28.4
69.07053	16.8
71.04969	1.1
73.75494	0.7
75.02137	0.6
79.05471	73.7
81.07032	27.9
82.98425	0.7
83.08592	4.9
85.06521	1.1
91.05456	30.7
92.09003	6.4
93.07019	100.0
95.04939	9.7
95.08578	18.4
97.10122	1.2
105.04509	3.1
105.07005	14.2
107.08578	30.7
109.06502	1.0
109.10131	7.4
117.06985	2.9
119.08566	7.5
121.10117	22.6
123.08048	1.0
129.07004	1.4
131.08536	2.9
133.10086	8.2
135.11664	24.6
143.08531	1.2
145.10129	0.8
147.11641	3.0
149.13210	7.6
159.11699	1.1
161.13268	1.2
171.11638	1.3
220.47586	0.8
221.15381	1.3
239.26952	0.7
277.21600	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	277.216
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03933	2.6
54.47684	0.9
55.01849	1.6
55.05502	18.7
57.07064	2.0
65.03933	1.5
67.05494	32.8
69.07052	16.3
69.56587	1.2
78.35219	1.3
79.05474	70.5
81.07040	30.3
83.08595	7.5
84.79778	1.1
89.89558	1.1
91.05462	40.4
92.09148	2.2
93.07024	100.0
95.04947	7.6
95.08607	17.3
97.10161	1.9
105.04460	2.0
105.07007	15.2
107.08582	44.0
109.10137	9.2
111.08118	1.4
119.08554	9.9
121.10117	28.1
124.38210	1.5
129.07004	1.6
131.08543	2.8
133.10094	9.3
135.11679	36.2
142.29422	1.3
145.10071	1.8
147.11662	5.0
149.13251	12.6
159.11633	2.1
163.14806	1.9
166.65746	1.2
171.11760	1.2
173.13220	1.3
213.16396	1.6
221.15224	1.6
235.16942	1.7
259.20361	1.7
277.21564	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	278.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49572	0.6
53.03923	0.7
53.21400	0.6
53.50800	0.4
54.82217	0.6
55.01857	3.5
55.05502	10.1
55.54921	0.6
56.96562	0.6
57.03418	2.5
59.04986	13.3
61.02894	2.4
67.05143	0.9
67.05486	24.6
67.75818	0.5
69.03399	3.1
69.07056	10.6
71.04607	1.1
71.04972	24.6
79.05471	25.6
81.03394	23.1
81.07036	29.3
83.04956	12.4
83.08589	9.1
85.02891	2.5
85.06514	4.2
87.04484	4.2
91.05454	35.1
93.07015	25.1
95.04941	13.1
95.08582	9.7
97.06486	8.5
97.10122	2.3
98.97569	1.0
99.08095	0.9
100.81527	0.6
105.03393	1.1
105.07011	21.7
107.04918	3.7
107.07861	1.1
107.08574	29.7
109.06516	4.9
109.10119	1.0
111.04398	0.8
111.08044	6.5
113.05988	1.4
115.05413	0.8
119.08559	13.6
121.06460	0.8
121.10117	20.6
123.08025	3.9
123.11677	3.5
125.09505	0.6
127.07553	0.7
129.06981	11.2
131.08531	21.0
133.06424	0.8
133.10097	27.8
137.09589	0.9
139.11195	0.8
142.07756	1.3
142.61201	0.6
145.10123	0.9
147.07985	2.6
147.11646	20.1
149.02324	1.3
149.09589	32.1
157.10104	18.8
163.74548	0.6
165.12703	2.7
167.10583	3.2
175.11142	21.1
179.14191	0.6
193.12199	37.0
197.15312	3.7
199.13232	7.5
211.13251	100.0
225.14795	10.4
243.15878	2.9
247.40323	0.7
256.60809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2157
Annotation	14,15-Dehydrocrepenynic acid
Peak:m/z	Relative Intensity
53.03920	3.6
54.56609	1.8
55.01868	3.4
55.05505	37.6
56.96539	2.5
57.07064	27.8
58.07399	4.4
65.03927	2.4
67.05138	3.0
67.05488	60.7
69.07050	39.8
70.06558	13.7
71.04974	9.2
71.06888	3.2
71.08601	4.8
72.08904	2.3
72.74853	2.0
72.96772	2.0
72.97222	2.0
74.31013	2.1
79.05471	70.2
81.06599	3.2
81.07034	64.6
83.08599	8.1
85.06515	3.5
85.26608	2.1
88.07607	11.9
89.07925	10.1
90.08019	3.9
91.05460	68.5
92.09004	2.7
93.07024	100.0
95.04946	5.2
95.08583	38.3
97.06492	11.5
97.10126	2.4
97.34871	2.2
99.58813	2.2
100.35447	2.2
105.07006	66.8
106.08646	5.4
107.08546	47.6
109.06482	5.5
109.10117	11.7
109.71381	2.7
117.06960	12.8
119.08548	58.5
121.06488	5.4
121.10124	34.4
123.11671	10.4
127.79584	2.4
129.06946	10.4
131.08537	20.1
133.10106	54.0
135.07986	3.4
135.11690	17.4
137.13194	2.2
141.63492	2.0
143.08533	11.9
145.02841	2.9
145.10072	9.1
147.07983	5.0
147.11662	49.4
149.02304	43.9
149.13203	10.2
157.10107	10.1
159.11641	5.1
161.09619	9.0
161.13196	12.2
163.03894	16.7
163.14824	5.3
171.11623	12.8
175.07617	2.8
175.11186	3.3
175.14746	9.1
179.10703	4.6
185.13197	5.3
189.12721	9.5
191.03464	2.8
193.12161	11.0
207.13780	12.2
217.04988	5.2
217.19472	28.8
221.15247	4.6
231.17355	3.4
231.60544	2.4
241.19464	12.3
258.27045	7.4
259.09683	5.1
259.20523	11.1
259.27322	2.5
276.27975	98.2
277.17923	4.8
277.21588	96.2
277.28171	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2001
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03922	3.7
54.81922	2.1
55.01854	13.0
55.05503	30.8
57.03415	10.6
63.42271	2.1
67.05485	33.5
69.07043	13.9
73.97655	2.4
79.05053	3.2
79.05471	40.9
79.52737	2.2
81.03386	4.2
81.07035	71.5
81.07490	2.7
83.04955	4.1
91.03220	2.0
91.05454	59.1
91.23689	2.1
93.07017	30.3
95.01287	3.2
95.04936	5.3
95.08572	18.9
97.06495	5.4
105.07005	100.0
107.04933	10.8
107.08566	20.0
109.06496	11.3
109.10125	4.0
116.46754	2.1
117.06982	19.2
119.08554	37.4
121.10108	10.5
121.84138	2.2
123.08015	2.6
131.08540	20.9
133.10115	32.7
135.11693	3.2
143.08537	3.0
145.10115	16.8
147.11644	14.1
149.09596	5.6
159.11697	5.7
206.83624	2.6
207.28188	2.4
219.17389	29.2
257.18900	4.0
274.27280	3.6
275.19992	60.9
275.27820	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	276.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.0
55.01657	1.5
55.01871	20.9
55.05507	100.0
56.05029	22.5
57.03409	8.0
57.07058	3.7
58.99416	1.6
59.04972	2.1
61.30573	1.2
67.05495	39.2
69.03416	3.4
69.07058	19.1
71.01331	8.9
71.04954	3.0
71.08614	1.9
72.04501	30.0
73.06517	2.0
79.05475	37.3
81.03398	36.1
81.07043	36.8
83.04959	25.9
83.08611	25.8
85.02908	3.9
88.07625	15.1
88.47511	1.5
89.64388	1.3
91.05461	25.8
92.09095	11.8
93.07028	31.5
95.04937	10.7
95.08588	13.4
97.02873	17.4
97.06484	6.9
97.10155	30.5
97.53185	1.4
104.09419	1.8
105.07006	17.1
107.04939	14.3
107.08572	25.3
109.06564	1.9
109.10135	2.8
111.04429	8.9
115.05395	1.9
117.06236	1.5
117.06952	11.6
119.08560	14.9
121.06487	3.4
121.10130	10.8
125.09620	11.7
129.06981	2.8
131.08525	9.3
133.10066	2.3
135.08041	2.1
135.11702	11.5
145.10109	14.5
147.08084	3.9
153.12753	8.5
155.08511	2.9
163.11165	23.3
173.09506	3.4
228.23186	10.3
276.20404	2.4
276.25275	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	277.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81931	19.9
59.76661	17.9
63.90245	19.3
64.27219	18.0
67.59889	17.3
69.03406	30.2
84.08111	19.1
85.02877	29.8
92.09006	83.6
97.02867	86.1
98.12500	21.6
98.97567	30.9
101.00835	29.8
119.01896	80.1
134.53566	21.1
138.03595	29.9
161.02921	51.8
206.73526	23.3
277.03085	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	277.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.9
53.03928	3.6
55.01859	1.6
55.05507	21.5
56.96544	1.0
57.07068	59.5
58.07400	8.3
58.08182	0.7
59.60573	0.7
62.74658	0.7
65.03901	1.0
67.05495	25.0
69.03398	1.1
69.06767	0.8
69.07058	13.1
70.06576	17.8
70.88333	0.7
71.04970	3.5
71.06922	9.2
71.08609	3.8
72.07224	1.2
72.08929	1.5
77.19294	0.8
79.05478	68.5
81.07039	28.2
83.04952	1.0
83.08597	7.2
85.06535	1.2
86.10537	1.0
88.07616	16.7
89.07944	10.4
90.08051	4.9
91.05466	29.8
92.04816	0.9
93.07027	91.7
95.04946	9.2
95.08590	16.4
97.06506	6.0
97.10088	1.1
102.09133	1.9
103.09518	1.9
105.04503	1.0
105.07011	14.4
106.08645	4.0
107.08549	30.8
108.09089	5.6
109.06494	2.1
109.10132	5.4
111.08063	1.3
117.06993	3.6
119.08580	9.1
120.08838	1.2
121.10117	26.3
123.04377	1.8
125.09686	0.9
129.06967	1.6
131.08546	5.3
132.08842	1.2
133.10126	8.3
133.10995	1.0
134.31148	0.8
135.08003	1.1
135.11673	20.2
139.62640	0.9
143.08562	1.7
145.10085	1.5
147.11624	5.0
149.13254	9.1
157.10059	1.3
159.11609	3.8
160.12062	1.1
161.13292	1.0
162.07008	1.0
163.03909	1.2
163.14786	1.6
171.11691	1.2
173.02393	1.2
173.13237	1.4
177.12732	1.1
179.10648	25.6
201.06819	0.9
219.13739	3.9
235.16905	63.0
244.77177	0.9
257.26697	0.9
258.26950	8.7
259.09610	1.7
259.20325	1.0
259.27277	3.2
276.27997	100.0
277.17938	49.3
277.21539	27.9
277.28250	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.57765	1.1
51.27840	1.0
53.03935	2.5
55.01858	5.0
55.05506	28.8
55.16170	1.1
55.83277	1.2
57.03408	1.2
64.30213	1.1
64.34065	1.4
67.05493	35.0
69.03390	1.6
69.07054	18.6
70.58829	1.1
71.04946	2.3
79.05473	37.7
81.03410	1.5
81.07041	36.4
83.04967	2.6
83.08595	5.9
85.02976	1.4
85.06523	2.0
91.05460	72.1
92.09164	9.4
93.07024	35.1
95.04935	10.4
95.08584	24.2
97.06494	5.8
97.10093	1.7
103.05486	1.8
105.03384	1.9
105.04517	1.5
105.07008	100.0
107.04922	3.2
107.08582	23.6
109.06519	10.0
109.10146	11.9
117.06214	2.2
117.06987	20.0
119.08559	54.5
121.06481	6.2
121.10114	11.1
122.19144	1.4
123.08071	2.5
123.11636	2.4
129.06963	2.8
131.08536	24.4
133.10103	55.6
135.08076	5.0
135.11644	6.9
143.08554	2.6
145.10107	20.5
147.08008	2.7
147.11667	25.4
149.09615	7.1
151.11174	2.3
155.08537	2.5
157.10124	2.3
159.11633	11.7
161.13184	9.3
163.11134	7.6
169.10100	2.0
171.11577	1.4
173.13205	6.6
175.11121	2.8
197.13255	2.1
206.77574	1.4
229.19481	5.3
239.17882	5.5
257.19012	10.2
275.20007	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01867	3.6
55.05504	24.2
57.03419	4.8
57.07072	19.3
58.06600	2.6
62.18326	1.9
67.05492	33.8
69.07055	18.4
70.06570	22.2
71.04969	3.8
71.06911	3.0
71.08608	4.7
72.42140	2.1
79.05478	30.6
81.07043	41.5
83.04966	3.8
83.08614	4.7
88.07613	30.4
88.21304	2.3
89.07935	2.9
91.05460	66.6
91.99039	2.1
92.09180	19.0
93.07018	32.7
95.04952	5.2
95.08594	19.5
97.06542	2.9
102.09150	9.0
105.03366	2.8
105.07015	90.9
106.08614	15.9
107.04929	3.8
107.08546	22.5
109.06510	10.2
109.10127	4.4
117.07003	16.6
119.08566	62.7
121.06471	5.1
121.10137	14.2
123.08045	3.5
129.07008	5.5
131.08525	25.2
133.10109	44.0
135.08047	9.0
135.11685	4.5
143.08543	4.8
144.09337	2.2
145.10150	16.0
147.11678	19.0
149.09654	5.7
155.08562	3.3
157.10147	4.0
159.11723	17.3
161.13249	5.6
163.11292	2.8
171.11603	3.1
173.13226	16.4
185.13315	3.6
199.14795	3.2
212.23695	3.7
256.26343	8.4
257.18948	13.2
257.26761	4.7
274.27356	70.7
275.20013	81.2
275.27692	100.0
292.06482	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.96014	2.1
53.03928	2.0
55.01850	2.7
55.05507	25.3
55.07478	2.0
57.03420	2.1
57.07076	15.8
58.07393	2.5
67.05495	39.9
69.03403	2.4
69.07054	18.6
70.06579	18.0
71.04978	14.9
71.08614	2.8
79.05473	44.8
81.07042	52.6
83.04963	3.7
83.08601	4.7
83.35150	2.2
85.06517	2.7
88.07603	24.2
89.07923	3.5
91.05460	84.0
92.08889	7.7
93.07023	44.5
95.04942	11.0
95.08576	26.5
97.06470	4.6
102.09136	4.3
105.07012	100.0
106.08627	11.3
107.04905	2.7
107.08563	30.2
109.06539	13.3
109.10139	9.4
111.08068	16.5
114.38674	3.5
117.06991	21.1
119.08562	71.7
121.06479	3.7
121.10137	21.6
123.08031	9.8
126.60940	2.2
129.07016	4.1
131.08522	36.6
133.10106	50.3
135.08034	15.9
135.11668	3.4
137.09576	3.9
141.07001	2.8
142.07768	3.7
143.08565	15.9
144.09294	3.1
145.10083	28.0
147.11662	23.4
149.09612	4.2
157.10103	17.2
158.10817	4.6
158.84776	2.6
159.11647	30.1
161.13199	5.1
163.11142	4.4
169.10022	4.5
171.11636	8.8
171.39571	2.2
173.13205	28.0
174.13881	2.7
175.11119	5.5
175.14696	2.3
177.12688	4.4
183.11623	5.0
184.12276	4.3
187.14830	3.9
191.14391	2.4
199.14720	5.6
201.12599	3.8
203.14325	3.2
213.24226	3.3
233.42200	2.4
239.17886	8.9
256.26367	2.8
257.18903	16.7
257.26678	3.7
268.04617	2.9
274.27374	60.1
275.19995	78.2
275.27679	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.17862	2.4
54.81762	3.1
55.01867	3.6
55.05506	30.7
56.96557	4.9
57.03421	6.9
57.07051	5.6
66.58372	2.8
67.05502	34.7
67.73444	2.8
69.07056	19.0
69.11770	2.5
72.10545	2.6
72.37919	3.1
79.05485	30.8
81.07034	32.2
83.08582	5.3
85.27531	2.7
91.05449	60.0
93.07016	28.4
95.04969	6.7
95.08586	20.1
105.03391	24.1
105.07010	91.8
105.07668	5.1
107.04955	4.1
107.08604	16.7
109.06505	5.9
109.10176	6.4
116.98624	11.8
117.06984	23.7
119.08549	63.5
121.10156	5.8
129.06972	5.6
131.08549	22.8
133.10120	37.1
143.08543	6.9
145.10121	19.9
147.11641	32.1
149.09686	3.1
157.10139	3.9
159.11699	15.6
161.13235	6.8
171.11708	3.8
173.13220	7.0
185.13280	6.8
224.03581	4.3
239.17911	5.0
257.18942	4.6
257.33380	2.8
275.16730	4.5
275.20013	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03930	3.0
55.05511	20.0
56.08293	1.5
57.07061	13.9
65.03931	1.9
67.05492	30.1
69.07051	17.5
70.06568	11.0
70.81151	1.5
71.29365	1.7
72.08926	2.2
79.05467	29.0
81.07042	28.8
83.08597	3.1
88.07619	14.7
90.50154	1.5
90.51488	1.9
90.76399	1.8
91.05459	89.1
93.07018	26.9
95.04945	2.9
95.08589	16.6
97.10117	2.8
102.09154	2.3
105.07014	100.0
106.08646	7.9
107.04932	1.9
107.08546	17.4
109.06491	2.2
109.10145	4.2
117.07003	19.4
119.08553	52.3
121.06505	2.1
121.10118	8.1
129.07025	3.1
131.08548	33.1
133.10118	49.7
137.52998	1.8
143.08551	3.3
145.10106	23.6
147.11655	27.1
149.09576	11.3
151.79926	1.9
155.08534	2.3
157.10117	3.2
159.11690	8.1
161.13264	7.9
163.11180	1.8
171.11646	3.2
173.13249	4.1
175.14665	2.1
183.11638	3.3
187.73700	1.7
197.13271	2.5
212.23767	1.8
213.24084	1.8
233.15269	2.0
239.17804	3.1
256.26440	1.9
257.18976	9.8
257.26749	3.2
274.27332	46.0
275.20010	81.9
275.27698	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2001
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.01870	2.0
55.05505	25.0
59.11050	1.8
61.23080	1.5
65.03938	1.5
67.05487	29.2
69.07044	17.1
70.71825	1.4
79.03107	1.4
79.05466	25.1
81.07033	32.2
83.04950	2.6
83.08615	2.7
85.02841	1.9
91.05453	70.7
92.08627	4.2
92.09245	9.7
93.07020	26.2
95.04935	2.9
95.08574	18.5
98.97550	2.9
105.07010	100.0
107.04987	2.1
107.08555	20.2
109.10109	4.3
116.98560	2.4
117.07018	20.7
119.08554	55.0
121.10094	8.9
129.06993	7.1
131.08530	23.8
133.10092	47.1
135.08022	4.0
135.11661	2.1
143.08495	3.5
145.10072	18.3
147.11662	29.5
149.09605	4.1
149.13300	1.9
157.10158	2.5
159.11670	11.3
161.09605	2.1
161.13213	8.3
163.11192	3.0
173.13213	3.6
178.06732	2.0
183.11684	2.9
189.68636	1.6
192.02161	1.8
197.13214	2.8
212.90450	2.0
219.13730	1.8
257.18948	8.9
275.20004	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03948	2.5
54.72164	1.7
55.05510	25.4
65.00755	1.7
67.05488	24.4
69.07050	22.3
71.04992	1.8
73.48595	2.1
79.05474	30.3
81.07043	30.4
83.04958	3.2
83.08590	3.9
85.18426	1.7
90.56545	1.8
91.05466	67.2
92.08735	4.4
92.09334	3.9
93.07029	23.6
95.04952	8.3
95.08591	19.3
97.06567	2.0
100.36857	1.9
105.07018	100.0
107.04945	2.3
107.08578	21.0
109.06572	3.7
109.10124	3.6
116.98640	2.4
117.06985	16.0
119.08560	67.0
121.06470	2.9
121.10124	9.0
123.08002	2.4
127.94785	2.0
129.06952	2.2
131.08545	27.8
133.10112	47.4
135.08003	2.8
135.11647	3.3
142.07704	2.4
145.10075	23.3
146.10855	2.2
147.11661	28.9
149.09682	3.1
155.08537	3.3
157.10118	3.3
159.11659	10.4
161.13199	4.1
163.11192	2.3
171.11658	3.1
173.13196	3.2
175.11142	2.5
183.11627	2.0
183.52478	1.8
195.52205	1.8
196.97220	2.3
215.14325	2.1
222.76044	2.0
222.78496	1.9
257.18958	7.7
275.20010	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94952	0.2
52.46552	0.3
53.00309	0.3
53.03937	0.6
55.01863	0.3
55.05509	10.2
55.54200	0.2
56.30925	0.2
57.03428	0.6
61.02909	0.2
64.53510	0.3
65.03910	0.5
67.05494	33.1
69.03415	0.7
69.07056	7.4
70.06570	1.4
71.04976	0.3
79.05447	0.2
80.06206	0.3
81.03387	0.4
83.04960	0.3
84.08142	0.3
85.02897	2.5
85.06522	0.6
86.09689	0.4
91.05467	1.6
93.07031	5.6
95.04945	0.5
95.08585	100.0
97.02908	1.1
97.10126	1.0
98.51414	0.3
104.39363	0.3
107.04942	0.7
107.08568	0.5
113.09622	5.5
116.10689	0.7
120.08070	1.5
131.97395	0.3
135.08067	0.5
137.05983	0.3
139.03877	1.2
147.65916	0.3
149.05930	0.5
150.96935	0.3
169.41481	0.3
201.07738	0.3
265.56570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01859	0.9
55.05501	6.7
56.05019	0.9
56.96548	2.6
57.03421	2.7
60.04513	0.5
60.05626	2.3
61.02910	4.2
62.08152	0.5
68.04996	2.4
68.90852	0.5
69.03408	7.8
70.02953	3.4
70.06573	31.5
71.04974	2.1
71.06909	0.8
72.05603	1.0
72.08137	43.2
73.02905	6.4
73.08470	1.0
80.05004	0.9
81.03403	3.6
82.06571	5.0
83.04924	0.5
84.04482	2.6
84.08128	5.3
85.02885	16.8
85.07626	0.6
86.06040	0.7
86.09691	0.7
87.04451	0.7
87.07932	0.9
91.05452	2.1
92.08821	1.7
95.02424	0.7
95.06071	38.4
96.04481	1.1
97.01989	0.5
97.02862	6.2
97.07613	0.8
98.06042	2.5
98.50841	0.4
98.97559	6.5
99.04440	2.0
106.06550	0.5
107.04958	0.9
107.07334	0.6
108.04451	5.0
109.02860	1.1
109.27687	0.5
111.64925	0.5
112.08710	8.3
113.02351	77.4
113.03457	5.1
113.07112	100.0
114.05573	0.5
115.08695	2.3
116.07088	0.7
116.98593	6.2
119.01889	2.9
119.04920	2.1
119.07338	0.9
120.08097	2.0
123.04417	2.0
124.11257	0.6
125.07090	28.4
126.05470	2.0
127.03893	2.8
127.09779	6.5
128.98576	0.6
129.10191	0.6
132.08081	2.7
133.03490	0.6
134.05988	2.6
134.99600	2.7
135.06766	2.2
136.07532	3.2
139.07419	0.9
140.08157	0.7
141.06548	1.0
142.05058	0.5
143.08150	4.1
145.04944	0.9
146.99651	0.6
147.04417	1.2
147.09171	0.6
153.06570	2.4
157.10811	1.0
160.07556	14.2
161.02910	0.7
161.08054	0.7
162.05542	0.5
169.13208	0.8
171.04407	0.6
173.08157	0.7
177.10226	2.1
183.08739	0.7
188.96982	0.8
190.98537	0.8
193.06036	0.8
195.11203	0.9
202.60503	0.8
203.08147	1.9
206.08136	2.9
210.08606	0.7
211.15477	1.1
212.11353	0.8
217.09630	0.7
228.18114	3.9
238.14253	1.2
249.08682	0.9
252.10800	0.8
252.14029	0.5
252.63293	0.6
253.11658	2.2
254.16054	0.7
256.17596	2.9
257.11243	3.3
274.97488	1.0
275.05148	0.9
275.12158	9.4
292.98642	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	275.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	14.9
57.18885	11.9
67.05478	20.7
68.54950	12.4
69.03412	18.1
70.79729	11.6
70.84298	13.5
71.04971	20.5
72.08150	30.4
72.65721	14.6
84.08117	92.2
91.05451	18.9
92.09203	70.1
92.15935	13.5
95.04960	22.4
98.97545	100.0
116.98595	87.7
132.95859	18.3
134.99648	62.8
141.06946	67.0
150.96854	61.1
160.05194	18.9
169.06480	22.6
189.05463	17.8
191.07016	17.3
199.03709	17.1
215.06960	26.6
242.59677	16.0
274.97363	32.4
275.08997	34.1
292.98520	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
53.79827	1.3
54.81800	1.5
55.01869	3.0
55.05501	23.1
57.03411	2.5
59.04991	11.0
59.29086	1.2
65.76877	1.3
67.05492	32.4
69.03416	7.0
69.07061	16.3
69.50031	1.2
71.04976	17.7
71.23602	1.5
78.32084	1.2
79.05476	35.3
81.03397	81.1
81.07034	41.8
83.04967	22.9
83.08598	29.9
85.06527	7.2
89.03896	1.5
91.05457	54.0
92.09119	6.5
93.07024	34.1
95.04945	34.7
95.08591	15.2
97.02876	2.2
97.06531	11.4
97.10156	5.6
98.97546	1.7
99.08069	2.0
105.03378	1.9
105.07008	37.2
107.04926	9.0
107.08572	26.0
109.06508	9.9
109.10157	1.9
111.04466	1.6
111.08055	18.0
112.16352	1.5
113.05956	2.7
116.04946	23.9
116.98640	1.4
117.05297	2.8
119.01956	1.9
119.04892	1.4
119.08564	25.5
120.02065	1.5
121.06497	2.8
121.10101	19.7
123.08025	3.0
125.09659	2.0
129.06976	18.3
131.08525	31.0
133.06468	2.8
133.10100	37.3
133.11040	2.3
134.99637	2.1
137.06001	2.0
137.09605	1.9
142.07762	3.5
145.10132	1.7
147.01430	3.0
147.08012	5.8
147.11667	34.3
148.43100	1.5
149.01030	2.3
149.09599	20.6
157.10109	29.7
165.12744	1.9
175.11134	29.0
193.12206	94.3
197.15343	3.1
225.14806	100.0
274.27402	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2574
Annotation	beta-Springene
Peak:m/z	Relative Intensity
55.05500	31.2
57.07072	10.5
58.14817	4.2
58.80127	4.2
64.34184	5.3
65.22448	5.0
67.05502	46.2
69.07047	66.3
79.05471	25.6
81.07040	100.0
83.08610	24.0
90.94791	5.5
91.05462	22.8
92.08897	11.0
93.07027	63.8
95.08586	93.4
97.10164	6.3
105.07021	55.5
107.08576	97.8
107.81469	4.5
109.10157	81.1
119.08544	36.6
121.10153	58.9
123.11669	64.3
133.10139	22.9
135.11658	39.6
137.13210	5.9
147.11685	27.4
149.13275	46.2
153.71155	5.1
159.70972	5.0
161.13266	27.1
163.14810	31.9
171.51547	5.4
175.14763	8.3
177.16316	7.8
189.16383	12.8
191.17931	10.5
203.17903	8.3
217.19579	29.1
217.63170	5.4
273.25690	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2209
Annotation	androstenone
Peak:m/z	Relative Intensity
55.05499	13.9
57.07064	3.4
60.34961	2.1
67.05494	13.2
69.07043	10.7
71.04974	24.5
71.08630	2.9
79.05466	13.2
81.07035	63.8
83.08608	3.7
91.05447	16.0
93.07026	44.2
95.04957	2.9
95.08572	38.5
95.09126	3.0
105.07013	65.5
107.08577	39.5
109.06523	4.3
109.10130	20.7
111.08073	27.9
111.11713	2.3
113.09632	4.6
117.07019	10.7
119.08550	100.0
121.10114	33.1
123.08066	2.9
123.11674	20.0
128.06187	2.5
129.06932	3.5
131.08533	33.8
133.10109	19.2
135.11642	8.3
142.07704	3.7
143.08513	14.2
144.09286	3.5
145.10097	39.4
147.11693	18.6
149.09634	2.7
149.13228	5.2
157.10112	24.5
159.10347	3.8
159.11662	92.1
161.13243	18.5
163.11133	2.5
163.14819	3.3
171.11638	12.0
173.13170	20.9
175.14890	8.7
177.12694	14.6
179.14235	3.1
185.13226	13.7
187.14828	4.7
189.16342	3.7
199.14796	22.1
213.16307	17.1
215.17914	69.9
222.52995	2.4
229.19479	14.6
255.21005	60.2
272.29150	3.5
273.22055	86.6
273.29791	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2209
Annotation	androstenone
Peak:m/z	Relative Intensity
55.05496	11.6
56.52616	1.5
57.07055	2.8
67.05499	14.0
67.91252	1.2
69.07060	14.0
71.04973	27.9
79.05482	11.3
81.07037	60.0
83.08597	3.5
85.06505	1.7
86.93613	1.3
91.05444	17.6
92.08760	7.4
93.07018	39.2
95.04932	3.7
95.08573	37.2
97.10135	3.2
105.07015	65.3
107.08573	30.6
109.06490	6.6
109.10122	16.1
111.08054	20.4
113.09624	6.1
117.06991	9.3
119.07709	3.4
119.08559	100.0
121.10130	36.3
123.08081	1.7
123.11705	16.8
129.06979	6.1
131.08548	26.6
133.10091	20.3
135.11691	6.1
142.07767	2.2
143.08540	16.3
144.09290	2.1
145.10107	39.0
147.11656	21.1
149.13232	7.9
151.11147	1.6
156.09294	2.0
157.10107	20.8
159.11665	71.5
161.13217	17.4
161.90056	1.6
163.11078	2.1
163.14825	2.6
171.11670	11.7
173.13214	30.9
175.14752	9.5
177.12730	15.0
185.13217	9.3
187.14751	7.9
189.16341	7.1
199.14806	18.9
201.16461	1.8
203.17899	2.1
213.16341	10.3
215.17914	68.3
217.15933	2.2
227.17868	1.8
229.19485	13.4
231.17444	2.4
255.21045	53.1
273.22055	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01844	0.4
55.05489	0.4
56.96548	0.3
58.64498	0.2
65.03917	0.3
67.01849	2.5
67.05479	0.9
68.99769	1.4
69.03415	1.8
69.07047	0.4
70.43716	0.2
79.05459	0.5
81.07030	1.2
83.01319	0.3
91.04884	0.4
91.05455	9.4
93.06988	0.8
93.44055	0.3
95.04951	1.9
95.08603	0.5
97.02863	1.3
101.39847	0.2
105.03352	0.3
105.06985	0.5
107.04936	2.5
107.08563	0.6
107.80074	0.2
109.06485	0.3
111.00785	0.4
119.04915	20.3
121.02831	0.3
121.06442	0.4
123.04404	3.7
133.10054	0.2
145.10121	0.5
147.04382	40.7
151.03886	0.4
153.01799	100.0
159.11766	0.3
162.97293	0.3
165.07054	0.3
168.82524	0.3
171.02847	2.3
179.03308	0.5
189.00705	0.3
189.05457	0.4
231.06354	0.3
255.06395	0.4
273.07507	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0753
Annotation	p-Coumaroyltriacetic acid lactone
Peak:m/z	Relative Intensity
53.03927	0.3
54.81731	0.2
55.05484	0.2
58.62732	0.2
59.10564	0.2
62.29352	0.2
65.03925	1.1
67.01857	8.3
67.05488	0.5
71.04967	0.5
72.80627	0.2
76.21258	0.3
79.05482	0.2
81.07049	0.3
85.02908	0.3
91.05457	15.4
92.09186	1.6
93.07018	0.4
97.02840	0.4
99.04436	0.5
105.06966	0.3
107.08575	0.3
119.04913	42.9
121.92025	0.2
125.80280	0.2
127.03874	7.0
131.08539	0.4
147.04384	100.0
227.07115	0.3
255.06531	1.1
273.07422	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	272.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	2.1
55.05500	15.5
57.03426	3.3
57.07061	9.1
60.64872	1.8
61.62468	1.9
67.05483	17.5
69.03420	3.8
69.07045	14.8
71.04976	93.0
72.38273	2.1
73.06546	5.0
79.05482	30.6
81.07036	65.7
83.04974	4.0
83.08597	13.9
85.06524	8.5
90.95722	2.8
91.05457	20.5
92.09093	4.4
93.07024	44.0
95.04966	2.5
95.08585	63.6
97.06521	9.8
97.10137	3.2
98.58261	2.1
99.08070	12.1
105.06358	4.3
105.07018	70.5
107.08585	52.2
109.06492	4.5
109.10152	30.5
117.07018	2.6
119.08536	18.1
121.10124	23.7
122.10444	2.4
123.08028	2.4
123.11668	12.1
125.09592	13.9
127.07497	4.9
127.11214	8.6
131.08562	14.2
133.10103	100.0
133.67033	2.1
143.10695	19.4
145.10060	16.7
147.11639	19.0
149.13214	32.6
151.11183	11.0
159.11682	11.2
161.13220	4.2
167.14281	44.0
181.59944	2.3
190.51379	2.3
201.16364	9.5
219.17390	49.8
237.18367	17.1
274.12836	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	271.1902
Annotation	Fercoperol
Peak:m/z	Relative Intensity
53.03941	2.5
55.01879	3.7
55.05505	52.3
57.03181	1.4
57.03432	32.1
57.07073	1.4
63.57145	1.0
65.03934	1.2
65.97795	1.4
67.05492	68.7
69.06718	1.9
69.07056	36.2
69.07413	2.7
70.75777	1.0
71.04980	12.5
73.06533	1.7
79.05470	32.4
79.64217	1.1
81.07038	90.5
83.04955	2.5
83.08608	17.4
85.06522	8.8
87.47808	1.4
91.05462	20.4
92.09227	5.4
93.07026	24.0
95.04952	4.9
95.08585	100.0
97.06522	10.3
97.10151	4.7
98.97545	1.6
99.08075	2.7
105.07018	19.1
107.08593	14.4
109.06451	1.3
109.10134	14.7
111.08055	2.3
117.06999	1.7
119.08556	24.4
121.10110	5.2
123.04379	5.1
123.08065	2.6
131.08549	2.1
133.10107	12.1
135.11679	8.8
137.09547	2.5
137.13277	2.1
157.10217	1.4
161.13210	20.6
165.06996	2.4
169.06354	1.2
179.14325	8.6
183.10341	2.3
226.12091	2.2
243.14798	2.2
253.14307	1.5
253.17905	2.9
271.09561	2.0
271.14359	3.5
271.18982	61.8
288.84518	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01860	2.7
55.05502	6.9
56.02195	0.6
56.05842	4.0
56.06064	0.5
56.96543	0.7
57.03434	6.3
58.03749	2.3
59.05003	0.5
61.02911	13.1
62.03239	2.3
69.03418	18.7
70.03746	8.2
71.04974	2.1
72.05308	0.8
73.02888	5.9
73.06537	32.4
74.03221	1.2
74.06870	15.3
81.03406	6.4
82.03721	3.6
84.08129	0.6
85.02888	100.0
86.03222	49.5
87.04448	2.3
88.04754	0.6
91.03928	4.8
92.04276	2.5
92.08714	1.0
92.09228	0.6
95.70218	0.6
97.02872	20.0
98.03200	12.5
98.97553	2.4
99.04448	3.1
100.04769	2.5
103.03886	0.9
109.02864	5.4
110.03188	6.2
115.03922	0.7
119.04917	0.6
124.03944	2.8
127.03884	13.2
128.04231	12.5
137.05956	1.0
139.05042	0.8
140.03455	0.7
145.04947	15.0
146.05278	17.2
163.05975	7.0
164.05063	0.8
164.06284	6.7
177.00789	0.5
218.11011	0.6
218.37949	0.5
254.13132	4.3
276.07382	0.6
284.83499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1438
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
51.78771	1.2
52.39513	1.3
53.03938	1.3
55.05502	2.2
55.32168	1.1
56.05046	1.4
57.14975	1.1
67.05480	2.6
69.07032	2.5
77.93722	1.2
79.05495	4.6
81.05773	1.5
81.07017	6.4
82.34636	1.4
85.06446	1.4
91.05439	1.6
93.05730	1.8
94.06538	2.8
95.04906	1.4
95.08597	1.8
96.08106	3.0
99.91235	1.3
106.06539	5.4
108.08096	22.8
119.08479	1.6
122.09632	2.9
134.05992	1.6
136.07523	1.9
144.08078	2.6
154.06491	2.3
155.08488	1.9
163.86273	1.4
168.08087	12.1
168.09285	1.9
169.08791	11.4
171.09007	1.4
172.07516	2.9
181.10101	2.0
182.09637	5.7
183.10393	17.2
184.11186	1.4
185.10684	6.3
196.07567	13.0
197.08330	23.8
198.09207	3.2
198.12727	16.4
199.08623	16.1
199.12233	3.0
200.13042	3.4
210.09125	5.3
210.11415	2.7
211.09891	37.0
212.09407	3.1
213.10184	36.5
214.10974	8.7
215.15327	6.1
221.83586	1.4
226.12253	46.4
227.08279	2.7
227.11743	51.8
228.12534	53.9
230.24780	6.9
241.09734	6.6
241.13280	1.9
242.10416	2.2
243.14891	30.7
253.13329	8.3
255.11230	52.4
256.12000	48.1
265.21896	1.4
271.14340	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	4.5
53.03944	2.2
55.01867	5.5
55.05311	2.0
55.05506	32.9
57.07084	2.1
59.04975	2.6
67.05499	28.9
69.03417	3.9
69.07040	5.2
71.15997	2.6
76.66127	2.4
79.05467	18.2
81.03407	21.5
81.07034	30.7
83.04965	2.9
83.08614	23.0
85.02429	3.1
85.02893	62.3
91.05454	61.7
92.08839	2.6
93.07018	29.9
95.04934	9.6
95.08582	9.7
97.02886	11.2
97.06405	2.3
105.07007	42.0
107.04932	12.8
107.08569	13.6
108.22176	2.4
109.02878	21.1
109.06483	4.4
109.10143	10.4
110.36330	2.3
111.04382	2.4
111.08078	2.8
113.02345	100.0
117.07004	4.2
119.08547	16.2
121.06464	10.4
123.04375	4.0
123.11664	3.8
129.05455	3.1
133.10103	73.3
143.08557	4.9
151.11151	19.3
153.09090	2.8
161.09567	41.6
171.08000	3.9
179.10638	39.1
189.09067	12.7
193.12239	3.4
203.43159	2.3
207.10133	27.6
211.13324	9.3
225.11151	12.7
239.12718	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	271.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.4
51.58093	0.2
53.03939	4.5
55.01865	2.4
57.03424	1.7
59.04993	0.2
61.02916	2.4
67.05494	0.2
69.03410	1.4
73.02901	2.9
77.03903	1.0
79.05479	8.5
81.03387	0.2
82.31558	0.2
85.02892	8.9
88.50475	0.2
91.05450	1.0
92.08934	0.4
95.04943	12.2
97.02902	0.2
101.02360	3.2
103.03922	9.7
105.03373	100.0
105.04525	2.9
107.04938	0.3
110.07159	0.2
121.02824	0.9
121.04914	0.3
121.10199	0.2
123.04405	8.8
140.26874	0.2
149.04428	7.0
253.06950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.1
51.02374	0.3
53.00274	0.1
53.03939	4.3
55.01862	1.1
55.05500	0.7
57.03424	1.0
57.07045	0.2
61.02898	1.0
64.58012	0.1
67.05504	0.2
69.03408	0.7
70.06568	1.4
71.04961	0.2
72.08138	2.0
73.02890	1.8
74.82687	0.1
77.03900	1.0
79.05050	0.3
79.05473	4.2
81.03395	0.3
81.07040	0.3
85.02885	5.7
91.05463	0.2
93.07039	0.2
95.04944	11.6
95.08543	0.1
101.02341	1.3
103.03922	5.3
103.05438	1.3
105.03371	100.0
105.04516	3.2
107.04958	0.4
107.08570	0.3
116.07058	0.9
116.94582	0.2
119.01981	0.2
119.04872	0.2
121.02846	0.4
121.04979	0.2
123.04402	4.8
123.05355	0.4
131.04912	0.2
132.36513	0.2
141.05609	0.2
146.45302	0.1
149.04431	4.1
151.03905	0.3
158.99709	0.2
163.79903	0.1
191.08530	0.2
204.08676	0.2
235.13370	0.2
238.49539	0.1
253.07002	0.7
271.11490	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	270.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17200	0.2
68.03031	0.3
68.04749	0.2
68.05022	3.4
69.03397	0.5
70.06564	3.9
71.04986	0.3
71.20741	0.2
72.67376	0.2
73.06521	0.4
78.03455	0.3
83.72018	0.2
85.02878	1.4
86.06049	12.3
88.07613	0.3
97.07665	0.3
98.06039	7.4
106.79109	0.3
110.07153	0.4
112.08720	0.3
113.07105	0.5
114.05517	0.5
119.01900	1.0
120.08079	6.7
123.05564	2.0
140.07048	0.3
141.06567	22.3
148.07545	0.6
164.11803	1.0
165.10204	17.9
166.08572	0.3
168.23183	0.3
168.56660	0.3
169.06038	0.7
169.58504	0.3
170.06795	0.4
181.29169	0.3
183.11247	10.9
192.11331	1.4
192.72850	0.3
210.12357	6.3
211.10748	100.0
228.13536	0.4
250.12120	0.3
253.12859	1.7
270.15546	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	270.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46161	2.3
56.30038	2.1
58.04283	2.2
68.99774	3.3
79.05465	29.0
87.00818	49.2
103.05443	100.0
105.01833	3.1
105.03368	11.0
107.04930	58.6
121.06483	59.2
127.62587	2.4
131.04909	55.4
149.05971	29.6
207.06470	24.5
214.36690	2.7
235.05945	12.2
253.06961	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	270.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
54.16830	0.5
55.01850	1.9
55.05503	8.6
57.03433	5.1
61.02915	10.7
64.33733	0.4
69.03068	0.9
69.03417	16.5
71.04974	2.2
73.02904	5.0
73.06538	51.5
81.03396	6.9
85.02889	100.0
87.04457	3.1
91.03929	4.6
92.08935	0.9
97.02871	21.3
98.91931	0.5
99.04459	4.1
101.02364	0.8
103.03905	0.9
109.02876	9.2
115.03916	0.8
127.03884	18.4
143.72668	0.6
145.04948	23.6
161.31329	0.5
163.05989	10.6
199.75046	0.5
210.78206	0.5
215.42496	0.5
217.10670	1.0
253.12762	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	268.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95550	0.5
53.03954	0.7
55.01851	0.6
57.03421	2.9
59.04987	0.7
61.02922	6.7
61.60090	0.4
61.64437	0.4
62.28565	0.5
69.03414	9.9
71.04977	31.3
73.02900	2.3
81.03410	4.1
82.19316	0.5
85.02891	46.5
87.04435	1.2
89.06015	100.0
91.03925	3.0
92.09033	2.5
94.27003	0.5
96.04679	0.5
97.02867	12.8
99.04450	0.9
109.02836	4.0
127.03922	7.4
136.06157	0.6
145.04961	7.4
163.05988	0.8
167.07018	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81405	1.6
105.27912	2.3
116.85455	1.9
120.69095	2.2
121.18688	2.0
129.49025	2.0
136.94011	3.4
147.03352	2.2
214.19594	2.2
268.98187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.00294	1.7
53.03933	1.9
53.10234	1.1
53.55589	1.2
55.01856	5.2
55.05501	32.4
55.39123	1.2
56.96563	1.2
57.03428	51.4
57.07061	6.9
58.18781	1.0
59.36760	1.5
67.05140	3.2
67.05491	71.2
69.03378	1.6
69.07053	39.2
71.04972	6.5
76.55814	1.4
79.05471	54.7
81.03407	2.0
81.07037	100.0
83.04970	12.4
83.05380	1.3
83.08603	19.3
85.06503	2.9
85.16110	1.4
91.05453	31.0
92.09020	8.1
93.07021	79.7
95.04955	10.0
95.08575	34.4
97.06523	12.0
97.10143	2.3
98.97568	2.7
99.08051	2.8
105.03400	3.0
105.04519	2.0
105.07003	14.3
107.08573	46.3
109.06536	5.5
109.10135	3.2
111.08067	8.5
117.06982	9.3
119.08560	7.0
121.10111	23.6
131.08548	15.6
133.10110	10.8
135.11624	11.1
143.08583	2.1
145.10117	3.2
145.11327	1.6
147.11671	2.7
149.04745	1.6
149.13232	28.5
157.10066	3.1
159.11682	14.3
171.11809	1.9
177.12804	4.9
195.13757	8.6
213.16374	1.7
269.17377	52.7
269.22296	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	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.99504	0.1
54.81432	0.1
55.01857	0.7
57.03424	1.3
61.02907	0.3
62.90263	0.1
63.05883	0.1
65.10665	0.1
69.03402	0.9
71.01342	0.3
71.04967	0.7
73.02894	0.9
85.02888	2.0
89.06016	2.5
91.56075	0.1
92.09180	0.3
94.04024	0.2
97.02874	0.6
115.03910	0.2
119.03542	1.0
126.92763	0.2
134.65154	0.1
136.06166	100.0
137.04579	0.6
145.04924	0.3
170.01648	0.2
185.28981	0.2
268.10349	6.2
286.75995	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.139
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.5
69.03419	3.1
71.04978	91.9
73.02901	0.8
76.18607	0.4
81.03392	1.0
85.02886	12.5
89.06013	100.0
91.25008	0.4
92.08929	1.8
97.02859	3.3
117.43447	0.5
127.03877	0.8
136.06137	1.1
145.04950	1.0
173.37982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74471	0.2
53.00301	0.6
53.03938	0.2
53.75827	0.2
53.80651	0.2
57.03424	1.3
57.07055	0.6
61.02911	1.7
62.71542	0.2
67.05478	0.6
69.03418	2.9
69.07051	100.0
70.06564	0.2
71.04972	0.3
73.02901	0.4
75.40121	0.3
77.37195	0.2
81.03400	1.1
85.02885	11.2
87.08086	28.1
88.22173	0.3
89.06033	1.1
91.03896	0.3
92.08786	0.5
97.02856	2.3
100.14956	0.3
102.66049	0.3
105.03396	0.3
105.09119	6.6
106.34764	0.3
106.35516	0.3
108.47052	0.2
109.02867	0.6
120.08086	4.0
127.03902	1.2
128.57079	0.3
136.06187	0.7
145.04962	0.5
145.13762	0.3
156.96486	0.3
162.05515	0.3
167.07034	0.4
244.25999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88949	0.3
51.96648	0.2
53.00299	0.5
53.08569	0.3
53.46269	0.3
54.81842	0.3
55.01863	0.4
55.72181	0.3
57.03421	0.7
57.07059	0.5
58.45729	0.3
59.99487	0.3
60.33148	0.3
61.02911	0.7
67.05492	0.8
69.03416	3.4
69.07051	100.0
69.46213	0.3
73.02897	0.3
76.48515	0.4
80.00006	0.3
81.03397	1.1
84.30250	0.3
85.02885	14.0
87.08083	49.4
89.06023	0.5
92.08833	1.2
97.02860	3.5
103.89755	0.3
105.03368	0.4
105.09123	14.3
109.02869	1.3
127.03904	0.6
139.55925	0.3
167.07033	1.6
217.59274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1226
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
53.03939	2.9
54.32266	0.3
55.01859	0.7
57.03421	1.8
58.40302	0.3
64.88821	0.4
64.97768	0.3
66.72798	0.3
67.05470	1.5
69.03408	5.8
71.04967	0.5
79.05484	6.9
81.03400	9.0
81.07057	0.4
85.02893	5.2
87.24419	0.4
91.05466	9.4
92.08672	0.8
92.09258	1.2
95.04948	6.8
97.02874	1.4
99.04379	0.4
103.05434	0.8
104.11993	0.4
105.03376	50.5
105.04514	1.8
105.06993	4.9
107.04919	2.4
109.02858	1.8
115.05437	6.8
116.06213	4.3
117.06982	4.3
119.04871	0.4
119.08569	0.7
121.06458	0.9
123.04388	3.6
127.03873	0.8
128.06203	12.8
129.06979	28.5
130.07765	1.4
131.04904	1.8
131.08545	28.6
132.05681	2.2
133.06479	5.1
133.10106	2.1
141.06979	14.5
142.07758	5.9
143.08572	4.5
144.04602	0.7
144.05685	14.2
145.06474	7.2
146.07251	5.2
147.04359	2.2
152.06230	1.0
153.06966	3.7
155.04861	0.9
155.06000	1.4
156.05643	2.9
157.06456	12.9
158.07256	3.3
159.08029	41.2
160.05159	1.7
160.08752	0.5
161.05928	4.5
161.09593	7.9
167.06967	0.7
169.06407	1.8
169.07632	3.6
170.07233	11.9
171.04378	1.5
171.08002	11.0
172.05165	4.6
173.05971	6.1
174.06728	3.7
175.07480	4.7
178.06204	1.6
181.06317	0.4
185.05959	0.8
186.06721	1.8
187.07509	21.8
188.08325	1.7
189.05426	5.3
189.09059	8.1
190.06215	1.7
191.07013	2.6
192.07791	0.6
193.08571	0.6
198.06715	2.5
199.07515	3.4
201.05405	2.6
203.07011	9.9
204.07796	18.6
205.08580	3.2
206.09369	2.0
207.10115	0.7
207.13997	0.5
216.07794	5.0
217.08498	0.6
218.09334	2.4
219.10156	5.2
221.08125	1.6
221.11559	3.0
224.82249	0.4
231.10109	7.8
234.08893	1.6
249.11171	100.0
267.12146	0.4
267.15891	0.5
270.60736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.4
53.03941	6.3
55.01860	0.4
57.03416	1.5
60.58927	0.3
61.02898	0.5
64.90549	0.3
69.03414	9.1
71.04974	0.6
73.02879	0.3
73.28330	0.3
77.03896	0.7
79.05056	0.5
79.05478	11.7
81.02932	0.6
81.03397	12.7
85.02892	12.7
92.09035	1.7
95.04944	11.0
97.02885	3.0
99.04459	0.6
105.03374	100.0
105.04521	3.3
109.02882	3.2
123.04397	9.0
127.03892	2.0
161.13628	0.3
171.23897	0.4
249.07477	2.9
251.67513	0.4
267.08612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1224
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
51.75145	0.5
53.03934	3.2
55.01859	0.7
55.22767	0.5
57.03428	1.2
67.05527	0.6
69.03416	10.6
76.32230	0.7
77.03893	1.0
79.05476	8.2
81.03397	9.6
85.02892	9.1
91.05457	10.3
92.08680	0.6
92.09190	1.2
95.04957	8.9
97.02876	2.6
103.05457	1.2
105.03372	85.9
105.04531	2.7
105.06992	4.2
107.04909	2.1
107.85288	0.5
109.02867	2.6
115.05441	7.9
116.06203	5.2
117.06999	6.1
119.08515	0.6
121.06490	0.7
123.04393	7.5
127.03897	1.1
128.06203	11.9
129.06981	29.5
130.07805	0.8
131.04927	3.4
131.08545	28.0
132.05679	1.3
133.06470	4.1
141.06960	14.0
142.07756	7.6
143.08553	4.0
144.05681	16.3
145.06467	8.6
146.07246	5.0
147.04384	1.2
147.08037	1.3
152.06174	1.0
153.06996	1.3
155.06081	0.9
156.05688	3.0
157.06465	12.6
158.07256	2.8
159.04420	0.8
159.08018	47.1
160.05165	0.9
160.45592	0.6
161.05959	6.2
161.09573	9.6
167.04866	1.0
167.07068	1.0
169.06369	1.2
169.07611	4.0
170.07253	11.3
171.04384	0.7
171.08005	9.3
172.05174	5.4
173.05962	6.5
174.06735	3.8
175.07497	4.1
178.06271	0.8
185.06071	0.8
186.06706	1.0
187.07492	21.5
188.08275	1.4
189.05547	4.8
189.07321	0.9
189.09041	9.8
190.06255	1.2
191.06984	2.6
198.06741	3.2
199.07559	3.7
201.05478	1.2
203.06989	10.1
204.07771	19.5
205.08575	2.4
206.09447	1.1
216.07866	5.0
217.08553	0.9
218.09343	2.4
219.10162	4.2
221.08241	1.0
221.11707	2.8
231.10130	7.7
234.08865	0.9
237.11131	0.6
249.07289	2.7
249.11166	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	267.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.5
53.03724	0.3
53.03945	6.2
55.41772	0.3
57.03421	1.8
61.02910	0.4
67.28028	0.3
69.03416	10.3
71.04977	0.5
73.02901	0.3
74.95115	0.3
77.03903	1.3
79.05473	10.2
81.03400	13.4
85.02888	11.1
92.80139	0.3
95.04951	10.5
97.02861	1.8
99.04420	1.3
105.03374	100.0
105.04519	3.6
109.02875	4.0
123.04400	8.3
127.03926	3.0
151.12349	0.3
249.07562	3.0
249.09859	0.4
267.08582	0.7
275.43314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	0.2
51.02370	0.4
53.03940	5.1
54.81909	0.2
55.01861	0.8
57.03425	1.7
59.05011	0.2
61.02915	0.4
63.69929	0.2
69.03413	9.3
69.07046	0.2
71.04963	0.9
73.02895	0.3
77.03896	0.5
79.05476	9.7
81.03400	13.2
81.07018	0.3
85.02891	11.4
92.09033	0.3
95.04947	11.5
97.02860	2.6
99.04425	1.2
105.03375	100.0
105.04523	2.8
109.02857	3.7
123.04400	8.0
127.03895	2.5
133.73924	0.2
145.10068	0.3
249.07545	3.4
258.79895	0.2
267.08612	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.3
53.03717	0.5
53.03939	6.7
55.01848	0.6
57.03437	2.5
57.03650	0.3
61.02909	0.3
69.03070	0.5
69.03416	10.1
70.93802	0.3
71.04967	0.6
77.03915	1.1
79.05473	7.7
80.03455	0.3
81.02931	0.7
81.03401	18.8
85.02888	9.8
92.08843	0.4
95.04948	10.2
97.02346	0.3
97.02863	2.7
99.04427	1.4
105.03374	100.0
105.04517	3.4
109.02853	5.1
119.28803	0.3
123.04408	5.8
127.03912	2.5
128.28041	0.3
145.05019	0.5
158.28992	0.3
168.80348	0.3
170.75932	0.3
249.07489	5.3
267.08578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
54.81137	0.5
55.59466	0.2
57.03422	1.3
61.02892	0.4
69.03414	8.8
71.01365	0.3
77.03927	1.3
79.05477	11.1
81.03389	8.2
85.02892	15.2
85.18396	0.3
87.00378	0.3
91.05454	0.4
92.08635	0.4
92.09151	1.1
92.63276	0.4
95.04945	9.5
97.02861	1.9
99.04433	0.5
105.03372	100.0
105.04524	2.9
109.02862	1.8
123.04405	10.0
127.03878	2.1
129.06975	2.0
131.08542	0.7
137.72459	0.3
144.05667	0.5
157.06436	0.7
159.08005	2.7
170.07219	0.4
173.05934	0.3
176.02966	0.3
187.07542	0.7
189.08910	0.4
194.54274	0.3
203.07193	0.4
204.07787	0.6
246.59351	0.3
249.07507	1.9
249.11183	3.5
267.08569	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
53.03938	6.7
55.01836	0.7
57.03410	2.1
67.56239	0.3
69.03410	10.3
70.08453	0.3
71.04984	0.4
77.03904	1.9
79.05470	9.5
81.03397	16.4
84.99825	0.4
85.02374	0.5
85.02885	12.2
91.74281	0.4
92.08720	0.8
92.09235	0.5
95.04942	10.0
97.02861	2.6
99.04433	1.0
105.03369	100.0
105.04514	2.7
106.03725	0.5
109.02840	4.6
116.25801	0.4
123.04414	8.6
127.01311	0.4
127.03912	2.7
139.21732	0.4
249.07529	4.6
267.08829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
52.67295	0.3
53.03939	6.4
57.03419	2.1
58.67700	0.3
59.48495	0.2
61.02909	0.7
69.03067	0.7
69.03411	9.4
71.04964	0.4
77.03914	1.9
79.05473	11.2
80.29313	0.4
81.03396	7.6
85.02885	12.9
92.08907	0.6
95.04941	11.2
96.71052	0.3
97.02868	2.3
99.04480	0.4
103.62315	0.3
105.03369	100.0
105.04511	2.8
109.02868	2.7
123.04401	10.5
127.03840	2.3
129.07010	0.4
138.52698	0.3
157.91635	0.3
159.08131	0.4
249.07530	1.9
249.11209	1.5
267.08572	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.6
53.03935	6.0
55.01874	0.4
57.03431	1.0
59.15434	0.3
62.16481	0.4
62.78556	0.4
63.76255	0.4
64.32898	0.4
69.03066	0.6
69.03413	10.5
77.03917	0.9
79.05474	11.9
81.03400	9.5
81.16977	0.4
85.02888	13.1
92.09197	0.7
95.04951	11.3
97.02866	3.2
99.04398	0.6
105.03373	100.0
105.04520	3.3
107.08591	0.4
109.02848	2.9
114.19357	0.4
123.04401	9.5
127.03907	2.2
136.06197	0.9
139.58583	0.4
249.07600	2.1
249.11211	0.9
264.41632	0.5
267.08655	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
57.03425	1.5
57.07056	0.8
67.05508	0.4
69.03414	10.3
69.58173	0.3
71.04974	1.5
71.83162	0.3
74.14067	0.4
77.03901	0.7
78.34869	0.3
79.05051	0.6
79.05476	10.7
81.03397	12.4
85.02891	11.6
91.05448	0.4
92.08895	0.4
93.07018	0.7
95.04952	10.4
97.02863	2.1
97.89098	0.3
99.04426	0.9
105.03374	100.0
105.04515	3.3
109.02831	3.7
115.24953	0.4
121.02794	0.4
123.04401	8.4
127.03912	2.5
149.02316	4.1
194.39870	0.3
249.07477	3.8
267.08466	1.2
286.22260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.5
53.03941	6.2
54.82022	0.3
55.01849	0.3
57.03417	1.5
61.02909	0.4
66.36960	0.3
68.36094	0.3
69.03417	9.1
77.03918	0.6
79.05479	11.2
81.03406	8.6
85.02891	12.0
85.92110	0.3
86.68887	0.3
90.00719	0.3
92.08758	0.4
92.09309	0.5
95.04951	10.6
97.02160	0.3
97.02869	2.0
99.04444	0.7
102.21770	0.3
103.84569	0.3
105.03373	100.0
105.04522	3.0
105.07006	1.3
106.03745	0.3
108.06886	0.3
109.02864	2.9
111.31648	0.3
122.28999	0.4
123.04401	9.9
127.03885	2.2
146.03607	0.8
178.06235	2.1
198.68684	0.3
199.59213	0.3
200.83109	0.3
219.29189	0.3
249.07552	1.7
267.08432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.5
53.03937	8.7
55.01855	0.6
55.41544	0.3
57.03415	1.9
68.46296	0.4
69.03417	9.0
71.04998	0.4
77.03910	1.7
79.05473	7.8
81.02935	0.7
81.03399	21.4
85.02899	8.5
85.03382	0.7
87.52638	0.5
92.08771	2.3
95.04948	11.7
97.02865	3.4
99.04432	2.0
105.03374	100.0
109.02855	5.3
123.04408	5.8
127.03873	2.5
145.04930	0.4
249.07497	6.5
267.08569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
51.40818	0.2
53.03941	6.0
55.01842	0.4
55.05499	0.3
56.45414	0.3
57.03426	2.1
57.07058	1.7
58.04308	0.2
61.02917	0.3
61.38689	0.2
69.03413	9.9
69.07063	0.3
71.04979	0.4
71.08607	1.0
73.02886	0.5
77.03897	0.5
79.05476	7.9
81.03400	16.3
81.07036	1.1
85.02888	10.4
85.10139	0.3
91.05426	0.5
92.08891	1.6
93.07002	0.3
95.04944	11.7
97.02883	2.6
99.04422	1.0
105.03373	100.0
105.04525	2.6
109.02853	4.4
115.26002	0.3
123.04403	6.1
127.03896	2.8
145.10094	0.3
159.35686	0.2
249.07506	4.6
267.08582	0.6
267.15961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.3
53.03941	5.8
54.81901	0.3
57.03415	1.8
57.37191	0.3
61.02905	0.3
65.90676	0.3
69.03410	9.2
71.04976	0.4
77.03925	1.7
79.05054	0.6
79.05475	12.9
81.03393	8.0
83.27895	0.3
85.02884	12.1
92.08622	0.5
92.09196	1.5
95.04943	10.1
97.02872	2.4
99.04445	0.4
105.03371	100.0
105.04517	3.3
109.02853	2.2
110.99210	0.3
123.04419	9.7
127.03896	2.1
193.66199	0.4
249.07506	1.5
267.08676	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51562	0.7
53.00290	0.8
53.03925	3.1
54.08021	0.6
55.01857	3.2
55.05502	1.3
55.50910	0.6
57.03414	4.5
57.07038	0.7
61.02915	10.4
67.05503	0.8
67.19157	0.6
69.03415	19.7
69.07053	100.0
71.04958	1.8
71.08606	1.3
72.08144	12.1
73.02911	5.8
73.08458	3.5
79.05470	0.8
81.03398	7.1
81.07016	1.1
81.23091	0.7
85.02888	91.9
87.00820	1.9
87.04446	3.3
91.03944	7.2
91.05463	1.4
92.08817	2.4
92.09324	1.1
95.04951	1.5
97.02868	17.4
99.04425	4.2
105.03379	21.5
109.02867	8.3
126.52115	1.0
127.03888	18.1
136.02086	0.9
145.04939	32.8
147.49867	0.8
157.67021	0.7
163.05971	17.3
231.08563	1.0
231.12311	1.1
246.83157	0.9
286.96362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.3
53.03943	5.3
55.01857	0.5
56.61807	0.3
57.03419	1.7
69.03417	8.9
71.04980	0.7
73.86989	0.3
77.03910	0.5
79.05476	7.9
81.02931	0.6
81.03398	16.9
85.02885	10.1
91.05498	0.3
92.08643	0.4
92.09194	0.4
93.06992	0.5
95.04954	9.5
97.02877	3.5
99.04443	0.8
102.53685	0.4
105.03374	100.0
105.04523	2.5
109.02858	4.2
123.04426	6.0
127.03893	2.1
186.74864	0.4
212.46709	0.4
249.07487	3.9
267.08521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03941	8.4
55.01866	5.2
55.05491	16.0
57.03417	20.3
65.03912	7.4
67.05492	26.5
69.03419	98.4
71.04974	14.8
73.02882	3.0
75.80430	4.1
79.05475	28.1
81.03401	36.0
81.07015	14.7
81.27097	3.6
83.04959	18.1
83.61946	3.2
85.02888	33.2
87.17422	3.2
87.55596	3.4
91.05458	86.6
92.08620	6.4
92.09174	11.4
93.07038	46.0
95.04958	34.7
95.08594	14.9
97.02854	7.3
97.06568	4.5
98.97557	4.0
99.04434	6.6
103.05434	17.5
105.03373	8.4
105.07021	71.7
107.04949	7.6
107.08578	24.9
109.02847	5.0
109.06509	30.3
111.04417	29.2
111.08102	3.8
113.05992	5.6
113.56906	3.6
114.41233	3.5
116.06204	4.3
117.06994	24.9
119.08553	100.0
121.02834	8.2
121.06490	53.0
121.10105	7.7
123.08040	23.6
127.03893	18.9
128.06154	8.0
129.05481	3.6
129.06984	26.2
130.07739	5.7
131.08539	53.0
133.06435	17.0
133.10101	19.4
135.08029	57.9
137.09583	5.3
141.06993	5.6
142.07748	13.5
143.08571	22.6
144.05684	4.9
145.04842	5.6
145.06430	18.4
145.10117	34.1
146.07280	4.6
147.08054	43.1
147.11601	12.3
149.09637	5.4
151.24225	4.1
153.07034	5.7
155.08534	5.8
156.09285	7.0
157.10072	17.3
158.07236	16.8
159.08006	35.2
159.11639	30.7
161.05971	4.7
161.09584	24.9
165.09100	18.2
171.11635	4.9
172.08836	16.2
173.09587	15.9
173.13226	8.4
175.07524	53.5
175.11133	24.0
187.11171	34.4
189.09061	4.9
189.12704	6.1
193.08592	8.3
196.08777	6.7
199.11073	4.7
201.12772	27.3
203.10641	16.6
211.11169	6.9
217.12149	14.1
229.12213	16.0
247.13164	28.3
265.14246	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88883	0.8
52.36262	0.8
55.01864	1.1
56.05016	1.6
56.96563	9.6
57.03426	5.1
61.01134	1.5
61.02911	4.6
63.32647	0.9
65.90210	1.0
69.03419	11.1
70.06567	2.5
71.04958	1.0
72.08128	2.0
73.02905	6.5
77.00862	1.5
81.03401	4.8
82.99807	1.2
84.04495	7.0
84.08138	2.4
85.02898	17.5
85.06529	4.6
85.34241	0.9
86.03253	1.3
87.04465	1.8
89.57607	1.1
92.08958	2.5
95.04992	0.9
97.02878	7.7
98.97556	8.5
101.00873	31.7
101.50043	0.9
102.00954	1.2
102.05502	1.3
103.00659	1.2
103.02413	1.2
103.03938	1.1
108.04449	1.0
110.97539	2.1
115.02416	4.5
116.98600	4.7
119.01904	100.0
121.01584	2.4
122.07117	9.1
127.02370	1.5
127.03908	2.1
128.02336	1.6
128.98587	2.5
131.01874	1.9
133.03459	10.5
137.02931	14.4
139.02425	5.6
143.01877	14.6
144.04727	2.6
144.98105	5.5
145.03436	24.5
149.02869	1.5
151.04501	1.7
157.03459	43.6
158.99654	1.3
161.02940	28.3
162.99136	6.1
163.02737	4.4
163.04544	6.6
166.05280	1.1
175.02844	2.3
175.04492	32.2
181.05554	2.4
182.03471	1.1
187.04510	2.3
189.00719	1.8
205.00194	6.8
205.05553	8.2
214.36183	1.0
223.01158	10.1
223.06604	23.4
241.02275	1.5
241.07581	8.6
247.06615	4.5
265.02155	2.2
265.07660	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2004
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
53.03925	2.2
53.74794	1.8
54.79095	1.9
54.81593	2.3
55.05500	17.7
59.04995	2.8
67.05493	18.8
69.07054	10.4
71.04982	15.6
76.56355	2.3
79.05476	21.5
81.07037	44.2
83.08597	2.7
85.06546	13.5
91.04939	3.4
91.05460	37.7
92.08645	2.0
92.09136	4.7
93.07027	97.7
95.04943	13.3
95.08591	82.6
104.99277	16.7
105.07018	100.0
107.08586	26.4
109.06516	10.4
109.10156	11.1
111.08073	3.5
113.09633	76.0
117.07010	12.1
117.76750	2.2
119.08558	67.1
121.10130	26.5
123.08037	2.8
125.33436	2.1
130.07794	10.5
131.08553	44.4
133.10130	10.0
137.09593	10.6
142.07761	3.9
143.08559	12.0
145.10114	83.3
147.11670	58.2
156.09319	3.2
157.10103	15.9
158.10936	3.0
159.11688	19.3
161.13240	12.3
171.11688	13.7
172.12469	5.4
185.13260	2.5
187.14807	72.5
198.98892	4.4
205.15829	9.3
227.17955	5.2
245.18939	4.0
263.20102	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	263.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01857	0.4
55.05503	12.8
56.05016	0.8
56.96549	1.7
57.03428	3.0
57.07071	0.6
59.04711	0.6
59.04986	11.4
61.01141	0.4
61.02919	3.0
62.07320	0.3
63.18657	0.3
66.90363	0.3
67.05482	0.6
69.03414	7.0
69.07062	0.5
70.06587	0.5
71.04971	0.4
73.02903	1.7
73.06530	0.6
79.05453	0.7
81.03384	2.7
81.07039	1.6
83.04963	76.9
85.02885	16.1
87.04479	0.4
91.03915	0.6
91.05453	0.5
92.08972	0.7
93.07016	0.5
95.04964	0.8
95.08599	0.8
97.02876	5.0
98.97572	2.2
99.04399	0.6
101.05995	100.0
104.05305	0.7
105.03372	4.1
105.06985	0.6
109.02885	1.7
109.06492	0.6
111.04436	0.4
116.98597	0.8
127.03891	2.9
129.05382	0.5
133.06473	0.5
145.04922	2.5
161.01308	0.5
163.03775	0.6
167.84479	0.4
177.00609	0.4
237.02707	0.7
241.59093	0.4
245.10258	0.7
245.12543	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
53.31119	0.4
55.01873	0.5
55.05505	12.9
56.05044	1.7
56.96553	0.5
57.03427	1.0
57.07073	0.5
59.04991	12.9
60.05748	0.4
61.01133	1.9
61.02917	2.7
69.03413	8.0
71.04985	0.8
73.02917	0.7
77.64282	0.5
79.05482	0.7
81.03400	2.4
81.07054	0.8
83.04964	90.0
83.08607	0.6
85.02892	12.1
86.09686	3.0
91.05466	0.5
92.09010	2.5
93.07022	0.6
97.02869	5.4
98.97533	1.0
101.05995	100.0
103.05451	0.4
104.05305	1.8
105.03364	0.9
105.07000	0.6
107.04886	0.5
111.04406	0.8
119.04948	0.5
127.03892	0.8
127.08791	0.4
129.05455	0.7
145.04948	0.9
163.03836	0.7
182.99698	0.5
245.10143	1.0
245.12672	0.5
263.14023	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.6
57.03415	9.2
59.44891	5.6
61.02910	26.8
69.03397	42.8
70.06561	11.3
77.81099	6.7
81.03396	12.4
83.04958	26.6
85.02893	100.0
85.06528	12.0
92.09189	10.8
97.02860	37.9
101.05986	27.4
104.94025	6.9
109.02878	8.3
127.03911	10.5
133.03439	8.2
155.98109	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	263.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96862	8.3
64.21327	8.8
92.09012	40.5
100.54790	10.4
101.00824	14.1
102.34248	10.8
119.01882	47.2
143.01752	11.8
154.08997	9.7
161.02921	96.2
185.21716	12.8
203.04308	10.4
215.29533	11.4
227.39943	10.0
263.01648	100.0
263.05280	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	262.2374
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
52.02499	0.3
56.05014	0.5
57.07065	16.4
58.06581	3.1
68.05028	0.4
69.07071	0.5
70.06576	36.4
71.08614	8.6
72.06445	0.4
72.08153	0.5
80.39378	0.4
84.08109	0.6
85.09187	0.4
88.07612	49.9
92.08779	3.1
92.09399	1.2
102.09160	27.2
105.03404	0.5
113.05730	0.4
132.10196	0.9
150.11255	0.7
156.17458	2.7
163.38684	0.5
200.20061	83.6
244.22687	5.5
262.23712	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	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.03421	1.6
53.03926	3.6
55.05509	24.0
57.03421	1.9
57.07057	4.9
60.98042	2.2
67.05495	57.5
67.56241	1.8
69.07065	17.0
69.07355	2.1
75.87089	1.8
77.36429	2.0
79.05054	4.0
79.05478	78.8
81.06599	3.8
81.07039	72.6
83.08596	12.8
85.06517	2.4
91.05453	39.2
92.08807	3.7
93.07026	99.7
95.04932	4.6
95.08585	53.9
97.06507	3.0
97.10156	4.5
99.08042	5.0
105.07005	28.5
105.07617	2.7
107.08581	62.3
109.06560	2.0
109.10148	23.8
111.08059	4.1
112.76394	2.0
117.07007	5.5
119.08573	28.9
121.10126	59.2
123.11688	3.2
131.08527	20.0
133.10110	20.4
135.11679	40.0
145.10109	23.6
147.11681	13.9
149.13237	40.3
159.11662	14.8
161.13211	17.1
163.14801	26.3
173.13219	12.2
175.14749	3.8
177.16399	3.9
179.14240	3.4
187.14783	14.0
201.16415	3.2
215.17783	3.5
243.21043	34.1
261.22107	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	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03935	1.6
55.05501	19.4
56.63533	1.3
56.93898	1.1
57.07047	5.0
61.20067	1.1
67.05492	44.0
69.07057	14.9
73.65730	1.2
74.90908	1.4
75.15090	1.0
77.51980	1.2
79.05476	67.7
81.07039	66.2
83.08598	9.2
85.06521	6.0
91.05457	38.2
92.08730	1.5
92.09216	1.9
92.64727	1.2
93.07027	78.7
95.04936	5.4
95.08016	1.5
95.08590	40.8
97.06516	2.6
97.10164	1.7
99.08040	3.1
105.07032	19.9
107.08577	54.9
109.06502	2.4
109.10143	13.2
111.08068	1.9
117.07010	6.7
119.08569	21.2
121.10117	45.9
123.08022	1.4
123.11678	7.1
131.08548	19.5
133.10109	13.0
135.11674	31.1
145.10091	16.4
147.11639	12.1
149.13235	33.9
159.11646	10.5
159.94780	1.1
161.12080	1.5
161.13208	11.6
163.14775	22.9
173.13228	7.1
175.14749	2.4
177.16335	3.0
180.54997	1.4
187.14850	9.0
191.64027	1.4
201.16367	2.5
215.17873	1.9
220.99069	1.2
243.21042	30.7
261.22064	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	261.2211
Annotation	4,5-(methanoxyethano)isolongifol-4-ene
Peak:m/z	Relative Intensity
55.05504	18.2
55.13046	7.2
57.07060	8.1
63.66770	6.1
64.13561	5.8
64.70689	6.0
67.05495	50.3
69.07047	17.3
71.51627	5.9
77.91715	7.2
79.05482	62.2
81.07047	57.5
83.08638	9.5
91.05450	37.8
93.07026	87.5
95.08584	38.6
102.86306	8.1
105.07024	13.4
107.08569	69.2
109.10149	9.9
109.93011	9.0
119.08567	17.5
121.10135	36.1
124.97184	6.6
131.08545	18.7
133.10127	9.5
135.11655	15.7
145.10143	10.5
147.11638	11.8
149.13257	16.4
159.11674	13.8
161.13243	7.8
163.14783	29.9
173.13184	9.9
179.41782	7.4
187.14751	7.7
192.12596	7.5
212.56012	8.0
215.18045	13.0
216.21336	6.9
238.92653	9.7
243.21089	40.1
261.22049	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	261.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20730	0.6
53.03937	3.3
55.01851	0.7
55.05506	68.2
57.03430	7.1
61.02916	2.8
64.56882	0.6
66.04710	0.6
68.59621	0.7
69.03407	4.8
69.07062	6.7
71.04964	1.0
71.08615	1.0
73.02904	3.6
78.25453	0.6
79.05478	15.5
80.97776	0.7
81.03394	1.5
81.07039	100.0
83.08605	8.5
85.02895	20.4
85.03333	0.7
87.04420	0.7
92.09207	0.8
96.98621	0.6
97.02858	4.8
98.97571	0.6
99.08071	15.3
100.72518	0.5
127.03870	4.5
133.04942	2.3
145.04958	3.0
152.84387	0.6
202.69604	0.7
228.06728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01843	0.6
55.05503	72.8
57.03427	6.5
61.02912	3.0
69.03414	7.1
69.07047	7.6
71.01327	0.8
71.04970	1.3
71.08592	0.5
73.02895	3.1
79.05476	14.9
81.03412	1.4
81.07037	100.0
83.08596	8.9
85.02885	24.1
86.09731	0.8
91.03934	0.9
92.09106	0.8
97.02864	6.7
98.97555	0.7
99.08071	18.0
102.09171	0.8
109.02856	0.8
109.06555	0.6
115.03896	2.3
125.02329	1.1
125.62789	0.6
127.03927	2.8
133.04936	3.0
141.01788	1.0
145.04930	2.4
220.75340	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.97106	1.7
52.17639	1.7
54.50821	1.6
55.05504	19.5
57.07058	4.6
67.05492	54.7
69.07053	22.6
73.14471	2.3
79.05475	76.9
81.07041	64.8
83.08611	12.0
85.06541	3.6
91.05464	34.4
92.09209	17.3
93.07023	100.0
95.04922	7.5
95.08584	48.4
95.09136	3.6
99.08088	2.9
105.07018	28.5
107.08580	64.3
109.10132	17.6
111.08125	4.6
117.06980	3.6
119.08559	22.9
121.10111	51.1
123.11761	3.1
127.12763	2.3
131.08531	17.6
133.10118	16.1
135.11655	30.0
145.10120	25.3
147.11714	15.6
149.02309	3.6
149.13216	24.9
159.11690	13.7
161.13223	14.9
163.14781	20.5
173.13243	12.0
175.14793	3.9
177.16364	9.1
187.14781	7.5
201.16513	2.4
204.13896	2.8
205.14098	5.0
211.71423	2.3
215.17841	17.6
227.13179	2.4
243.21074	32.9
261.22089	96.8
261.24826	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	260.1968
Annotation	H-Lys-Leu-OH
Peak:m/z	Relative Intensity
51.15432	0.2
54.58873	0.2
55.05504	0.5
56.05030	3.5
56.96555	1.0
57.03427	0.3
61.02907	0.4
67.05494	0.9
69.03417	0.3
69.07054	1.0
70.06572	1.5
72.08147	2.9
83.06097	1.8
84.04489	9.1
84.08128	100.0
85.02879	0.9
85.08434	0.2
86.06067	0.3
86.09688	21.1
86.45480	0.3
87.04427	0.3
92.09244	0.5
94.06571	0.2
96.04473	0.4
97.02818	0.3
98.09631	0.3
98.97556	4.3
99.04482	0.3
100.07664	0.2
101.00797	0.3
101.07129	1.2
101.10767	1.6
107.74406	0.2
110.07198	0.3
112.07552	0.2
112.71677	0.3
116.98602	2.1
119.01933	0.3
126.06612	0.3
128.30031	0.2
129.10213	6.2
130.04979	11.8
130.08617	4.9
131.00200	0.3
131.11876	0.2
132.10181	0.9
132.32324	0.2
133.03436	0.2
134.99661	0.5
143.11772	0.2
146.09424	0.2
147.07622	7.0
147.11263	5.0
149.01137	0.2
152.14447	0.3
170.03658	0.3
170.05101	0.3
201.03949	0.2
214.10698	0.4
219.01837	0.3
226.14223	0.5
229.03142	0.3
242.15034	1.1
242.18655	0.5
243.13383	0.9
243.17010	4.1
260.08240	1.2
260.12454	1.2
260.16098	2.1
260.19702	13.7
261.05716	3.1
261.09338	2.3
265.73810	0.2
268.45731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73018	0.5
52.69806	0.4
53.03945	0.9
55.01871	0.5
55.05508	0.5
56.05019	2.8
56.96554	1.1
57.03417	0.9
61.02916	1.2
67.05492	0.6
69.03432	4.0
69.07046	2.1
70.06570	2.3
71.04971	3.0
72.08137	2.3
73.02902	0.6
80.68203	0.6
81.03391	2.2
82.06590	0.6
83.04958	0.7
83.06086	0.5
84.04496	9.9
84.08126	100.0
85.02879	4.2
85.08455	11.2
86.09161	0.9
86.09682	25.1
87.10027	2.2
97.02877	1.9
98.97577	3.1
99.04429	9.0
100.07591	0.6
101.00894	0.6
101.10747	1.0
102.05504	0.9
111.09171	0.7
112.07572	0.9
116.03438	0.8
119.01923	2.3
126.06609	5.3
129.10220	6.4
130.04985	9.4
130.08603	5.7
131.05333	0.5
132.10167	1.0
133.03439	1.2
136.06168	0.9
147.07602	5.9
147.11282	4.9
148.07928	0.9
157.03444	0.6
173.03125	0.5
175.04417	0.8
229.03191	5.5
243.04758	0.9
243.13280	0.8
243.16998	2.4
244.17422	0.6
260.16571	0.8
260.19653	10.5
261.02963	1.0
261.05814	34.8
261.09433	50.6
261.19940	5.1
271.60507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1604
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
56.05030	7.4
56.96550	1.4
66.75968	0.7
69.07053	0.9
70.06576	1.0
72.03069	0.6
73.02877	0.8
83.06089	67.6
84.04491	89.5
84.08138	3.8
85.02905	3.2
86.09692	100.0
87.99747	0.7
90.05524	0.9
92.09013	0.9
97.02882	0.9
98.06046	0.8
98.97569	12.1
101.07151	6.6
107.04910	0.9
116.98605	12.3
127.44286	0.8
129.06557	5.1
132.10176	23.7
134.99617	8.3
141.06572	1.4
145.68672	0.8
153.00784	0.9
157.13338	2.8
160.08685	1.1
177.00725	1.2
185.12877	0.9
190.95338	0.9
195.01753	1.4
196.14423	7.8
197.12834	16.7
214.05745	3.3
225.12306	0.9
242.14951	41.2
243.13341	21.0
260.15973	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2053
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.01867	3.2
55.05504	20.4
57.07061	3.9
67.05490	23.7
69.06715	3.4
69.07055	64.6
71.04662	2.3
71.04977	42.7
72.18239	2.3
79.05466	13.5
79.39143	2.3
81.07030	30.6
83.04942	11.9
83.08586	11.7
85.06530	23.0
85.60924	1.9
91.05456	23.8
92.08887	21.1
93.07014	36.5
95.04907	3.7
95.08575	27.4
97.06475	8.7
105.07017	57.6
107.08585	34.7
109.06475	19.0
109.10159	19.1
111.08074	44.3
113.99944	2.3
117.06997	13.2
119.08556	95.4
121.10100	19.5
123.11653	21.0
129.06946	2.5
130.07791	3.7
131.08530	26.2
133.10104	71.9
135.08022	21.9
135.11655	9.1
137.09572	3.1
143.08534	15.2
144.09305	4.5
145.10095	41.3
146.10982	2.5
147.11665	39.6
153.90451	2.1
156.09332	5.1
157.10107	14.5
159.11658	38.7
160.12440	8.5
161.09480	2.3
161.13222	70.6
170.10864	3.1
171.11635	17.7
173.13222	11.5
175.11256	3.7
175.14780	100.0
177.12793	3.7
183.11620	3.4
185.13237	13.7
189.16321	2.9
199.14832	2.6
201.16299	22.9
203.14319	5.3
215.17860	3.9
241.19426	11.9
259.20499	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	259.0963
Annotation	Benzyl 2-hydroxy-6-methoxybenzoate
Peak:m/z	Relative Intensity
51.02328	0.2
52.15601	0.1
55.05506	0.3
65.03932	1.8
67.05489	0.2
69.03431	0.1
69.07040	0.8
73.12411	0.2
79.05478	0.7
81.07046	0.4
91.05457	100.0
95.04942	0.2
95.08604	0.3
97.06513	1.7
105.07037	0.2
108.02081	0.2
117.03368	0.3
135.04396	0.7
151.03877	4.7
154.02641	0.3
163.03854	4.4
181.04884	1.8
181.06180	0.1
182.46846	0.2
215.07080	0.4
241.08485	1.2
259.09561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
54.46629	0.9
54.81618	0.9
55.01864	26.3
55.05502	15.6
57.03421	4.0
57.07060	1.4
64.42624	0.8
67.05489	28.7
69.03407	1.3
69.07051	8.4
71.04973	7.7
73.02872	0.9
79.05471	21.0
81.03407	1.3
81.07031	25.0
83.04961	54.0
83.08594	7.9
85.02876	6.5
85.06540	2.3
87.04462	3.3
91.05450	11.6
92.08788	1.3
93.03365	1.5
93.07018	31.5
95.04923	4.0
95.08588	7.4
95.10696	0.9
97.02893	1.0
97.06505	12.4
97.10145	4.4
98.97571	4.2
99.04436	7.2
99.08082	1.7
105.07014	7.4
107.04948	5.5
107.08573	18.8
109.06516	1.5
109.10139	9.1
111.04420	100.0
111.08057	32.2
113.06032	1.3
115.03915	11.8
116.98626	3.2
117.06994	5.4
119.08568	10.5
121.06484	1.7
121.10111	25.8
125.05964	5.0
129.05466	3.3
129.06985	3.8
131.08559	9.5
133.10109	1.5
134.99631	1.8
135.08058	1.8
135.11678	23.5
143.08551	1.5
145.06407	1.1
145.10094	20.9
147.08006	1.0
147.11647	2.3
149.09573	7.8
153.12711	27.3
155.08521	1.8
161.05966	1.7
163.03847	1.1
163.11140	44.3
163.12494	1.8
169.06673	1.1
173.02383	1.2
173.09584	9.2
181.12187	46.1
189.09145	1.1
191.10629	43.5
200.04729	1.0
209.11658	23.2
209.13608	0.9
214.18349	0.8
215.07040	1.8
227.12750	40.2
241.14323	5.3
244.92091	0.9
259.09677	1.8
259.20517	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70205	0.7
53.03941	3.4
57.03420	8.4
69.03420	1.4
75.04442	1.1
79.05461	5.9
81.03389	1.1
81.07020	1.3
85.02880	1.3
91.05473	1.9
93.07020	1.0
95.01290	4.8
95.04944	5.8
95.08552	1.0
103.05415	1.2
104.31698	0.9
105.03368	21.8
105.07001	43.9
107.04919	3.9
109.02837	1.2
113.02372	1.5
115.05435	1.4
119.01884	3.8
122.03629	4.6
133.06465	41.2
135.08037	1.0
137.05945	100.0
145.03439	1.2
157.03409	2.0
163.07468	1.3
165.09027	15.9
175.07497	1.6
177.09055	1.2
181.08556	1.0
183.10123	4.3
203.08502	0.9
203.10658	1.4
204.36284	1.1
220.80518	0.9
221.11710	1.7
223.06522	1.9
227.50945	0.9
230.24847	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08971	0.5
53.03947	0.7
55.01859	1.0
57.03431	8.5
64.67665	0.6
65.03896	0.6
65.39448	0.6
67.05511	0.6
67.64539	0.7
73.02923	0.7
75.04458	0.7
76.40894	0.6
79.05482	3.8
88.41564	0.7
91.05470	2.6
95.01318	1.4
95.04946	3.6
103.05457	3.7
104.84155	0.8
105.03369	12.8
105.07013	38.2
107.04935	3.4
109.06520	1.3
115.05446	0.7
119.01958	1.5
119.08566	0.8
121.06413	0.7
122.03631	4.1
131.04906	1.0
133.05432	1.0
133.06468	39.9
137.05959	100.0
147.04379	1.1
149.00621	0.8
157.03459	0.8
163.07529	4.8
165.09094	13.8
175.07544	1.5
176.65869	0.7
177.32066	0.7
183.10136	3.6
203.10699	0.8
218.37672	0.7
222.25821	0.8
234.58131	0.7
239.12750	0.8
247.99263	0.7
257.13876	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1129
Annotation	1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
Peak:m/z	Relative Intensity
52.47491	0.6
53.03929	4.4
54.82013	0.7
55.01851	4.1
55.05487	0.9
56.05016	4.0
56.51577	0.7
56.96544	1.1
57.03416	1.8
58.99473	0.9
61.02909	1.2
62.60931	0.9
67.05479	1.2
69.03404	8.5
69.07074	1.3
70.06562	5.2
71.01344	1.1
72.08123	2.0
73.02883	1.3
74.03211	0.9
80.04994	7.3
81.03384	0.9
81.04512	4.3
81.05773	1.9
82.06555	21.7
83.01317	1.6
84.04489	3.6
84.08126	9.6
85.02876	7.2
86.06086	1.0
95.01287	4.8
95.04936	1.6
95.06048	3.4
96.04465	5.0
97.02876	7.9
97.06435	0.9
98.06027	3.4
98.97546	1.8
101.02352	1.6
102.02686	1.3
107.04919	1.3
108.04456	100.0
109.05230	6.5
110.06049	0.8
110.07131	3.3
111.02652	1.1
111.05551	3.4
115.03889	3.8
116.98598	1.0
119.06100	0.8
121.01048	8.6
121.02824	1.1
125.07080	70.0
126.05463	1.4
126.07880	6.5
128.04181	1.3
133.02760	1.0
133.04924	1.0
134.05949	1.3
135.89311	0.7
139.02046	4.0
142.05858	1.7
149.00543	33.3
149.02281	17.1
150.05481	3.3
151.02103	1.5
151.03847	1.6
152.07016	1.2
158.05301	1.2
161.04396	1.1
167.01530	8.0
176.99953	7.9
192.06577	1.4
195.01164	1.2
222.07123	1.4
239.10353	1.0
240.08603	48.6
257.01031	7.6
257.11264	87.5
257.14847	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	257.0806
Annotation	Pinocembrin chalcone
Peak:m/z	Relative Intensity
52.37996	0.2
53.70708	0.2
60.15007	0.2
65.51825	0.2
67.01849	2.4
67.05489	0.2
68.99776	1.3
69.03417	1.5
79.05479	3.1
81.07032	0.3
83.01316	0.4
91.05461	2.6
92.09138	1.1
93.06996	0.3
95.04966	0.3
95.08607	0.2
97.02870	1.2
103.05449	23.0
105.03365	1.3
105.07019	0.5
107.04929	2.5
107.08603	0.3
111.00776	0.8
117.07021	0.4
119.08553	0.2
123.04394	1.3
125.02363	0.3
129.01825	0.2
131.04901	43.4
135.11774	0.2
145.06485	0.5
147.08041	0.3
149.79385	0.2
151.03920	2.4
153.01805	100.0
171.02866	2.6
173.05923	3.1
179.03375	1.4
191.06987	0.4
213.06317	0.2
213.13193	0.2
215.06941	1.2
239.07013	0.4
257.08026	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1951
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
53.99653	2.7
55.05508	27.1
57.07055	6.8
59.04992	3.9
67.05500	34.8
67.05780	4.7
67.33813	3.0
69.03398	6.4
69.07053	36.2
71.04972	50.5
73.06532	4.3
79.05480	42.9
79.96812	3.0
80.14159	2.8
81.07036	86.3
83.04963	3.7
83.08598	17.2
85.06522	13.0
86.84531	3.0
91.05466	38.7
93.07015	54.2
95.08580	61.6
97.06491	16.7
97.10148	6.6
99.08084	24.0
105.03347	4.1
105.07005	96.6
107.08576	53.8
108.04441	3.3
109.06480	5.8
109.10137	41.7
112.94102	4.4
117.07029	6.2
119.08581	24.9
121.10152	27.7
123.11668	17.6
125.09596	20.9
127.07534	5.3
131.08517	16.1
133.10107	100.0
135.11702	4.8
137.44617	2.8
139.11179	3.2
143.08441	3.8
143.10690	5.8
145.10092	19.0
147.11679	13.6
149.13252	20.9
151.11166	13.2
159.11653	12.4
161.13239	5.9
167.14246	15.7
177.16327	3.5
201.16322	6.3
214.90169	3.3
219.17422	14.3
237.18504	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	256.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01863	11.4
56.01611	0.3
57.03428	22.9
59.04989	10.2
61.02633	0.7
61.02916	12.3
64.03690	0.3
69.03416	19.7
71.01338	6.5
71.04981	5.7
73.02899	12.1
75.04456	1.8
77.06026	1.8
78.41926	0.4
81.03390	7.0
83.01316	4.8
85.02889	100.0
87.00763	0.5
87.04451	11.5
89.02370	2.7
91.03939	5.2
92.08780	0.7
92.09258	0.5
95.01323	0.6
95.12748	0.4
97.02869	23.2
98.97559	0.4
99.04437	4.8
101.02363	20.5
103.03911	3.2
109.02866	7.8
111.00781	2.5
113.02382	0.7
115.03905	22.9
119.03399	0.9
123.05521	1.6
123.25562	0.4
124.03916	7.9
124.05883	1.8
127.03883	20.5
129.01813	30.2
133.04924	3.9
137.46762	0.4
141.01836	1.0
143.03365	9.3
145.04939	26.6
147.02913	0.8
157.01294	20.6
159.02892	0.5
161.04434	9.7
163.05971	13.1
169.24400	0.4
171.02844	7.9
175.02306	0.9
189.03899	31.7
203.05472	11.0
207.04994	2.6
221.06482	4.4
224.07716	0.5
239.11183	2.8
254.67174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67249	0.2
55.01864	1.8
57.03428	4.0
59.04981	0.4
61.02914	1.5
69.03413	2.4
71.01320	1.0
71.32744	0.2
73.02899	5.9
78.03418	0.5
80.04990	2.7
85.02892	2.6
87.04444	0.4
96.04462	0.8
97.02846	0.9
106.02894	8.0
115.03897	1.1
123.05524	100.0
124.03891	0.3
133.04944	1.7
141.68152	0.2
149.67566	0.2
188.50404	0.2
255.06197	1.0
255.09741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99653	2.7
55.05508	27.1
57.07055	6.8
59.04992	3.9
67.05500	34.8
67.05780	4.7
67.33813	3.0
69.03398	6.4
69.07053	36.2
71.04972	50.5
73.06532	4.3
79.05480	42.9
79.96812	3.0
80.14159	2.8
81.07036	86.3
83.04963	3.7
83.08598	17.2
85.06522	13.0
86.84531	3.0
91.05466	38.7
93.07015	54.2
95.08580	61.6
97.06491	16.7
97.10148	6.6
99.08084	24.0
105.03347	4.1
105.07005	96.6
107.08576	53.8
108.04441	3.3
109.06480	5.8
109.10137	41.7
112.94102	4.4
117.07029	6.2
119.08581	24.9
121.10152	27.7
123.11668	17.6
125.09596	20.9
127.07534	5.3
131.08517	16.1
133.10107	100.0
135.11702	4.8
137.44617	2.8
139.11179	3.2
143.08441	3.8
143.10690	5.8
145.10092	19.0
147.11679	13.6
149.13252	20.9
151.11166	13.2
159.11653	12.4
161.13239	5.9
167.14246	15.7
177.16327	3.5
201.16322	6.3
214.90169	3.3
219.17422	14.3
237.18504	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1952
Annotation	Yingzhaosu B
Peak:m/z	Relative Intensity
50.40487	1.0
53.75918	1.3
54.81839	1.5
55.05501	23.3
57.03455	1.4
57.07058	6.9
57.86753	1.2
59.05000	2.0
61.02919	2.4
67.05491	39.6
69.07053	30.0
71.04971	20.7
79.05475	20.4
81.07040	100.0
83.04963	1.5
83.08596	21.8
85.06536	18.6
91.05455	18.3
92.08850	1.7
93.07018	54.9
95.04930	2.5
95.08585	89.7
97.06522	3.3
97.10155	7.0
99.04436	44.3
99.08074	2.5
105.07008	26.0
107.08577	50.6
109.06497	9.4
109.10138	56.8
111.08060	6.1
117.07029	2.4
119.08553	39.2
121.09248	3.4
121.10120	82.1
123.08040	5.4
123.11674	49.9
125.09612	6.9
127.07515	7.5
131.08549	9.4
132.34221	1.6
133.10080	14.2
133.91647	1.4
135.11685	20.1
137.09514	2.4
145.10114	16.5
149.09608	2.8
149.13264	6.4
157.10139	1.5
159.11664	23.9
161.13220	27.9
163.11176	8.0
173.13261	1.8
175.14738	12.9
177.11292	1.6
177.12721	6.6
177.16353	51.4
179.14259	6.1
181.12231	7.5
191.17938	6.4
196.23160	1.5
201.16447	18.0
219.17416	29.0
237.18431	42.5
255.19551	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	254.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93941	1.7
53.81416	1.7
55.01866	2.6
60.99461	2.0
61.02915	17.4
68.28227	2.0
69.70403	2.0
71.01352	16.3
71.57095	1.9
75.04459	31.9
81.04532	4.5
86.51620	2.4
87.04446	14.5
89.02340	2.1
89.75678	1.9
94.56665	2.2
103.03925	44.3
120.08062	4.5
131.03368	9.1
159.02849	87.5
187.02348	5.4
219.04959	100.0
267.79321	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	254.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81814	1.3
55.01847	6.4
55.05494	4.2
56.96552	0.9
57.03416	5.3
59.04991	1.7
61.02907	8.8
68.99772	2.4
69.03415	27.5
71.01334	79.1
71.04986	1.4
73.02882	4.9
73.06537	1.4
73.50916	1.2
75.04457	22.5
75.09351	0.9
75.34458	0.9
75.81572	1.1
81.03388	2.0
84.00821	1.4
84.08099	1.0
85.02879	23.7
87.04433	2.4
92.08665	1.3
92.09214	4.2
97.02859	13.2
99.00791	2.5
99.04411	6.9
101.02338	8.1
103.03922	30.6
110.07135	1.9
111.00756	4.2
113.02338	7.6
116.03370	1.4
117.01837	9.3
119.03391	2.2
121.54616	1.0
127.00278	9.0
127.03894	13.5
129.01799	5.4
131.03375	57.9
133.04909	6.2
136.06171	1.4
141.01805	6.1
143.03389	2.5
144.02919	1.2
145.01268	2.7
145.04936	23.2
147.02806	1.2
153.05481	1.5
157.04918	17.3
159.02852	100.0
163.05977	2.5
173.04343	5.0
191.05495	10.0
195.11220	1.3
201.03986	2.4
201.07507	1.3
219.04945	67.6
219.08281	1.8
237.06038	9.0
249.10643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97848	2.0
55.01864	10.7
61.02917	11.2
65.98164	2.2
68.58628	2.2
71.01334	11.7
75.04463	23.2
78.05473	2.1
83.01328	5.4
87.04459	9.4
89.02377	2.9
92.09137	9.1
103.03903	29.3
115.03944	9.7
131.03383	3.9
159.02849	66.0
199.06470	2.8
219.04967	100.0
232.22432	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
54.81107	0.6
55.01868	2.1
55.05510	12.2
57.03427	6.6
58.40471	0.4
61.02921	11.0
69.03423	21.6
71.04974	2.2
73.02906	5.3
73.06542	42.5
76.42973	0.5
77.48119	0.5
81.03403	7.1
83.01307	0.6
85.02895	100.0
87.04451	2.9
91.03932	3.7
92.08751	0.7
92.09211	0.9
97.02873	22.4
99.04444	2.3
103.03905	0.7
109.02875	7.5
114.35895	0.7
115.03904	0.9
120.08097	2.1
127.03910	15.8
129.70279	0.6
145.04956	13.4
163.06039	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	250.1799
Annotation	Nupharidine
Peak:m/z	Relative Intensity
53.05682	1.2
55.05484	2.1
57.03418	2.1
67.05479	8.2
69.07050	3.2
71.04974	1.5
74.72024	1.1
79.05471	2.9
79.39623	1.3
81.03386	1.8
81.05783	1.6
81.07037	5.3
82.03742	2.0
83.04934	1.4
85.06531	2.1
85.90285	1.3
91.05452	7.6
92.08748	1.4
93.06995	9.6
94.06537	2.1
95.04934	5.5
95.08572	8.6
96.05270	1.4
96.08119	37.8
97.06507	14.0
99.08108	1.7
105.03352	11.5
105.07001	5.3
106.03693	10.3
107.08571	8.2
108.08092	7.1
109.06531	2.1
109.08882	2.9
109.10135	12.3
112.07584	2.5
114.09142	5.5
119.08567	6.3
121.06501	3.3
121.10104	5.3
122.05965	1.7
122.07249	1.6
122.09650	13.9
123.04401	2.3
123.08031	2.6
124.07529	1.7
124.11213	3.4
129.06552	1.9
130.07372	2.6
131.08543	6.0
132.08868	2.4
133.10115	8.5
134.09625	68.1
135.08041	3.0
135.11691	1.5
136.11150	3.0
137.09605	16.4
138.09117	1.9
142.07376	1.4
145.06032	1.8
147.11682	10.2
148.11224	2.6
149.13223	3.1
151.11188	1.5
154.12219	8.0
158.06813	2.0
159.11630	2.4
160.08359	3.0
160.11212	1.8
161.09526	1.7
162.12743	2.5
166.12234	11.7
173.13199	7.2
187.14581	1.4
190.15877	5.5
191.14281	28.0
192.13797	2.6
205.08104	2.0
217.82431	1.5
232.16914	11.6
233.15340	2.5
250.11559	13.1
250.17963	100.0
250.20567	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.157
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03400	1.3
79.97628	0.5
81.03365	0.8
85.02888	1.5
88.08228	0.6
92.09152	2.2
95.04917	0.7
97.02857	1.2
105.03374	2.4
136.76204	0.7
163.03793	0.8
249.15686	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	249.1847
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03935	2.2
55.05492	20.0
57.07057	4.1
67.05481	4.6
69.07040	10.8
75.16152	3.0
77.60230	2.7
79.05475	12.5
80.64612	2.7
81.07020	6.7
83.08585	4.2
91.05463	6.0
92.08997	4.1
93.07023	21.3
95.08582	18.9
105.03367	13.0
105.07005	24.4
107.07948	2.6
107.08559	25.8
108.90449	2.8
109.10130	7.0
119.08580	36.9
121.10112	13.3
133.10112	43.1
135.11653	3.2
137.87347	3.1
145.60088	3.0
147.11623	25.0
153.09102	3.6
161.13200	14.0
163.13156	3.7
163.14503	2.7
167.10611	3.7
170.16789	3.2
175.14771	4.3
203.17909	100.0
249.18835	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	250.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
55.05484	0.4
57.03408	0.6
58.67788	0.2
60.17054	0.2
61.02901	1.3
64.39263	0.2
65.82092	0.2
69.03407	2.8
70.06253	0.2
70.06560	2.2
71.05010	0.3
77.45008	0.2
81.03404	1.2
83.04967	0.3
85.02889	12.2
88.07607	100.0
92.09079	0.4
97.02877	1.4
109.02855	1.3
125.06024	0.3
127.03890	1.5
145.04932	0.5
152.19934	0.3
163.34518	0.2
167.85318	0.3
224.03851	0.2
232.58177	0.2
250.12885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1119
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
57.03428	1.4
64.54443	0.8
66.00414	0.9
69.03418	1.8
74.24294	0.8
80.17273	1.0
81.03374	1.7
91.05460	11.4
92.09031	4.9
97.02876	1.9
98.74339	0.9
103.05430	1.3
105.03358	6.5
105.07011	2.3
107.04941	1.9
115.05423	9.3
116.06204	4.6
117.06970	4.8
120.17896	0.9
121.06472	1.6
128.06194	15.9
129.06976	37.2
131.04884	1.2
131.08533	29.2
133.06497	4.6
133.10069	0.9
141.07004	16.0
141.28543	0.9
142.07794	8.2
143.04834	1.3
143.08521	5.2
144.05693	17.7
145.06470	10.1
146.07217	4.3
147.04369	1.1
152.06139	1.6
153.06941	1.9
155.05949	3.3
156.05676	5.0
157.06436	15.6
158.07262	3.9
159.08020	41.4
160.05083	1.8
161.05914	7.5
161.09593	10.6
164.92290	1.1
167.06982	1.0
169.06374	1.5
169.07614	2.1
170.07278	13.1
171.04417	1.6
171.07967	7.9
172.05191	5.5
173.05923	4.8
174.06714	2.4
175.07515	5.3
187.07513	17.9
189.05457	7.2
189.09070	8.0
190.06140	1.5
191.06982	2.0
198.06657	1.8
199.07584	1.6
201.05487	3.6
203.07005	12.3
204.07765	19.4
205.08653	1.1
206.09448	1.6
216.07793	6.7
221.07930	1.1
221.11755	2.1
231.10078	6.4
249.11168	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	249.1118
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
50.16505	0.8
50.36619	0.7
53.03937	16.2
55.05503	1.1
57.03417	1.4
67.05475	1.4
69.03095	0.9
69.03402	6.9
77.03854	1.4
79.05473	6.3
81.03400	32.9
83.64983	1.0
91.05461	9.6
92.08678	1.2
92.09180	2.2
94.24741	0.9
95.04933	14.2
97.02871	14.1
98.97534	2.2
99.04425	2.0
103.05460	1.3
105.03374	100.0
105.07034	7.6
106.73161	0.9
107.04909	3.4
109.02864	9.0
115.05437	8.9
116.06213	5.1
117.06988	4.9
123.04415	5.1
127.03833	1.7
128.06177	13.4
129.06982	35.3
130.07761	1.2
131.04913	3.9
131.08545	28.1
132.05676	2.2
133.06467	4.8
133.10094	1.7
137.09575	1.2
141.06946	15.2
142.07787	8.3
142.72093	1.0
143.04871	1.1
143.08575	4.9
144.05688	17.9
145.06482	9.0
146.07211	5.6
152.06174	1.6
153.06976	3.9
155.06026	1.4
156.05717	1.7
157.06473	15.6
158.07288	4.7
159.04335	1.3
159.08037	35.8
160.05159	2.0
161.05951	3.5
161.09569	7.9
167.06993	1.6
169.06413	3.6
169.07625	1.1
170.07210	13.8
171.08003	8.4
172.05161	5.3
173.05974	5.4
174.06711	4.2
175.07507	3.9
178.06322	1.5
179.38153	0.9
179.39847	1.1
185.05966	1.3
187.07513	19.7
188.08228	1.8
189.05357	4.7
189.09055	10.0
190.06079	1.2
193.08655	1.0
198.06729	1.6
199.07498	2.0
201.05504	3.9
203.07082	10.5
204.07759	16.2
206.09352	1.0
208.21422	1.4
216.07822	6.2
218.09473	1.2
221.08049	1.4
221.11668	1.8
231.10062	7.8
249.07527	6.4
249.11169	86.1
268.29974	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.8
53.03683	0.5
53.03939	14.2
54.28259	0.3
63.90904	0.4
67.05480	0.5
69.03404	4.9
71.04970	0.5
77.03915	0.7
77.88567	0.3
79.05473	6.1
81.03397	26.7
81.07059	1.3
85.02925	1.3
91.05466	0.4
92.08999	3.0
93.07053	0.5
95.04942	13.7
95.08573	0.6
97.02875	12.4
98.50862	0.4
98.97572	1.4
99.04436	3.1
105.03373	100.0
105.04520	3.6
105.06994	0.6
109.02865	8.7
109.10160	0.6
111.41428	0.4
119.08488	0.5
121.10082	0.5
123.04414	4.4
127.03896	1.9
131.08577	0.8
135.27464	0.4
149.09700	0.4
159.08058	0.4
176.58867	0.4
177.00586	0.4
223.45927	0.4
249.07526	5.3
249.11333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.03941	13.6
53.31477	0.3
55.01841	0.3
56.98267	0.3
60.69586	0.3
62.17809	0.3
69.03419	3.6
69.03739	0.5
71.04975	0.8
77.03902	1.2
79.05474	7.4
81.03399	21.7
85.82778	0.3
91.94895	0.3
92.09039	1.6
93.07014	0.4
95.04334	0.3
95.04948	11.4
97.02872	12.6
98.97598	0.6
99.04468	2.5
105.03374	100.0
105.04523	2.8
106.03743	0.3
109.02856	7.8
116.98597	0.4
123.04408	4.8
127.03902	1.9
145.40031	0.3
249.07544	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	249.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28581	0.2
51.02364	0.5
53.03689	0.4
53.03939	13.1
53.90441	0.2
55.01859	0.5
55.05487	0.3
63.36162	0.2
64.72376	0.2
69.03136	0.2
69.03423	3.5
70.06575	0.2
71.04956	1.0
77.03904	1.1
79.05476	6.5
81.03396	19.7
81.07013	0.3
88.07568	0.3
92.08886	1.6
92.09394	0.2
93.07017	0.3
95.04945	13.1
97.02867	15.6
97.03493	0.5
97.10233	0.2
99.04414	2.2
105.03369	100.0
105.04512	2.9
109.02859	7.5
118.00086	0.3
123.04412	4.8
127.03915	1.9
151.56686	0.2
167.12051	0.3
188.34933	0.4
196.64487	0.3
211.34398	0.3
218.88863	0.3
248.24768	2.9
249.07526	4.8
249.25122	0.5
255.08603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.6
53.03936	13.8
57.03421	0.7
60.10862	0.4
67.05499	0.5
69.03409	7.1
71.04965	1.0
71.45722	0.4
77.03889	0.9
79.05474	7.3
81.03394	35.2
81.07023	2.0
85.02887	0.9
85.06518	0.6
91.05471	0.7
93.07021	1.1
95.04941	12.8
95.08556	1.1
97.02863	11.7
98.97559	2.1
99.04438	2.1
105.03367	100.0
105.04513	4.0
105.07010	2.8
107.08575	0.7
109.02846	9.1
118.07517	0.5
119.08521	0.8
123.04414	5.3
127.03900	3.1
127.97707	0.4
129.06953	1.1
131.08527	1.9
133.06487	0.7
133.10074	0.8
143.08546	0.8
144.05626	0.5
145.10057	0.7
149.64441	0.4
150.14597	0.6
157.06467	0.6
159.07983	0.9
170.07222	0.7
189.09074	0.6
249.07510	8.8
249.11125	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.3
50.83895	0.3
53.03939	14.1
53.97556	0.3
55.01854	0.3
57.03405	0.4
60.21436	0.3
60.21727	0.3
68.32143	0.3
69.03416	5.5
71.04982	1.3
76.60539	0.4
77.03902	0.8
79.05471	6.7
81.03398	30.5
84.72449	0.3
85.02868	0.4
92.08751	0.8
92.09332	0.7
95.04940	12.4
95.05516	0.6
97.02865	13.9
99.04431	2.9
105.03370	100.0
105.04518	2.7
109.02146	0.5
109.02857	9.3
123.04417	4.5
127.03901	2.0
129.16931	0.4
249.07530	5.6
249.11241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95986	0.3
51.77056	0.3
52.78125	0.3
53.03716	0.6
53.03940	10.7
53.79421	0.4
55.01843	0.6
56.96565	0.4
63.57674	0.4
67.05498	0.3
69.03420	5.8
71.04972	0.9
73.02903	0.5
77.03900	0.9
79.05473	5.0
81.03399	29.7
85.02875	0.5
87.04446	0.4
91.05473	3.3
92.09014	2.5
95.04943	12.2
95.87533	0.4
97.02869	11.4
98.97576	3.6
99.04440	2.6
105.03374	100.0
105.04517	3.8
105.06981	0.5
109.02867	9.3
115.05445	1.6
116.06188	0.6
116.98625	0.5
117.07020	0.9
119.77654	0.4
123.04414	3.9
127.03893	2.0
128.06189	4.0
128.98532	0.4
129.06966	7.0
131.04901	0.7
131.08540	5.1
132.90950	0.4
141.06984	3.7
142.07788	1.8
143.08525	0.9
144.05634	2.9
145.06479	2.5
152.06204	0.5
153.06935	0.6
155.06024	0.7
156.05650	0.6
157.06483	4.3
158.07237	0.6
159.08017	9.1
161.06044	0.6
161.09590	1.8
170.07283	3.9
170.62410	0.4
171.08028	2.7
172.05161	1.8
173.05891	1.5
174.06700	0.7
175.07581	0.8
187.07518	4.6
189.00682	0.7
189.05482	1.8
189.09064	1.9
198.06685	0.7
203.06990	3.2
204.07788	3.8
216.07823	1.0
221.11723	0.5
231.10184	1.7
249.07533	6.9
249.11179	18.2
253.58598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1691
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.30152	3.0
52.83250	2.7
53.00342	2.8
55.05491	16.6
64.38432	3.0
67.05473	15.5
69.07053	9.1
69.65807	3.8
79.05475	6.6
81.07031	16.0
83.08624	4.9
88.87454	3.2
89.01846	3.3
91.03700	3.3
91.05441	22.1
93.07018	39.4
95.08585	25.5
104.99245	5.5
105.07004	50.1
107.08573	45.0
109.06525	4.6
109.10146	6.0
117.06982	14.0
119.08559	61.2
121.10097	5.5
131.08545	58.6
133.10094	100.0
145.10104	57.4
147.11671	6.5
157.10121	8.0
159.11627	49.3
161.13216	5.9
163.07530	4.3
163.14264	4.2
173.13165	26.3
177.09029	30.5
197.00774	3.6
201.16338	98.2
203.17857	4.5
215.80270	3.9
225.00963	4.1
227.99176	3.9
229.15753	5.3
247.16876	21.5
256.26007	4.1
261.72659	3.5
267.53244	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	249.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71243	5.9
53.24078	6.7
55.91767	5.3
56.68119	5.5
57.39377	5.7
67.06853	6.9
68.99790	5.9
92.08984	52.0
100.51843	6.5
101.00892	7.9
104.10759	8.3
119.01926	36.9
161.02881	9.9
249.03671	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	249.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.03941	13.9
54.81433	0.4
55.01871	0.5
57.03429	0.6
69.03419	5.0
69.07054	0.6
71.04970	0.6
77.03915	0.4
79.05475	7.3
80.16314	0.4
81.03397	27.3
81.07007	0.5
87.12653	0.3
92.73782	0.4
93.07028	0.5
95.04948	13.6
97.02860	13.8
98.97551	0.7
99.04440	2.8
105.03373	100.0
105.04520	3.7
105.06998	0.8
107.70631	0.4
109.02863	9.0
116.04950	3.9
119.08591	0.5
123.04399	6.0
127.03923	1.6
152.87822	0.4
159.40234	0.3
189.05363	0.4
211.02737	1.6
239.60933	0.4
248.24895	2.7
249.07536	5.9
249.25099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.169
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05500	20.9
56.12157	3.7
59.94032	4.2
60.39484	4.6
67.05486	7.2
69.07053	18.5
77.77114	4.7
79.05482	20.1
81.07031	10.4
91.05454	36.5
92.08987	41.1
93.07029	51.8
94.11124	4.7
95.08582	40.4
104.99257	9.8
105.07021	76.3
107.08559	38.8
117.07001	9.5
119.08574	70.1
121.10133	10.9
131.08546	61.3
133.10092	100.0
143.65953	4.9
144.09344	7.4
145.06442	4.8
145.10123	78.8
147.11655	6.5
159.08040	10.4
159.11623	56.4
161.13136	6.0
163.07469	8.7
173.13226	31.1
177.09073	68.5
201.16356	79.3
203.17928	8.9
229.15746	6.5
232.10561	4.5
235.36121	5.2
247.16866	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1691
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
52.26078	1.5
52.61004	1.4
55.05505	19.5
57.07066	2.1
60.00446	1.7
60.33796	1.8
62.03558	1.7
66.98740	1.7
67.05486	11.4
69.07059	10.2
71.10112	1.5
74.42757	1.5
79.05467	8.5
81.07022	12.7
83.08609	6.7
88.56519	1.8
91.05467	34.0
91.33263	1.6
93.07028	36.4
95.08591	29.4
103.05501	1.8
105.07008	65.3
107.08574	51.5
109.06512	2.8
109.10170	7.8
110.07706	1.9
115.05435	2.8
117.06990	18.9
118.07800	2.1
119.08554	68.1
120.47157	1.8
121.10135	11.0
129.06961	4.1
130.07799	3.0
131.08545	74.4
133.10112	100.0
135.08040	2.1
139.07529	2.0
143.08546	3.0
144.09360	4.0
145.10109	66.1
147.11694	11.9
149.09619	9.5
153.09134	2.0
157.10109	7.8
158.10902	2.1
159.08072	9.6
159.11658	49.9
161.13232	8.3
163.07570	10.6
164.14796	1.9
171.11737	2.7
173.09666	2.4
173.13220	21.8
175.14731	2.1
177.09088	54.3
183.11633	2.0
186.14020	3.6
187.11118	4.3
196.64409	1.9
201.14520	3.4
201.16367	86.8
203.17998	9.8
219.17442	3.4
229.15851	11.8
241.08542	2.4
247.16875	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	247.1327
Annotation	[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
53.03931	11.2
53.16839	2.1
55.01851	2.4
55.05510	4.9
55.09575	1.9
56.96563	4.3
65.03906	4.2
65.20589	2.1
66.97424	2.0
67.05485	5.1
69.03416	21.0
79.05470	15.6
81.07050	15.5
81.73311	2.3
83.04978	17.4
91.05463	26.6
92.08893	6.9
93.03384	2.9
93.07012	20.4
95.03956	2.3
95.04927	12.2
97.02877	4.3
98.97548	4.6
99.09475	2.5
105.03399	26.6
105.04501	2.4
105.07014	21.9
107.08575	25.2
109.02872	25.8
109.06509	19.1
111.04433	3.1
117.03403	2.7
117.07018	9.7
119.08544	27.9
119.36195	2.1
121.02855	3.5
121.06483	29.0
121.10117	13.9
123.08035	2.3
128.06230	3.8
129.06992	8.5
130.55850	2.0
131.08574	35.1
133.10132	13.1
135.08031	33.3
143.08536	15.5
144.09311	18.8
145.01764	3.0
145.02928	2.6
145.06473	12.5
145.10136	18.6
147.08096	3.0
149.09610	26.3
151.11215	3.1
153.09160	2.5
155.08572	5.1
157.10068	3.2
158.07288	2.6
158.10857	23.8
159.08008	13.6
159.11674	35.5
160.08800	3.0
161.09579	3.7
163.02739	3.9
163.07558	17.7
168.09293	4.0
170.10835	3.0
171.08008	11.2
172.08810	19.3
173.09590	26.5
173.13223	51.2
183.11649	5.3
186.10371	38.6
187.11150	100.0
191.07036	25.6
196.08742	3.3
201.12721	53.2
205.12254	8.7
211.11189	9.5
229.12196	39.7
237.02907	2.7
247.13141	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1857
Annotation	Ile Ile
Peak:m/z	Relative Intensity
51.44224	0.2
55.43773	0.2
64.97127	0.2
67.25375	0.3
69.07052	0.3
86.09693	100.0
91.05537	0.4
92.08830	2.2
121.55101	0.3
132.10204	2.0
199.17995	0.5
245.18562	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	247.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17506	1.3
54.02700	1.1
56.52562	1.4
57.76406	1.2
70.92780	1.6
72.08115	7.9
77.16051	1.4
86.09686	2.8
87.32107	1.4
88.03951	1.8
94.58166	1.3
99.96256	1.3
104.45608	1.4
117.70624	1.3
121.33628	1.4
133.11961	1.3
141.77335	1.6
229.03160	25.7
236.58269	1.5
247.04175	100.0
247.07813	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	247.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91012	0.6
53.00306	0.8
53.03929	3.1
55.01859	4.5
55.05498	4.4
56.96548	3.0
57.03428	10.2
57.07061	4.3
59.04967	0.9
61.02630	1.2
61.02917	16.9
61.03219	1.4
62.46924	0.6
65.03922	1.4
67.05491	10.5
69.03416	40.2
69.07046	1.6
70.06572	0.8
71.01325	1.5
71.04967	4.0
72.08143	18.3
73.02899	6.3
79.05476	4.9
81.03397	14.9
81.07025	5.7
83.01304	1.5
83.04967	5.9
84.04486	16.8
84.08134	1.3
84.27633	0.9
85.02890	100.0
85.06528	53.5
86.09680	0.7
87.04448	2.7
88.03960	1.1
91.03932	4.6
91.05453	4.4
92.09200	1.4
93.07029	9.0
95.04958	9.6
95.08601	3.0
96.01959	0.6
97.02875	24.6
97.06523	5.0
98.06043	1.3
99.04435	7.6
101.02367	1.3
102.05524	2.6
103.03922	1.4
103.05457	1.0
105.06997	4.9
107.04956	1.6
107.08596	0.7
109.02862	6.5
109.06490	5.4
111.04420	0.7
117.06968	1.7
118.08621	6.0
119.08542	2.8
121.06470	2.8
123.04398	1.6
123.08059	2.7
125.05969	1.4
127.03893	15.4
130.05002	1.0
133.06438	2.9
135.08035	2.9
145.04956	12.9
147.08063	3.0
151.07530	1.6
156.10255	0.9
162.99030	0.8
163.06049	0.7
163.07474	3.8
165.09163	1.1
175.07468	0.9
184.09698	4.0
223.01181	0.9
229.10370	0.8
230.01157	0.8
230.10316	0.9
247.12837	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1856
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
53.03926	0.5
56.96534	0.3
57.05781	0.2
65.15903	0.2
68.64763	0.2
69.03407	0.3
69.06677	0.4
69.07053	13.1
79.05439	0.3
81.07043	0.3
86.09686	100.0
92.09086	1.2
93.07040	0.3
95.04945	1.1
95.08604	0.2
96.05263	0.3
98.97549	2.8
105.03375	5.8
105.04479	0.5
106.03702	2.4
116.98583	1.1
132.10187	1.4
146.99480	0.3
156.18602	0.3
177.00629	0.3
199.18036	0.4
244.55753	0.3
245.18526	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	245.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50478	0.2
52.02233	0.2
52.64590	0.1
53.03919	0.2
54.81750	0.1
54.99321	0.2
55.05502	0.3
55.60744	0.1
57.37584	0.1
58.50565	0.1
65.03917	2.1
73.27020	0.2
75.19664	0.2
78.88744	0.2
81.03407	0.3
81.07040	0.2
81.76479	0.2
83.04974	0.2
91.05460	100.0
92.09053	0.2
93.07049	0.3
95.04915	0.2
95.08599	0.2
107.08635	0.2
131.08578	0.2
149.02367	0.3
159.76039	0.2
167.03329	1.1
177.38576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.05504	17.7
55.93518	0.4
56.57854	0.3
57.03422	0.9
57.07055	0.4
59.04998	0.7
61.02905	0.7
67.05479	0.6
69.03414	7.0
69.07041	0.6
70.06596	0.4
70.63441	0.3
70.69115	0.3
71.04974	0.6
72.93764	2.5
79.05522	0.5
81.03392	2.1
81.07034	0.7
83.04964	100.0
84.08123	0.6
85.02884	2.5
86.28354	0.4
89.03904	0.7
90.94812	3.0
92.08895	1.7
93.06995	0.6
95.04933	0.4
95.08599	1.8
97.02867	4.0
99.04444	0.6
101.05994	3.7
105.06980	0.6
107.08555	0.8
108.95854	0.4
109.02866	0.4
109.06513	0.5
109.10149	0.4
111.04430	0.5
127.03893	1.5
131.76482	0.3
135.04404	1.9
149.96082	1.4
158.05933	0.4
163.03847	3.5
167.97156	2.0
172.97650	0.6
175.81535	0.4
179.14326	0.6
209.15314	0.4
218.05664	0.4
227.09105	0.6
228.00215	0.3
245.04509	0.8
245.10287	0.7
245.12794	1.3
245.99304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0807
Annotation	CHEBI:69405
Peak:m/z	Relative Intensity
50.54761	0.2
55.05510	0.3
65.03924	2.6
67.61771	0.1
79.05466	0.3
82.02397	0.2
83.04976	0.3
91.05459	100.0
92.08711	0.4
92.09275	0.4
93.03415	0.2
93.07026	0.2
119.08567	0.2
121.02850	2.2
149.02310	0.3
153.07007	0.2
167.03369	10.2
227.07010	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	245.0056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
54.81575	4.8
55.05498	3.7
56.96571	3.5
57.03426	5.6
57.09438	3.7
61.02916	6.5
62.06076	68.3
68.36147	3.3
69.03420	9.1
70.06579	47.9
71.04984	6.4
72.08131	44.3
73.02891	4.4
73.08465	3.6
81.03410	4.9
84.04472	15.4
84.08121	18.5
84.72903	3.2
85.02882	27.6
86.06051	8.9
86.23229	3.6
97.02864	16.6
98.97498	3.7
101.00857	22.6
104.10725	19.8
110.09653	4.3
112.05075	100.0
113.03474	8.5
113.05421	19.7
116.07049	4.4
116.86168	4.0
119.01892	65.6
120.01929	12.4
130.05023	7.1
131.01891	3.9
133.03445	15.8
137.02919	17.2
143.01897	7.2
145.03419	6.6
157.03526	9.2
158.08095	8.9
159.05019	3.9
161.02939	25.6
173.02939	6.0
175.04518	4.8
181.09676	31.2
184.06339	8.8
185.02902	5.2
199.14355	4.3
208.50175	3.7
223.06618	4.9
227.10176	17.3
244.09523	4.3
244.16473	4.6
244.92078	4.4
245.00444	4.0
245.05087	4.4
245.11337	12.9
245.14900	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	243.1588
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
53.03935	5.3
55.01864	10.7
55.05266	2.0
55.05506	37.5
57.03424	7.3
57.07071	1.9
57.62056	1.1
59.04992	37.5
61.02911	5.0
65.03926	1.4
67.05490	72.3
67.05851	2.5
69.03408	5.4
69.07047	24.5
70.06689	0.9
71.04975	84.3
77.03919	1.1
79.05471	85.8
81.03397	35.9
81.07037	87.4
83.04967	20.8
83.08604	15.1
85.02899	5.4
85.06516	12.4
87.04450	5.8
90.21567	1.2
91.05458	100.0
92.08727	3.3
92.09328	2.4
93.07022	64.5
95.04945	26.2
95.08586	30.4
97.06503	22.9
97.10172	2.2
98.97587	1.3
99.04430	1.7
99.08085	2.3
105.06476	1.7
105.07011	60.9
107.04935	8.8
107.08574	67.7
109.06502	14.3
109.10148	4.6
111.08073	10.2
113.06005	6.0
115.05447	1.8
117.06998	4.8
119.04925	2.0
119.08549	33.5
121.06498	2.3
121.10112	38.4
123.08031	7.9
123.11690	6.4
125.05988	2.2
129.06985	28.2
131.08543	47.3
133.10100	48.2
137.09509	1.2
139.11136	1.7
142.07773	5.4
145.10156	2.1
147.08032	4.9
147.11670	33.2
149.09596	46.5
157.10101	30.0
159.11647	1.4
165.12680	2.6
167.10643	6.9
175.11148	27.9
179.14243	1.6
181.12259	1.2
193.12202	31.1
197.15280	7.9
199.13261	7.6
211.13260	28.5
225.14796	22.7
225.16817	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	17.7
55.01860	6.8
55.05513	12.7
57.03428	29.9
61.02909	2.4
67.05483	6.9
69.03416	100.0
69.07054	8.1
71.01334	3.2
71.04977	12.0
73.02901	3.6
79.05483	27.8
81.03397	41.1
81.07039	84.5
83.04973	14.5
85.02889	25.6
85.06525	2.0
87.04456	1.4
91.05461	9.2
91.90317	1.6
92.08926	3.2
92.09464	1.5
93.07028	7.2
95.04955	14.2
95.08586	5.9
97.02886	14.0
97.06511	2.1
98.97570	8.3
99.04445	17.5
99.08070	2.7
105.03381	32.1
105.04506	2.2
105.07018	3.6
106.03732	1.9
107.04921	2.5
107.08601	6.3
109.02869	33.8
109.06496	6.6
109.10159	2.4
111.04440	6.6
111.08095	2.1
116.98598	3.4
119.08559	5.8
121.06561	1.8
121.10168	2.2
123.04393	7.4
123.08047	7.2
125.02339	3.4
127.03886	27.7
133.10075	2.6
137.03519	1.7
139.07431	1.5
145.04926	2.6
147.08054	2.0
148.02214	1.5
149.09641	2.6
151.03944	5.6
151.11172	1.6
161.09601	1.6
177.00822	2.4
185.66516	1.9
189.09113	1.5
199.13170	2.2
201.43161	1.4
219.01682	2.3
237.02867	2.9
243.11935	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25518	0.6
53.44631	0.7
54.96008	0.6
55.01868	7.5
55.05503	11.8
56.71973	0.7
57.03426	5.0
57.07063	1.3
59.04986	1.2
67.05490	29.2
69.03394	0.9
69.07052	14.5
71.04973	3.1
79.05466	15.8
81.07036	100.0
83.04953	6.1
83.08601	6.8
85.06538	6.4
87.74332	0.8
88.07607	0.8
91.05462	25.5
93.07014	12.7
95.04964	1.3
95.08579	20.1
97.06496	7.8
97.10194	0.7
99.08092	1.7
100.97211	0.7
105.07008	37.0
107.08583	11.8
109.06519	6.2
109.10102	1.4
111.08046	1.0
113.05984	1.1
119.08558	32.0
121.10117	20.7
121.10966	0.9
123.08058	4.5
123.11683	20.3
129.06969	2.8
131.08563	2.8
133.10115	1.7
136.99236	0.8
137.13200	1.7
141.09129	0.8
141.84612	0.7
142.07770	1.0
147.11662	57.2
149.09631	1.0
151.96581	0.7
157.10133	5.7
165.12709	36.4
175.11156	4.9
193.12190	5.9
197.15320	6.4
203.92685	0.8
229.14374	3.2
242.28423	1.1
243.15874	1.5
257.53683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.8
56.05027	1.3
56.15554	0.5
57.03418	0.5
68.05019	5.2
69.03377	0.7
69.07049	0.7
70.06576	85.6
72.08129	0.8
82.06557	2.9
83.06087	1.0
84.08126	79.5
86.09698	5.4
88.07610	100.0
91.44115	0.6
92.08710	2.7
92.09321	2.0
97.02869	0.7
98.09643	1.3
98.97541	2.5
99.97971	0.6
116.98576	1.2
117.98965	0.7
124.03884	0.9
124.11200	3.0
128.07036	1.2
128.10696	3.3
133.69679	0.6
134.99612	1.1
136.11168	1.4
139.40015	0.6
140.10660	0.8
146.15405	0.7
150.14650	0.7
151.33334	0.7
153.13815	4.1
154.12224	5.9
154.96404	0.6
165.94121	0.6
171.14885	34.2
177.00563	0.8
181.13248	1.0
197.12817	2.8
198.11160	1.1
215.13889	28.4
220.97925	0.6
221.61975	0.7
238.91707	0.8
242.14868	1.4
250.59349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08457	0.3
58.48373	0.3
76.66052	0.3
86.70594	0.3
90.45533	0.3
92.08773	0.5
96.11157	0.3
101.00846	4.4
107.39429	0.3
110.08491	0.3
114.80355	0.4
119.01897	25.6
134.09990	0.3
134.99881	0.7
136.04535	0.4
137.02927	8.0
142.03490	2.9
152.75281	0.3
153.00951	0.8
158.99840	1.7
160.04533	5.9
177.00909	47.0
178.01068	0.4
178.05650	3.2
182.99985	0.4
193.04056	0.7
195.01981	1.7
201.00909	1.9
217.04059	5.5
219.01965	46.1
220.02124	1.6
225.00613	1.0
234.00867	0.3
243.01941	5.1
261.03003	100.0
262.03149	1.6
263.03543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01650	1.4
55.01869	17.4
57.03429	29.4
59.05005	4.5
61.02909	3.2
64.32584	1.4
69.03410	6.8
71.01337	20.6
71.04967	3.3
73.02901	22.0
75.04460	1.8
81.03413	3.2
83.01328	8.3
85.02380	1.6
85.02885	41.0
87.00797	2.4
87.04456	28.9
89.02377	8.5
92.08916	6.4
97.02882	10.2
101.01734	2.5
101.02362	44.8
103.03908	3.1
109.02894	2.2
111.00785	2.7
115.03912	66.7
119.59467	1.3
124.03847	1.5
127.03905	6.9
129.01811	93.5
131.03354	1.7
133.04947	8.5
136.23499	1.4
141.01785	2.9
143.03372	29.3
145.04961	12.9
147.02846	3.2
157.01291	61.9
159.02875	1.5
161.04434	38.2
163.06006	5.6
171.02853	5.3
175.02385	2.1
179.95047	1.6
189.03911	100.0
207.04985	8.7
224.07571	2.7
235.06310	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2159
Annotation	Dihydropseudotsugonol
Peak:m/z	Relative Intensity
54.81931	1.0
55.05496	19.3
56.21055	1.1
56.96543	7.4
57.03409	1.6
57.07054	6.2
59.04971	1.9
67.05490	29.9
69.07051	29.5
71.04967	9.3
79.05453	8.1
81.07040	60.7
83.08583	11.9
85.06527	100.0
91.05447	2.0
92.09006	9.0
93.07018	16.8
95.08579	71.2
97.10162	8.5
98.97556	76.0
98.98198	2.8
99.08079	13.7
105.07000	2.5
107.08601	15.8
109.09382	1.9
109.10136	46.5
111.11697	2.4
113.09592	4.8
116.98595	50.3
117.22644	1.3
119.08549	1.7
121.10138	13.5
123.11683	36.0
125.09557	1.5
134.99619	25.1
135.11653	9.4
137.13194	2.5
140.00182	1.8
141.12691	3.0
149.13228	9.6
153.00670	1.5
158.01210	5.2
158.99693	2.4
177.00706	8.9
179.17924	1.4
187.44458	1.2
195.01730	5.8
205.19467	7.3
223.20528	6.6
241.21516	15.1
244.91830	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.216
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
53.03934	0.8
55.05506	20.4
56.96568	1.2
57.03424	4.8
57.07067	5.4
59.04982	1.1
61.78566	0.6
67.05495	30.0
69.06712	1.5
69.07060	25.8
69.27879	0.7
71.04974	10.7
71.08620	1.0
74.33068	0.9
79.05472	5.6
81.07039	53.1
82.82097	0.7
83.08600	12.4
85.06529	100.0
91.05459	3.5
92.08888	4.4
92.09448	1.3
93.07024	16.0
95.04950	1.4
95.08584	69.3
97.06517	1.3
97.10173	6.3
98.20798	1.0
98.97565	22.2
99.08067	17.4
105.03394	2.0
105.06976	2.0
107.08580	15.5
109.10147	42.2
111.11721	1.5
113.09668	1.8
116.98594	19.7
121.10111	14.6
122.89564	0.8
123.11682	39.3
133.10135	1.0
134.99654	7.5
135.11679	9.5
141.12749	2.1
149.13286	10.5
158.01216	1.7
163.14815	1.4
177.00638	1.2
205.19472	4.9
223.20523	7.5
241.21530	12.8
252.73993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.216
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
50.12741	0.6
55.05265	1.0
55.05508	17.9
57.03427	3.2
57.07061	2.9
67.05492	23.1
69.03397	0.6
69.07055	24.3
71.04981	7.9
71.08603	0.7
79.05484	4.9
81.07040	45.0
83.08601	11.6
83.48467	0.5
85.06530	100.0
91.05467	2.7
92.08802	2.7
92.09361	1.0
93.07026	14.0
95.08587	59.2
97.06486	0.7
97.10146	7.2
97.35828	0.6
98.97562	7.8
99.08074	11.8
105.03394	1.3
105.06998	0.9
107.08588	13.9
109.09392	1.4
109.10143	40.2
111.08081	1.2
113.09648	2.5
114.37324	0.6
116.98644	7.6
121.10124	10.9
123.11686	35.9
127.11176	0.8
134.76987	0.6
134.99646	2.5
135.11662	6.9
137.13248	1.4
141.12744	4.2
149.13229	8.9
158.01241	0.9
163.14725	2.1
177.00735	0.7
195.01627	0.6
205.19461	4.8
223.20659	4.9
241.21552	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	241.216
Annotation	Dihydropseudotsugonol
Peak:m/z	Relative Intensity
53.00285	1.1
55.05502	17.7
56.96552	9.0
57.03432	2.4
57.07062	2.4
58.92194	1.0
63.00643	1.1
67.05492	21.1
69.07052	22.2
70.78140	1.2
71.04971	9.6
74.83074	1.2
79.05471	6.5
81.07037	36.3
83.08616	10.5
84.96037	1.4
85.06530	74.6
93.07023	12.1
95.08588	50.3
97.06556	1.4
97.10119	2.8
98.97565	100.0
99.08095	12.8
105.07078	1.3
107.08575	12.6
109.10136	28.9
116.04964	17.6
116.98602	83.3
117.05312	5.2
121.10128	8.6
123.11684	27.0
129.09894	1.3
134.99634	41.1
135.11668	6.6
140.00191	1.6
141.12738	9.2
149.13261	5.6
153.00699	7.3
158.01292	9.5
169.42932	1.3
176.02298	1.9
177.00647	10.4
179.99969	1.5
195.01767	8.4
205.19513	4.9
209.67467	1.2
211.02771	1.4
212.02982	1.2
223.20705	4.1
241.08453	2.4
241.21631	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	241.216
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
55.05506	20.8
57.03427	3.7
57.07071	6.3
58.06582	0.8
67.05494	26.0
69.07054	24.6
69.07404	1.2
71.04987	8.2
71.05311	0.9
79.05476	5.5
81.07042	42.8
83.08612	12.8
85.06533	100.0
85.10208	0.8
91.05453	1.7
92.08649	1.5
92.09230	2.8
93.07022	13.9
95.08591	62.3
97.06514	1.0
97.10156	7.9
98.97587	3.9
99.08080	15.3
107.08585	14.7
109.10146	39.9
111.11694	1.1
113.09612	1.7
116.98600	2.2
121.10126	11.4
123.11695	32.8
135.11681	7.5
137.13245	1.6
141.12706	4.2
149.13245	9.1
163.14841	1.7
177.16420	1.0
205.19450	6.7
207.95552	1.1
223.20541	6.3
241.21582	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	241.1545
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
55.04291	0.2
55.05492	0.2
58.06588	25.2
70.06577	4.1
72.08135	0.5
81.03394	0.2
84.08125	12.6
85.06535	0.3
90.94590	0.2
92.08915	0.4
98.09655	1.5
98.97565	2.9
100.11256	0.3
105.57398	0.2
114.05470	0.4
116.07082	0.3
116.98566	1.7
126.05471	0.4
126.08955	0.2
128.10689	5.2
134.99612	0.9
137.89227	0.2
144.10117	1.6
152.10686	0.3
168.10143	1.4
196.09666	8.6
241.15411	100.0
242.15636	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64623	0.2
55.01868	0.5
55.05504	0.3
56.96546	1.1
57.03421	0.5
58.06592	24.3
59.04974	0.3
59.86473	0.2
67.08381	0.2
67.95491	0.2
69.03387	0.3
70.06573	4.0
71.04946	0.3
72.08133	0.9
79.56685	0.2
81.03384	0.4
83.04957	0.3
84.05247	0.2
84.08129	14.6
85.02872	1.4
85.06532	0.3
86.03200	0.2
87.04449	0.2
92.08793	0.6
92.09282	0.4
93.65057	0.2
97.02866	0.3
98.05995	0.4
98.09669	1.7
98.97560	6.0
99.04465	0.3
100.11269	0.4
110.07178	0.3
114.05508	0.4
115.03902	0.3
116.07036	0.4
116.98592	4.8
126.05441	0.2
128.10686	4.4
134.05943	0.3
134.99648	2.6
144.10196	1.6
152.04636	0.3
152.10629	0.2
152.55441	0.2
153.00667	0.3
158.01158	0.2
158.08150	0.3
159.01965	0.2
164.07039	5.8
165.59709	0.2
168.10178	1.2
177.00752	0.4
189.03941	0.5
195.01750	0.5
196.09671	7.3
213.15915	0.4
241.15425	100.0
242.15787	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16005	0.7
51.00624	0.9
51.82003	0.7
53.03930	4.2
55.01865	6.4
55.05502	19.0
56.96549	1.2
57.03429	1.5
57.07047	1.1
61.62290	0.7
63.76088	0.9
67.05491	22.6
69.03410	1.6
69.07043	11.3
70.52306	0.9
71.04974	4.2
71.40222	0.8
73.02911	1.3
74.04547	0.8
79.05470	38.5
81.03410	5.3
81.07038	29.9
83.04964	5.8
83.08605	11.5
89.22742	0.8
91.04979	1.0
91.05451	10.5
92.08800	1.0
93.07021	54.0
95.04942	12.6
95.08583	58.0
97.02892	4.2
97.06519	5.0
98.97562	57.0
99.04450	5.5
105.07019	10.7
107.04943	16.3
107.08578	37.7
109.06503	2.2
109.10146	4.6
111.04455	1.6
116.98594	46.3
117.06983	14.0
119.08587	11.3
119.09339	1.4
121.06487	8.2
121.10119	16.6
125.05966	4.0
130.07762	2.0
133.10118	2.1
134.99623	15.7
135.08008	3.9
135.11668	54.9
138.55855	1.0
139.07527	1.6
145.10104	36.1
153.00706	1.9
155.08551	1.0
158.01234	2.3
158.97139	1.0
163.11143	61.3
176.02312	0.9
177.00702	4.1
181.12209	11.2
195.01781	4.7
213.08383	1.0
227.12733	100.0
241.14368	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2003
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.45469	3.6
54.81494	4.1
55.05506	48.0
56.23800	3.8
57.07063	16.4
59.04980	9.1
67.05486	26.1
69.03425	5.8
69.07061	43.7
71.04984	21.8
79.05474	29.2
81.07042	93.2
83.04967	4.7
83.08604	21.1
85.06534	25.7
91.05476	15.9
92.09066	18.1
92.63562	4.2
93.07030	61.9
95.04961	7.0
95.08585	89.3
97.06523	9.1
97.10146	6.2
98.97537	4.6
101.63818	4.0
105.07012	37.6
107.08578	100.0
109.06573	3.9
109.10133	41.2
111.11689	4.4
119.08559	38.8
121.10137	29.6
123.11679	37.6
125.09596	7.4
127.11192	6.7
133.10159	27.7
135.11665	91.5
137.13266	26.9
139.11078	5.0
143.10686	6.8
147.11688	23.0
149.13280	8.0
151.11205	4.5
161.13191	6.9
173.93710	3.9
198.18570	9.5
203.17964	35.3
221.18990	24.1
239.08904	6.9
239.20047	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2004
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.53879	1.1
53.00303	1.3
55.05506	26.2
57.03442	2.4
57.07052	8.1
62.18743	1.4
67.05490	33.2
69.03404	1.9
69.07056	38.9
70.06581	1.7
71.04961	8.0
71.08595	2.0
79.05471	20.4
81.06599	2.7
81.07037	58.1
83.04970	3.3
83.08614	14.9
85.06527	26.3
86.09679	1.8
91.05447	12.6
92.09115	8.2
93.06483	2.8
93.07027	44.9
95.04929	2.7
95.08585	100.0
97.06525	8.6
97.10148	2.5
99.08059	9.1
103.05432	1.9
103.88356	1.7
105.07019	30.8
107.08577	62.3
109.06484	3.2
109.10142	43.4
109.39441	2.1
111.04408	1.9
111.08080	9.9
113.09634	17.4
119.08559	34.5
121.10117	54.2
123.08035	2.2
123.10911	1.6
123.11687	15.3
125.09595	3.6
133.10110	18.8
135.11674	15.5
135.98743	1.6
137.09613	2.8
137.13246	6.2
139.11107	2.2
147.11671	25.8
149.13223	3.4
151.11171	3.0
161.13216	13.7
163.14757	17.0
168.13754	14.0
175.14690	2.5
177.16365	14.1
181.42175	1.7
194.57085	1.9
196.13237	8.7
198.18478	9.5
200.30028	1.8
203.17891	24.3
221.18973	24.6
228.74910	1.8
239.08783	12.8
239.19992	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	238.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.2
54.47723	0.2
55.01851	0.3
57.03423	0.5
60.08147	0.2
64.99471	0.2
69.03391	0.2
73.02887	1.0
74.83177	0.2
75.04453	0.3
79.05469	25.4
85.02876	1.0
87.00798	3.7
87.04429	0.4
90.05501	0.3
95.04935	1.9
101.02292	0.2
105.01838	0.3
105.03378	0.3
106.06528	100.0
107.04929	17.9
114.05533	0.2
126.33270	0.2
132.04419	9.0
135.04384	23.8
141.02809	0.2
150.05524	0.3
152.07043	1.1
160.05984	1.8
174.05516	1.1
174.08981	0.3
192.06500	30.1
202.07004	0.3
220.06017	0.9
220.08127	1.7
237.15279	1.8
238.07042	0.8
238.09187	0.3
238.15384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08090	0.3
53.03936	2.6
54.47287	0.5
55.01865	4.3
57.03425	10.4
59.04988	8.0
60.17229	0.3
61.02912	12.8
68.15707	0.3
69.03412	20.3
69.75390	0.4
70.06560	0.5
71.01332	1.9
71.04964	2.3
73.02892	5.7
77.06015	0.7
81.03394	7.1
83.01292	1.4
84.08125	2.9
84.08561	0.4
85.02885	100.0
87.04443	3.4
91.03956	3.8
92.08682	0.5
92.09158	0.7
97.02866	20.7
98.97555	0.5
99.04396	4.1
101.02347	3.9
103.03888	0.9
109.02845	8.5
110.06042	0.4
115.03900	4.5
127.03878	14.8
129.01823	2.3
129.10303	0.4
143.03403	0.8
145.04932	14.3
150.05453	0.4
157.01289	3.0
161.04396	0.5
163.05994	2.4
188.61931	0.4
189.03944	3.5
203.05444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45469	3.6
54.81494	4.1
55.05506	48.0
56.23800	3.8
57.07063	16.4
59.04980	9.1
67.05486	26.1
69.03425	5.8
69.07061	43.7
71.04984	21.8
79.05474	29.2
81.07042	93.2
83.04967	4.7
83.08604	21.1
85.06534	25.7
91.05476	15.9
92.09066	18.1
92.63562	4.2
93.07030	61.9
95.04961	7.0
95.08585	89.3
97.06523	9.1
97.10146	6.2
98.97537	4.6
101.63818	4.0
105.07012	37.6
107.08578	100.0
109.06573	3.9
109.10133	41.2
111.11689	4.4
119.08559	38.8
121.10137	29.6
123.11679	37.6
125.09596	7.4
127.11192	6.7
133.10159	27.7
135.11665	91.5
137.13266	26.9
139.11078	5.0
143.10686	6.8
147.11688	23.0
149.13280	8.0
151.11205	4.5
161.13191	6.9
173.93710	3.9
198.18570	9.5
203.17964	35.3
221.18990	24.1
239.08904	6.9
239.20047	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2003
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.31631	1.2
51.42106	1.3
53.84216	1.3
55.05267	2.3
55.05506	37.7
57.07073	11.4
59.04984	14.9
67.05487	16.7
69.07058	32.9
71.04971	10.7
71.74460	1.4
73.06512	1.5
79.05470	16.7
81.07046	71.3
83.08615	14.3
85.06545	11.9
85.46898	1.5
91.05466	15.8
91.73629	1.5
92.08791	4.4
93.06483	2.8
93.07033	51.6
95.04951	1.9
95.08587	59.0
97.06523	4.1
97.10126	3.4
99.08070	4.0
105.07027	21.8
107.08582	95.6
109.06499	2.8
109.10147	26.8
111.08064	2.2
111.11718	5.7
119.08570	35.7
121.10118	19.8
123.11701	30.6
125.09619	2.0
127.11147	6.4
133.10112	33.1
135.11681	100.0
137.13260	24.0
139.11177	3.5
143.10648	3.1
147.11678	13.8
149.13243	6.4
151.11119	3.8
161.13190	11.2
163.14793	7.9
165.12755	1.7
203.17929	28.4
221.18993	20.6
239.20041	7.7
240.19638	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	(-)-Tremediol
Peak:m/z	Relative Intensity
55.05508	10.5
56.08293	2.1
57.03455	2.4
57.07046	2.3
57.35767	2.5
60.64890	2.5
66.67587	2.1
67.05489	11.9
69.03414	42.2
69.07050	6.0
71.04973	58.0
78.98978	2.2
79.05468	25.4
81.07033	100.0
81.44725	2.4
82.63262	2.4
85.06491	3.7
91.05453	16.7
92.08823	3.6
92.09295	4.2
93.07024	27.9
95.04954	12.3
95.08584	12.2
97.06530	3.9
99.08058	19.7
105.07018	47.3
107.08564	33.2
109.06508	26.8
109.10152	21.0
116.16048	2.5
117.07021	4.5
119.08572	5.7
121.10110	6.5
123.08028	5.2
123.11691	20.9
125.09605	6.1
127.11156	45.0
131.08543	6.4
133.10103	54.1
135.11600	4.2
139.11182	4.3
143.10651	11.2
145.10168	18.9
147.11613	4.7
151.11143	61.5
155.10608	18.9
159.11681	5.2
201.16315	11.0
219.17490	4.2
237.18484	22.3
241.84123	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03939	3.8
55.01865	2.8
55.05502	13.9
57.03432	3.3
57.07059	3.6
57.27178	1.4
58.69877	1.3
59.04991	2.2
67.05494	20.3
69.03413	12.6
69.07065	14.0
69.28202	1.4
71.04975	30.5
73.06521	2.5
79.05471	35.6
81.03391	1.8
81.07038	100.0
83.08611	3.9
85.06522	6.9
90.88277	1.8
91.05453	27.7
92.09182	8.2
93.07019	34.6
95.04937	3.7
95.08579	19.7
97.06518	10.6
97.10110	2.4
99.08073	37.5
105.07009	52.5
107.08574	29.8
109.06509	9.4
109.10146	26.8
111.08088	2.2
113.64635	2.1
117.07018	7.2
119.08543	21.6
121.10125	16.6
123.08045	4.0
123.11702	7.0
125.09609	7.8
126.75243	1.7
127.07545	10.6
127.11209	17.0
131.08545	11.0
133.10110	51.3
133.11049	3.2
135.11644	6.5
143.10687	3.7
145.10115	18.4
147.03510	1.8
147.11684	13.5
149.09726	1.6
149.13297	2.2
151.11153	25.0
155.10608	2.8
159.11656	3.4
161.13216	3.6
165.12717	1.7
175.14909	1.9
201.16385	3.6
219.17442	10.6
237.18477	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	237.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86676	0.3
51.87732	0.3
53.03935	2.4
55.01865	3.1
55.81076	0.4
57.03432	8.0
57.07064	4.5
61.02914	16.7
63.52922	0.3
69.03417	24.4
71.04992	2.6
72.35490	0.4
73.02902	5.2
75.82639	0.3
81.03397	8.0
83.01321	0.5
85.02891	100.0
87.04460	3.0
91.03939	4.0
92.09064	0.7
97.02871	22.2
98.97572	0.8
99.04433	4.5
99.40567	0.3
101.02369	0.6
103.03890	0.4
106.06564	0.5
109.02869	8.9
115.03926	0.6
127.03894	14.6
127.04805	0.6
145.04935	14.3
163.06023	2.4
212.12869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.00294	1.1
53.03926	1.7
55.01855	2.3
55.05500	14.1
56.96555	1.3
57.03434	1.7
57.07058	5.6
59.04976	6.0
67.05495	21.7
69.03407	7.1
69.07051	9.8
71.04600	1.8
71.04966	26.3
73.06548	1.2
79.05470	22.0
81.07036	100.0
83.04968	1.7
83.08602	4.3
85.06519	2.4
91.05460	28.1
92.08746	4.9
92.09361	2.3
93.07020	79.4
93.74512	1.1
95.04946	8.7
95.08575	29.7
97.06519	5.4
98.97552	6.9
99.08070	16.7
102.96851	1.5
103.05467	1.6
105.03369	2.7
105.07013	76.0
107.04964	2.3
107.08573	38.5
109.06510	12.6
109.10145	21.6
111.08056	2.7
115.05433	2.1
116.98589	1.4
117.06974	7.0
119.08548	27.0
121.06484	1.4
121.10123	17.1
123.08018	2.1
123.11683	25.6
125.09608	7.4
127.07505	2.0
127.11147	7.0
129.06947	1.4
131.04889	1.3
131.08540	14.4
133.10103	60.9
135.11639	7.5
137.09653	2.3
139.11121	1.9
143.10660	2.4
144.05641	1.5
145.10114	19.4
147.11665	13.0
149.13222	6.3
151.11151	29.9
152.34413	1.2
155.10617	2.3
159.11678	11.5
161.13298	9.2
163.11197	2.1
165.12755	1.3
173.13219	6.7
191.14346	1.5
191.17982	2.6
194.07219	1.7
201.16385	9.2
219.14096	1.3
219.17429	27.0
237.09079	1.3
237.18454	17.8
243.18529	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.2
60.04511	0.2
62.16637	0.2
69.72644	0.2
70.06557	0.3
71.01338	0.4
74.02027	0.3
74.02422	7.1
74.02837	0.3
84.08118	0.3
85.02848	0.2
91.05474	0.4
92.09190	0.3
98.97563	0.6
106.05019	0.9
112.45354	0.2
116.98596	0.3
118.06532	2.2
128.04938	4.9
128.28658	0.2
130.06473	0.3
132.04411	0.2
140.11090	0.2
146.05989	100.0
148.03885	0.3
157.07550	0.3
159.02850	0.2
160.59615	0.2
166.02521	0.2
219.07588	0.3
237.08638	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	236.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
56.96542	0.7
57.03427	16.7
57.07062	0.4
58.06587	26.1
58.81075	0.3
59.04997	0.6
59.07368	14.9
60.04510	4.2
60.08150	8.5
60.47033	0.3
61.02900	2.3
67.05481	1.2
69.03399	2.0
70.06576	0.6
71.04964	1.7
72.57198	0.3
73.02911	2.3
75.04459	7.5
79.05476	0.4
80.27084	0.3
81.03411	0.3
83.04957	0.7
84.04494	1.4
84.08116	1.7
85.02891	4.9
85.06564	0.3
86.06054	0.7
87.04450	10.4
87.80437	0.3
88.03956	0.3
89.60925	0.3
95.04913	0.7
97.02876	0.7
98.97570	0.8
103.03910	0.6
104.27865	0.3
105.05464	1.3
106.05010	6.3
107.04923	0.5
109.06487	0.6
111.04394	0.4
113.05947	0.4
116.98589	0.7
119.01891	1.5
120.02088	0.4
123.28012	0.3
125.07058	0.4
131.06992	2.4
133.03467	0.3
134.99741	0.3
137.05934	2.1
144.10132	0.7
145.03450	0.3
146.05962	0.6
155.07054	0.5
157.03546	0.4
183.05052	0.3
183.06526	1.8
200.09047	0.6
201.07567	0.4
205.13776	0.4
218.10202	0.6
219.11102	0.8
223.06622	0.5
236.14879	100.0
242.88069	0.4
251.37372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79351	1.3
59.01661	1.2
67.92048	1.1
79.54047	1.6
85.02843	1.6
87.04408	1.3
92.08841	1.7
112.95525	1.5
116.35278	1.5
119.01925	2.6
133.03424	3.0
152.07057	1.9
165.37546	1.4
191.03944	1.8
233.06274	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	233.1494
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
50.69657	0.4
53.27600	0.3
55.05503	0.4
56.05029	18.7
57.03434	3.3
58.06584	4.3
69.03419	0.9
72.08170	0.6
72.17245	0.4
74.06060	100.0
75.04457	1.0
81.03411	0.5
81.07037	1.9
83.04962	2.0
84.04492	3.8
86.06039	0.5
86.09692	25.6
89.07001	0.4
90.22276	0.4
91.05479	1.0
92.09183	1.3
97.02896	0.6
98.97553	0.8
101.07140	2.4
105.06985	1.0
105.35314	0.4
108.92201	0.4
108.95822	0.6
109.06515	0.8
111.04429	2.3
118.60275	0.4
121.06491	2.8
123.08057	0.8
131.97418	0.6
132.10175	11.5
132.95815	2.0
133.06470	0.7
135.07991	0.5
142.12233	0.6
147.08049	1.9
149.96074	0.8
150.96872	3.1
155.07034	2.2
159.32057	0.4
169.13383	0.8
173.08110	1.1
185.36800	0.6
187.08649	1.0
187.14407	6.0
215.13924	3.2
217.10710	2.9
233.14987	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	231.1701
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
51.95193	0.2
53.03936	0.4
55.05503	12.8
56.96556	1.0
57.05810	0.9
57.69720	0.2
68.08728	0.2
69.03398	0.5
72.04863	0.2
72.08137	100.0
81.03392	0.3
81.07040	0.3
83.04930	0.2
85.02888	1.1
86.09689	5.9
91.05437	0.3
92.09013	1.5
93.07000	0.3
97.02886	0.8
98.97577	1.0
105.03415	0.3
116.98605	0.5
130.18275	0.2
130.96219	0.3
132.10165	2.7
137.05943	0.5
147.96616	0.2
148.97345	0.4
149.13899	0.2
163.03929	0.5
185.16553	0.4
231.16992	3.7
235.04906	0.3
238.45772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23344	8.8
51.49382	9.0
52.23400	9.0
70.06628	10.9
72.08134	11.0
77.72999	11.7
79.82540	9.9
84.08135	14.0
86.09709	14.4
92.08739	12.2
92.09245	17.5
101.00851	25.3
111.64996	9.7
118.08627	38.9
119.01928	100.0
133.03462	64.4
134.92030	11.3
137.02933	15.8
143.01854	11.4
161.02914	42.2
173.02969	15.2
182.68478	12.8
191.04004	67.0
200.86571	10.9
205.98911	11.8
233.04272	15.5
233.06381	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0651
Annotation	2,4,6-Trihydroxybenzophenone
Peak:m/z	Relative Intensity
51.02380	0.3
53.03945	4.8
55.01884	0.3
64.23766	0.2
71.90896	0.3
77.03926	0.6
81.03400	6.7
81.07058	0.3
88.24069	0.2
92.09059	1.3
95.04947	10.8
105.03378	100.0
105.04527	2.9
105.34820	0.3
109.02860	6.2
110.03649	1.5
143.08516	0.3
182.69319	0.2
206.05127	0.3
231.06487	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	231.1589
Annotation	Talaromycin D
Peak:m/z	Relative Intensity
53.38780	1.2
55.01862	3.0
55.05503	12.2
57.03426	1.4
57.07049	5.5
58.98035	1.2
59.20066	1.2
59.63969	1.0
67.05493	54.0
69.03418	1.7
69.07044	10.6
71.04972	91.3
79.05470	42.1
81.03384	2.1
81.07034	77.9
83.04962	5.0
83.08597	8.5
85.06525	49.8
87.04424	2.9
91.05450	33.1
92.09038	1.4
93.07022	100.0
95.04940	8.3
95.08582	51.7
95.09188	1.6
97.06504	24.9
99.08065	2.3
105.03372	25.8
105.04424	1.6
105.07006	17.2
107.08570	39.2
109.06490	6.1
109.10155	2.4
111.08096	13.2
117.06987	28.7
119.08535	6.8
121.06471	10.7
121.10105	12.1
123.08014	1.4
131.08536	38.0
133.10106	32.8
135.08032	14.7
135.11653	64.9
139.07538	1.5
147.11679	5.4
149.09624	2.7
149.13214	19.3
151.11127	4.8
153.09087	2.0
154.29688	1.2
159.11664	49.1
165.12704	2.3
177.12701	66.6
195.13754	49.4
213.14818	31.1
231.15964	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
56.99500	0.3
57.03426	0.6
58.06589	8.1
59.07367	2.6
60.07865	0.4
60.08152	10.6
60.71539	0.3
61.02898	0.4
68.04994	1.9
69.03397	0.4
70.06574	55.6
72.08143	0.6
73.02891	0.4
80.95246	0.3
81.04507	0.8
85.02908	0.8
92.08794	0.8
92.09309	0.5
92.48182	0.3
95.06064	2.6
96.08105	3.5
98.06015	0.7
101.00846	0.6
114.05516	6.8
114.09126	2.9
116.07037	0.8
119.01902	2.5
124.07557	5.0
126.09127	0.4
131.01950	0.4
141.00211	0.4
142.08612	49.5
154.33121	0.4
157.03429	1.4
168.46053	0.4
170.08060	2.2
175.04405	0.4
183.11256	0.6
223.06625	0.8
229.15424	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	229.1546
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
50.43844	0.4
52.10135	0.5
58.06580	7.3
59.07358	2.2
59.99818	0.4
60.07870	0.4
60.08149	9.4
62.49027	0.4
68.05006	1.1
70.06573	49.3
72.41650	0.5
82.20828	0.4
86.45631	0.5
92.09019	0.7
95.11324	0.5
96.08105	2.4
98.06004	0.8
98.81902	0.5
114.05513	7.5
114.09144	2.3
116.07085	0.7
119.68694	0.5
124.07578	4.6
126.09116	0.7
142.08606	47.6
149.16170	0.6
166.79140	0.5
170.08080	2.1
225.15265	0.5
229.15417	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	230.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28819	0.5
55.01866	14.5
55.05500	3.5
56.05018	3.2
56.96552	0.9
57.03423	1.0
58.68129	0.5
61.02906	7.8
64.89543	0.5
68.04996	0.7
69.03406	3.4
69.07044	1.2
70.06577	10.3
71.04978	2.8
72.08128	1.3
72.18760	0.4
73.02897	5.9
76.24554	0.6
79.05480	0.6
82.06561	2.9
83.04966	0.6
83.57488	0.6
84.04501	4.1
84.08127	12.4
85.02892	7.8
86.09678	2.6
91.03864	0.5
92.08900	2.2
92.18443	0.5
94.06548	0.8
95.04944	0.6
96.04481	1.0
97.02859	4.5
98.06031	100.0
99.04469	0.8
100.07596	0.9
106.06561	0.8
110.06019	4.7
110.09621	0.6
112.07583	5.8
112.89613	0.6
114.05521	0.7
115.03929	1.2
116.07089	0.7
116.98557	1.0
124.07568	0.7
129.10188	3.4
135.04396	1.0
138.09099	4.1
140.07042	6.1
152.07051	6.8
163.03874	3.6
166.08604	2.6
170.08047	1.1
182.08086	2.1
184.09657	2.5
187.04416	0.9
194.08142	3.1
212.09119	2.3
230.10197	11.6
233.05057	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1432
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.03936	0.7
53.36399	0.6
55.01864	11.9
55.05501	14.6
57.03424	3.1
57.07064	1.1
65.03922	1.0
67.05141	1.3
67.05491	31.2
69.03404	0.8
69.07052	18.9
71.04978	6.6
74.95618	0.7
79.05474	17.2
81.07036	100.0
83.04959	6.2
83.08619	10.1
85.02878	1.0
85.06523	7.2
89.25313	0.6
91.05462	26.9
92.09221	3.2
93.07017	13.8
95.04947	1.5
95.08587	21.5
97.06522	7.1
99.08054	3.3
101.05956	0.9
104.85858	0.7
105.07012	47.3
107.08564	14.0
109.06497	6.7
109.10146	1.2
113.05978	1.4
117.06995	1.0
119.08559	36.6
121.10122	26.0
123.08061	4.4
123.11682	31.4
123.12408	0.6
127.07536	1.7
129.06976	3.2
131.08557	0.8
133.10110	3.4
137.13232	1.4
145.10152	1.2
147.11662	62.3
157.10097	5.0
165.12708	25.2
175.11119	3.2
183.13782	1.5
193.12169	0.7
229.14290	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	228.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01634	1.3
55.01870	21.7
55.05494	6.2
55.05727	1.0
56.96561	1.0
57.03428	41.8
59.04995	6.7
61.02684	0.7
61.02912	13.1
64.34054	0.8
68.02599	1.3
68.99788	1.4
69.03416	52.9
69.03799	1.8
70.06571	4.3
71.01341	14.3
71.04963	4.2
73.02488	2.3
73.02899	69.9
75.04458	2.0
81.03405	17.4
83.04961	11.2
85.02890	53.3
87.04456	26.2
92.08846	1.8
95.01294	2.4
96.05089	1.0
97.02866	51.3
99.00780	1.8
99.04427	4.0
100.02413	1.1
103.03911	5.6
111.04427	91.2
113.02334	5.6
115.03910	89.2
119.01906	1.4
122.05954	1.1
125.02318	15.1
127.03902	10.2
129.05431	11.1
133.04936	100.0
136.07532	4.0
139.02795	2.2
139.03885	57.4
143.03380	3.7
147.06476	7.4
150.05431	1.4
157.04942	9.9
161.04408	6.2
164.07013	1.9
175.06004	5.8
179.05461	32.5
193.05386	1.5
193.07050	30.4
196.00494	1.1
211.08145	9.0
228.23164	2.2
229.15390	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03939	1.1
55.05501	9.7
56.96557	1.5
57.03413	6.4
57.07057	4.7
59.04972	4.8
67.05483	6.2
68.86942	1.0
69.03414	1.9
69.07062	8.0
71.04976	15.5
72.81406	1.2
73.06526	1.7
75.04470	1.6
79.05480	7.6
81.07046	13.9
82.56724	1.1
83.04969	6.2
83.08590	4.3
85.06527	6.5
89.03863	1.2
91.05462	8.1
92.08849	2.4
93.07024	19.6
95.04944	100.0
95.08571	10.7
97.06504	16.8
97.10170	2.1
99.04427	8.2
99.08065	16.4
105.07000	15.3
107.08585	21.3
109.06501	21.5
109.10144	11.0
111.08047	7.1
113.06010	1.4
115.07481	1.1
117.03386	2.0
119.08566	9.8
121.06492	2.4
121.10123	21.2
123.08086	2.0
123.11662	2.5
125.09615	7.7
127.07550	5.1
131.08533	2.6
133.10110	30.1
135.08029	6.4
135.11674	4.6
137.09573	2.0
139.11147	2.9
143.10687	2.4
145.10063	4.8
147.11710	12.5
149.05905	1.6
149.13232	4.8
151.11189	2.1
153.09076	16.5
163.03859	9.3
163.14748	2.1
167.07011	15.2
171.10110	11.9
173.13162	10.9
177.05383	2.1
181.02855	2.2
181.66714	1.1
191.14240	6.7
209.15387	13.3
227.16368	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.26217	1.1
55.05500	7.1
57.03424	8.0
57.07064	2.5
58.23832	0.9
59.04990	6.3
59.61897	1.0
64.33567	1.0
66.70242	1.0
67.05488	5.1
67.73289	0.9
69.03395	1.0
69.07057	6.0
71.04966	17.5
71.05269	1.0
73.02893	1.5
79.05476	5.4
81.07043	13.4
83.04964	2.5
83.08599	4.6
85.06544	5.9
90.59225	1.0
91.05457	6.6
93.07027	20.1
95.04949	100.0
95.08599	8.0
97.06510	15.5
97.10163	1.5
99.04458	9.1
99.08080	16.2
105.07021	15.3
107.08578	15.8
109.06516	18.3
109.10155	7.8
111.08068	5.2
113.09566	1.5
119.08537	9.5
121.10125	18.2
123.08078	2.5
123.11683	2.4
125.09638	4.9
127.07547	2.8
131.08568	5.7
133.10124	27.0
135.08034	1.7
135.11699	4.9
139.11159	6.9
140.04680	2.3
143.10657	1.8
145.10110	1.7
147.11685	11.8
149.13200	2.2
151.11238	2.0
153.09074	19.4
155.07027	1.4
165.12720	1.5
171.10184	10.1
173.13184	9.9
181.02765	1.9
181.04951	7.3
191.14290	7.0
209.15352	13.8
227.16396	37.0
227.18449	2.1
238.11977	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.00731	2.1
53.03934	3.6
54.80899	1.9
55.01884	2.3
55.05500	26.2
56.96564	5.0
57.03430	14.2
57.07067	6.2
59.04979	3.6
64.14452	2.2
65.03944	2.9
67.05499	20.5
69.03413	3.3
69.07054	43.8
71.04980	48.3
72.72459	2.5
79.05479	23.4
79.30494	2.2
81.07050	44.5
83.04971	15.9
83.08607	12.0
85.06538	9.9
86.09711	4.0
87.95177	2.3
89.03916	3.8
91.05462	32.2
92.08894	5.8
93.07011	50.9
94.10033	2.6
95.04941	100.0
95.08574	35.6
97.06503	27.2
97.10144	2.9
98.97564	9.8
99.04424	31.2
99.08080	23.8
100.11234	10.5
103.05460	11.6
105.07024	46.6
107.04913	9.4
107.08585	58.5
109.06486	38.2
109.10138	48.3
111.08072	14.4
114.67763	2.4
115.07543	5.3
116.98613	3.6
117.02145	2.4
117.03362	3.8
119.08564	31.0
121.06483	18.2
121.10120	57.9
123.04424	11.4
123.08023	31.6
123.11736	11.8
125.09645	10.9
127.07523	3.8
131.04947	4.8
131.08540	23.1
133.10103	66.5
135.04439	6.2
135.07980	7.6
135.11655	18.0
137.05948	6.0
137.09634	3.3
139.03934	4.7
139.11134	18.9
140.04701	3.4
143.00171	11.9
144.68237	2.7
145.02904	3.7
145.10143	11.2
147.11659	24.4
148.05209	3.1
149.05971	15.2
149.13214	28.8
151.03857	6.2
151.11182	10.7
153.09050	22.9
153.12735	4.1
157.73386	2.5
158.10883	5.3
161.01198	12.2
163.01732	3.6
163.03903	18.7
163.14806	9.5
164.04231	3.4
165.12669	4.7
167.07005	69.3
171.10173	4.4
173.13229	28.2
177.05440	15.6
179.00089	2.7
181.02895	12.0
191.14200	23.6
197.01117	3.5
209.15274	23.0
215.02271	3.4
218.90614	2.7
227.16315	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18759	0.7
53.03913	1.2
55.05502	5.3
67.05490	17.0
68.00705	0.7
69.07057	4.1
71.04978	100.0
72.12464	0.8
76.56621	0.7
79.05479	9.1
81.07037	27.0
83.08606	3.3
85.06527	1.9
87.63359	0.8
91.05480	5.2
92.08811	1.3
93.07029	12.2
95.04964	0.9
95.08589	13.8
97.06531	1.6
100.11191	1.1
102.12959	0.8
105.07051	3.0
107.08532	5.8
109.06466	1.0
111.08064	0.8
117.06970	1.5
121.01644	2.9
121.10121	0.9
131.08565	4.0
133.10112	1.6
135.11636	7.1
149.13242	3.5
159.11646	4.5
167.07048	1.2
173.62048	0.9
177.12775	1.1
190.23497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.50503	2.0
50.84255	2.7
55.05500	22.6
57.03414	15.1
57.07076	3.5
67.05493	71.8
69.07058	31.1
71.04967	5.1
75.25716	2.1
79.05475	44.0
81.06597	4.8
81.07037	100.0
83.04962	11.9
83.08593	11.9
85.06522	3.5
91.05464	20.4
92.09184	5.8
93.07021	68.8
95.04962	3.9
95.08593	15.7
97.06487	12.7
97.10139	3.1
100.11195	4.3
105.07033	5.7
107.08577	29.2
109.10194	3.1
111.08077	3.6
117.06983	14.5
121.01692	2.8
121.10161	10.4
131.08525	13.8
133.10147	13.5
135.11658	18.2
139.75223	3.0
149.13269	33.9
159.11665	16.0
177.12657	4.5
195.13805	15.3
227.16110	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	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.9
54.81597	1.2
55.01848	1.6
55.05499	18.0
57.03420	8.3
57.07062	6.5
58.51956	1.3
59.04984	3.5
67.05486	15.1
67.22281	1.3
69.03413	7.1
69.07049	23.8
71.04973	18.6
73.06551	1.7
79.05470	18.2
81.07034	42.4
83.04964	9.1
83.08616	12.5
85.06511	13.7
91.05455	17.4
92.08724	3.5
92.09274	3.1
93.07017	41.0
95.04943	100.0
95.08578	21.3
97.06509	33.7
99.04436	8.5
99.08069	24.0
102.75626	1.4
105.03362	28.3
105.07001	35.3
107.08572	39.5
109.06491	56.0
109.10128	20.4
110.31210	1.4
111.08064	12.8
115.07542	7.3
117.80186	1.4
119.08538	24.5
121.10107	36.4
123.04386	3.0
123.08034	8.6
123.11682	11.5
124.96556	1.6
125.09622	15.3
127.07527	10.6
131.08508	19.3
133.10100	50.0
135.08032	8.0
135.11652	6.2
137.09586	3.0
139.07486	3.5
139.11189	6.4
143.08517	2.2
145.10088	9.2
147.11671	27.0
147.17365	1.4
149.09573	8.7
149.13205	12.3
151.11179	6.6
153.09084	24.9
158.10817	2.7
163.14787	7.4
167.07025	2.9
167.10628	3.5
171.10173	2.2
173.13214	22.2
191.14247	18.6
209.15314	21.1
227.16330	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	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.05508	14.5
57.03420	9.7
57.07057	6.8
59.04980	9.8
65.86348	1.3
67.05492	11.3
67.92881	1.4
68.81892	1.5
69.03405	10.0
69.07053	17.3
71.04977	19.1
73.41032	1.3
79.05464	17.6
81.07032	46.1
83.04968	3.5
83.08597	11.1
85.06512	8.5
91.05469	20.2
91.67477	1.4
92.09031	7.4
93.07030	36.0
94.21014	1.3
95.04945	100.0
95.08575	23.9
97.06509	42.6
97.10150	1.7
99.04411	9.5
99.08073	24.5
102.29528	1.5
105.06362	2.8
105.07011	50.8
107.08585	43.1
109.06503	80.0
109.10136	19.2
111.08049	9.5
113.05978	1.4
115.07529	8.5
117.06954	1.7
119.08555	28.2
121.10117	44.6
123.08038	8.0
123.11678	11.5
125.09598	22.7
127.07522	10.3
131.08533	17.6
133.10107	72.5
135.08032	11.0
135.11668	10.5
137.09586	2.6
139.11154	7.5
140.23906	1.5
142.18034	1.3
143.08533	3.6
145.10104	9.1
147.11661	37.6
149.09608	10.6
149.13216	11.7
151.11169	7.7
153.09093	23.3
158.10934	2.4
163.14746	6.3
165.12648	1.7
167.10602	6.4
171.10109	7.2
173.13213	26.1
181.04919	1.8
191.14272	18.4
209.15315	23.6
227.16379	34.0
237.45140	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.84084	0.6
55.01844	0.8
55.05494	5.0
56.20389	0.6
57.03431	5.7
57.07062	1.5
57.93056	0.6
62.48886	0.7
67.05482	4.3
67.68841	0.9
69.03414	1.4
69.07056	6.7
69.07349	0.8
70.84180	0.7
71.04971	11.2
71.35941	0.7
74.28500	0.8
75.04475	2.9
78.04689	0.8
79.05463	4.7
81.07038	11.3
83.04964	1.9
83.08598	4.7
85.06524	5.1
89.63161	0.8
91.05442	6.3
92.09016	3.1
93.07023	11.6
95.04947	100.0
95.08581	5.8
97.06509	15.7
97.10133	1.4
99.04413	8.3
99.08074	14.3
103.05439	1.3
105.07022	13.4
107.08580	10.8
109.06502	16.4
109.10124	4.8
111.08046	3.3
115.07565	1.5
119.08550	9.3
121.03952	0.7
121.06491	4.5
121.10110	13.5
123.11674	4.1
125.09593	4.2
127.07511	3.4
128.91197	1.0
131.08517	4.0
133.10109	22.9
135.08037	1.5
135.11635	1.6
139.11151	2.8
140.04712	1.1
143.10623	1.8
147.11656	7.1
149.05972	1.2
149.13226	3.1
151.11142	1.5
153.09084	15.8
158.10905	1.3
163.14751	1.2
165.12711	1.0
167.07016	9.1
171.10153	6.6
173.13225	4.3
177.05444	2.8
181.08667	1.3
191.14259	5.3
209.15331	13.7
227.16393	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	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.05492	6.2
55.73020	1.0
57.03423	2.5
57.07052	2.4
59.04981	2.4
59.80648	1.0
60.25079	1.0
67.05477	7.5
69.03411	1.5
69.07051	11.3
71.04968	13.6
72.68745	1.0
77.45705	1.1
79.05465	7.2
81.07038	16.6
83.04948	1.8
83.08591	2.8
85.06506	2.4
91.05452	6.7
92.09070	4.3
93.07026	20.0
95.04941	100.0
95.08545	9.7
97.06505	30.7
99.04427	17.9
99.08055	13.2
105.07009	19.6
107.08579	17.4
109.05828	1.5
109.06505	30.9
109.10110	8.3
111.08064	5.0
111.79451	1.1
115.07540	21.6
119.08561	9.0
121.10117	18.1
123.08028	5.0
123.11708	2.5
125.09598	1.5
127.07495	1.4
131.08536	7.2
133.10100	30.9
135.08018	4.9
135.11684	2.6
137.09605	1.5
139.11143	2.2
144.47456	1.1
145.10072	2.3
147.11638	10.6
149.13222	5.4
151.11148	4.7
153.09070	15.9
158.10889	2.6
163.14714	2.0
171.10126	1.6
173.13254	7.6
181.07404	1.1
191.14218	10.0
209.15366	10.4
227.16374	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69913	2.3
55.05507	5.4
57.03397	4.3
59.85868	2.5
61.16277	2.8
62.97507	2.5
63.83956	2.4
64.74196	2.4
65.67088	2.4
66.36465	2.3
67.05489	18.1
69.03392	3.0
69.07049	22.0
71.04982	36.1
75.47124	2.9
79.05470	16.5
81.07028	20.8
83.04939	5.1
85.06526	5.1
91.05444	14.5
92.08957	4.3
93.06518	4.0
93.07011	32.6
95.04947	100.0
95.08593	26.8
97.06505	40.0
99.04430	26.7
99.08077	12.6
105.07011	21.8
107.08570	36.5
109.06504	42.9
109.10151	17.4
111.08041	5.0
115.07555	17.8
119.08555	15.7
121.10104	40.9
123.08019	4.7
123.11703	6.0
127.07512	5.2
131.08528	12.3
133.10141	41.9
135.08003	4.0
135.11639	6.1
139.11148	6.8
147.11633	16.0
149.13260	11.6
151.11163	3.6
151.83792	3.1
153.09093	15.3
158.10852	5.1
163.14722	5.2
173.13240	11.9
191.14258	12.4
209.15402	17.3
227.16325	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	227.164
Annotation	Annuionone E
Peak:m/z	Relative Intensity
50.77356	0.9
53.00323	0.9
53.03936	0.9
55.01865	1.2
55.05497	3.9
56.02635	0.9
56.42133	0.8
56.90195	0.9
57.07064	1.0
63.43204	0.8
67.05491	22.2
69.07056	4.7
71.04977	100.0
76.19385	0.8
78.18178	0.8
79.05480	8.0
81.06593	1.7
81.07037	27.0
83.04996	1.0
83.08591	0.9
85.06532	2.0
91.05457	4.2
91.60542	0.9
92.08973	5.0
93.07035	14.0
95.04919	1.7
95.08588	14.3
97.06521	1.6
100.11252	1.1
105.07047	3.7
107.08588	2.1
109.10160	1.3
111.08098	1.0
117.07010	2.1
119.08566	1.1
121.01638	1.7
131.08568	3.9
133.10107	1.3
135.11676	4.9
149.13223	1.7
159.11687	4.6
167.06949	1.0
177.12794	1.4
195.13654	1.0
209.15280	1.3
228.19522	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05492	8.7
57.03416	6.7
57.07061	2.3
59.04985	6.5
67.05489	8.9
69.03425	3.0
69.07049	8.2
70.71984	1.7
71.04986	19.5
73.06562	1.4
75.50540	1.7
79.05464	11.5
81.07018	19.7
83.04962	3.3
83.08601	5.8
85.06519	7.7
91.05453	9.2
92.08716	1.9
92.09232	2.8
93.06992	18.5
95.04944	100.0
95.08558	12.7
97.06499	23.3
97.10132	1.6
99.04428	12.2
99.08074	20.6
100.11191	1.8
105.06999	22.3
107.08572	21.7
108.48402	1.7
109.06501	32.3
109.10135	13.5
111.08070	6.0
115.07550	11.1
119.08545	11.0
121.10126	27.6
123.11689	2.6
125.09586	3.4
127.07533	7.5
131.08524	3.6
133.10095	36.6
135.08037	6.4
135.11671	3.1
139.11150	5.8
147.11687	12.5
149.13191	5.3
153.09058	21.6
163.14734	3.3
167.07008	7.0
171.10097	6.8
173.13216	13.8
177.05428	1.9
191.14264	8.0
209.15317	9.9
227.16335	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.00299	1.7
53.03928	2.9
53.32779	0.9
54.53405	1.0
55.01869	1.8
55.05508	21.7
55.72578	1.0
57.03431	16.7
57.07059	2.0
65.03922	1.6
67.05490	66.6
67.05851	2.4
69.07050	25.5
71.04964	5.9
79.05468	45.1
81.07035	100.0
83.04960	9.2
83.08595	16.2
85.06511	5.8
91.05461	29.5
93.07018	61.4
95.04912	6.5
95.08008	1.8
95.08585	31.1
97.06518	13.8
99.08059	1.8
100.11252	1.8
105.07029	5.9
107.08575	35.7
109.06518	1.5
109.10144	2.3
111.08052	8.3
117.07010	11.6
119.08556	1.6
121.10106	12.0
131.08528	14.8
133.10094	10.6
135.11656	12.8
149.13231	27.1
158.79341	1.2
159.11644	17.2
177.12704	7.7
195.13756	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.7
53.03928	2.9
53.32779	0.9
54.53405	1.0
55.01869	1.8
55.05508	21.7
55.72578	1.0
57.03431	16.7
57.07059	2.0
65.03922	1.6
67.05490	66.6
67.05851	2.4
69.07050	25.5
71.04964	5.9
79.05468	45.1
81.07035	100.0
83.04960	9.2
83.08595	16.2
85.06511	5.8
91.05461	29.5
93.07018	61.4
95.04912	6.5
95.08008	1.8
95.08585	31.1
97.06518	13.8
99.08059	1.8
100.11252	1.8
105.07029	5.9
107.08575	35.7
109.06518	1.5
109.10144	2.3
111.08052	8.3
117.07010	11.6
119.08556	1.6
121.10106	12.0
131.08528	14.8
133.10094	10.6
135.11656	12.8
149.13231	27.1
158.79341	1.2
159.11644	17.2
177.12704	7.7
195.13756	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
53.03935	1.5
53.32771	1.1
55.01856	13.6
55.05501	26.4
56.06541	1.1
57.03406	5.0
57.07053	1.4
65.03881	1.5
67.05488	32.3
69.03408	2.6
69.07048	19.4
71.04961	6.0
72.71761	1.4
73.02896	2.5
79.05470	50.9
81.03373	7.2
81.07029	36.5
83.04944	9.2
83.08599	17.2
85.06526	1.5
88.48328	1.2
88.87367	1.1
90.28329	1.1
91.05450	13.7
92.08907	6.0
92.09431	1.3
92.68182	1.1
93.07018	71.6
95.04941	13.5
95.08578	74.3
97.02850	8.1
97.06505	5.8
97.13310	1.4
99.04408	8.0
105.04484	1.5
105.07001	12.2
107.04945	16.7
107.08572	55.1
107.09292	2.4
109.06512	2.6
109.10127	2.6
111.04436	1.7
111.08084	1.5
113.05968	1.3
117.06981	14.9
119.08557	18.2
121.06457	11.5
121.10095	15.8
124.11081	1.3
125.05951	5.0
130.07730	5.2
133.10101	2.1
135.08031	2.8
135.11655	67.4
135.12679	2.4
143.08487	1.4
145.10086	46.7
154.39861	1.1
163.11131	80.7
165.48407	1.1
167.06964	7.5
173.09648	1.9
181.12184	13.9
185.53734	1.4
227.12733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
51.81657	2.7
53.03928	2.8
53.92781	2.8
54.81853	2.6
55.01863	17.5
55.05258	4.3
55.05502	44.6
56.62140	2.4
57.03423	6.3
57.07054	13.4
58.61111	2.4
64.92179	2.7
65.03935	4.1
67.05491	49.3
69.07063	27.5
71.04980	30.6
73.19671	2.6
74.67094	2.8
74.93507	2.9
79.05480	72.0
81.03390	5.9
81.07034	63.9
83.04964	14.6
83.08605	23.8
91.05451	32.4
92.08818	15.7
92.35263	2.7
93.07020	95.3
95.04945	12.8
95.08579	89.7
97.06521	12.5
99.04424	4.2
100.11218	6.8
105.06998	20.5
107.04932	20.2
107.08579	57.4
109.06488	3.3
109.10114	3.1
111.08173	2.7
114.24139	3.2
117.06982	16.7
119.08534	12.0
121.01631	6.1
121.06481	12.0
121.10096	20.3
125.05946	4.2
131.08537	5.3
133.10074	4.1
135.08058	4.2
135.11659	77.6
137.80305	2.7
139.02704	3.4
145.10138	42.3
149.13321	3.3
163.01826	3.6
163.11148	76.8
181.12253	12.9
209.22313	3.0
222.34703	2.9
227.12747	100.0
248.40686	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	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03929	0.9
55.01860	0.6
71.11029	0.4
78.04697	3.6
79.05468	2.5
80.97810	0.4
85.05250	0.4
89.03896	0.7
91.05464	10.1
93.07024	3.6
95.04926	3.8
101.94479	0.4
103.05444	8.6
105.03377	0.8
105.04495	0.7
106.04134	2.1
107.04900	3.6
109.06433	0.5
116.07050	0.7
117.03354	1.0
119.04895	1.0
121.06489	13.9
122.03619	1.9
123.04391	10.1
124.05206	3.1
131.04895	7.9
133.02769	0.8
134.03613	3.4
135.04395	1.8
137.05948	8.9
140.04654	2.6
146.05968	0.8
147.04425	0.6
148.05200	1.9
149.05965	15.1
151.03879	0.9
152.04652	2.6
155.07010	0.6
159.04362	4.2
163.03860	1.8
163.07524	0.5
165.05530	0.8
167.06996	100.0
176.04572	0.6
176.28017	0.5
177.05417	16.9
181.08534	0.5
209.08073	4.6
227.09116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
50.55649	0.6
53.03937	0.9
55.01859	5.1
55.05489	0.7
56.96550	1.9
57.07055	0.7
58.80779	0.6
63.01591	0.7
65.03918	7.2
67.05485	4.1
69.03435	0.9
71.24741	0.7
73.02900	35.9
73.71970	0.7
79.05444	0.9
82.04185	3.4
85.02885	5.0
91.05445	3.1
92.08969	1.7
93.03366	1.9
95.04938	10.7
97.06498	1.7
107.04905	1.1
107.08620	1.3
109.06488	1.0
110.03635	5.8
110.14395	0.7
111.04401	2.8
115.05013	0.7
117.03371	1.2
119.39547	0.7
121.06471	1.0
123.04420	5.9
125.02332	1.7
125.05952	1.7
135.04353	1.2
138.03104	3.0
140.04663	50.6
140.05753	1.8
142.02586	1.8
145.02858	1.2
149.06088	0.8
153.05440	5.2
155.07008	33.2
163.03859	12.1
167.07030	0.8
171.06512	8.6
173.08078	1.7
179.07071	1.7
181.04922	100.0
209.08064	16.0
217.71246	0.9
227.09129	17.1
249.02989	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0911
Annotation	Massarigenin B
Peak:m/z	Relative Intensity
53.75760	0.7
54.25210	0.8
55.01858	4.4
65.03927	8.6
67.05505	3.4
67.25063	0.7
71.37206	0.7
73.02895	31.5
79.05454	1.2
82.04170	1.9
85.02894	3.8
91.05466	1.8
93.03374	1.6
93.07014	1.4
95.04945	7.5
97.06496	3.4
101.84532	0.9
107.08592	0.9
108.02072	1.1
110.03660	5.3
111.04449	1.0
121.06498	2.1
123.04408	5.5
125.02324	1.4
125.05970	4.0
136.60649	0.9
138.03091	5.2
140.04654	47.0
140.05750	1.6
142.02570	1.6
153.05460	4.6
155.06992	29.2
171.06546	7.4
179.06975	1.5
181.04912	100.0
181.08470	3.3
209.08089	11.0
210.08365	0.8
227.09128	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	227.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27316	0.6
53.96070	0.6
55.01866	5.6
55.05502	3.6
56.96555	1.6
65.03928	8.5
67.05502	7.1
69.03413	0.9
69.07077	0.7
73.02898	30.8
79.05471	1.4
81.07033	1.2
82.04193	2.8
83.04932	0.7
84.98399	0.7
85.02908	5.9
89.03896	1.2
91.05464	3.5
92.08840	1.4
93.03402	1.5
93.07025	3.5
95.04941	12.2
95.08585	1.2
97.02915	0.9
97.06525	3.9
103.05479	0.9
105.04482	1.0
107.04929	1.7
107.08585	3.3
108.02122	1.8
109.10165	1.2
110.03655	4.1
111.04436	1.0
119.08542	0.7
121.06479	1.8
121.10104	0.9
123.04435	4.4
123.08012	1.0
125.02371	3.3
125.05986	1.6
133.10106	1.4
135.04433	2.9
138.03162	2.6
140.04663	52.7
142.02573	1.8
143.00243	0.8
144.62476	0.8
145.02791	1.1
147.11626	1.0
153.05473	3.2
155.07010	26.9
162.64977	0.7
163.01817	3.4
163.03886	8.7
167.07030	0.8
171.06444	8.2
177.05276	0.8
179.07018	3.7
181.04927	100.0
181.08464	3.3
203.02145	1.3
209.08058	10.9
227.09108	13.7
227.16417	1.2
249.02617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.00298	2.0
53.03930	8.7
55.01865	2.8
55.05508	35.9
56.80312	1.4
56.96574	2.7
57.03421	2.4
57.07067	39.4
58.77040	1.4
61.04039	1.7
67.05494	61.3
69.03402	2.9
69.07059	14.7
71.04968	4.0
71.08607	17.4
73.06524	2.1
79.05476	93.4
81.03389	9.6
81.06599	2.9
81.07041	58.6
83.04967	47.9
83.08610	8.6
85.06525	4.2
85.10167	7.8
86.35466	1.7
89.54317	1.6
91.05466	72.3
93.07025	100.0
95.04948	37.3
95.08578	33.1
97.06510	3.5
97.10148	2.9
97.44902	1.6
99.04431	2.5
101.00876	3.9
101.95000	13.5
105.04468	2.0
105.07024	53.4
107.02587	1.6
107.04919	4.0
107.08575	12.1
109.06517	9.3
109.10125	2.2
117.06993	10.5
119.01900	38.4
119.08560	27.4
119.96046	9.2
120.97838	1.9
121.06438	2.1
121.10088	6.7
123.08035	8.1
128.06151	2.4
129.06998	18.8
133.10095	7.0
137.02962	24.0
137.97086	7.6
138.98923	2.8
142.03474	13.5
143.08553	10.0
145.10135	11.9
147.11687	39.2
160.04562	6.8
160.98683	2.3
161.02934	3.2
161.09593	2.9
161.13268	7.6
171.11650	24.6
178.99692	2.8
179.03999	10.2
189.12704	9.9
197.30086	2.0
202.05968	1.7
207.13727	14.5
210.12376	2.4
225.14789	50.5
225.19467	2.2
247.08820	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	227.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	4.9
55.05491	18.8
56.96559	6.6
57.03416	6.2
57.07063	6.8
67.05481	5.2
69.03408	5.9
69.07040	14.8
71.04971	15.1
79.05464	8.4
81.07027	8.7
83.04964	6.8
83.08572	4.7
85.06493	3.6
91.05442	8.5
92.09058	3.5
93.07011	16.1
95.04944	100.0
95.08566	4.3
95.33804	3.0
96.00570	26.8
97.06503	7.0
97.10125	3.7
98.97575	13.7
99.04435	5.0
99.08071	4.9
105.07024	18.9
107.04890	4.8
107.08533	6.4
109.06503	20.0
109.10170	3.9
111.04454	3.9
111.08091	5.3
112.36079	3.6
115.72974	3.6
116.98562	4.8
117.06980	4.7
119.08522	5.7
121.00816	4.3
121.01643	14.7
121.06486	4.5
121.10120	20.6
123.04411	3.6
123.08034	4.0
133.10101	17.0
139.01738	7.2
139.02676	7.5
139.11099	4.1
140.04649	3.9
143.00070	4.3
145.10104	3.7
147.11722	5.3
153.09105	8.4
161.01213	12.8
163.01787	15.0
163.03845	8.3
167.06984	14.3
171.10112	5.4
173.13275	3.8
181.02795	40.3
182.05775	18.6
209.08125	5.6
209.15321	12.9
210.05261	18.0
224.00096	3.7
227.07848	86.1
227.16376	19.6
249.37389	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	225.1484
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.05503	4.1
55.05720	0.4
57.03416	1.0
57.07065	3.4
59.04993	0.8
65.03931	0.6
65.08619	0.4
65.74516	0.4
67.05502	8.1
69.03413	2.5
69.07053	1.1
71.04962	1.9
71.08623	0.8
77.48458	0.5
79.05482	4.2
81.03370	1.1
81.07040	6.2
83.04971	16.0
87.22514	0.4
91.05486	3.2
92.08889	0.7
93.07035	6.5
95.04932	4.4
95.08593	11.3
97.06522	4.0
99.04455	1.9
99.08079	4.0
105.03393	0.7
105.07020	6.1
107.04924	1.1
107.08593	7.9
108.56930	0.4
109.06506	13.3
109.10160	1.9
111.04432	5.5
111.08106	0.8
119.01878	0.4
119.04831	0.4
119.08567	4.7
121.06488	3.8
121.10123	9.5
123.08049	100.0
123.11662	1.7
125.09629	2.7
125.16953	0.4
127.07574	0.6
131.08549	0.6
133.10118	2.4
135.08020	0.6
135.11676	2.3
137.09584	2.8
145.10146	1.1
147.08037	0.5
147.11697	2.1
149.09601	6.3
151.07555	0.8
151.11169	3.3
156.09378	0.5
161.13237	1.0
163.11130	3.5
165.12762	0.7
167.10652	5.3
171.11568	0.5
173.29782	0.5
181.12166	0.8
189.12712	2.1
207.13824	3.6
225.14801	2.1
229.54059	0.5
247.83582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.62637	1.5
55.05494	9.3
56.21872	1.4
57.03426	2.7
57.07079	16.2
59.04996	8.7
63.46430	1.5
67.05493	13.9
67.26624	1.5
69.03414	15.6
69.07054	14.0
70.73417	1.4
71.04974	3.9
71.08607	4.4
74.96432	1.9
79.05476	17.8
81.07036	23.7
83.04964	12.9
83.08572	3.0
85.02888	2.6
85.06522	2.5
85.10171	1.8
87.04449	7.8
91.05470	17.7
92.09012	8.7
93.07027	37.3
95.04964	10.9
95.08600	17.4
97.06526	8.5
105.07018	36.8
107.08588	33.7
109.06516	16.0
109.07147	2.2
109.10160	11.4
111.08078	4.0
116.00755	1.9
117.07014	2.8
119.01883	2.2
119.08562	23.8
121.06461	2.7
121.10134	14.2
123.08052	13.2
123.11695	7.4
131.08545	2.4
133.06483	2.4
133.10120	10.7
135.11638	1.8
137.05963	2.5
137.09601	7.1
139.11217	3.3
143.08582	3.3
145.10103	2.2
147.08028	2.7
147.11681	12.7
149.09612	11.6
151.07579	2.4
151.11162	100.0
156.09314	3.6
161.09579	4.1
161.13242	12.7
163.11168	6.9
165.09111	7.5
177.12724	3.0
181.12225	3.6
189.12720	10.6
207.13779	42.4
225.14758	12.6
248.61998	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03932	4.2
55.01866	5.6
55.05503	18.9
57.03415	4.6
57.07063	2.0
59.04715	1.2
59.04991	24.2
65.03919	3.5
67.05493	38.2
69.03410	10.5
69.07056	9.0
71.04957	1.5
74.49900	0.9
77.03895	1.2
79.05478	29.7
81.03417	2.2
81.07042	26.2
83.04969	7.6
86.52844	0.9
86.74039	0.9
91.05459	38.5
91.06001	1.7
92.09194	1.1
93.07024	44.1
95.04948	21.5
95.08581	29.7
96.92336	1.0
97.06505	4.9
101.05979	1.0
103.05463	8.6
105.07014	95.7
106.04205	1.1
107.04939	10.0
107.08577	92.6
108.05730	4.4
109.06502	46.8
109.10136	28.7
111.04417	3.9
111.08073	1.5
117.06980	7.4
119.04977	1.7
119.06056	1.8
119.07710	2.2
119.08555	62.6
121.06474	17.6
121.10123	13.1
122.07268	3.8
123.08043	100.0
123.11720	1.1
125.05996	4.6
125.09588	6.2
125.27550	0.9
128.06224	1.3
129.06981	1.2
131.08546	8.4
133.06473	11.2
133.07523	3.4
133.10101	18.6
135.08034	33.9
135.11658	31.2
137.09596	82.4
137.13222	1.4
143.08534	3.8
145.06497	1.4
145.10107	3.8
147.08055	7.4
147.11664	21.2
149.09642	8.6
151.07507	9.7
153.09081	16.4
156.09323	6.8
159.08034	1.0
159.11670	4.0
160.85770	1.0
161.09612	1.9
161.13226	29.2
163.11121	1.0
165.12659	1.2
171.11687	5.6
174.10361	1.7
177.12721	2.1
189.12701	9.5
207.13820	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.7
55.01863	4.8
55.05503	23.0
57.03428	6.2
57.07060	3.0
59.04686	0.6
59.04987	22.8
65.03926	2.9
67.05491	37.1
68.91267	0.6
68.99771	1.1
69.03411	10.5
69.07053	9.8
69.76413	0.7
70.94956	0.6
71.04977	2.7
73.06524	0.9
73.06941	0.6
77.03941	0.7
78.42579	0.7
79.05473	31.0
81.03406	3.0
81.07032	29.2
83.04971	8.4
83.08604	1.3
85.02894	1.5
85.06583	1.0
91.04882	1.1
91.05457	37.9
92.08882	2.7
93.07020	42.8
95.04942	21.1
95.08579	27.6
97.06533	5.0
99.04436	0.8
103.05433	7.4
105.04527	1.2
105.07009	95.9
107.04940	9.5
107.08573	94.9
108.05733	4.0
109.06494	43.7
109.10139	30.8
111.04440	3.2
111.08089	3.6
115.05427	1.5
117.06995	8.4
119.04926	1.0
119.06074	2.7
119.07853	0.9
119.08553	65.6
121.06477	17.3
121.10099	11.8
122.07278	7.2
123.08039	100.0
123.11656	0.9
125.05961	4.2
125.09619	4.6
128.06181	1.5
129.06995	1.2
131.08531	5.6
133.06488	9.7
133.07616	2.9
133.10103	20.5
135.08029	36.6
135.10646	1.2
135.11665	36.9
137.09592	81.2
137.13234	1.1
137.90378	0.6
143.08542	3.6
145.10123	4.1
146.10884	1.0
147.08000	5.8
147.11661	25.6
149.09598	10.6
151.07524	10.5
151.11185	0.8
153.09097	16.6
156.09338	6.4
159.08037	1.4
159.11679	4.3
160.08777	1.2
161.09605	2.4
161.13222	29.4
162.96782	0.7
163.11220	2.9
165.09116	0.7
165.12790	0.8
171.11617	6.2
174.10362	1.2
177.12688	3.6
189.12701	11.2
206.51067	0.8
207.13763	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	225.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.8
57.07061	2.5
60.03211	0.4
64.22967	0.4
64.33298	0.6
67.05487	4.7
69.03391	1.0
69.07046	0.4
71.04968	0.7
73.71907	0.4
79.05473	3.6
81.06546	0.8
81.07034	24.5
83.04998	0.5
83.08607	0.4
85.02888	100.0
85.06525	0.4
85.44498	0.4
86.33643	0.4
89.83580	0.4
91.05468	4.1
92.08929	0.7
93.07001	3.7
95.04959	0.6
95.08597	5.9
95.31855	0.4
105.07021	6.2
107.08574	6.2
109.06490	2.2
109.10148	7.7
111.04397	0.7
117.06997	0.7
119.04930	2.0
119.08534	5.7
121.06467	0.8
121.10126	8.8
123.08066	0.9
123.11678	54.1
125.05950	5.9
130.07744	0.5
131.08539	2.0
139.07584	0.7
143.08456	0.5
145.10118	0.7
146.99800	0.5
147.04379	0.5
147.08017	3.0
147.11671	3.8
149.09581	3.8
151.07491	0.7
152.90686	0.4
156.09311	0.9
165.12779	0.6
171.11658	0.6
175.03841	0.9
185.64949	0.5
189.12749	2.2
207.06480	1.0
207.13773	8.1
225.14874	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03938	2.4
54.78049	1.0
55.01862	5.6
55.05505	17.5
57.03427	2.1
57.07057	2.3
59.04993	31.3
62.97339	1.1
65.00894	1.1
65.03919	1.7
67.05499	26.8
69.03413	27.9
69.07057	10.9
71.04976	5.4
74.45200	1.0
76.07121	1.0
77.70031	1.1
79.05475	23.3
81.03413	4.9
81.07036	28.4
81.14467	1.1
83.04970	8.3
85.02895	5.3
90.26685	1.1
91.05453	35.4
92.08653	1.3
92.09126	2.4
93.07016	38.1
93.07570	1.9
95.04939	14.3
95.08580	26.1
97.06515	3.0
101.05991	1.8
103.05473	2.9
105.07012	82.3
107.04964	9.6
107.08574	73.0
108.05679	2.2
109.06496	32.3
109.10133	21.1
111.04494	1.6
111.08053	5.0
117.06986	2.7
119.06055	2.2
119.08565	46.1
119.09393	2.2
121.06490	15.8
121.10134	18.7
121.56645	1.2
122.07287	6.4
123.04400	2.1
123.08041	100.0
123.11679	2.7
125.05975	2.4
125.09601	6.5
129.06973	1.3
131.08597	5.7
133.06508	10.0
133.07526	1.8
133.10115	26.2
135.08023	33.4
135.11671	16.5
137.09593	49.1
139.11127	1.5
143.08522	1.9
144.09302	1.3
145.10121	2.1
147.08049	5.4
147.11679	23.9
147.89586	1.3
149.09605	22.2
150.17136	1.2
151.07506	5.0
153.09059	14.5
156.09331	8.3
159.08018	2.5
159.11690	2.0
161.09547	2.4
161.13251	18.1
163.11119	2.1
171.11661	5.9
171.64719	1.2
174.10381	1.7
177.12785	2.6
189.12747	12.3
207.13831	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.01865	1.4
55.05489	5.4
57.03431	1.5
57.07059	5.1
63.96502	0.9
67.05487	13.5
69.03402	4.9
69.07045	5.5
69.72263	1.0
71.04974	15.2
71.08616	1.2
78.81236	1.0
79.05488	10.4
81.03384	2.5
81.07037	13.2
83.04968	4.8
84.47066	1.0
85.02882	1.2
91.05452	16.3
92.09004	4.8
93.07022	27.6
95.04949	5.9
95.08573	7.8
97.06520	4.2
103.05446	2.2
105.07012	27.7
107.04913	4.4
107.08551	12.9
109.02857	1.5
109.06516	10.3
109.10139	18.0
116.00993	1.1
117.06995	2.3
119.04902	1.3
119.08556	23.2
121.06442	5.9
121.10114	53.2
122.07242	1.2
123.08045	12.0
123.11725	2.1
129.06946	1.2
131.08557	6.4
132.05887	1.2
133.06508	1.8
133.10098	7.1
135.08006	4.3
135.11690	2.2
137.09592	32.5
137.13170	1.2
140.07870	1.2
143.08528	2.0
145.10074	4.6
147.08032	7.1
147.11681	12.1
149.09599	100.0
149.87187	1.0
156.09383	4.0
159.07996	1.9
161.13220	9.8
163.11198	6.7
165.09068	18.3
165.12701	2.0
171.11687	5.1
174.10349	4.6
189.12721	14.3
192.06253	1.0
207.13795	9.5
225.14809	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	225.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81885	0.2
56.50534	0.2
57.17570	0.2
64.42387	0.3
82.99807	0.5
92.09135	0.3
100.02426	0.2
101.00855	17.0
119.01895	100.0
120.02016	0.4
124.02421	2.0
136.56932	0.3
137.02927	32.7
142.03479	33.4
143.99660	0.2
158.97231	1.7
159.98016	0.3
160.04518	12.9
161.02919	11.0
165.05147	0.6
176.98228	2.3
179.03966	24.9
179.49872	0.3
179.99963	0.3
184.04565	1.3
199.50102	0.3
202.05531	1.9
216.96414	0.3
219.99818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38604	0.2
63.03949	0.2
73.15328	0.2
82.99805	1.0
84.63373	0.3
98.98434	0.3
101.00861	17.3
116.17429	0.3
116.43034	0.3
119.01899	100.0
121.02354	0.4
124.02402	1.8
131.01894	0.3
137.02933	33.1
142.03477	33.6
158.97240	1.5
160.04529	12.4
161.02937	9.4
164.46771	0.3
165.05133	0.4
176.98230	2.7
177.98943	0.3
179.03975	22.9
179.49907	0.3
184.04507	1.3
190.23761	0.3
202.05624	2.4
218.99440	0.4
219.99689	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Methyl jasmonate
Peak:m/z	Relative Intensity
53.03939	3.1
53.76497	1.2
54.35547	1.1
55.01872	2.9
55.05508	42.3
55.13752	1.5
56.37775	1.5
57.03427	6.8
57.07058	7.1
60.25181	1.5
61.16106	1.7
65.84277	1.4
67.05498	24.8
69.03429	6.1
69.07057	9.9
71.04980	3.1
71.08633	1.6
79.05473	30.4
81.03400	100.0
81.07038	30.4
83.04966	41.4
83.08608	26.8
85.06515	1.7
91.05471	26.8
92.08955	2.1
93.07023	14.6
95.04958	32.9
95.08605	8.9
96.02862	1.3
97.02875	2.1
97.06526	2.7
97.10156	8.0
105.07021	23.1
107.04942	10.6
107.08588	5.6
109.06542	3.2
111.08067	11.8
115.05398	1.9
119.01929	9.7
119.08549	13.5
121.10095	6.0
123.08040	1.5
129.06993	9.5
131.08585	10.7
133.06464	3.4
133.10117	7.1
137.02988	2.1
142.03481	2.9
142.07788	3.0
145.10138	1.8
147.08098	3.1
147.11641	10.7
149.09634	6.2
157.10173	11.7
175.11186	8.7
193.12204	43.0
202.89998	1.7
221.35960	1.4
225.14891	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	16.0
57.00340	12.0
57.03416	22.3
58.02948	16.5
71.01332	15.0
73.02901	24.5
74.03844	13.5
77.25134	10.5
87.04430	22.9
92.08971	12.7
92.63890	12.4
101.02343	55.6
114.57390	13.9
115.03905	55.0
129.01785	100.0
133.04947	15.9
143.03371	18.2
157.01294	30.5
161.04387	28.9
189.03909	63.3
213.44156	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	224.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60921	13.6
56.96557	29.6
59.05000	19.7
73.02905	21.5
75.04427	21.0
79.05430	13.9
84.08123	14.9
85.02943	15.9
87.02915	12.2
91.05480	25.7
92.08784	31.7
92.09295	15.5
93.06931	15.8
95.94385	13.7
95.95718	12.5
97.76517	14.9
98.97541	100.0
105.07018	16.9
107.07774	14.6
116.98606	59.0
119.01857	21.4
128.98610	16.1
133.09917	14.0
134.99640	21.3
147.04445	63.8
187.85484	14.0
189.03897	80.4
197.96518	16.5
203.57661	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2055
Annotation	(E,Z)-farnesol
Peak:m/z	Relative Intensity
55.01886	2.1
55.05505	36.7
56.32711	1.6
57.07066	25.0
60.51687	1.9
61.04840	1.5
67.05499	41.3
69.07053	55.1
71.04982	12.4
71.08635	2.9
79.05464	14.2
81.07038	55.8
81.07480	3.3
83.08609	82.2
83.09099	3.8
85.06535	22.9
91.05468	8.3
92.08828	2.4
93.07030	69.2
95.04932	2.7
95.08589	60.9
97.06516	2.6
97.10121	15.0
98.97568	11.3
99.08080	40.4
105.07021	4.4
107.08582	72.1
109.06561	2.1
109.10149	90.9
116.98611	4.9
119.08533	2.2
121.10132	50.0
123.11699	32.8
126.14438	1.9
133.10214	2.1
134.99635	4.2
135.11667	32.6
137.13272	4.4
138.16869	1.7
138.82278	1.9
139.14824	8.0
149.13239	100.0
155.65739	2.1
163.14835	13.7
165.16270	3.4
178.68652	2.0
182.55998	1.8
187.14883	2.2
205.19493	64.8
223.17085	2.5
223.20538	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2055
Annotation	(E,Z)-farnesol
Peak:m/z	Relative Intensity
55.05505	36.6
55.62300	1.2
57.07067	25.5
61.45631	1.4
62.13811	1.3
67.05497	36.3
69.06714	2.4
69.07056	48.2
71.04959	8.7
71.08623	2.3
78.37122	1.6
79.05493	14.6
81.07037	56.3
83.08607	100.0
83.72475	1.6
85.06529	16.5
89.62656	1.7
91.05457	6.2
92.08750	5.4
92.09286	2.7
93.07029	53.8
94.75471	1.6
95.04923	1.7
95.08585	50.6
97.10161	19.8
98.97537	6.9
99.07487	2.5
99.08083	52.0
105.07030	2.6
107.07869	2.4
107.08582	58.4
109.10143	75.0
111.11748	2.4
116.98618	2.2
121.10125	33.6
123.11690	40.8
135.11681	28.0
139.14760	5.6
149.13239	88.3
154.70992	1.6
163.14774	10.5
205.19495	48.5
223.13254	2.2
223.20538	79.7
223.31926	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
67.57627	0.3
90.79525	0.4
92.09271	0.5
93.31805	0.3
101.00848	0.7
119.01904	4.5
138.96335	5.4
146.32593	0.5
153.41580	0.4
156.97450	90.1
174.98495	100.0
179.99043	2.3
198.00128	2.1
198.96663	0.4
198.98491	12.7
199.00233	0.6
216.99545	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.3
53.03944	2.8
55.01862	2.9
57.03175	0.4
57.03432	7.5
58.38908	0.2
61.02914	13.6
61.69688	0.2
66.67017	0.2
69.03417	24.4
71.01323	0.6
71.04981	3.7
71.49966	0.2
73.02904	6.4
74.76001	0.2
81.03408	8.0
83.01325	0.6
83.40240	0.3
85.02891	100.0
86.78265	0.3
87.04448	2.4
91.03930	4.6
97.02871	19.9
98.97571	1.5
99.04446	3.7
101.02345	0.6
103.03947	0.4
106.99966	0.3
109.02866	9.1
115.03931	0.5
127.02966	0.6
127.03897	15.5
145.04942	13.6
163.06017	2.0
167.07037	0.4
207.99074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1691
Annotation	Rishitin
Peak:m/z	Relative Intensity
50.61121	3.2
55.05492	24.8
56.96548	7.7
57.03425	6.8
57.07051	6.4
64.57724	3.7
67.05482	18.2
69.03407	5.2
69.07043	21.4
71.57189	3.4
73.10294	4.2
74.27953	4.1
79.05463	15.8
81.07050	34.5
83.08611	7.8
91.05454	19.2
93.07015	26.2
95.08587	38.3
98.97560	96.5
99.97895	25.3
105.07008	58.7
107.08570	81.6
109.06490	8.1
109.10140	20.2
111.08049	4.6
116.98613	100.0
117.06964	7.6
117.98936	28.9
119.08537	46.1
121.06474	17.1
121.10133	51.5
123.08022	5.9
131.08539	20.9
133.10132	19.6
134.99632	88.7
135.07986	8.1
135.11641	18.0
135.99950	21.2
145.10112	73.4
147.11644	39.3
149.09608	9.6
149.13240	21.2
153.00676	8.3
157.10109	6.8
158.01221	17.6
158.10869	6.2
159.01552	7.0
159.11661	16.6
161.13220	20.2
163.14774	36.3
172.12469	5.7
177.02625	7.0
177.16348	9.2
187.14778	51.6
205.15916	52.6
218.61855	4.1
223.16910	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	221.1899
Annotation	Fokienol
Peak:m/z	Relative Intensity
53.03947	1.6
53.56861	1.3
54.81538	1.5
55.05507	10.4
57.07070	2.3
58.68904	1.3
65.03926	1.8
66.42719	1.4
67.05502	8.2
69.07066	6.8
69.23440	1.4
70.77944	1.4
71.04984	15.0
79.05477	20.8
81.07042	100.0
89.29298	1.4
91.05461	12.4
92.09147	5.8
93.07034	41.7
93.07568	2.4
95.05013	1.4
95.08593	19.5
98.97581	2.4
99.08135	3.1
105.07020	26.6
105.60641	1.9
107.08584	63.9
108.23761	1.5
109.10152	14.2
115.06067	1.5
119.08561	35.1
121.10176	2.8
123.11699	12.8
126.63392	1.5
127.11180	2.6
132.33206	1.6
133.10124	19.3
135.11673	77.6
135.12686	3.2
147.11696	12.8
149.13260	2.1
161.13252	3.7
203.17986	16.3
211.92497	1.8
221.19043	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05497	17.6
56.96552	7.2
57.07056	4.3
60.23221	1.5
67.05494	34.7
69.07055	47.9
71.04974	4.2
71.08652	2.1
72.81145	1.8
79.05460	13.7
81.07040	77.4
83.04969	3.6
83.08595	9.0
85.06524	1.9
85.69718	1.5
87.93629	1.8
91.05454	38.5
92.08922	10.4
92.29278	1.7
93.07026	41.5
95.04926	4.2
95.08584	89.9
97.06503	3.2
97.10159	3.8
98.96920	3.7
98.97565	100.0
105.07018	96.1
107.08587	44.5
109.06517	2.9
109.10141	92.8
111.11707	4.2
116.98599	89.9
117.07014	3.0
119.08559	96.2
121.10123	30.3
123.08036	2.3
123.11694	19.2
127.11124	19.2
131.08475	2.1
133.10106	48.4
134.99629	60.6
135.11673	11.3
137.09651	2.0
137.13275	3.6
140.00165	2.6
144.40579	2.0
147.11667	47.3
149.13225	8.9
151.11189	2.2
153.00693	8.3
158.01274	14.8
161.13307	13.5
163.14851	2.7
175.14819	7.4
176.02283	3.3
178.51067	2.0
203.17928	61.4
221.15181	2.0
221.18950	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03935	1.2
54.81748	1.0
55.05496	10.2
57.07059	2.0
67.05488	12.0
69.07051	11.5
71.04978	12.8
79.05471	24.7
81.07038	100.0
82.07361	1.5
83.08614	2.4
85.06522	1.7
91.05465	12.9
93.07024	46.9
95.04980	1.9
95.08573	22.4
97.06478	1.2
98.97541	1.6
99.08056	2.5
105.07011	30.5
107.08575	63.5
109.06497	5.3
109.10130	19.9
114.93903	1.2
116.98561	1.6
117.07021	1.7
119.08558	45.8
121.10112	10.2
122.49972	1.2
123.11672	15.2
127.11214	4.1
131.08549	1.8
133.10107	20.9
135.11664	75.9
137.09552	1.1
145.10057	4.2
147.11655	15.2
149.13242	5.2
161.13208	5.0
163.14824	2.5
177.09081	7.0
203.17883	20.6
221.18985	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Fokienol
Peak:m/z	Relative Intensity
53.03933	1.4
54.81209	0.9
55.05504	9.8
57.07067	2.5
58.64386	0.9
65.03928	1.2
67.05499	6.4
68.65675	0.9
69.07055	9.0
71.04980	10.2
73.57178	1.0
74.90134	0.9
79.05473	25.3
79.31955	1.2
79.60125	1.1
81.07040	100.0
83.08619	1.9
84.97783	1.0
91.05456	12.8
92.09190	6.9
93.01134	1.0
93.06483	2.1
93.07031	36.0
95.08586	16.6
105.07014	22.7
107.07865	2.2
107.08587	59.6
109.06515	4.4
109.10154	15.2
119.08562	31.3
121.10135	6.2
122.24596	1.1
123.11682	11.3
127.11179	5.1
133.10123	15.1
135.11682	70.2
147.11671	12.1
149.13234	1.6
161.13274	5.6
176.43965	1.2
191.87180	1.2
203.17897	16.2
221.19012	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	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.08495	0.3
53.03930	0.6
55.05502	9.9
57.07061	0.8
67.05486	4.8
69.03427	0.6
69.07050	6.7
71.04972	0.6
71.21895	0.4
73.06535	6.5
78.89533	0.5
79.05474	4.7
81.06604	0.6
81.07042	14.2
83.08607	0.8
85.06513	0.8
91.05444	8.7
92.08941	0.9
93.07018	18.2
95.04924	0.9
95.08575	9.9
98.01167	0.4
98.97543	1.8
99.08082	0.6
105.07013	51.6
107.08573	14.3
108.62517	0.4
109.06468	0.7
109.10113	5.2
116.98609	1.1
117.06978	0.9
119.08552	29.1
121.10117	7.7
123.07980	0.6
123.11674	3.7
131.08525	2.2
133.10103	10.0
134.99648	0.7
135.11688	1.1
145.10063	3.4
147.11664	100.0
149.02335	0.9
149.13232	24.5
151.11169	0.6
161.05962	1.0
161.13206	3.1
163.14801	1.0
203.17934	9.6
221.18970	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.67800	1.6
55.05500	15.6
56.96562	1.9
57.03423	2.5
57.07062	3.0
59.75191	1.9
67.05486	24.6
69.07048	21.9
71.04961	2.6
71.08575	2.4
79.05473	23.4
81.07035	100.0
83.08616	6.6
83.74796	1.6
91.05463	17.5
92.09141	10.3
93.07018	55.3
95.08584	89.6
97.06518	2.7
97.10120	3.3
98.97559	23.8
105.07011	61.5
107.08574	78.0
108.74217	1.6
109.06451	2.2
109.10145	49.9
116.98608	14.4
117.06931	1.6
119.08556	56.4
121.10129	34.4
123.11698	14.2
125.09598	1.8
131.08475	2.5
133.10101	34.9
134.99640	6.9
135.11673	24.1
147.10587	3.3
147.11662	60.7
149.13258	2.5
156.26276	1.9
159.11688	2.0
161.13254	15.0
163.14803	34.8
175.14778	11.1
201.63754	1.7
203.17918	96.2
210.14162	1.7
213.02518	1.8
221.18947	26.4
240.80972	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.97807	0.7
53.03929	0.8
55.05498	9.2
56.75488	0.8
56.96545	8.7
57.07058	4.0
57.67788	0.8
59.41381	0.7
67.05487	13.7
69.07053	18.9
71.04970	1.0
74.24219	0.8
79.05474	7.4
79.88090	0.8
80.18946	0.8
81.07033	37.5
83.08587	6.3
85.06520	0.8
86.31754	0.8
91.05447	9.6
93.07026	21.9
95.04955	1.2
95.08580	43.5
96.32028	1.0
97.06499	3.6
97.10154	1.1
98.97559	91.3
105.07007	39.4
105.33595	1.1
107.08576	21.5
109.06494	1.0
109.10145	21.8
111.08034	1.4
116.98592	100.0
117.06969	1.2
119.08559	37.2
121.10105	15.9
123.08097	1.6
123.11662	12.7
131.08519	1.2
133.10097	21.9
134.99629	78.5
135.11613	7.1
137.09590	1.8
137.13254	2.1
139.11148	1.7
140.00191	4.6
145.10135	3.3
145.48595	1.0
147.11659	31.2
147.12750	1.7
149.13240	2.2
153.00696	17.2
158.01215	28.0
159.11644	1.4
161.13226	10.2
163.14772	3.5
165.12706	2.0
175.14804	6.9
176.02234	7.0
177.05394	1.7
177.16321	3.9
198.99002	1.0
203.17908	27.7
221.15411	1.5
221.18988	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	221.0919
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
50.38654	0.3
54.81200	0.4
55.01852	0.4
64.87514	0.4
66.12014	0.4
67.05499	0.7
69.03428	0.8
69.55136	0.4
70.02931	0.5
70.06577	0.6
71.04944	0.4
72.04486	0.7
76.55980	0.7
79.05479	0.6
82.02902	2.1
83.01300	0.6
84.08110	2.2
85.02856	0.5
85.06511	0.7
90.05537	7.3
91.05869	2.1
92.08846	0.9
92.09316	0.5
94.06532	3.8
95.01308	2.2
95.04958	0.7
98.02422	0.8
99.02711	0.6
101.05993	2.1
103.05437	0.6
104.04978	0.6
115.05396	0.9
116.03445	0.8
119.01950	0.9
124.07530	0.8
130.06500	100.0
132.04424	50.1
132.08089	0.6
141.05437	1.9
146.06010	0.5
148.07556	2.9
156.06807	1.1
157.07584	65.3
158.05983	81.0
159.09198	0.6
175.08630	48.8
176.07018	0.8
185.07069	2.7
186.05487	1.9
203.08127	23.9
204.06503	1.1
220.11795	1.0
221.09201	5.8
221.12311	2.0
222.10724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
50.02439	0.4
57.07071	0.6
58.61784	0.4
72.04507	0.5
74.02404	0.7
82.02908	2.2
85.06519	0.5
90.05539	5.2
91.05894	0.7
92.08837	0.8
94.06548	4.3
95.04937	0.5
98.02403	0.8
103.05466	0.8
103.07539	0.7
115.05418	0.8
120.08086	0.7
124.07598	1.0
125.07875	0.5
130.06503	100.0
132.04430	52.0
147.09135	0.7
148.07553	3.2
151.58975	0.4
156.06792	0.5
157.07590	59.7
158.05989	79.5
175.08636	43.7
175.10185	1.0
176.07025	2.0
185.07083	1.1
185.09973	0.6
203.08125	24.4
203.11041	1.2
204.06546	2.0
220.11830	0.9
221.09193	5.9
221.11926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1177
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
50.62620	0.7
55.01855	2.0
55.05494	1.2
56.01381	0.8
57.07067	10.6
59.04982	9.1
67.05493	10.2
69.07062	7.8
70.02935	11.5
71.04967	1.3
72.04493	17.9
72.58012	0.9
73.02887	6.0
73.06541	0.9
74.02405	2.2
83.04957	1.4
85.02876	1.2
85.06526	18.5
87.08074	1.0
87.79337	0.8
88.03970	0.8
90.05531	100.0
92.09151	1.4
95.04942	11.4
96.08110	1.9
98.02389	25.1
98.97544	2.1
100.03955	1.8
103.07554	10.1
113.05979	2.1
116.03421	12.7
116.98582	1.4
124.07563	25.8
130.06497	5.0
132.04437	2.3
142.08591	9.3
157.07579	4.1
158.05969	6.1
158.99715	1.0
160.09650	2.1
166.08585	1.1
174.11223	1.8
175.08633	1.4
184.09671	15.2
202.10699	23.1
202.12425	1.4
220.11736	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	220.1178
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.05495	0.9
57.07053	9.7
58.12959	1.2
59.04974	7.8
63.42979	1.0
64.33507	1.1
64.66286	0.9
67.05486	8.5
69.07035	4.7
70.02934	9.8
71.73291	0.9
72.04175	1.3
72.04498	19.6
73.02887	5.2
74.02406	4.3
83.04987	1.3
85.06519	14.5
87.08080	1.2
90.05530	100.0
91.77226	1.0
95.04951	8.4
96.08096	4.2
97.37947	1.1
98.02383	22.2
100.03931	1.3
103.07572	9.4
104.64508	1.0
113.05995	2.5
114.09163	1.1
116.03438	12.3
124.07573	26.2
131.07063	1.5
142.08626	9.5
174.05493	12.3
184.09665	19.2
202.10701	24.5
203.93269	1.0
215.82428	1.2
220.05966	5.2
220.11758	29.5
232.22812	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82002	19.3
61.49647	18.3
84.72160	19.7
92.08926	80.2
112.32730	19.9
143.96619	21.7
200.05983	22.3
221.04190	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	221.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62699	0.2
66.22952	0.2
82.01431	1.2
82.99835	0.4
92.09132	1.4
93.32389	0.3
98.43781	0.3
98.97585	0.4
100.02457	3.7
101.00863	12.7
118.03506	3.0
119.01902	100.0
136.04532	0.3
137.02937	48.3
138.03055	0.3
142.03481	1.8
143.03648	0.5
160.04529	1.5
161.02933	12.2
161.04582	1.4
178.05569	0.4
179.03983	34.8
179.98093	1.2
197.99165	2.8
202.05656	0.3
221.01518	0.5
221.04991	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	10.2
58.06573	0.9
62.06070	1.0
67.65060	0.4
68.78768	0.4
70.06203	0.5
70.06579	18.3
71.08615	7.5
88.07613	25.1
92.08853	0.5
102.09157	6.3
106.08652	12.6
169.85037	0.5
174.18571	1.8
190.99333	0.5
197.51848	0.5
200.20062	10.0
218.21118	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	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03936	2.6
54.81748	1.8
55.05502	19.7
57.07042	2.0
65.03927	2.0
67.05495	35.9
69.03418	16.9
69.07054	18.1
71.04964	7.4
79.05466	24.8
81.07038	100.0
83.04939	2.4
83.08603	7.6
85.29091	1.5
91.05444	21.8
92.09229	3.9
93.07024	58.7
95.04956	3.4
95.08582	46.9
97.06500	18.4
105.07014	75.6
107.07867	3.2
107.08575	76.4
109.06510	3.7
109.10143	56.4
111.08063	8.0
117.06983	12.7
119.08551	61.6
121.10120	28.1
123.08031	6.7
123.11644	2.5
125.09615	22.3
130.07741	8.4
131.08545	22.5
133.10094	21.5
135.11656	34.7
143.08565	3.5
144.09352	6.1
145.08974	3.5
145.10098	74.7
147.11688	9.2
149.13235	2.7
157.10107	2.1
158.10872	1.9
159.11665	43.2
161.13242	26.3
163.11165	2.5
173.13226	20.8
175.14771	2.2
191.17891	3.9
199.13315	2.0
201.16333	44.8
219.17413	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
53.03937	1.8
55.01871	1.6
55.05506	18.9
57.03432	2.2
57.07068	2.2
67.05500	29.4
69.03420	11.9
69.07062	17.2
71.04973	7.0
79.05477	36.6
81.07038	100.0
83.04964	6.9
83.08612	3.1
91.05451	22.5
91.12724	1.6
92.09251	4.6
93.07021	49.4
95.04955	18.6
95.08584	47.2
97.06512	14.9
97.10158	2.7
100.40649	1.5
105.07015	58.1
107.08588	49.8
109.06490	7.8
109.10139	30.2
111.08086	10.4
117.06959	12.0
119.08563	47.8
121.06497	2.0
121.10120	32.1
123.08038	9.8
123.11683	11.1
125.09592	2.4
129.06975	3.0
130.07758	2.1
131.08553	22.0
133.10088	22.7
135.08099	1.5
135.11641	11.7
137.09595	2.0
144.09309	6.3
145.10115	53.3
147.11684	11.7
149.09576	2.0
149.13269	7.5
157.10121	2.6
159.11653	39.5
161.13225	32.7
163.11150	5.7
163.14844	2.4
173.13309	12.6
175.14804	7.3
177.12825	1.8
191.17941	2.9
201.16364	35.0
219.17401	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03931	1.7
54.82199	1.4
55.05507	14.4
67.05492	19.8
69.03396	1.4
69.07048	9.2
71.04969	7.4
79.05469	22.9
81.07037	49.3
83.04967	2.4
83.17453	1.4
91.05466	26.9
92.09260	3.4
93.07024	34.4
95.04945	1.8
95.08584	27.4
97.06498	7.7
98.97543	1.8
105.07012	100.0
107.08594	30.5
109.06493	1.9
109.10151	13.4
117.07002	10.6
119.08557	42.0
121.10123	21.3
123.08052	6.1
123.11671	2.5
125.09604	6.6
129.06976	2.3
131.08517	21.2
133.10103	57.1
135.08069	2.8
135.11679	9.7
144.09346	2.9
145.10098	51.3
147.11676	12.0
149.09636	3.1
149.13329	2.1
157.10170	2.3
159.11667	29.5
161.13226	28.6
163.11116	3.2
173.13210	14.0
174.06747	2.3
175.14774	2.0
191.17975	1.9
201.16348	41.4
219.13956	2.0
219.17390	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99842	0.6
69.28934	0.3
69.87822	0.3
75.37947	0.3
77.00895	0.5
82.99821	0.7
85.01391	2.2
88.41677	0.3
92.08929	1.3
100.04426	0.3
101.00858	19.8
103.02422	13.1
111.04408	0.6
113.00849	1.1
119.01894	100.0
120.01999	0.6
121.03455	8.1
127.02358	1.6
131.01880	11.0
132.99829	0.3
137.02930	31.5
138.96394	1.4
140.97787	0.4
144.02719	0.5
144.05038	0.5
145.03438	45.7
147.01352	6.5
149.02953	4.2
149.99727	0.3
156.97449	13.4
163.04483	29.9
165.02458	0.3
167.03011	0.5
168.05003	0.5
170.03041	0.4
170.99069	0.5
171.01369	3.5
173.02956	1.3
174.98500	15.6
175.00810	0.5
189.00021	0.6
189.02399	15.2
189.04095	0.6
191.03981	2.8
193.01968	2.2
198.98553	3.4
199.00775	0.4
207.03471	7.6
212.68394	0.3
216.96341	0.4
216.99562	8.9
217.01862	3.2
232.37379	0.3
235.02911	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.2
55.01858	4.8
55.05506	45.0
56.24420	0.9
57.03418	2.4
57.07066	8.2
59.04979	7.1
67.05205	1.0
67.05496	20.0
69.03377	1.2
69.07055	100.0
71.04989	13.2
73.06544	1.1
76.35386	0.9
79.05484	9.5
81.07040	45.1
83.04967	9.0
83.08605	14.2
85.06535	23.0
86.38800	1.2
88.07606	2.4
91.05451	6.4
92.08737	3.2
93.06482	1.8
93.07022	30.9
93.98766	0.9
95.08588	65.9
95.09202	2.3
97.06499	6.1
97.10146	13.5
98.97560	1.1
99.08080	19.0
105.06998	6.5
107.07873	1.5
107.08587	36.7
109.06464	1.2
109.10152	19.5
111.08070	5.4
111.11682	7.3
113.09644	8.7
119.08599	1.9
121.10128	41.8
123.11731	7.1
125.09589	6.1
131.08585	1.7
133.10175	1.2
135.11671	27.3
137.13245	16.7
139.11180	7.6
149.13231	5.5
151.14772	2.1
153.12704	7.2
159.11659	2.1
161.84677	1.0
163.79105	1.1
177.12927	1.1
177.14886	1.8
177.16357	40.8
195.17383	9.0
213.09108	1.1
213.18457	4.7
224.30602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1641
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
53.03946	1.2
55.01860	2.0
55.05506	27.9
57.03422	4.9
57.07054	1.4
67.05146	1.2
67.05492	32.1
69.03378	1.1
69.07055	25.2
71.04974	8.6
79.05473	18.4
81.07039	75.4
83.04951	4.3
83.08602	16.6
85.06522	11.5
91.05460	20.6
92.08770	1.0
93.07028	24.3
95.04957	1.4
95.08585	100.0
97.06517	16.4
97.10131	5.6
99.08067	5.9
105.07020	26.1
107.08582	12.4
108.13358	1.0
109.06490	1.7
109.10124	8.5
111.08062	1.3
119.08548	36.3
121.10136	8.3
123.08040	6.2
123.08829	1.1
133.10094	23.8
135.11668	14.2
137.09552	3.9
137.13251	11.2
141.09038	1.0
161.13239	49.6
179.14282	24.3
179.70747	1.1
194.56816	1.1
197.15381	2.2
215.16382	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1848
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
52.04083	1.0
52.83574	1.2
53.03939	1.2
55.01850	2.6
55.05501	23.8
56.45855	1.0
57.07056	2.8
62.83229	1.1
64.70600	1.0
67.05490	8.6
69.03396	5.1
69.06670	1.2
69.07050	31.3
71.04961	5.9
79.05466	8.0
81.07037	29.0
83.08604	17.6
85.06519	6.5
91.05450	7.5
92.08842	2.0
93.07022	31.2
94.81510	1.1
95.08583	59.0
95.09203	1.9
97.10129	14.1
99.08081	21.7
105.07022	6.2
107.08574	58.5
109.10140	17.0
111.08056	16.4
111.11723	1.2
113.09622	5.4
119.08536	1.3
121.10121	100.0
123.11648	1.8
125.09616	8.6
135.11665	19.1
135.46895	1.1
137.13211	11.9
149.13225	7.0
177.16345	93.8
195.17392	13.1
213.18364	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03935	2.9
54.81619	0.7
55.01860	5.8
55.05503	13.1
57.03431	1.4
57.07051	3.0
65.03919	2.7
67.05490	61.4
69.03423	0.9
69.07052	14.1
71.04974	48.3
73.02880	0.6
79.05473	46.6
80.50759	0.7
81.07037	100.0
83.04986	4.8
83.05381	0.7
83.08593	8.1
85.06528	25.6
87.04429	1.3
88.07611	5.6
91.05460	29.5
92.08664	2.0
92.09279	4.4
93.07021	92.5
94.44827	0.7
95.04952	5.8
95.08582	58.8
95.77944	0.6
97.06512	18.1
99.08071	5.1
101.26508	0.6
105.04488	1.0
105.07018	15.4
107.04895	2.4
107.07861	1.2
107.08575	31.7
107.12076	0.6
109.06487	4.4
109.10139	2.6
111.08069	6.9
113.05981	1.0
117.07001	18.6
119.08543	4.3
121.06475	6.6
121.10122	7.5
123.08015	1.3
123.11665	0.8
129.06934	1.4
131.08542	26.1
133.10101	19.4
135.08017	9.4
135.11667	50.9
138.45586	0.6
139.07487	0.7
144.09317	1.0
147.11624	1.4
149.09550	2.3
149.13235	14.1
151.25574	0.7
153.09103	1.2
157.10123	1.3
159.11661	29.5
169.13078	0.7
177.12708	20.4
195.13751	8.8
213.14659	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03918	1.6
55.01854	3.9
55.05503	24.6
56.96554	0.8
57.03426	8.7
57.07065	1.6
63.63643	0.8
67.05492	71.0
69.07054	26.9
71.04974	7.3
79.05472	41.9
80.30847	0.8
81.03402	1.3
81.07039	100.0
83.04962	5.7
83.08604	16.6
85.06516	1.9
88.07603	6.8
91.04894	1.1
91.05458	25.9
92.09103	2.0
93.07026	56.3
95.04957	7.6
95.08575	23.6
97.06525	8.4
105.07000	8.2
106.98515	0.9
107.04940	1.1
107.08566	26.9
109.06482	1.7
109.10135	1.8
109.52482	1.0
110.41601	1.0
111.08057	4.4
117.07002	9.0
119.08582	1.3
121.10127	8.2
123.11645	3.7
131.08540	14.6
133.10106	13.8
135.11662	12.3
143.08548	1.5
149.13248	20.1
151.11086	1.1
157.10100	1.4
159.11629	10.2
165.19922	1.0
167.14403	1.2
171.11688	1.3
177.12691	5.0
195.13803	8.6
213.12822	1.0
213.16293	1.8
232.67935	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.00286	0.8
53.03924	2.1
55.01860	5.0
55.05507	14.7
55.48781	0.8
57.03420	2.2
57.07058	3.5
59.94934	0.8
65.03907	0.9
67.05491	66.9
69.06769	0.8
69.07062	14.2
71.04977	50.6
74.64550	0.7
79.05471	49.2
81.07037	100.0
83.04971	6.6
83.08607	8.0
85.02872	1.7
85.06529	28.7
88.07620	8.8
91.05460	31.4
92.08989	8.3
93.07023	91.6
95.04943	7.3
95.08585	56.0
95.09196	2.0
97.06509	17.3
99.08067	5.2
105.07008	15.6
107.04948	1.3
107.08578	36.8
109.06503	4.5
109.10137	1.6
111.08104	7.2
113.05923	1.3
117.06998	19.5
119.08559	3.7
121.06490	5.5
121.10136	4.9
123.07999	1.4
125.09630	1.0
130.11217	1.0
131.08548	30.2
133.06442	1.0
133.10103	21.5
135.08031	9.5
135.11670	50.5
147.11662	1.3
149.09541	2.1
149.13232	16.1
151.11150	1.4
157.10045	1.0
159.11661	30.6
177.12715	24.2
195.13808	11.5
213.12766	1.0
213.14626	1.6
213.16492	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
55.01865	17.4
55.05502	97.6
57.07046	2.5
59.04977	2.8
66.93695	1.3
67.05193	1.8
67.05488	32.1
69.03397	9.7
69.07052	17.5
71.04614	2.8
71.04975	65.0
74.59235	1.4
75.18520	1.7
78.74274	1.3
79.05476	21.4
81.07037	37.3
83.04942	5.8
83.08108	2.5
83.08596	59.2
85.06514	5.9
87.04435	8.2
88.07613	3.5
91.05434	9.9
92.08787	2.3
92.09341	1.8
93.07021	25.1
95.08587	15.4
97.05890	2.7
97.06505	80.0
97.10146	67.7
99.04445	1.7
104.77901	1.5
105.07022	2.4
107.08565	24.2
109.10108	15.8
111.08051	3.2
114.79966	1.6
117.06979	2.4
119.08460	1.6
121.10130	3.0
125.09598	34.7
131.08492	2.9
133.10066	2.9
133.56984	1.7
135.07986	5.9
135.11636	2.4
146.37672	1.5
159.11589	3.0
161.05019	1.8
177.09134	1.7
177.12674	6.1
186.14702	1.8
189.11224	2.7
195.13748	32.0
213.14790	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
50.01584	1.4
50.52166	1.5
52.56126	1.3
53.03940	2.6
53.84415	1.6
54.80904	1.4
55.01858	1.8
55.05507	29.8
55.85942	1.4
57.03417	8.7
57.07059	6.5
59.22703	1.7
67.05142	3.2
67.05492	71.5
69.07054	21.2
70.06586	6.6
71.04967	3.5
79.05047	2.8
79.05470	38.1
81.07040	100.0
83.04966	8.0
83.08598	18.8
85.06528	6.5
88.07610	57.2
88.62627	1.5
91.05467	24.7
92.08826	6.8
93.07027	55.1
95.04935	8.3
95.08580	25.4
97.06495	7.5
105.07026	9.6
107.08595	29.3
109.06496	2.1
109.10127	2.9
111.08068	2.1
114.05495	3.5
117.06978	9.0
118.34340	1.6
119.08609	3.0
121.10132	11.1
122.89933	1.9
123.11707	2.6
131.08498	10.4
133.10147	15.2
135.11673	8.9
149.13269	19.1
157.10118	2.0
159.11679	9.6
176.28348	2.0
177.12732	3.0
195.13763	7.8
213.16014	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03927	2.4
53.97937	1.1
55.05264	1.8
55.05508	30.3
57.03420	6.6
57.05993	1.0
57.07072	14.3
59.05408	1.1
63.84718	1.2
67.05496	23.3
67.32605	1.0
69.07056	9.9
70.06580	2.0
71.04982	1.1
71.08620	1.2
79.05483	12.5
81.07043	27.7
83.04965	14.3
83.08595	5.1
85.06534	5.2
88.07614	28.2
91.05470	11.0
92.09145	2.9
93.07027	25.9
95.04968	2.7
95.08598	17.9
97.06522	10.2
99.83401	1.2
105.07017	5.4
107.08573	29.7
109.06503	8.9
109.10149	2.5
111.04427	100.0
111.08064	6.3
114.05523	1.6
117.06982	2.6
119.08607	2.0
120.09328	1.5
121.06493	1.9
121.10107	2.9
125.05131	1.8
125.05975	28.7
127.07502	4.5
130.07782	1.9
131.08527	1.8
133.10132	1.5
134.08266	1.4
135.08041	18.2
135.11676	20.2
139.07613	1.4
145.10089	14.6
147.83374	1.2
149.13235	7.2
153.12701	2.1
163.11145	16.7
181.12195	38.9
195.13792	8.2
213.16051	5.7
213.41917	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03934	1.4
55.01859	3.1
55.05507	14.6
57.03421	2.1
57.07064	2.2
62.09266	1.0
67.05491	52.3
69.07057	16.3
71.04973	47.5
71.05251	1.1
79.05473	47.8
81.07037	100.0
83.04948	6.3
83.08597	5.9
85.06522	23.7
88.07554	1.7
91.05465	30.9
91.61912	1.2
92.09194	7.3
93.07018	87.7
94.67752	1.2
95.04943	7.1
95.08583	51.6
97.06505	14.1
99.08097	4.1
105.07003	13.3
107.04172	1.2
107.04871	1.5
107.08578	34.3
109.06483	2.9
109.10149	2.4
111.08056	8.5
113.05981	1.5
117.06998	17.5
119.08587	2.8
121.06480	5.4
121.10108	7.9
123.08066	2.0
131.08548	22.6
133.10107	17.4
135.08034	8.1
135.11662	42.6
149.09587	2.9
149.13246	14.5
159.11661	27.3
167.07091	1.4
177.12732	18.3
177.16399	1.6
195.13792	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03931	2.2
55.01863	4.6
55.05502	33.4
56.66397	2.0
57.03428	48.9
57.07061	3.4
67.05489	100.0
67.05846	3.9
69.03415	2.0
69.07047	32.9
70.06567	2.4
71.01331	8.8
71.04964	4.5
79.05470	81.8
80.10889	1.6
81.03419	14.1
81.07030	42.1
83.04963	28.1
83.08611	9.7
85.06544	4.1
88.07605	31.3
90.90314	1.9
91.05462	34.8
92.09029	10.0
93.07018	94.9
95.04939	8.1
95.08578	12.4
97.06490	23.6
97.10149	12.3
105.06983	8.7
107.08580	56.2
109.10142	7.3
117.06985	4.6
119.08553	13.0
121.06464	2.2
121.10116	21.8
129.97948	2.9
133.10103	4.6
135.10651	3.7
135.11664	95.0
137.09677	2.8
145.10106	14.6
149.94041	8.2
163.11151	10.4
181.12141	18.1
213.16025	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.01867	4.7
55.05498	32.2
57.03424	37.7
57.07065	3.5
57.63734	2.4
58.25042	2.5
67.05490	96.3
69.07051	35.8
70.06563	3.4
71.01314	9.1
71.04968	5.9
79.05469	79.6
81.03393	13.1
81.07030	49.9
83.04977	29.9
83.08597	12.4
85.06544	3.7
88.07615	38.4
88.85999	2.4
88.86697	2.3
91.05453	36.5
92.08668	2.5
92.09161	8.6
93.07020	100.0
93.07565	5.2
95.04951	11.4
95.08585	10.8
97.06509	27.5
97.10152	9.8
98.57789	2.4
105.07007	12.9
107.04827	2.2
107.08570	61.1
107.09287	3.4
109.10125	4.7
114.05477	4.2
117.07007	5.5
119.08566	15.5
121.06540	2.8
121.10110	15.7
131.08142	2.5
133.10130	3.9
135.11673	86.4
137.09639	3.2
141.16219	2.7
142.62321	2.3
145.10100	17.2
157.10138	2.7
163.11171	13.8
181.12244	14.2
193.52008	2.4
213.16138	12.8
232.44847	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03932	2.1
54.81663	2.2
55.01858	2.9
55.05500	19.6
56.96561	2.3
57.07055	3.5
60.99337	1.9
67.05487	63.5
69.07050	11.9
71.04973	100.0
79.05470	39.1
81.07037	74.1
83.04951	4.8
83.08615	11.4
85.06524	41.7
87.04460	2.2
88.07616	4.4
91.05466	31.5
92.08845	10.3
93.07019	84.9
95.04957	5.3
95.08582	33.4
97.06506	23.4
98.97556	3.5
99.08012	2.9
102.18488	2.2
105.06989	16.1
107.04935	4.4
107.08580	35.2
109.06480	3.5
109.10141	3.3
111.08067	12.6
116.98634	2.3
117.06980	19.2
119.08514	2.8
121.06429	2.3
121.10124	9.1
125.09620	3.7
131.08545	28.0
133.10112	26.0
135.08054	12.6
135.11681	41.7
137.09578	4.1
139.52197	2.1
147.11603	2.1
149.09648	2.6
149.13242	16.5
159.11662	42.7
162.19345	2.3
165.12697	3.3
177.12726	41.1
182.75928	2.1
195.13779	22.0
213.14848	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	213.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
54.81937	0.6
55.01849	0.8
55.05494	0.5
56.96540	0.7
65.03929	2.0
65.92332	0.4
67.05505	0.5
68.51726	0.5
69.03393	1.1
69.07047	0.9
79.05479	1.0
81.07026	1.9
81.82723	0.5
83.08624	0.5
88.07611	2.8
91.05462	100.0
92.08763	2.0
92.09377	1.0
93.07027	0.9
95.04935	5.1
95.08582	2.1
98.97571	0.7
105.03382	8.0
106.83121	0.5
107.04931	10.0
107.08585	3.2
114.05490	0.5
119.04920	65.5
120.05690	11.4
121.02867	2.1
121.10149	3.1
123.08038	0.7
126.26048	0.5
133.03436	0.7
144.05670	1.0
149.09604	0.8
152.06190	6.9
157.06480	0.7
165.06970	9.4
166.07799	2.8
167.08530	9.1
168.13786	0.5
169.06464	0.9
176.06189	3.6
177.06964	5.9
194.07318	0.9
195.08067	4.9
195.09828	0.7
198.06645	0.8
213.09102	15.6
213.11078	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0909
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
53.03945	0.8
56.52428	0.6
56.96558	0.5
57.79486	0.5
61.46264	0.5
65.03928	1.3
69.03407	0.6
69.07059	0.9
69.11747	0.5
79.05500	0.5
81.07056	0.9
83.08592	0.7
88.07623	1.0
91.05459	100.0
92.08663	0.6
92.09145	1.4
93.07019	0.7
95.04940	4.6
95.08581	0.7
105.03378	3.0
107.04940	10.4
107.08556	0.6
119.04919	71.4
120.05712	11.2
121.02806	2.1
144.05666	0.8
152.06190	9.0
157.06491	1.4
164.49141	0.6
165.06990	8.3
166.07805	2.9
167.07170	1.0
167.08501	9.3
167.16824	0.6
169.06439	0.7
170.07333	0.9
176.06183	4.2
177.06978	6.7
185.09558	0.9
194.07188	1.3
195.07999	5.4
198.06735	1.2
213.09081	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	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03923	0.6
53.17340	0.5
53.79125	0.6
55.01852	1.1
55.05500	16.4
55.17945	0.5
57.03429	0.7
57.07057	4.9
59.04971	2.2
67.05491	35.4
69.03062	0.9
69.03414	13.8
69.07055	17.5
69.98893	0.5
71.04982	5.0
71.08604	0.9
79.05466	8.2
81.07039	35.2
83.04965	11.0
83.08610	11.4
85.06516	4.4
91.05463	6.2
92.09084	2.9
93.07024	17.5
95.04937	3.6
95.08583	44.2
97.06519	1.3
97.10145	3.2
99.08063	4.0
104.26225	0.6
105.07007	12.1
107.08572	30.0
109.06509	12.5
109.10140	100.0
111.08069	5.6
113.09663	0.8
117.07001	1.4
119.08549	24.5
121.10112	17.0
123.04429	0.9
123.08044	15.8
123.11678	11.3
125.09597	3.5
125.39173	0.6
133.10107	22.4
135.11667	57.1
137.09599	14.8
139.10181	0.7
139.11145	3.8
144.73640	0.7
147.11690	1.5
149.13213	4.0
151.11168	10.9
151.14778	8.1
153.12706	1.2
163.14822	0.8
163.53728	0.6
165.12723	0.7
165.16321	0.9
167.07008	2.6
175.14787	19.7
179.07112	2.1
185.07686	0.6
193.15851	14.2
211.16911	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	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
51.88867	1.0
53.94767	0.9
54.81134	1.7
55.01869	1.8
55.05507	24.1
56.05822	1.3
56.14648	1.2
57.07076	2.9
58.73972	1.1
59.04982	2.0
67.05492	35.5
67.07908	1.4
69.03416	15.6
69.07053	17.9
71.04978	8.9
72.61865	1.1
79.05468	8.6
81.03414	3.0
81.07041	46.0
81.07478	2.5
83.04966	16.2
83.08589	12.5
85.06530	6.1
91.05463	10.7
92.09034	2.2
93.07023	19.7
95.04944	8.5
95.08589	40.2
97.06521	3.0
97.10133	2.4
99.08084	5.5
105.03410	1.6
105.07017	13.2
107.08571	28.8
109.06506	15.7
109.10139	100.0
109.31186	1.5
111.08067	5.6
119.08583	23.9
121.10131	7.2
123.08049	13.3
123.11702	10.5
125.09612	6.3
131.08481	1.3
133.10123	25.1
135.11678	49.5
137.05977	2.2
137.09595	17.2
139.11171	1.8
147.11714	2.5
149.13263	6.5
151.11182	15.0
151.14844	11.0
153.12743	2.6
167.06996	6.2
175.14799	15.1
183.26137	1.3
193.15846	18.3
204.64973	1.3
211.13214	2.0
211.16956	6.9
231.62973	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
55.05501	14.1
57.07062	5.3
58.35313	1.1
59.04988	1.9
61.09678	1.5
64.33642	1.2
66.32522	1.1
67.05141	1.8
67.05489	36.3
69.03410	11.5
69.07047	15.6
71.04964	3.3
77.07318	1.4
79.05455	6.8
79.66956	1.5
81.07036	35.7
83.04955	11.5
83.08613	9.7
85.06519	2.0
91.05453	6.8
92.09152	5.2
93.07014	14.0
95.04954	1.7
95.08576	42.2
97.10156	1.6
99.08057	1.9
105.07010	8.0
107.08581	28.0
109.06506	14.2
109.10136	100.0
111.08051	2.1
119.08562	20.4
121.10130	9.9
123.08038	13.2
123.11665	9.8
127.59177	1.4
130.09320	1.5
133.10110	18.5
135.11665	51.9
137.09581	15.6
139.11040	1.4
139.25339	1.3
147.11633	1.8
149.13258	2.7
151.11165	12.7
151.14798	9.6
156.13657	1.6
165.16396	2.1
175.14784	14.4
193.15790	14.8
193.84206	1.4
211.16805	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03943	1.7
55.01859	3.1
55.05506	24.5
56.46287	1.6
57.03434	4.1
57.07061	7.1
59.04961	2.5
66.27460	1.6
67.05496	38.4
69.03416	3.5
69.07050	20.1
71.04976	10.2
72.50269	1.7
73.01366	1.9
79.05458	9.7
80.10675	1.5
80.89027	1.7
81.03425	4.5
81.07035	34.4
83.04959	12.1
83.08591	12.0
85.06525	7.1
91.05473	8.9
92.09023	4.1
93.07023	27.3
95.04938	8.4
95.08588	54.8
97.06529	8.2
97.10159	2.7
105.03351	2.3
105.07001	20.4
107.08575	31.1
109.06506	16.0
109.10146	100.0
111.08065	44.4
119.08559	35.6
121.10114	26.2
123.08044	50.1
123.11665	12.8
125.09587	3.6
133.10100	34.2
135.11670	41.3
137.09593	76.4
137.13255	4.1
138.10347	17.1
139.11122	2.3
145.48090	1.9
147.11690	8.6
149.13251	11.9
151.11208	3.4
151.14825	7.9
153.02666	1.9
162.55322	2.3
163.11240	2.5
165.12759	10.9
167.07021	12.2
167.38658	2.4
175.14758	39.5
178.13417	2.4
187.78069	1.7
188.95557	2.0
193.12190	3.2
193.15834	23.3
211.16916	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	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03933	3.8
55.01864	12.3
55.05507	67.8
57.03431	17.3
67.05493	42.8
68.40617	1.7
69.03416	12.2
69.07058	13.3
71.04980	4.0
71.66180	1.9
72.03927	2.3
79.05476	47.6
81.03404	100.0
81.07039	45.0
83.04971	78.4
83.08607	25.5
85.02905	2.6
85.06545	3.3
91.05463	49.8
92.08979	10.0
93.07034	25.2
95.04944	38.4
95.08580	20.6
97.06522	3.4
97.10148	8.3
105.07030	31.3
107.04942	7.2
107.08613	9.9
109.06518	7.9
109.10152	2.6
111.08054	3.5
117.07013	2.0
119.08547	18.9
121.06492	3.5
121.10124	7.3
123.08020	3.3
129.06985	13.3
131.08562	12.2
132.78238	2.2
133.06454	2.9
133.10115	11.0
142.07744	3.7
146.14471	2.3
147.11700	12.1
149.09599	9.7
157.10060	13.8
158.22903	1.9
165.12726	2.1
167.07069	3.7
175.11148	15.1
193.12218	41.3
211.13274	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	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.84376	1.8
53.03931	2.7
55.01862	5.3
55.05502	68.9
55.39956	2.3
57.03429	13.7
66.86807	2.5
67.05491	38.2
69.03409	12.6
69.07051	12.2
71.04980	5.7
79.05479	45.5
81.03398	100.0
81.07035	50.6
81.07482	3.6
83.04964	75.9
83.08607	33.7
91.05462	43.7
92.08680	4.8
92.09266	5.8
93.07028	19.0
95.04951	37.8
95.08573	18.9
97.02879	2.8
97.10143	8.5
105.07018	37.8
107.04958	3.1
107.08585	10.6
109.06493	2.9
111.08077	13.3
119.08556	20.6
121.06461	2.8
121.10154	9.1
123.08102	3.9
129.06987	15.7
131.08563	11.7
133.06461	2.9
133.10115	15.7
138.50528	2.4
142.07712	2.9
147.11671	12.1
149.09616	9.5
157.10132	13.5
158.56090	2.5
175.11157	15.6
193.12189	45.6
211.13243	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	211.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84756	0.3
53.03935	0.7
53.71579	0.3
55.01863	0.3
55.41165	0.4
56.73551	0.3
56.96537	0.6
57.03442	0.4
57.99996	0.4
62.40285	0.4
69.03405	0.5
78.04691	4.6
79.05441	2.1
85.02872	0.4
86.67434	0.4
91.05459	8.3
92.08891	0.9
93.07008	7.3
95.04958	4.3
98.97577	0.6
100.03535	0.4
102.64301	0.4
103.05434	9.0
105.04503	0.5
105.06993	2.5
106.04144	3.1
107.04923	1.9
109.02859	0.6
109.06491	0.5
119.04900	0.8
121.02814	0.6
121.06470	12.5
122.03588	0.5
123.04388	11.1
124.05191	3.8
131.06044	0.5
133.06462	3.3
134.03590	0.7
137.05927	4.9
149.05946	15.6
151.03856	4.3
152.04660	3.1
161.05908	1.5
165.05453	1.9
166.06218	5.0
167.06990	100.0
174.52008	0.4
180.07759	1.0
181.08542	10.2
211.09523	2.9
221.82700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.37876	2.1
53.03931	4.9
55.01852	9.3
55.05262	3.9
55.05503	63.9
56.96551	5.2
57.03421	15.8
67.05492	40.8
68.33256	2.4
69.03399	10.2
69.07047	12.9
76.56316	2.7
77.92368	2.4
79.05467	43.7
81.03400	100.0
81.07035	52.9
83.04962	72.5
83.08598	28.5
87.31490	2.2
91.05458	48.7
92.09088	5.5
93.07027	20.8
95.04942	28.4
95.08604	19.0
96.01003	2.5
97.06520	3.4
97.10139	10.1
100.01773	2.4
105.07005	27.4
107.04946	10.1
107.08572	15.1
109.06497	5.8
109.10139	5.5
111.08086	10.0
119.08537	26.3
121.10107	12.7
123.08063	4.3
129.06995	10.9
131.08516	13.8
133.06403	2.6
133.10110	10.3
137.05902	3.5
145.10123	3.6
147.11629	19.7
149.09604	3.8
157.10094	12.3
165.12665	2.9
167.06985	16.8
175.11171	11.1
193.12184	36.3
211.11600	2.3
211.13242	21.1
225.95860	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	210.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99783	22.6
69.03391	14.6
92.09149	30.9
92.63890	14.6
97.02852	20.2
111.00754	22.8
121.02916	14.2
129.01801	100.0
139.00203	62.7
139.03975	19.1
149.80733	14.5
157.01326	34.0
234.07962	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01857	1.0
56.96546	0.6
65.58899	0.4
77.03899	0.6
78.04691	4.3
78.16428	0.5
79.05463	3.4
81.07051	0.5
81.82856	0.4
91.04887	0.5
91.05458	12.4
92.08770	0.8
92.09250	0.6
93.07019	12.5
95.04952	5.7
97.02891	0.5
103.05444	13.7
104.86871	0.5
105.03362	0.6
105.04489	0.9
105.07006	4.0
106.04128	4.1
107.04970	1.4
115.05451	0.7
119.04893	0.9
121.02846	1.0
121.06477	21.1
122.03619	0.9
123.04401	14.0
124.05215	4.1
131.06055	0.6
133.06497	3.7
133.79642	0.5
134.03590	0.6
137.05942	7.1
149.05959	23.0
151.03850	4.3
152.04672	2.9
161.05951	2.2
165.05417	2.5
166.06227	9.9
167.06996	100.0
180.07776	3.1
181.08557	21.6
193.08575	0.6
202.98160	0.6
211.09685	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	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	0.5
53.03944	1.3
54.28588	0.5
55.01857	2.8
55.05499	4.0
56.96547	0.7
57.03422	3.0
57.07085	0.8
61.02906	0.8
67.05482	8.3
69.03407	10.6
69.07040	1.1
71.01305	0.9
71.04958	2.5
73.02884	0.7
78.04688	4.9
79.05473	8.1
81.03395	3.8
81.07037	5.2
83.04950	4.9
84.08113	3.5
85.02879	4.3
85.06525	3.0
86.09669	0.9
90.76265	0.5
90.92772	0.5
91.05457	10.7
92.08878	3.1
92.58065	0.6
93.07023	7.6
94.04202	0.6
95.04939	7.1
95.08588	3.4
97.02850	6.6
97.06506	1.6
98.97543	0.8
103.05463	1.1
105.06992	6.7
105.57477	0.6
106.04154	3.5
107.04935	4.4
107.08592	0.6
109.02850	1.3
109.06509	4.0
111.04435	3.8
115.03904	1.3
115.05370	1.1
116.98526	1.0
117.06999	1.4
119.01921	2.7
119.04892	0.9
119.08539	4.1
121.06488	8.0
123.04401	16.6
123.08050	3.0
124.05204	4.3
125.05998	0.9
130.08653	1.2
131.01909	0.8
133.06468	1.4
135.08051	0.9
137.02324	3.5
137.05984	4.9
139.58893	0.7
147.04419	1.5
147.08026	2.3
149.05983	1.6
151.03877	2.7
151.07552	1.4
152.04646	2.6
158.30177	0.7
161.02910	1.5
167.06999	100.0
179.03476	0.7
181.08501	0.8
193.08545	1.2
211.09511	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	209.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.0
57.07070	12.3
67.05498	12.8
67.05796	1.6
69.03413	83.0
69.07056	9.4
79.05474	9.3
81.07038	17.5
83.04974	21.2
85.06541	6.9
91.05451	12.4
92.08995	6.3
93.07024	12.2
95.04939	1.7
95.08582	22.9
97.06509	8.0
103.60821	1.2
105.07003	12.5
105.89066	1.3
107.08571	42.5
109.06498	17.9
109.10132	8.7
111.08079	8.3
119.08534	10.8
121.06500	6.2
121.10103	20.8
123.08053	8.7
123.11696	6.2
125.09604	62.1
131.08568	18.9
133.10121	13.7
135.08029	26.0
135.11670	8.1
137.09569	2.4
143.08531	6.3
144.09373	2.2
145.10129	7.7
147.11708	6.7
147.86168	1.5
149.09599	19.1
149.13260	7.4
150.10400	2.0
151.11148	3.0
153.09085	12.1
158.10858	12.4
161.09598	2.1
163.11099	5.4
163.14804	5.5
165.12772	7.6
173.13229	28.4
176.12018	3.3
187.34750	1.3
191.12517	3.2
191.14270	100.0
199.90804	1.3
209.15329	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
52.56605	1.9
55.05506	100.0
57.07059	2.6
59.04959	3.0
67.05482	14.0
67.15292	1.8
67.63840	2.2
69.03410	7.4
69.07050	3.8
71.04951	2.5
75.08287	1.7
76.54995	1.8
79.05457	4.9
81.07034	16.3
83.04962	62.6
83.08607	37.3
84.33416	2.1
84.82143	1.9
91.05452	4.7
92.08794	5.2
93.07014	11.7
95.04932	8.7
95.08578	8.0
97.06503	10.0
97.10159	4.1
105.06998	4.4
107.08556	25.9
109.06509	14.2
109.09465	1.9
109.10131	17.8
111.08055	13.4
119.08598	3.2
121.10146	14.8
123.11691	9.5
125.09605	9.1
133.10118	13.0
137.09592	2.5
149.13235	8.6
151.11172	35.6
165.12688	4.3
167.14299	41.1
173.13264	3.0
191.14330	2.6
209.15366	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.07089	1.1
53.75339	1.2
55.05501	7.5
55.70023	1.2
57.07061	1.5
65.03934	1.5
67.05498	6.1
69.03409	8.7
69.07047	3.1
79.05479	14.3
81.07034	22.8
83.08625	2.7
84.48627	1.2
91.05442	17.9
91.73209	1.4
93.07016	6.7
93.79732	1.7
95.04927	4.6
95.08557	3.3
105.07005	17.1
107.04943	2.0
107.08575	32.5
109.06508	28.7
109.10147	17.2
115.05441	8.4
117.07002	8.1
119.08569	7.8
121.06491	2.9
121.10123	27.5
122.07268	16.1
123.08042	2.9
125.97340	1.6
131.08598	4.7
133.10106	100.0
135.08035	33.4
137.09595	86.2
144.45367	1.8
147.11697	1.9
149.13235	18.3
151.11179	2.0
173.13280	4.9
191.14305	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	209.1535
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
51.73339	0.9
55.01846	1.4
55.05505	100.0
57.03405	1.4
57.07057	1.9
59.04966	2.2
67.05492	9.6
69.03401	7.2
69.07047	10.9
71.04966	2.2
72.45515	1.2
77.50308	1.1
79.05461	8.3
81.07033	13.0
83.04963	50.6
83.08605	39.4
85.06538	2.8
91.05461	10.2
92.08604	1.5
92.09161	6.1
93.07027	35.2
94.18324	1.3
95.04956	18.8
95.08591	9.7
97.06501	5.9
97.10159	8.4
105.07005	6.3
106.04158	2.8
107.08578	30.9
109.06501	6.9
109.10140	24.9
111.08037	12.0
119.08556	2.4
121.06464	2.0
121.10118	75.9
123.11665	9.1
125.09599	7.5
131.08556	1.6
133.10106	7.9
135.11664	2.6
145.49663	1.3
149.05930	2.1
149.13219	7.8
151.11171	29.1
153.09088	2.5
163.14767	8.2
164.39095	1.5
167.14275	44.4
173.13229	1.4
180.81065	1.3
191.14311	5.9
209.15309	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.72056	3.2
53.03944	3.5
55.01849	5.3
55.05494	34.6
57.03418	8.4
57.07047	9.4
59.04987	8.8
61.94965	3.9
65.75800	3.8
67.05490	25.8
67.60854	3.9
69.03409	8.9
69.07047	31.3
71.04977	19.3
79.05472	28.3
81.07030	65.1
81.16291	3.5
83.04971	33.4
83.05388	3.6
83.08596	7.8
85.06525	21.4
91.05459	30.2
92.08790	11.1
92.09282	6.8
93.07017	80.4
93.07568	5.6
95.04950	32.3
95.08583	51.1
97.06519	8.6
99.08076	19.3
105.07014	50.6
107.04942	8.5
107.08584	97.2
109.06480	32.1
109.10124	39.5
111.08086	19.1
116.01841	4.1
119.08546	16.9
121.06478	32.5
121.10123	81.8
122.20318	3.9
123.08070	33.5
123.34772	4.6
125.09599	16.2
125.76614	4.2
129.32079	3.7
131.08525	38.4
133.10101	57.6
135.08029	36.6
135.11662	4.7
137.09598	7.1
145.10141	9.8
146.45308	4.2
147.11726	5.9
149.09604	100.0
149.13176	29.5
151.11143	53.7
153.09082	9.6
153.65411	4.2
158.10907	5.4
163.14816	21.9
171.80521	3.8
173.13196	29.3
179.30817	3.9
191.14226	35.6
204.05374	4.3
209.15282	30.5
213.56123	4.2
224.58310	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01851	6.5
55.05500	39.5
57.07063	4.6
60.91277	3.9
67.05486	24.5
69.03402	21.6
69.07050	30.5
71.04961	16.1
72.80159	3.1
76.56598	4.2
77.79439	4.2
79.05462	27.4
81.07047	39.4
83.04958	80.0
83.08584	18.2
85.06522	7.3
88.39173	3.9
89.03904	3.5
91.05464	32.0
92.09072	17.4
93.07024	59.2
95.04938	53.0
95.08591	44.6
97.06493	15.2
99.04427	7.5
101.27710	3.8
105.07023	25.3
106.04139	15.4
107.08573	97.4
109.06502	23.3
109.10111	28.9
111.08036	8.5
113.05981	6.1
117.06972	4.7
119.08556	20.9
121.06475	18.9
121.10101	51.8
123.08053	17.5
123.11620	4.6
125.05968	4.1
125.09566	20.7
131.08531	16.1
133.10078	52.3
135.08032	20.7
135.11674	31.7
137.05830	4.1
137.09590	23.6
139.11101	4.9
143.08517	4.0
145.10083	8.7
147.11607	30.1
149.05969	7.8
149.09566	16.3
149.13242	33.7
151.11162	100.0
153.09103	16.8
158.10780	5.8
163.14824	15.4
173.13162	27.6
183.05099	4.2
191.14268	96.4
193.03755	4.1
209.15334	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05504	54.0
57.03426	2.1
57.07062	1.5
59.04975	1.9
63.34792	1.0
64.69659	1.1
67.05479	7.3
69.03412	2.2
69.07056	13.2
70.27594	1.1
71.04980	1.5
76.05555	1.1
79.05468	11.9
81.07045	9.8
83.04961	25.3
83.08591	21.3
88.13833	1.2
91.05460	7.9
92.09300	3.2
93.07018	53.2
95.04941	38.5
95.08578	9.1
97.06511	2.3
97.10157	3.1
99.04438	5.1
100.90408	1.2
105.07018	11.3
107.08572	46.6
109.06486	10.5
109.10145	10.6
111.08070	6.6
119.08566	2.4
121.10119	100.0
123.08029	1.3
123.11693	2.8
125.09599	5.9
127.60928	1.3
133.10106	8.1
135.11632	4.9
149.13301	1.6
151.11165	19.1
153.09114	5.5
163.14781	14.5
167.14262	18.3
173.13187	2.5
178.54964	1.4
191.14287	7.9
209.15323	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	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03928	1.7
54.36577	1.3
55.05505	100.0
57.03404	1.4
57.07046	1.6
59.04977	2.5
67.05483	10.2
69.03409	6.1
69.07040	8.0
71.04958	2.3
79.05463	6.4
81.07053	15.0
83.04965	62.2
83.08595	38.7
91.05453	6.9
92.08869	8.0
92.09373	1.5
93.06993	11.9
95.04968	10.1
95.08585	9.9
96.81520	1.3
97.06481	11.9
97.10143	9.4
97.60229	1.4
97.91586	1.5
105.07002	6.3
107.08574	18.0
109.06495	26.2
109.10139	24.6
111.08051	11.6
121.10120	6.9
123.08001	1.5
123.11666	7.9
125.09595	8.5
131.08537	2.1
131.50046	1.5
133.10135	14.2
145.10110	2.2
149.13210	6.6
151.11171	27.2
167.14281	47.5
173.13249	3.3
180.40059	1.5
209.15323	23.1
221.30989	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05503	100.0
57.07065	2.6
59.04990	2.6
61.45080	1.3
63.17112	1.5
67.05483	9.7
69.03413	3.2
69.07046	10.3
71.04974	2.9
73.37466	1.7
79.05463	10.2
81.07029	18.8
83.04964	43.4
83.08604	45.7
85.06535	3.1
91.05462	8.3
92.08858	6.5
93.07021	27.4
95.04951	24.0
95.08582	4.0
97.06517	9.3
97.10150	7.7
105.07017	8.2
107.08569	35.7
109.06499	17.0
109.10148	23.1
111.08070	8.3
113.06055	2.0
119.08540	2.4
121.10109	63.3
123.08047	1.8
123.11688	8.7
125.09598	9.2
131.08496	3.0
133.10091	11.9
138.35831	1.6
140.37421	1.5
149.13213	2.8
151.11162	36.6
153.09102	3.4
163.14775	7.4
166.57939	1.5
167.14267	42.9
173.13179	3.2
191.14305	7.3
209.15320	34.8
209.17142	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03671	2.3
55.05507	100.0
57.07062	3.0
59.04967	3.9
67.05489	13.8
69.03400	3.4
69.07022	3.1
69.18417	2.8
78.68382	2.5
79.05450	11.6
81.07043	24.1
83.04970	63.2
83.08598	46.4
91.05437	11.7
92.08901	9.6
93.07027	14.1
95.04942	19.7
95.08579	6.5
97.06496	13.4
97.10105	4.7
105.07009	12.7
107.08576	27.6
109.06483	26.5
109.10150	28.3
111.08047	11.9
121.10117	24.8
123.08107	3.9
123.11664	6.9
125.09637	10.3
131.08511	6.8
133.10120	32.8
135.08012	7.0
149.13237	11.9
151.11108	29.7
163.14818	4.5
167.14262	48.7
173.13211	12.6
184.88487	3.1
188.66449	2.9
191.14253	3.1
209.15289	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
50.88636	0.8
51.46018	0.9
53.03933	1.5
55.01867	1.6
55.05504	100.0
57.03429	1.5
57.07062	1.9
59.04988	2.5
59.65862	1.0
67.05489	10.8
68.84436	0.9
69.03410	5.5
69.07055	5.7
71.04995	1.3
79.05466	5.8
79.72312	0.9
81.07037	15.8
83.04962	62.8
83.08601	40.3
85.06532	2.2
90.66914	1.0
91.05466	5.2
92.08933	2.4
93.07020	16.1
95.04947	20.3
95.08581	10.9
97.06501	8.3
97.10145	7.4
97.68185	1.0
99.04409	1.3
105.07004	6.1
107.08582	21.7
109.06496	17.0
109.10132	24.1
111.08079	11.6
112.08906	1.0
113.09655	1.7
119.08563	1.4
121.10131	21.5
123.11685	8.9
125.09619	8.5
131.08603	1.5
133.10080	9.8
135.08110	1.2
135.11606	1.3
145.48102	1.0
149.13226	5.1
151.11163	33.9
153.09070	4.8
158.10883	1.4
163.14830	1.8
167.14272	44.0
173.13164	1.7
183.32950	1.1
191.14317	2.1
209.15321	27.3
209.17145	1.8
218.62709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.85723	1.5
55.05503	7.1
57.07077	2.0
58.69197	1.3
67.05487	9.0
69.03412	6.6
69.07050	3.4
71.04991	2.0
79.05480	11.4
81.07044	24.7
90.00245	1.7
91.05463	17.4
93.07046	9.1
95.08586	3.4
105.06403	1.9
105.06989	17.3
107.08572	39.0
109.06516	27.2
109.10155	13.5
115.05421	7.9
116.06197	1.6
117.06973	7.8
119.08577	9.0
121.06451	2.6
121.10122	23.5
122.07271	13.5
123.07991	2.5
131.08604	3.5
133.10110	100.0
135.08035	33.9
135.11703	2.2
137.09599	82.3
137.87212	1.5
147.11671	1.8
149.13248	19.7
151.11113	2.4
158.10820	1.9
173.13243	6.7
191.14323	7.5
198.23880	1.6
229.15117	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
54.81353	1.3
55.01857	1.3
55.05487	9.0
57.07052	9.6
57.82961	1.5
57.85456	1.6
64.15317	1.3
67.05490	15.5
69.03416	81.1
69.07056	12.9
71.11951	2.0
79.05457	14.6
81.07052	15.9
83.04971	21.2
83.08596	2.5
85.06520	6.6
91.05464	11.6
92.09000	9.8
93.07044	13.7
95.04954	3.4
95.08590	16.8
97.06502	6.5
99.08066	2.0
101.58673	1.8
105.07016	15.3
107.08581	45.6
109.06487	23.0
109.10143	7.0
111.08035	7.1
117.06944	1.8
119.08540	9.7
121.06464	6.7
121.10129	22.8
123.08049	7.8
123.11691	7.7
125.09610	59.0
131.08560	14.4
133.10095	10.5
135.08049	35.8
135.11642	9.8
138.09796	1.8
143.08488	8.1
145.10075	8.8
147.11655	7.2
149.09616	16.9
149.13239	8.2
150.10365	2.4
153.09030	12.1
158.10880	11.0
161.09560	6.3
163.11143	7.8
163.14803	2.9
163.91870	1.7
165.12677	13.5
173.13210	32.3
176.12010	2.4
191.14282	100.0
209.15329	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.97097	0.9
55.01848	2.4
55.05506	28.3
57.03420	5.3
57.07064	2.3
67.05487	16.6
69.03398	7.2
69.07059	11.6
71.04961	5.0
71.40457	1.2
77.98951	1.1
79.05469	18.5
81.07037	27.0
83.04961	37.2
83.08590	2.9
85.02885	1.4
85.06532	2.8
91.05457	15.2
92.09177	1.4
93.07015	35.2
95.04947	10.8
95.08576	23.2
97.06502	7.5
97.10092	1.7
99.08033	1.1
105.07018	14.7
107.04915	2.3
107.08569	42.8
108.05707	2.6
109.06499	25.7
109.10143	24.8
111.04415	2.7
111.08054	5.7
117.07023	1.2
119.06014	1.5
119.08577	10.5
121.06466	7.7
121.10120	22.9
123.08038	100.0
123.11696	5.0
125.09608	2.2
127.07510	14.2
131.08501	6.3
133.10100	10.2
135.08025	10.3
135.11679	1.9
136.08832	2.0
137.09593	10.6
139.07500	2.0
143.08542	1.3
145.10144	2.0
146.30527	1.1
147.11668	2.8
148.44118	1.2
149.09608	2.8
149.13248	14.3
151.11150	7.9
153.09052	9.5
154.09859	16.5
155.10643	1.7
158.10835	1.2
161.13216	1.7
163.14803	2.7
167.14207	1.2
173.13196	7.3
191.14230	10.1
196.38481	1.2
197.94716	1.2
204.15656	1.2
209.15341	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	209.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01865	3.4
55.05495	1.9
56.05026	0.7
56.96556	2.4
57.03175	0.5
57.03430	9.6
59.04978	0.8
60.04506	0.7
60.05635	0.4
61.02914	14.9
67.05501	0.5
67.92483	0.7
69.03413	24.6
69.07047	0.8
70.06578	3.7
71.01336	7.3
71.04969	5.7
72.08131	2.3
73.02896	6.8
74.06050	0.4
75.04466	0.4
81.03397	20.5
82.94824	3.0
83.01308	1.0
83.04965	0.4
84.04479	3.5
84.08121	5.3
84.40168	0.4
85.02888	100.0
85.06520	2.7
86.03244	0.4
86.09697	3.8
87.04443	3.0
90.45897	0.4
91.03928	4.7
91.05424	0.5
95.04957	2.9
97.02866	18.1
98.03661	2.0
98.97557	2.4
99.04436	5.4
100.02478	1.8
100.95867	0.4
101.02361	1.4
103.03909	0.7
109.02858	10.3
110.07070	0.5
112.08721	0.8
113.05988	5.1
115.03926	0.7
116.98595	1.7
118.06548	0.5
119.01913	0.4
121.06513	0.4
123.04398	0.4
123.09167	0.6
123.97426	2.9
126.93768	1.5
127.03886	14.4
128.98642	0.4
129.10205	2.1
131.00233	0.4
131.03394	0.6
134.99619	0.5
136.43834	0.4
140.06946	0.4
141.05443	3.1
144.94785	0.8
145.04932	11.9
149.01181	0.8
150.05464	3.0
159.02849	0.7
162.95889	2.1
163.06015	0.6
163.08636	1.4
167.96402	0.7
175.11931	1.4
177.00635	0.4
177.04123	0.5
179.00746	0.4
181.00014	0.3
185.97430	2.6
191.02266	0.5
207.38347	0.4
209.10692	0.5
209.12550	0.4
209.15326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03930	2.1
55.01868	2.4
55.05503	100.0
56.23497	1.0
57.07052	1.6
59.04984	2.3
64.33227	0.8
65.03909	1.4
67.05492	11.2
68.65474	0.9
69.03415	7.5
69.07050	6.9
71.04974	2.3
78.04696	1.2
79.05469	7.6
81.07024	12.8
82.34053	0.9
82.81294	0.9
83.04965	64.4
83.08598	45.1
85.06533	1.6
91.05456	8.3
92.09177	4.8
93.07020	19.0
95.04942	24.7
95.08582	10.3
97.06498	7.8
97.10146	9.3
99.04369	1.3
103.05398	1.4
105.07004	8.3
106.04158	7.7
107.08564	23.7
109.06517	10.5
109.10139	23.1
111.08038	12.1
113.09629	2.2
119.08567	1.5
121.06483	4.2
121.10120	30.1
123.08036	1.6
123.11677	11.4
125.06017	1.2
125.09626	8.4
131.08549	1.5
133.10074	4.1
135.08008	1.9
137.05898	1.7
149.05954	6.0
149.13301	3.9
151.11151	35.7
153.09062	2.2
163.14801	2.0
167.14276	44.6
173.13219	1.8
177.05435	1.6
191.14313	2.2
209.15338	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	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.00282	0.8
53.03946	8.0
53.15173	0.7
55.01862	13.1
55.05498	1.3
57.03428	1.0
60.53953	0.7
61.02888	1.1
62.10741	0.8
62.98719	0.8
65.03922	12.8
67.05485	5.0
75.04462	10.4
77.03914	1.1
78.04693	16.8
79.05462	8.9
81.03388	1.7
81.07030	1.9
82.04182	1.4
83.17079	0.8
85.02889	9.6
85.24522	0.8
89.03906	5.3
89.06017	1.1
91.05457	55.0
92.08999	4.3
93.03384	18.6
93.07021	12.3
94.04174	1.6
95.04942	31.7
95.08593	0.8
96.41538	0.7
97.06512	11.4
103.05448	24.0
103.68404	0.7
105.03380	4.5
105.04517	3.7
105.06994	1.4
106.04152	100.0
107.04948	5.1
107.08583	1.0
108.02104	1.0
108.05710	0.8
109.06499	6.6
110.03621	3.4
110.07291	1.3
111.03697	0.8
111.04438	3.2
111.08044	0.8
117.03336	4.2
118.04150	0.9
118.46946	0.9
119.04938	4.6
120.05695	1.7
121.06476	74.9
121.10110	1.1
122.03621	1.9
122.07265	1.4
123.04410	4.6
123.08038	1.3
124.05170	3.7
125.05962	11.8
126.06742	1.0
131.04921	3.6
133.02834	1.8
134.03606	16.6
135.04364	3.6
137.05951	24.0
137.09624	1.1
138.06754	5.0
139.07553	5.6
145.02815	3.9
145.67746	0.8
148.05128	7.2
149.05954	74.7
151.03909	1.9
151.07486	1.8
151.54979	0.9
152.08310	1.7
153.05426	4.9
153.09056	13.5
163.03897	1.4
163.07465	6.5
165.05447	3.4
166.06206	4.4
167.14388	0.9
177.05432	20.0
181.08531	14.1
191.06969	3.5
209.08018	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	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03941	11.0
54.68298	1.3
55.01866	19.5
55.05497	9.5
55.37199	1.2
57.03423	2.2
65.03930	15.3
67.05493	5.6
69.07065	1.7
71.04986	2.1
75.04455	3.5
76.77440	1.3
77.03891	2.8
78.04691	19.7
79.05470	11.4
81.07043	6.2
83.04973	6.0
83.08602	2.3
85.02858	5.5
89.03906	6.0
90.40519	1.4
91.05463	64.4
91.06004	2.9
92.09134	3.1
93.03384	14.6
93.07031	17.9
94.04151	2.2
95.04945	29.5
95.08582	2.7
97.06502	13.2
103.05447	22.6
105.03382	3.6
105.04491	3.1
105.07028	3.3
106.04155	100.0
107.04962	3.2
107.08544	2.8
108.05724	1.7
109.06495	11.4
109.10131	3.0
111.04444	2.8
111.08091	2.2
117.03377	3.8
117.47290	1.6
118.04108	1.5
119.04938	3.1
119.08594	2.8
121.06486	72.2
121.10143	6.5
122.03642	2.6
123.04407	2.8
123.08048	1.9
125.05967	10.0
131.04919	3.6
131.08595	1.5
133.10107	3.3
134.03590	15.0
135.08009	2.6
135.11731	2.1
137.05956	23.4
138.06721	3.8
139.07487	6.2
145.02878	3.3
147.04349	2.6
148.05222	8.4
149.05957	66.2
151.03893	3.1
151.07533	2.5
151.11156	2.1
153.05481	3.2
153.09081	15.1
163.07500	6.6
165.05461	2.5
165.12743	1.8
166.06256	2.7
169.80214	1.8
177.05417	19.4
181.08536	13.4
191.07016	3.3
191.14362	3.4
209.08102	11.3
209.15413	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.7
55.01868	9.8
55.05513	11.5
57.03384	1.9
59.04977	1.1
61.02898	1.1
61.90508	1.0
65.03924	12.1
66.08824	1.1
67.05498	11.0
69.03393	1.6
69.07058	2.8
70.35432	1.1
71.04975	2.1
75.04458	9.4
75.73857	1.3
77.03921	1.3
78.04694	18.7
79.05466	13.2
81.03394	2.1
81.07023	9.5
83.04949	8.9
83.08588	2.7
85.00040	1.2
85.02885	7.8
85.06483	1.7
89.03917	4.3
89.47988	1.1
91.05460	58.9
92.08994	15.3
93.03388	15.2
93.07021	17.7
95.04943	31.1
95.08561	2.6
97.06511	14.6
99.04427	1.5
103.05449	20.4
105.03363	2.6
105.04504	2.9
105.06983	5.9
106.04154	100.0
107.04918	6.7
107.08566	8.4
108.05719	1.4
109.06523	10.3
109.10122	1.2
111.04368	2.4
111.08029	1.6
112.46472	1.2
115.96128	1.2
117.03337	2.3
117.06959	1.2
119.04945	2.0
119.08568	1.4
121.05595	2.4
121.06473	67.2
121.10114	8.1
122.07232	2.1
123.04395	5.7
123.08064	1.8
124.05187	2.4
125.05961	12.3
131.04863	1.7
131.08519	1.5
133.10085	5.2
134.03601	11.0
135.04433	2.0
135.08035	4.9
135.11688	1.8
137.05960	21.3
137.09625	1.8
138.06712	2.6
139.07521	6.6
145.02824	1.6
147.11679	1.6
148.05145	8.5
149.05963	65.3
151.03883	1.9
151.07513	2.2
151.11108	1.8
153.05415	5.9
153.09044	14.4
159.04378	1.4
162.03178	1.4
163.07506	1.9
165.05328	1.4
166.06255	2.4
173.13263	2.1
177.05441	20.3
181.08546	11.7
191.14247	1.9
209.08069	7.4
209.15274	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	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03934	4.0
55.01867	8.2
55.05500	3.6
57.03417	1.0
65.03927	4.1
66.70782	0.7
67.05489	1.8
71.04983	1.3
75.04442	3.4
76.55882	0.9
78.04696	8.7
79.05472	3.4
81.03412	1.7
81.07030	1.4
83.04973	1.4
83.08581	0.9
85.02898	3.8
89.03900	27.3
91.05463	24.2
92.08863	4.7
93.03387	7.5
93.07018	8.9
95.04940	13.7
95.73051	0.9
96.05750	0.9
97.06496	6.3
103.05463	11.4
105.03373	1.5
105.04503	1.9
105.06985	1.1
106.04163	45.5
107.04945	2.0
107.08556	1.9
109.06494	5.0
111.04450	1.4
117.03362	69.3
119.04932	1.6
121.06487	34.0
121.07325	1.7
122.07302	1.0
123.04374	2.0
123.08054	1.3
123.11652	0.8
124.05164	3.2
125.05952	4.9
131.04906	1.1
133.10101	1.1
134.03619	15.7
135.04401	8.1
137.05971	10.4
138.06708	1.0
139.07524	2.0
145.02835	100.0
148.05194	4.6
149.05962	57.1
151.03912	1.6
151.11160	0.9
151.59732	0.8
152.04643	1.1
153.05476	3.6
153.09102	7.5
162.03120	3.2
163.03844	5.7
163.07549	1.3
166.06230	1.4
167.06981	1.3
177.05440	98.8
181.08603	5.5
191.06949	3.0
209.08064	5.9
209.15369	1.5
224.28732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.0
54.68298	1.3
55.01866	19.5
55.05497	9.5
55.37199	1.2
57.03423	2.2
65.03930	15.3
67.05493	5.6
69.07065	1.7
71.04986	2.1
75.04455	3.5
76.77440	1.3
77.03891	2.8
78.04691	19.7
79.05470	11.4
81.07043	6.2
83.04973	6.0
83.08602	2.3
85.02858	5.5
89.03906	6.0
90.40519	1.4
91.05463	64.4
91.06004	2.9
92.09134	3.1
93.03384	14.6
93.07031	17.9
94.04151	2.2
95.04945	29.5
95.08582	2.7
97.06502	13.2
103.05447	22.6
105.03382	3.6
105.04491	3.1
105.07028	3.3
106.04155	100.0
107.04962	3.2
107.08544	2.8
108.05724	1.7
109.06495	11.4
109.10131	3.0
111.04444	2.8
111.08091	2.2
117.03377	3.8
117.47290	1.6
118.04108	1.5
119.04938	3.1
119.08594	2.8
121.06486	72.2
121.10143	6.5
122.03642	2.6
123.04407	2.8
123.08048	1.9
125.05967	10.0
131.04919	3.6
131.08595	1.5
133.10107	3.3
134.03590	15.0
135.08009	2.6
135.11731	2.1
137.05956	23.4
138.06721	3.8
139.07487	6.2
145.02878	3.3
147.04349	2.6
148.05222	8.4
149.05957	66.2
151.03893	3.1
151.07533	2.5
151.11156	2.1
153.05481	3.2
153.09081	15.1
163.07500	6.6
165.05461	2.5
165.12743	1.8
166.06256	2.7
169.80214	1.8
177.05417	19.4
181.08536	13.4
191.07016	3.3
191.14362	3.4
209.08102	11.3
209.15413	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	207.1742
Annotation	beta-Irone
Peak:m/z	Relative Intensity
50.88916	1.0
53.03934	1.1
53.44469	1.1
55.05498	7.5
57.03421	5.1
57.07067	2.9
67.05489	8.7
69.07053	10.0
71.04949	2.0
71.45546	1.0
79.05475	8.2
81.07042	16.5
83.08614	1.5
85.06532	5.5
88.12997	1.3
91.05465	10.7
92.08656	1.4
92.09129	2.3
93.07026	36.4
95.08582	38.4
105.07008	28.2
107.08575	58.8
109.06504	2.4
109.10152	11.7
110.89667	1.2
111.08083	2.5
119.08556	52.1
121.10094	13.8
121.10827	1.1
123.08089	2.9
123.11705	6.1
129.11340	1.5
131.08582	1.7
133.10097	46.6
135.11670	100.0
137.09612	7.0
143.03595	1.8
145.10120	2.4
147.11658	31.9
149.13229	7.3
151.11134	9.5
160.12495	1.7
161.13272	5.1
163.14798	9.8
165.12619	1.5
169.55927	1.2
189.16345	70.9
207.17427	39.2
219.79642	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1743
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03930	4.0
55.05497	18.8
57.03441	5.2
57.07073	6.0
57.73006	3.8
62.55986	4.0
64.99424	4.3
67.05488	19.7
68.81224	4.8
69.03403	8.1
69.07063	46.5
75.28105	4.6
79.05465	18.9
81.07039	20.2
83.04967	4.9
91.05467	44.7
93.07037	43.3
95.08601	58.3
97.06506	4.4
99.15689	4.2
105.07007	58.8
107.08576	67.5
109.10145	27.1
110.62791	4.0
115.96455	6.4
119.01919	8.1
119.08563	66.1
120.02000	23.4
121.10140	24.4
123.08033	19.4
123.11672	5.0
131.08559	8.3
133.10127	76.2
133.97511	5.0
135.11668	86.7
137.02908	7.5
137.09616	18.7
138.03035	17.5
139.07460	7.0
142.03503	9.0
143.03598	32.1
145.10184	5.5
147.11705	39.5
149.09621	8.0
151.07552	36.0
151.11157	18.3
159.08023	5.2
161.04648	10.4
161.13223	17.4
165.09100	28.7
165.12662	5.2
168.32182	4.8
184.13795	4.4
189.12743	23.2
189.16391	100.0
193.52258	4.6
207.13751	51.5
207.17421	42.3
207.45836	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03930	6.5
54.27455	1.0
55.01858	2.4
55.05503	18.7
55.05765	1.7
57.03421	2.0
65.03916	2.2
67.05488	41.9
69.03404	3.0
69.07043	7.9
71.04983	2.5
79.05470	69.1
81.03380	2.0
81.07037	35.9
82.37894	1.4
82.90339	1.3
83.04952	7.0
83.08614	1.8
83.88926	1.2
85.06508	2.2
91.05463	66.7
92.08700	2.6
92.09236	4.4
93.07021	100.0
95.04945	25.7
95.08582	17.3
105.04461	1.6
105.07009	34.5
107.08590	11.6
109.06482	5.9
117.07005	7.7
119.01925	2.6
119.08566	21.4
120.01947	2.9
123.08048	2.4
123.59615	1.2
129.07011	12.1
131.08554	2.8
133.10098	5.3
138.02972	2.5
142.03494	2.0
143.03636	7.0
143.08517	8.6
145.10092	8.7
147.07999	3.1
147.11665	41.0
161.04588	1.8
161.13235	7.0
171.11691	17.6
189.12683	7.5
193.60843	1.3
207.06506	2.7
207.13760	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1743
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03942	1.9
55.05490	9.7
57.03416	8.0
57.07066	2.9
64.53434	1.6
67.05481	10.8
69.03405	6.7
69.07066	12.6
79.05466	9.7
81.07040	17.8
83.04970	3.0
84.92313	1.4
85.06532	2.1
91.05454	16.0
92.08893	6.8
93.07014	33.2
95.08584	40.4
100.83878	1.7
105.07013	33.7
107.08572	63.8
109.06487	3.0
109.10132	12.5
115.96450	1.6
119.01900	7.6
119.08558	49.6
120.01987	7.2
121.10128	11.7
123.08044	3.5
123.11671	6.5
131.08528	2.9
133.10114	47.9
133.10960	1.4
135.11664	99.2
137.09596	6.7
138.02962	2.1
143.03619	9.9
145.10083	6.0
146.10861	2.6
147.11667	38.3
149.13235	7.0
151.11169	8.5
159.11633	2.4
160.12492	1.8
161.04703	2.6
161.13226	3.3
163.14771	10.0
189.16350	100.0
207.17400	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.99852	2.4
55.01873	5.1
55.05505	37.5
57.03426	5.9
57.07082	3.0
65.03919	3.0
67.05487	17.2
69.03439	3.0
69.07047	17.5
71.04957	11.0
79.05479	16.5
81.07033	30.4
82.51242	3.1
83.04974	34.0
85.02895	39.9
91.05455	27.8
92.08582	2.8
92.09106	4.3
93.07037	28.0
93.90720	2.9
95.04955	14.6
95.08596	28.6
97.06500	16.8
98.97503	3.3
105.07007	35.2
107.04935	3.5
107.08569	45.7
108.34863	2.7
109.05810	5.4
109.06505	100.0
109.10143	14.0
111.08074	23.3
117.07014	3.5
119.04952	5.8
119.08562	51.2
121.06450	5.6
121.10127	49.3
122.07298	3.8
123.08074	28.9
123.11675	25.2
125.09541	3.1
133.10088	15.6
135.08057	7.0
137.09596	88.8
137.13202	2.7
140.10948	2.7
147.08055	7.1
147.11681	45.5
149.02307	5.1
149.09619	31.2
150.10379	3.3
151.07544	5.8
156.09398	11.6
159.07983	10.8
161.09630	3.5
161.13252	20.0
165.12720	96.0
171.11679	12.0
174.10400	32.2
179.14207	4.8
189.12698	27.4
207.06435	6.0
207.13763	44.9
208.15749	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03933	1.8
53.74715	0.6
55.01857	4.0
55.05499	11.8
57.03421	3.7
57.07029	0.9
57.79318	0.8
59.04987	3.9
65.03920	1.4
67.05494	28.7
67.05862	1.7
69.03414	8.4
69.07045	5.6
71.04964	3.5
79.05466	11.3
80.05489	0.8
81.03394	1.8
81.07029	15.4
83.04970	5.1
91.04900	1.0
91.05462	22.1
92.09123	0.9
93.07026	14.8
95.04947	17.5
95.08573	16.4
97.06479	1.5
103.05458	2.0
105.07010	33.4
106.81203	0.8
106.85947	0.8
107.04937	4.9
107.08569	24.1
108.05708	1.3
109.06495	42.5
109.10135	33.6
111.08081	1.8
115.62685	0.8
117.06985	3.6
119.04985	0.8
119.06037	3.4
119.08556	37.2
121.06488	4.6
121.10132	10.4
122.07253	10.0
123.08046	28.6
123.11669	1.4
128.06213	1.1
129.06947	0.9
131.08553	4.7
133.06490	3.4
133.09233	1.1
133.10095	9.5
135.08026	11.2
135.11638	3.2
137.09590	100.0
139.07526	1.8
143.08560	1.1
145.10120	3.3
147.08023	5.2
147.11679	14.5
149.09601	20.3
151.07533	5.3
153.09111	3.6
153.84717	0.8
156.09341	4.5
159.11725	1.3
161.09581	1.7
161.13208	13.8
163.11075	1.0
167.41013	0.9
171.11650	3.6
174.10362	1.1
177.12738	1.4
179.14230	1.2
189.12656	7.4
207.13757	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05502	15.2
56.48560	1.9
60.82782	1.7
62.17123	1.7
62.31046	1.7
63.96168	1.7
67.05483	16.1
69.03426	8.4
69.07045	10.8
71.04980	5.0
75.35484	2.0
79.05479	8.0
80.18288	1.9
81.07038	15.2
83.04975	10.7
83.08598	3.1
85.02908	16.3
85.06541	17.3
88.45181	2.1
91.05461	14.3
92.08622	2.4
92.09145	8.4
93.07020	16.3
95.04948	13.1
95.08586	10.4
97.02872	2.6
97.06513	15.9
98.97559	2.7
105.07018	21.4
107.08570	21.5
109.06502	100.0
109.10162	8.0
111.08059	55.1
117.07053	2.5
119.08565	32.4
121.06467	2.5
121.10111	22.0
123.08045	22.1
123.11700	12.3
131.08540	2.4
133.10133	13.9
135.08022	4.1
135.11626	2.4
137.09579	18.6
137.13274	2.4
145.10101	3.4
147.04521	2.7
147.08014	4.4
147.11668	27.4
149.09598	25.3
151.07513	12.6
156.09274	15.1
159.08028	9.7
161.05978	3.9
161.09558	7.1
161.13261	9.9
163.11099	7.8
165.09044	3.0
165.12747	28.6
171.11572	16.1
174.10355	12.9
189.12717	31.3
207.13780	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03922	1.6
53.18423	1.6
55.01857	1.8
55.05501	19.4
57.03424	3.9
57.07067	2.1
65.03905	1.8
67.05473	7.3
69.03082	1.7
69.03413	49.5
69.07052	12.2
71.04964	3.2
79.05487	15.1
81.07040	15.2
83.04963	3.0
85.02892	2.3
85.88551	1.7
91.05464	57.3
92.08859	2.6
93.07010	20.1
95.04936	8.4
95.08585	21.0
105.06368	2.9
105.07015	55.2
107.04906	1.8
107.08577	36.8
109.06512	10.1
109.10133	3.5
117.06990	8.4
119.04925	22.5
119.08561	91.5
121.06493	3.0
121.10158	18.1
123.08041	14.8
123.11681	2.3
125.38230	1.7
131.08563	10.7
132.02089	2.4
132.09317	3.4
133.06404	1.7
133.10092	13.2
135.08031	81.8
135.11642	29.5
137.09583	6.9
137.13219	8.0
145.10083	10.3
146.10893	2.4
147.04369	11.3
147.08046	4.0
147.11670	100.0
149.09612	3.4
150.10564	2.1
151.07492	2.5
153.09032	3.7
156.09317	11.0
159.08008	12.4
159.11674	2.6
161.09604	2.9
161.13237	19.7
163.11115	12.4
164.04729	2.0
165.12715	13.2
171.11652	3.9
174.10437	15.0
175.03842	20.3
189.12680	37.8
192.04132	3.9
207.06509	11.0
207.13721	31.9
229.32367	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.8
58.87494	0.7
67.05492	7.7
69.03409	1.5
69.07050	2.4
71.04928	1.5
79.05460	6.5
81.06680	1.0
81.07047	18.9
81.76446	0.9
83.04999	1.1
85.02886	100.0
91.05464	9.4
92.09153	3.6
93.07010	6.6
95.04952	1.6
95.08570	7.4
105.07011	18.7
107.08573	8.3
109.06484	5.2
109.10130	15.6
117.06998	2.5
119.04840	1.1
119.08562	19.9
121.10118	14.4
123.08046	5.7
123.11681	46.7
125.05951	11.2
128.06235	1.2
130.07785	2.2
131.08534	4.1
133.06493	1.4
133.10092	1.1
141.05463	1.4
141.49339	1.3
145.10123	8.1
147.04395	2.2
147.08011	5.3
147.11668	16.8
149.09598	13.6
151.07466	4.7
156.09308	4.1
160.08830	1.1
161.13210	1.4
163.11163	1.4
165.12701	1.8
171.11760	1.0
174.10394	2.0
174.19821	1.0
175.03908	1.2
189.12682	8.5
207.13756	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.43708	2.1
53.03944	4.9
55.05503	16.1
67.05494	39.1
69.03411	5.6
69.07043	4.8
72.92821	2.6
79.05474	59.9
81.03419	2.9
81.07041	37.2
83.04958	4.0
85.06514	2.5
91.05461	60.4
93.07024	100.0
93.14394	2.4
95.04951	22.9
95.08595	12.5
101.00840	2.9
105.04506	2.4
105.07036	26.3
107.08578	5.7
111.04391	2.5
115.96419	5.9
117.06979	4.2
119.01907	15.0
119.08563	18.8
120.01984	19.0
129.06992	5.1
132.13420	2.7
133.10133	4.4
137.02963	5.3
138.03082	17.6
142.03445	2.8
143.03674	23.2
143.08617	3.1
145.10150	3.8
147.11681	35.7
161.04697	16.3
161.13171	3.6
171.11673	17.4
189.12718	6.7
196.98962	2.8
199.61427	2.8
207.13719	23.3
222.46266	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	207.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01862	1.9
55.05500	8.9
57.03417	0.9
58.97196	0.8
59.04978	4.7
65.03920	0.9
67.05491	28.4
69.03421	6.8
69.07037	5.4
71.04960	0.9
79.05462	9.6
81.03395	4.6
81.07041	12.8
83.04943	2.0
89.33400	0.8
91.05457	19.7
92.08791	1.8
92.09314	1.0
93.07013	9.8
93.83904	0.8
95.04951	13.7
95.08584	13.6
97.06455	1.4
101.67897	0.8
103.05443	0.9
105.07002	27.4
107.04924	5.1
107.08591	14.6
107.65775	0.8
108.05705	1.5
109.06508	44.7
109.10140	24.9
111.08077	1.2
117.07002	2.1
117.67852	0.8
119.08551	29.0
121.06469	4.2
121.10120	5.3
122.07267	10.8
123.08029	17.7
125.09606	1.0
131.08560	1.6
133.06502	1.2
133.10088	7.6
135.08031	7.3
135.11627	1.4
137.09593	100.0
145.10117	1.7
147.08022	4.0
147.11668	13.5
149.09604	6.9
151.03847	1.4
151.07507	1.2
153.09042	4.4
156.09338	3.4
159.11642	1.3
161.09663	1.2
161.13176	7.3
171.11671	1.4
189.12729	6.9
207.13751	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	207.05
Annotation	2-Methylcitrate
Peak:m/z	Relative Intensity
53.03931	1.7
55.01866	64.5
55.05496	6.1
56.05025	2.7
56.96552	3.6
57.03428	85.3
59.04988	8.5
61.02922	14.1
62.36865	1.3
65.92614	3.5
69.03414	21.8
71.01337	58.7
71.04974	17.2
71.32057	1.3
73.02901	34.8
74.06048	2.4
75.04459	6.8
75.29202	1.4
79.05470	1.7
80.94939	18.0
81.03378	3.7
83.01326	22.0
83.04964	11.7
84.08098	2.4
84.23933	1.5
85.02884	18.7
87.00816	6.8
87.04455	50.5
89.02370	12.3
91.79784	1.5
95.01305	8.5
95.04949	2.1
97.02882	3.0
98.97571	10.4
99.04438	6.4
101.02358	85.1
102.33896	1.6
103.03922	8.7
104.05323	1.7
109.08363	1.5
111.00768	9.2
111.04402	7.4
113.02389	3.2
115.03908	96.8
116.98559	8.2
121.97554	10.6
123.51797	2.3
124.07547	3.9
124.93880	10.6
127.03912	3.8
129.01807	37.8
129.05447	8.2
130.06497	3.2
131.03377	7.2
133.04927	3.5
134.99629	3.2
142.94878	3.5
143.03395	19.1
157.01297	100.0
160.13382	5.4
160.95924	12.1
161.04427	3.8
165.96498	7.5
175.02397	9.4
183.97548	15.0
189.03854	16.7
189.07610	3.1
207.14899	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	207.1016
Annotation	2,2-Dimethyl-6-methoxy-4-chromanone
Peak:m/z	Relative Intensity
53.00286	0.5
53.03939	1.0
55.01842	0.6
55.05506	0.8
67.05512	5.6
68.99757	0.8
69.03409	1.0
69.07056	17.6
77.03918	0.7
79.05474	6.4
81.07038	2.2
85.02902	0.7
89.54180	0.5
91.05463	11.9
92.08728	0.6
93.03378	0.6
93.07024	1.3
95.04957	11.7
95.08599	2.5
98.78647	0.5
99.77244	0.5
103.05444	1.1
105.03364	3.1
105.07036	1.2
107.04929	3.4
107.08574	0.6
108.05725	1.0
109.10149	1.0
118.04152	1.3
119.04920	7.6
119.08562	1.3
121.06485	2.8
121.10096	0.8
123.04414	6.3
123.08032	1.0
133.02849	3.2
133.06444	0.9
133.10187	0.6
136.05194	4.2
146.03593	2.5
147.04395	5.9
147.11690	1.0
149.02318	10.9
149.05992	0.8
149.09660	0.8
151.03891	100.0
151.07527	3.0
161.05968	0.7
163.03912	1.2
164.04677	10.6
165.05450	1.2
174.03018	2.7
175.03906	0.7
176.28598	0.5
179.07045	6.8
183.97449	0.5
189.09004	2.3
192.04172	3.5
201.66545	0.5
207.06508	15.7
207.10074	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	205.1585
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03529	0.6
53.03929	0.7
53.55339	0.6
55.05492	5.4
57.07046	0.9
58.33025	0.6
59.04967	1.1
67.05486	6.2
69.07034	2.8
70.68042	0.8
71.04975	39.0
78.95271	0.8
79.05473	5.9
81.07030	19.2
82.65197	0.8
91.05460	9.1
92.08743	4.9
92.09371	1.6
93.07013	22.7
95.04945	6.6
95.08573	22.0
97.06478	6.0
99.08083	1.4
105.07012	55.2
107.08574	14.7
107.77623	0.8
109.06494	6.3
109.10109	5.5
111.08065	11.7
113.09632	23.1
117.06975	3.7
119.08554	18.6
121.09270	0.9
121.10126	19.1
130.07733	1.8
131.07631	1.1
131.08531	19.2
131.26158	0.7
133.10049	2.8
135.11655	1.7
142.03407	1.2
143.08464	1.2
145.10094	44.3
147.11661	41.9
149.02269	1.7
149.09566	1.5
159.11670	6.9
161.13217	9.1
163.14758	6.6
177.12692	7.8
187.14763	35.0
205.15834	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.32114	1.4
55.05496	24.9
57.07054	13.7
60.84491	1.4
67.05483	25.3
68.97141	1.5
69.03409	2.1
69.07053	37.3
69.07408	3.1
78.49411	1.5
79.05457	19.9
79.31040	1.4
81.07034	60.8
83.08616	13.3
85.02867	2.2
91.05455	12.8
92.09026	8.9
93.07019	83.8
95.08579	50.7
96.95734	1.9
97.02879	1.9
97.10138	10.9
105.07017	11.6
107.08572	73.9
109.10138	45.4
117.07018	2.3
119.01908	3.8
119.08582	3.9
121.10109	49.5
122.94197	1.8
123.11678	42.2
131.08533	1.9
135.11665	48.8
137.02954	1.9
142.03543	5.8
145.06424	2.2
145.10120	2.9
147.11681	3.5
149.02303	12.0
149.13235	100.0
158.96275	2.0
159.11656	2.7
163.14781	16.8
181.97943	2.7
200.96022	1.8
205.15842	3.0
205.19458	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1024
Annotation	Casuarine
Peak:m/z	Relative Intensity
51.16785	0.7
52.96757	0.7
55.01857	3.3
55.05492	3.4
56.05033	13.4
56.96556	0.7
57.03419	3.7
58.02941	0.8
58.06351	1.0
58.06597	20.7
59.04975	4.0
60.04516	5.3
61.02914	1.1
64.32687	0.7
68.05025	8.0
68.97768	0.7
69.03400	4.3
69.07037	4.2
70.02921	0.7
70.06577	17.0
71.01371	0.7
71.04974	1.5
71.91135	0.7
72.04504	0.9
72.08128	1.7
73.02881	1.4
74.06055	1.2
75.72763	0.7
75.74778	0.8
76.03963	4.0
76.07636	2.8
79.05466	4.3
81.07034	3.5
82.06557	2.8
83.04961	4.9
84.04492	75.2
85.02894	18.0
86.03208	0.9
86.06069	1.1
87.04459	0.9
88.02217	1.0
90.05539	1.5
96.04449	1.0
96.08112	100.0
97.06510	1.1
98.02394	1.3
99.89596	0.7
100.03960	1.5
100.07590	3.4
101.02383	0.9
101.05999	1.1
102.05526	4.2
103.03951	0.8
107.04932	4.2
109.06509	1.3
110.06019	1.5
111.04411	4.2
113.07115	8.4
114.05492	3.2
115.08678	1.2
116.05293	1.6
119.01871	1.2
124.07571	43.9
125.05978	3.7
128.07050	1.7
129.01837	0.8
129.05418	2.9
131.03438	1.1
135.04390	3.6
142.03435	1.7
142.04955	1.6
142.08623	50.9
146.04393	0.8
146.08110	5.7
153.05441	1.7
159.07620	8.0
160.09662	34.5
170.08092	32.4
171.06505	5.1
178.04944	9.5
188.05550	1.2
188.09172	14.8
189.07530	3.0
206.04422	2.8
206.07069	2.6
206.10196	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1587
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
54.91566	1.7
55.05487	3.7
56.45971	1.4
56.96558	3.6
57.07064	2.7
63.92911	3.7
64.84435	1.6
67.05484	4.5
69.07048	3.0
71.04974	40.8
74.01781	1.5
78.95248	12.6
79.05463	3.6
81.07047	15.7
85.02850	2.5
91.05450	11.9
92.09016	4.4
93.07018	18.2
95.04938	3.8
95.08590	30.0
97.06522	2.0
105.07007	63.2
107.08588	19.4
109.06477	2.2
109.10159	2.9
112.64015	1.8
113.09628	24.5
117.06974	3.3
119.01865	7.1
119.08565	23.4
119.97872	8.6
121.02831	2.7
121.10114	16.7
122.94160	3.7
122.96469	2.7
130.07686	2.9
131.08539	19.7
135.11652	3.8
137.02954	2.5
140.95204	2.5
142.03450	7.5
145.10112	44.1
146.08241	1.9
147.10614	2.4
147.11681	48.8
149.02328	25.3
149.09494	2.7
158.96239	9.1
159.11688	10.7
161.13231	4.0
163.96783	3.7
181.97856	13.9
187.14777	41.0
205.12357	7.2
205.14005	3.9
205.15843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81432	0.4
72.46575	0.3
73.38235	0.3
74.02412	2.4
81.61780	0.4
91.05437	1.5
92.08635	0.7
92.09232	0.7
104.72395	0.4
115.05417	3.2
117.05721	1.9
117.06958	3.1
118.06509	58.7
119.37248	0.4
130.06502	3.9
132.07106	0.7
132.08057	11.9
142.06485	6.1
143.07265	7.6
144.04430	0.6
144.06911	0.8
144.08055	24.6
146.05977	100.0
147.06358	0.4
159.09140	8.9
160.07541	2.3
170.05974	8.6
188.07021	61.3
205.09695	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1585
Annotation	Khusitone
Peak:m/z	Relative Intensity
50.06651	3.8
55.05504	9.5
59.12459	4.5
64.83939	4.1
69.07043	38.9
79.05471	20.5
81.07039	9.4
83.08595	8.6
91.05458	10.9
92.09048	22.9
93.07011	50.5
95.08584	30.1
105.07018	33.3
107.08582	100.0
109.10142	18.2
113.06727	4.6
117.06979	11.2
119.01913	10.6
119.08571	55.3
121.10124	89.0
123.08017	6.1
124.28683	4.4
125.16170	4.5
130.07808	5.6
131.08569	18.8
133.10123	41.0
135.11652	21.0
142.03497	17.8
145.10089	62.1
147.11710	8.2
149.02309	36.2
149.13281	4.9
157.10078	7.1
159.11687	7.7
160.04568	6.0
163.11174	95.7
163.14821	10.3
175.14801	35.5
177.16357	22.3
181.97858	7.6
187.14786	30.7
205.06815	8.3
205.15837	60.8
214.09665	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	205.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64770	1.2
53.03936	6.5
55.01869	3.1
55.05501	1.7
57.03430	2.8
61.02917	20.0
67.05470	2.0
69.03419	88.1
69.07076	1.6
71.04969	7.7
80.22711	1.4
81.03401	31.9
81.07032	2.8
81.59786	1.6
83.01324	7.2
85.02895	85.9
87.82904	1.7
93.07053	3.6
95.08602	3.3
97.02869	78.3
97.06409	1.4
99.04435	20.7
105.07001	1.7
107.08557	1.9
109.02866	100.0
109.03615	3.6
109.10178	2.3
119.08578	2.4
121.10114	1.5
127.03895	48.9
139.03871	3.7
145.04951	22.1
145.10106	5.8
147.11578	1.6
149.02338	2.5
154.85281	1.4
187.06003	1.9
188.51978	1.5
205.06909	1.7
205.19626	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
51.92215	0.4
55.44710	0.4
61.35815	0.3
62.75028	0.3
65.31182	0.4
74.02415	2.7
91.05452	2.2
92.08663	0.5
92.09151	1.7
115.05434	4.9
117.05750	1.5
117.07002	3.2
118.06516	61.8
130.06470	3.4
132.08061	12.7
135.93600	0.5
142.06482	5.7
143.07280	10.6
144.08064	22.1
145.06491	0.5
146.05989	100.0
151.92932	0.5
159.09157	11.4
160.07541	1.9
170.05978	9.4
188.07033	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78973	1.1
52.98767	1.0
63.73795	1.1
85.80489	1.3
89.66728	1.2
92.08991	2.7
175.02640	1.5
205.06818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64770	1.2
53.03936	6.5
55.01869	3.1
55.05501	1.7
57.03430	2.8
61.02917	20.0
67.05470	2.0
69.03419	88.1
69.07076	1.6
71.04969	7.7
80.22711	1.4
81.03401	31.9
81.07032	2.8
81.59786	1.6
83.01324	7.2
85.02895	85.9
87.82904	1.7
93.07053	3.6
95.08602	3.3
97.02869	78.3
97.06409	1.4
99.04435	20.7
105.07001	1.7
107.08557	1.9
109.02866	100.0
109.03615	3.6
109.10178	2.3
119.08578	2.4
121.10114	1.5
127.03895	48.9
139.03871	3.7
145.04951	22.1
145.10106	5.8
147.11578	1.6
149.02338	2.5
154.85281	1.4
187.06003	1.9
188.51978	1.5
205.06909	1.7
205.19626	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1229
Annotation	acetyl-d-carnitine
Peak:m/z	Relative Intensity
52.54095	0.2
53.03941	0.2
56.96558	0.8
57.03427	2.3
57.04551	0.3
58.03756	0.3
58.06596	0.8
59.04982	0.3
59.07367	0.2
60.04489	0.3
60.08151	8.5
61.02912	0.9
68.43823	0.2
69.03434	0.7
70.06577	0.9
71.04977	1.5
71.06093	0.9
72.08138	1.1
72.96773	0.2
73.02911	0.3
81.03386	0.3
84.04494	0.4
84.08122	1.6
84.61950	0.2
85.02885	100.0
86.03223	0.2
86.09676	0.2
89.04214	0.3
97.02852	0.8
98.97548	0.8
101.00843	0.3
102.00928	0.2
102.96834	0.3
114.09176	0.2
116.98560	0.3
119.01878	1.4
120.01979	1.0
121.01617	2.0
126.05455	0.3
127.03889	0.2
128.07033	0.3
133.03415	0.9
133.76932	0.2
133.85947	0.2
134.03651	0.3
138.02948	0.4
138.05460	1.1
138.98703	0.2
139.02646	1.3
142.03413	0.2
143.01863	0.2
144.03230	0.2
144.06532	0.3
144.10191	2.7
144.85190	0.2
145.03838	0.3
145.04932	6.4
151.97154	0.2
158.11629	0.2
158.12819	1.3
161.02824	0.3
162.02997	0.3
162.04277	0.4
173.02870	0.3
177.13570	0.2
181.03734	0.5
181.53264	0.2
181.97766	0.3
186.11098	0.3
192.04100	0.2
204.12192	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0865
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
55.01855	0.6
55.05263	0.6
55.05504	11.8
56.05022	0.5
57.03428	3.2
60.04509	0.7
60.08154	6.4
61.02918	0.9
65.76106	0.3
68.99777	0.4
69.03401	0.8
69.07056	0.7
70.06572	8.5
70.09024	0.3
72.08135	81.3
73.02892	1.6
81.03415	0.4
83.50931	0.3
84.04467	1.5
85.02885	61.3
86.02428	0.5
86.09679	3.9
87.00804	10.3
87.09998	1.4
92.08963	0.5
96.04450	0.6
97.02886	1.6
98.06030	31.0
98.98477	0.5
99.04385	0.5
101.00865	0.5
111.39135	0.4
112.07602	1.8
114.05502	1.5
116.07060	7.9
118.08589	0.5
119.01910	1.5
121.01595	0.8
123.04385	0.5
126.05477	0.7
127.03863	0.6
131.01877	0.9
131.17389	0.3
132.10150	0.8
133.03340	0.6
138.05409	0.6
140.07039	48.7
144.06575	0.4
144.10176	0.9
145.04938	3.9
158.08092	100.0
161.02881	1.5
169.04951	0.6
173.02878	1.6
174.03052	0.4
186.07558	1.5
204.08609	1.9
204.12256	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	204.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20842	0.3
54.81480	0.4
55.01865	0.7
56.05007	0.5
57.03432	5.6
58.06586	0.6
60.04510	1.7
60.08154	8.5
61.02919	3.5
65.87141	0.4
69.03416	4.8
70.06569	2.2
71.01315	0.4
71.04967	0.7
73.02581	0.4
73.02911	5.3
73.03266	0.6
75.26579	0.4
80.87574	0.4
81.03397	2.4
81.76034	0.4
82.03481	0.5
84.04497	2.3
84.08132	0.6
85.02892	100.0
86.06065	0.9
86.09707	0.8
89.82919	0.4
95.04966	0.7
96.04486	2.3
97.02864	6.1
98.06026	0.6
99.04427	0.9
100.07654	0.7
101.00878	2.1
102.02383	1.7
103.03927	0.6
103.74342	0.4
109.02898	1.8
111.02897	0.7
112.07597	0.8
113.00935	0.4
114.05540	2.8
115.03901	0.6
119.01915	6.0
120.01987	0.6
121.01642	2.7
126.05497	0.9
127.03915	1.9
130.03764	0.5
131.01875	5.3
132.01988	0.6
133.01714	0.6
133.03438	0.7
137.02914	0.7
138.05516	2.3
139.02716	0.5
140.07072	1.8
141.05447	0.8
143.01883	3.5
144.02032	0.6
144.03227	0.6
144.06564	2.1
144.10185	2.6
145.03484	1.8
145.04921	5.0
149.02974	0.8
151.03804	0.5
153.03909	0.6
155.01904	2.6
157.03461	1.6
158.08127	2.1
158.11742	0.5
161.02916	5.6
162.03035	0.4
168.06543	0.5
169.04947	0.4
173.02930	7.2
174.03064	1.8
175.02660	0.8
185.02837	3.0
186.03079	0.6
191.04044	0.6
191.92619	0.4
200.17654	0.4
203.04073	1.5
204.08675	3.1
204.12259	15.5
205.06798	0.7
212.82205	0.4
219.01105	0.4
221.05070	1.7
223.04729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0867
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
51.83563	0.4
53.03919	0.6
55.05267	0.7
55.05506	14.0
55.40180	0.4
57.03416	2.7
60.08150	6.4
61.02906	2.0
62.03246	0.4
62.82537	0.4
69.03407	1.0
69.07021	0.6
70.06577	10.1
72.08139	86.8
73.02878	1.2
80.37752	0.5
81.03394	0.5
84.04501	1.0
85.02892	77.0
86.09681	3.2
87.00814	10.3
88.80658	0.6
92.01756	0.6
92.09135	0.6
95.04964	0.7
96.04475	0.5
97.02846	1.2
98.06034	31.5
102.05476	0.6
112.07582	1.0
114.05524	1.0
116.07069	8.6
116.51398	0.5
118.08632	0.9
119.01902	0.8
121.01615	0.8
123.04367	0.9
126.05526	0.7
131.01898	0.8
131.82625	0.5
132.10208	0.6
133.10524	0.9
140.07050	53.8
143.01917	0.9
144.10199	1.1
145.04953	5.3
155.01901	0.7
158.08101	100.0
161.03035	0.8
173.02925	1.9
185.02895	0.8
186.07539	2.5
204.08594	1.2
204.12251	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.77806	0.7
53.03925	1.2
53.60426	0.7
54.21400	0.7
55.05505	11.7
57.07062	5.8
58.07394	0.7
61.82656	0.7
67.05144	1.1
67.05493	27.1
69.07053	39.8
77.03860	0.9
79.05478	9.5
80.83447	0.7
81.07040	45.3
81.07529	1.5
83.08620	6.7
91.05457	21.0
92.08837	5.6
93.07020	27.8
95.05000	1.5
95.08584	50.9
95.09200	1.7
96.34516	0.8
103.05479	0.9
105.07011	93.0
107.08582	26.9
109.09379	1.7
109.10136	51.5
115.05438	1.2
115.06176	0.7
117.06984	6.3
119.08558	100.0
120.97884	1.2
121.10126	20.4
123.11679	13.1
131.08563	6.0
133.10103	44.5
135.11687	4.6
135.33324	0.8
145.10083	10.0
147.11670	68.0
159.11624	1.4
160.12459	7.0
161.13231	20.1
175.14835	6.5
185.20894	1.5
202.21637	1.9
203.17923	61.5
203.21938	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	203.1795
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
51.11623	1.2
55.05499	13.2
62.96957	1.3
63.71017	1.3
67.05494	28.6
69.07056	14.0
79.05470	13.1
81.07042	60.9
83.08626	2.8
91.05463	24.0
92.08590	1.9
92.09104	9.0
93.07021	29.4
95.08584	76.6
105.07016	74.0
105.07556	1.4
107.08569	40.3
109.10143	55.5
115.99266	1.5
119.08566	48.6
121.10129	17.5
123.11669	7.9
131.08577	1.8
131.63454	1.5
133.10100	32.8
135.11705	6.0
135.85333	1.4
145.05106	1.5
145.10127	7.6
147.11662	82.6
152.06564	1.5
159.11662	1.7
159.99330	1.5
161.13248	16.2
169.14996	1.5
175.14815	8.4
203.17932	100.0
223.59750	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
50.58382	1.6
53.03920	2.1
55.05499	8.8
56.96527	2.3
57.07063	2.6
57.73002	1.6
61.61247	1.7
67.05492	22.9
69.07049	15.3
79.05473	11.8
81.06595	3.0
81.07037	52.3
82.77248	1.8
83.08619	2.8
87.12247	1.7
91.05437	22.8
93.07021	27.9
95.08585	73.2
102.96863	10.4
105.07017	61.7
107.08582	41.3
108.86718	1.8
109.10143	49.0
112.76760	2.0
119.08562	53.9
120.96515	17.8
120.97880	17.8
121.10112	15.3
121.96608	2.2
123.11694	8.2
125.95382	1.9
131.08566	3.8
132.10292	2.1
132.52965	1.8
133.10095	37.0
135.11673	2.4
135.98796	2.1
138.98924	11.6
143.08559	3.7
145.10127	10.5
147.11658	60.9
156.96176	2.7
156.99930	3.3
160.12454	2.5
161.13161	15.1
175.14818	4.0
179.97847	8.4
188.08324	8.0
203.10583	7.8
203.14294	2.2
203.17932	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	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
67.31877	0.7
76.20159	0.7
82.99815	1.0
89.05627	0.8
92.09040	3.5
100.22913	0.8
101.00867	17.8
115.16129	0.7
119.01899	100.0
134.52844	0.8
137.02928	39.7
142.03482	19.8
160.04521	11.6
161.02922	6.0
179.03984	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	203.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68778	1.3
53.03946	1.3
55.01864	25.3
56.96552	10.6
57.03429	76.6
59.04720	1.9
59.04990	36.8
61.02903	6.7
62.06059	2.4
69.03419	2.8
70.06570	20.3
71.04966	7.1
71.06107	3.2
72.08141	11.1
75.04457	7.6
81.07037	1.8
83.01309	1.7
84.04496	2.7
84.08119	7.3
85.02884	9.8
85.06509	1.9
85.27886	1.3
86.06046	1.6
86.09695	10.4
87.04438	5.8
88.08731	2.4
89.02375	1.7
95.01283	1.9
97.02863	25.8
98.97576	8.6
101.00849	25.9
102.00919	3.1
102.09163	8.7
102.96882	2.6
103.02390	1.7
105.97437	1.6
116.07040	3.1
116.98614	2.5
119.01900	100.0
120.01962	39.2
120.96491	3.4
120.97869	1.9
121.01603	2.1
124.58731	1.7
127.03922	2.6
128.91852	1.3
129.10217	2.0
131.01871	3.5
131.60704	1.5
132.10217	1.7
133.03438	29.1
137.02928	33.4
138.03004	17.5
138.10898	1.4
141.01872	2.1
142.03557	1.5
143.01859	5.5
143.03557	11.2
149.02930	2.7
151.04507	16.4
156.10161	1.9
161.02924	22.1
161.04593	6.9
171.02847	28.1
173.02872	5.4
177.00735	1.9
179.03963	8.0
180.04033	11.8
191.03987	24.9
202.17900	5.6
203.03868	3.4
203.05519	7.9
203.07547	1.6
203.15080	2.7
203.18277	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03929	2.0
55.05490	8.5
56.96555	18.4
57.07059	3.0
59.93091	8.0
63.95341	1.4
63.95684	1.4
67.05495	22.6
69.07043	10.8
70.02933	2.0
77.94126	5.8
79.05462	23.5
81.07035	51.6
83.08600	1.5
85.06551	1.5
91.05467	30.4
93.07020	42.6
95.04963	2.8
95.08581	30.2
95.95188	2.0
98.97577	21.0
99.97884	7.3
100.97141	2.4
100.97962	1.6
105.07011	59.2
107.08569	47.5
109.06490	2.1
109.10156	11.9
114.05499	3.2
116.98594	18.3
117.07008	23.6
117.98926	10.2
118.95893	2.9
118.96738	75.3
118.99042	2.6
119.01852	2.8
119.08564	32.8
119.96795	1.7
121.10109	15.8
129.06972	8.0
130.07739	15.1
131.08556	50.9
133.10117	17.5
133.99066	11.8
134.99638	21.3
135.99954	6.8
136.67635	1.4
136.95421	3.3
136.99228	2.3
137.02863	1.7
143.08525	12.5
144.06158	7.5
144.09312	17.7
145.10097	100.0
146.10873	3.4
150.95700	3.7
153.00664	7.7
154.59038	1.7
154.96426	22.8
155.00105	1.8
157.10109	9.5
158.10910	9.0
159.11662	94.3
160.04556	5.7
171.11639	3.5
172.97446	8.3
173.13231	19.9
177.98038	39.0
178.05643	2.4
186.13998	6.4
201.16354	79.3
209.42641	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
55.05498	5.8
57.07066	1.4
67.05497	12.6
69.07046	5.6
71.04957	0.9
79.05471	12.3
81.07040	16.5
83.08585	1.5
85.06510	1.0
86.24769	0.9
91.05472	19.7
92.08810	2.1
92.09308	1.1
93.07024	25.8
95.08596	18.9
98.97549	0.9
99.08022	1.0
105.07020	38.6
107.08585	27.6
109.06475	1.7
109.10150	9.8
115.05470	1.2
116.98613	0.9
117.07005	15.0
118.96764	2.0
119.08566	19.0
121.10120	8.1
123.11702	1.5
128.06183	1.0
129.06975	4.1
130.07785	9.7
131.08553	42.2
133.10121	7.4
142.07724	1.0
143.08562	7.0
144.09315	6.1
145.10112	100.0
146.10852	1.6
147.11676	3.6
157.10077	3.9
158.10898	4.9
159.10350	1.6
159.11673	41.1
171.11658	1.1
173.13246	22.2
186.81126	1.1
201.16362	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	alpha-Calacorene
Peak:m/z	Relative Intensity
52.22558	0.5
55.05490	1.5
57.07053	2.5
60.50927	0.6
63.37896	0.7
65.09470	0.6
66.82034	0.6
67.05485	7.8
69.07035	3.1
71.08604	2.5
79.05482	6.2
81.07034	11.7
88.85625	0.6
91.05457	10.7
92.08961	0.6
93.07014	11.5
95.04945	0.8
95.08578	10.8
105.07004	27.4
107.08565	16.8
109.10105	3.1
115.05373	1.1
117.06993	10.0
118.96689	0.7
119.08557	13.6
121.10094	8.6
129.06976	3.1
130.07751	8.8
131.08533	28.3
133.10100	5.8
135.53532	0.7
135.89143	0.6
137.79738	0.7
140.12332	0.7
143.08548	4.2
144.09273	4.2
145.10098	100.0
146.10910	0.7
147.11633	0.9
157.10114	2.8
158.10884	3.6
159.11658	36.2
159.12958	1.5
173.13213	10.3
186.14026	0.8
201.16335	37.0
218.17810	0.6
219.00266	0.7
219.38922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60175	0.4
60.04506	0.7
70.44995	0.5
87.61970	0.5
91.27467	0.5
92.09058	0.9
98.97579	1.3
100.02529	0.7
113.43107	0.5
116.98557	0.9
119.01911	5.4
120.01943	0.7
132.01907	0.6
137.02971	2.2
137.99686	2.6
138.96400	2.1
146.52371	0.5
149.99655	1.1
156.97456	75.1
159.00214	2.7
174.98503	100.0
175.98630	0.7
177.00955	0.7
198.00049	0.7
198.18494	3.1
198.98561	5.8
199.18825	0.7
203.00867	0.7
215.96568	0.6
216.99557	26.1
219.01945	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1636
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
55.05494	1.6
57.07054	4.3
67.05497	9.2
69.07030	5.2
71.08611	1.5
75.68953	0.8
79.05462	6.1
81.07037	9.1
83.08614	0.9
88.41044	0.8
91.05455	9.1
92.09089	4.0
93.07025	14.1
93.28287	1.0
95.08582	10.4
98.97564	1.8
103.05450	1.3
105.07011	31.7
106.74757	0.8
107.08573	11.0
109.10123	9.5
114.05501	1.1
115.05411	1.3
116.98600	1.5
117.07002	16.5
117.98965	1.3
118.96738	6.8
119.08556	25.6
121.10126	6.3
128.06184	0.8
129.06979	3.7
130.07756	10.1
131.08536	40.4
133.10117	6.9
133.99043	1.2
134.99612	0.9
143.08534	9.2
144.09296	8.8
145.10103	100.0
146.10866	1.5
157.10072	4.2
158.10876	12.4
159.11667	41.9
171.11617	2.0
173.13217	70.7
177.98029	1.6
186.14003	1.5
201.16348	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1535
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
53.03948	1.1
55.01848	4.6
55.05507	43.8
57.03421	2.5
57.07059	2.4
60.32267	1.0
67.05490	34.7
67.62205	1.1
69.07056	28.5
70.95835	4.8
71.04968	8.6
73.02901	7.5
73.06556	1.5
79.05470	19.3
81.07040	82.9
83.04960	6.4
83.08603	21.4
85.06539	10.1
91.05463	19.4
92.09220	5.1
93.07026	26.1
95.04954	5.2
95.08583	100.0
97.06532	14.1
97.10151	7.2
99.08047	1.9
102.84907	1.2
105.07014	25.9
107.08564	10.7
109.06521	6.1
109.10136	7.3
111.08093	4.5
111.98479	1.4
119.04888	1.3
119.08569	34.9
121.10098	10.4
123.08047	6.7
125.05950	6.3
127.07523	1.3
132.95830	5.7
133.10115	22.9
135.11670	20.1
137.09586	1.9
137.13255	14.8
141.05467	2.0
150.96855	10.5
151.03894	60.5
151.04999	3.9
151.07619	1.1
161.13214	53.3
173.98460	4.7
179.07028	7.2
179.14294	26.1
180.70236	1.4
197.08067	2.1
197.13612	1.2
197.15286	9.7
198.18581	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	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.01865	1.5
55.05485	2.5
59.04972	3.5
64.81649	1.5
67.05501	11.4
67.12931	1.5
69.03418	2.7
69.07040	6.5
70.95838	2.8
73.25240	1.3
79.05459	10.4
79.52610	1.4
81.07019	14.7
85.06516	8.5
89.46301	1.3
89.52028	1.4
91.05457	24.3
92.08633	1.3
92.09162	3.1
93.07017	32.4
95.04941	14.2
95.08588	10.8
105.03413	1.6
105.07008	49.4
107.08568	93.7
109.06490	12.4
109.10126	9.4
117.06997	1.9
119.04917	3.2
119.08558	17.0
121.06475	8.4
121.10097	2.0
123.04441	1.8
123.08010	3.0
123.11684	6.7
131.08537	6.4
132.95813	3.3
133.10101	100.0
133.28656	1.5
135.08069	2.4
135.11668	54.7
137.05931	8.2
137.09601	7.1
137.14330	1.7
141.06947	1.5
143.08502	2.3
150.96866	8.5
151.11162	6.6
155.97359	1.5
161.09570	34.4
173.98422	2.4
179.10634	92.1
179.14198	7.0
180.60730	1.7
197.11685	64.8
197.15363	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	197.1172
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
53.03944	1.0
55.01865	12.6
55.05505	16.8
62.55377	1.0
67.05492	1.9
69.03411	2.0
69.07061	1.5
70.95842	2.5
71.04984	1.3
72.66033	1.0
72.93748	1.6
79.05462	7.6
81.06609	2.0
81.07044	41.5
85.06525	2.1
88.96896	1.2
91.05457	2.7
92.09177	3.5
93.07012	7.3
95.04938	5.8
95.08572	6.2
97.06495	7.1
99.04423	7.7
105.03381	21.9
105.07027	8.3
107.08576	2.7
109.06509	16.2
109.10112	8.4
111.04467	1.4
111.98470	4.1
119.08537	2.7
121.06524	1.6
123.11652	1.1
123.37885	1.1
125.05981	54.3
127.03899	19.7
129.99496	2.0
132.95821	7.7
133.10115	6.9
135.11690	1.5
137.05960	100.0
137.09586	11.4
143.08537	2.2
150.96884	15.8
155.97455	1.8
161.09621	8.9
161.64473	1.2
163.27228	1.1
173.98476	6.4
179.10638	14.7
196.34741	1.4
197.11687	11.2
210.09871	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	1135-23-5
Peak:m/z	Relative Intensity
54.81583	0.3
55.93503	0.3
58.27614	0.3
65.03935	1.4
67.05447	0.3
69.15645	0.3
70.21014	0.3
70.95850	9.0
72.93769	4.1
79.05478	1.0
81.07063	0.6
88.96889	1.6
90.94805	1.8
91.05469	21.8
92.08942	0.9
94.04155	2.4
95.04961	0.6
97.02859	0.8
105.03358	0.6
107.04936	1.5
107.26585	0.3
109.06536	0.7
111.98479	6.7
113.96367	0.7
119.04929	30.1
120.08038	0.5
122.03633	13.2
123.04410	0.4
129.99480	4.4
132.95822	13.8
133.02800	1.6
136.05103	0.4
137.05965	100.0
141.70526	0.4
147.04398	31.9
150.96870	27.5
151.07503	0.7
154.90755	0.7
155.97426	4.7
167.07031	0.8
168.97946	0.8
172.21825	0.4
173.98465	12.8
179.06996	4.2
196.91847	0.9
200.99051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
54.81826	1.4
55.05505	3.2
57.07055	2.1
59.04977	1.8
64.98075	1.3
67.05493	6.4
69.03410	2.3
69.07055	1.8
79.05460	9.3
81.07029	9.8
85.06511	2.1
91.05463	21.6
92.09175	7.2
93.06462	2.6
93.07026	34.5
95.04928	9.5
95.08549	3.1
97.50603	1.7
105.07017	44.4
106.98887	1.6
107.07870	2.9
107.08582	86.4
109.06505	11.4
109.10130	10.1
118.07724	1.6
119.04906	2.6
119.08554	11.2
121.06487	8.0
123.04411	3.2
123.11668	2.9
127.68941	1.5
131.08537	2.8
133.10110	98.8
135.08035	2.0
135.11679	51.4
137.05939	6.0
137.09573	3.1
150.96852	6.3
151.11156	7.7
161.09593	45.7
173.98503	1.8
179.10646	100.0
197.11699	76.1
197.13516	1.9
202.01920	1.4
213.15416	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
55.01857	4.1
55.05506	36.8
57.07061	10.5
58.39792	1.8
59.93172	1.3
67.05495	14.0
69.03418	12.2
69.07055	75.1
69.52000	1.6
71.04965	10.6
79.05464	16.7
81.07040	55.4
83.04927	2.1
83.08597	21.5
85.06523	4.0
89.03912	3.2
91.05450	9.4
93.07023	36.5
95.08584	82.9
97.10126	13.8
99.08070	31.7
101.62221	2.1
105.06994	4.0
107.04958	3.5
107.08578	72.4
109.10136	21.9
111.08079	18.0
111.11697	2.9
113.09640	3.1
117.03349	8.5
118.55993	1.9
119.08531	2.5
119.74306	1.8
121.10118	98.2
123.08044	2.9
123.11705	4.1
125.09624	23.6
135.11670	28.8
137.13231	40.4
139.11131	3.0
145.02840	8.3
149.05928	2.4
149.13261	8.1
177.05421	13.5
177.16345	100.0
195.17336	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03940	3.0
54.48030	1.5
55.01846	2.3
55.05515	16.0
57.03412	1.7
57.07054	2.5
57.54119	1.6
65.03930	2.3
67.05490	51.0
69.07056	20.2
71.04961	12.0
74.16708	1.8
74.30904	2.1
79.05045	3.4
79.05473	50.8
81.07035	88.0
83.04921	3.5
83.08603	2.9
85.02872	2.3
85.06513	8.6
89.03894	11.5
91.05465	28.7
91.32761	1.8
93.07021	100.0
95.04904	3.9
95.08590	56.6
97.06512	12.0
105.03397	2.2
105.07005	14.8
107.04922	21.4
107.08571	38.8
109.06499	4.7
109.10141	4.0
111.08046	4.3
117.03358	28.1
117.06997	13.4
119.08552	3.2
120.37193	2.5
121.06474	12.6
121.10119	16.4
131.08589	16.3
133.02814	2.5
133.10104	12.5
134.03632	4.4
135.04396	8.0
135.08017	12.8
135.11667	65.0
139.03999	2.2
145.02835	38.1
149.05930	13.4
149.13251	10.9
149.97144	4.6
153.09174	2.3
154.70793	2.0
159.11650	15.0
163.03857	17.2
177.05437	37.0
177.12737	25.7
177.16292	4.8
195.13760	16.3
195.15352	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.00313	1.7
53.03938	2.5
55.01858	1.7
55.05508	26.3
56.96570	1.7
57.03435	2.4
58.04909	1.3
62.47477	1.3
67.05498	26.9
67.96937	1.3
69.07058	25.0
71.04980	16.4
72.27079	1.2
76.08633	1.3
79.05483	35.8
81.07034	34.7
83.08597	1.4
84.68758	1.4
85.06541	10.0
87.60792	1.5
91.05463	41.6
92.08807	9.8
93.07025	100.0
95.04951	26.4
95.08584	86.5
97.06524	1.6
97.66267	1.4
100.93159	1.4
103.05470	2.5
105.07014	21.1
107.04981	2.2
107.08570	31.4
109.06531	13.7
109.10171	10.6
110.99313	1.3
111.08091	2.3
113.09608	1.6
115.05451	1.6
117.06994	17.3
119.08562	76.0
121.06490	9.9
121.10076	1.7
129.07011	6.4
130.07764	2.4
131.08543	20.5
131.96089	3.2
133.10107	7.8
135.04402	1.8
135.08075	6.6
135.11627	12.5
137.09601	58.6
144.09392	3.4
149.13255	2.8
149.97141	1.9
153.48891	1.6
159.11664	40.8
163.03874	27.4
177.05415	1.7
177.12691	12.1
195.13782	1.7
196.97682	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.90226	1.2
53.03918	1.8
54.00109	1.3
55.01864	6.1
55.05502	16.7
57.07049	2.7
59.61975	1.5
67.05491	43.6
67.95768	1.5
68.01964	1.6
69.03401	1.9
69.07046	14.1
71.04979	12.6
73.28271	1.6
76.55874	1.7
79.05472	48.4
81.07034	82.9
83.04930	2.9
85.02868	2.8
85.06517	8.9
89.03887	10.9
91.05458	32.0
92.08640	1.8
92.09156	3.8
93.07018	100.0
95.04945	8.6
95.08580	51.4
97.06503	10.4
103.05411	2.8
105.07001	10.7
107.04939	19.1
107.08569	40.5
109.06476	4.1
109.10126	7.5
111.08069	3.2
116.98541	1.7
117.03358	22.5
117.06980	9.1
119.08582	6.3
120.07991	1.6
121.06438	15.6
121.10134	12.2
131.08524	14.1
133.10117	15.0
134.03613	2.4
135.04367	6.9
135.08022	10.7
135.11658	66.8
137.13197	2.2
145.02820	29.7
149.01257	1.7
149.05951	11.6
149.13237	12.9
151.11221	2.0
159.11658	20.5
163.03905	13.2
177.05443	23.2
177.12721	25.7
177.16364	3.5
183.50162	1.7
195.10155	3.4
195.13756	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	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
60.26230	0.9
69.07055	1.0
78.04700	1.3
79.05460	4.4
81.07052	1.5
84.48000	1.2
89.03898	37.8
91.05464	4.9
92.08788	1.2
92.09274	1.2
93.07004	1.7
95.04958	5.1
97.02858	2.1
98.97581	1.3
103.05448	1.9
105.03364	27.5
106.04176	1.3
107.04928	4.2
107.08603	2.1
116.98582	1.2
117.03357	79.9
119.01878	1.3
121.06476	4.7
131.80785	1.0
134.03612	10.8
135.04387	9.4
135.07947	1.1
137.78275	1.0
143.01926	2.4
145.02824	100.0
149.05966	33.3
161.02956	5.5
162.03120	3.9
163.03822	11.9
177.05431	99.3
199.04474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1014
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00259	0.5
53.03932	0.9
54.30866	0.4
55.01843	2.0
58.98718	0.5
62.06684	0.5
65.03896	0.7
70.15940	0.4
77.03889	0.7
79.05046	0.9
79.05467	13.5
81.07033	0.8
84.22777	0.6
89.03895	0.6
91.05457	10.2
92.08919	2.1
93.07011	0.8
93.08167	0.5
95.04935	4.7
103.05453	13.2
105.03368	1.3
105.06371	0.8
105.07018	14.8
106.04150	1.0
107.04936	100.0
107.08544	0.8
109.06508	0.7
115.05439	9.7
117.03374	1.1
117.06966	2.1
119.04906	0.7
120.05702	2.4
123.04420	2.5
124.05150	2.2
125.05965	0.9
135.08029	23.7
137.05986	1.3
139.03877	1.2
145.02792	2.2
147.04419	2.2
148.05098	0.7
149.05975	1.0
151.03828	0.7
152.04597	0.6
154.06223	6.8
163.07510	24.0
164.82803	0.6
165.05443	2.1
167.07001	33.2
177.05424	2.5
180.07780	8.0
195.10126	29.4
202.02339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10817	0.4
53.03952	0.6
55.01863	0.9
55.05506	2.8
56.05029	4.0
57.03440	2.1
57.07072	0.6
60.04517	100.0
62.73321	0.4
67.05489	5.3
68.05016	0.8
68.99789	0.7
69.03423	3.1
69.07058	5.0
70.03777	0.7
70.06570	0.7
71.01349	0.5
71.04980	5.9
72.04491	1.0
74.06069	2.3
79.05486	3.7
80.05020	1.9
81.03413	2.3
81.07040	5.9
82.06566	0.7
83.04988	1.1
85.02893	0.9
85.06529	4.3
89.94585	0.5
90.05554	0.9
91.05476	0.9
92.08773	0.9
92.09253	0.8
93.07038	4.2
94.06563	1.0
95.04980	2.9
95.08572	6.4
95.09007	0.4
96.08095	0.8
97.02895	0.8
97.06514	4.4
99.04423	0.9
99.08055	4.7
104.08062	0.5
105.07011	0.8
107.19392	0.5
110.09701	0.7
111.08094	3.0
112.01122	0.5
112.04796	0.8
113.06020	2.3
122.09652	1.1
123.08081	3.4
128.10699	5.2
130.02216	1.0
131.72931	0.6
140.00589	0.6
140.10713	3.1
141.09120	2.3
147.80197	0.5
149.06143	0.6
158.11748	6.1
159.06532	1.8
176.12823	4.1
183.50183	0.5
194.13855	22.3
194.15334	1.9
204.38054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.6
53.96837	1.5
55.05503	31.2
57.07066	4.1
59.40257	1.5
63.76511	1.8
67.05494	33.0
68.98452	1.7
69.03404	12.2
69.07050	22.8
71.04954	2.8
71.67827	1.6
75.71450	1.7
79.05487	13.8
81.07038	44.5
83.04963	10.7
83.08610	13.5
85.06538	2.9
89.37370	2.1
91.05463	18.5
92.09150	3.7
93.07029	25.6
94.12624	1.7
95.04947	3.8
95.08582	54.6
97.10156	2.0
104.36662	1.8
105.07026	36.2
107.08578	42.9
109.06539	16.7
109.10143	99.8
111.08065	10.3
115.05415	2.8
119.08565	69.9
119.09389	2.5
120.09355	3.7
121.10114	54.0
122.07231	3.6
123.08044	69.8
123.11684	12.4
133.06474	7.3
133.10114	39.2
134.10432	2.6
135.11674	100.0
137.09595	52.5
138.10399	10.9
139.11172	3.0
147.11618	3.9
149.13266	17.1
151.11116	2.5
151.14807	9.5
161.05988	8.0
165.02501	2.0
165.16386	2.1
169.99144	2.0
175.14798	41.3
193.15829	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03941	2.3
55.05508	31.6
67.05484	36.1
69.03403	8.7
69.07053	24.1
71.11008	2.0
79.05479	14.2
81.07043	43.5
83.04987	16.8
83.08605	9.3
91.05477	19.4
92.08795	2.9
93.07027	18.5
95.04926	2.6
95.08581	62.3
105.07008	30.8
107.08571	59.5
109.06515	16.6
109.10142	100.0
111.08060	4.7
119.08563	68.3
120.09350	3.1
121.10114	55.9
123.08038	75.5
123.11685	11.2
133.06459	9.6
133.10098	37.6
135.11664	85.6
137.09595	51.7
138.10384	5.0
139.11188	4.9
147.11682	3.4
149.13228	14.6
151.11172	2.8
151.14818	5.2
161.05864	3.0
171.66423	2.2
171.74107	2.1
175.14810	41.8
193.15822	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
52.49051	0.8
53.03893	0.8
53.24577	0.8
55.05504	12.1
57.07069	7.2
65.03904	1.4
66.42390	0.9
67.05495	16.8
67.41306	0.9
67.86681	1.0
69.06787	0.8
69.07061	14.5
71.04978	1.6
78.16613	0.8
79.05481	14.2
81.06602	1.2
81.07037	19.0
83.04970	1.8
83.08598	2.2
85.06525	2.5
87.17725	1.0
91.05457	17.2
92.08660	1.8
92.09230	3.3
93.06486	1.5
93.07024	24.5
95.04945	2.0
95.08012	2.0
95.08587	36.0
97.33786	1.0
99.08063	5.2
103.05472	1.3
105.07019	32.6
107.04898	1.6
107.08576	38.5
109.06499	4.2
109.10142	34.8
117.06989	2.0
119.07711	2.2
119.08564	68.4
121.10134	10.5
123.08026	5.8
123.11689	4.7
131.08534	4.1
133.06433	5.6
133.10106	100.0
135.08063	1.6
135.10645	1.8
135.11668	41.8
137.09608	9.6
145.10071	4.6
147.11674	17.7
149.13222	6.6
151.14784	4.9
160.12436	2.5
161.05939	2.3
165.09064	1.2
173.13162	1.7
175.14792	73.1
193.08606	1.4
193.15840	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	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03936	3.5
55.01871	1.8
55.05496	5.4
56.96531	0.8
57.03429	100.0
57.07046	0.9
57.90765	0.7
65.03913	0.9
67.05498	16.6
69.03415	1.3
69.07057	1.8
71.97242	1.0
75.04458	4.5
79.05466	12.1
81.03394	16.3
81.07034	7.2
83.04947	0.8
84.18707	0.8
85.06533	6.9
91.05465	54.8
92.09162	3.2
93.07027	40.1
95.04955	20.4
95.08579	1.8
97.06480	1.0
103.05441	5.2
105.07012	25.6
107.04938	4.9
107.08573	3.4
109.06509	2.1
109.10157	6.2
115.05424	1.6
117.07004	11.2
119.08561	51.7
121.06487	26.2
129.06979	4.4
131.04903	1.1
131.08527	1.7
132.05727	1.1
133.06487	10.2
133.10094	12.3
135.08032	2.0
135.11617	1.0
137.09619	8.0
142.07767	4.6
145.06458	3.8
145.10146	1.4
146.07254	8.0
147.08031	19.4
147.11687	12.6
157.10077	2.1
160.08820	2.0
161.05978	1.0
175.11159	14.4
175.14879	0.9
193.12173	1.0
193.15778	0.9
203.38007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
54.16018	1.0
55.05499	12.9
57.07053	2.6
67.05505	10.8
69.07051	35.7
79.05472	10.7
81.07029	11.2
83.08598	11.2
85.09188	1.3
91.05452	2.9
92.08733	10.2
92.09380	5.4
93.07021	41.1
95.04943	1.5
95.08581	57.0
97.09229	1.2
97.10149	4.8
99.40395	1.2
105.06998	6.9
107.08579	46.9
108.90484	1.9
109.06519	1.5
109.10131	24.7
111.11697	2.3
116.49832	1.1
119.08451	1.6
121.10118	58.2
123.11654	5.6
133.10100	1.8
135.11670	51.7
149.01205	2.1
149.13228	8.1
191.17903	100.0
202.30429	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0707
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
53.03931	3.9
55.01862	18.6
55.05508	14.8
57.03182	2.0
57.03431	37.1
59.04985	9.2
60.04514	3.5
61.02910	14.2
65.14209	1.4
67.05488	2.5
68.99776	72.7
69.03419	70.4
71.01324	12.8
71.04974	2.9
73.02897	42.0
75.04424	2.8
81.03401	22.5
83.01311	2.9
83.04618	1.3
83.04978	23.7
85.02888	52.3
87.00812	16.9
87.04449	32.3
92.08637	4.5
92.09251	9.0
93.03386	2.9
95.01325	2.0
95.04937	10.4
97.02878	29.3
99.04436	3.9
101.02354	2.4
101.05995	2.7
103.03854	1.6
105.07018	2.5
111.00784	42.3
111.04428	82.5
115.00278	6.8
115.03907	37.4
119.01880	3.2
119.04903	1.8
125.02259	2.9
127.03058	1.7
127.03906	10.6
129.01813	100.0
129.05429	14.7
129.53542	1.6
133.04904	16.8
139.00250	47.6
139.03867	17.8
146.05988	2.6
147.02902	3.6
147.06381	12.2
157.01305	28.3
157.04869	2.8
170.02972	2.1
173.05318	1.8
174.03302	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
54.81496	3.1
55.05491	13.9
62.44017	2.4
64.36754	2.2
67.05476	5.6
69.03416	6.0
69.07061	21.1
71.04969	19.0
79.05467	18.7
81.07040	23.0
83.08598	4.4
85.06545	6.8
91.05476	23.2
92.09148	6.5
93.07028	38.5
95.04948	12.3
95.08578	34.0
97.06492	21.1
105.07012	55.8
107.08579	72.5
109.06506	17.6
109.10141	4.4
116.06218	3.2
117.07016	11.8
119.08549	30.8
121.06474	2.7
121.10123	40.8
123.08049	5.4
124.52397	2.9
131.08551	28.4
133.10110	83.1
135.08026	27.4
135.11685	3.4
143.08511	10.0
144.09344	2.6
145.10088	19.7
145.60466	2.5
147.11655	22.9
149.09654	4.0
149.13214	16.3
156.80980	2.6
158.10909	10.8
163.14822	10.5
173.13222	29.9
191.14265	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05505	2.6
56.86029	0.9
61.63477	1.0
66.22314	1.1
67.05497	3.8
69.03423	8.8
69.07038	5.7
69.44744	0.9
74.46043	0.9
79.05461	6.1
81.07047	5.0
91.05454	8.1
93.07036	5.3
95.08602	5.9
105.06989	11.7
107.08583	18.6
109.06512	1.2
109.10139	6.1
117.06986	1.5
119.08537	5.3
121.10105	11.7
122.07299	2.5
131.08527	8.1
133.10103	100.0
135.08041	6.4
135.11630	1.7
137.09583	21.0
143.08623	1.8
145.10114	4.2
149.09596	1.6
149.13242	7.2
173.13214	11.1
179.69614	1.1
182.59445	1.3
191.14256	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	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.87307	1.3
54.81792	1.4
55.05503	13.2
61.42429	1.5
66.01225	1.4
67.05475	8.6
69.06717	2.3
69.07056	35.8
79.05460	10.2
81.07022	10.5
83.08607	11.0
83.95661	1.5
91.05422	1.9
92.71043	1.7
93.07018	51.2
95.08012	3.2
95.08582	70.0
97.10129	7.1
105.07009	3.9
107.08574	54.2
109.10129	28.8
119.08558	2.3
121.09265	2.7
121.10118	66.7
123.11646	3.2
131.08612	1.7
135.11671	42.0
149.13213	13.0
179.84875	1.7
191.14279	2.0
191.17902	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05495	5.4
55.28041	0.8
56.81428	1.0
57.07059	1.2
58.62762	0.9
60.95900	0.9
62.61459	0.9
67.05508	4.2
69.03406	6.4
69.07070	1.4
79.05470	7.3
81.06597	1.0
81.07043	6.3
91.05433	7.7
92.08899	8.4
92.09444	2.0
93.07030	7.4
105.07016	18.0
107.08555	19.4
108.02634	1.0
109.06522	1.1
109.10155	4.3
119.08535	2.2
121.10100	12.6
122.07256	6.1
131.08546	4.5
133.10104	100.0
135.08031	1.8
137.09583	18.4
145.10172	1.8
149.13234	8.2
151.13632	1.2
158.10910	1.6
171.08537	1.2
172.26312	1.2
173.13242	2.4
191.14212	7.4
194.65646	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
54.24427	1.7
55.01867	2.3
55.05505	20.7
55.59863	1.8
57.03421	2.4
57.07067	2.4
61.20127	1.8
67.05492	13.4
69.03416	14.6
69.07058	17.1
69.58180	2.3
71.04984	3.5
79.05476	26.0
80.54783	1.9
81.07037	29.8
83.04961	10.4
83.08573	2.7
91.05461	30.2
92.08917	4.8
93.07014	52.7
95.04926	9.4
95.08591	37.7
97.06518	13.3
105.07012	53.8
107.04945	24.6
107.08578	100.0
109.06464	22.8
109.10126	7.6
111.08067	4.2
113.13538	2.3
117.07012	3.9
119.08566	32.3
121.06483	51.7
121.10124	88.3
123.08035	21.0
129.07007	3.7
131.08531	51.4
133.10117	57.5
135.08057	31.1
135.11659	4.7
143.08571	5.0
144.09253	4.0
145.10086	23.5
147.11650	23.5
149.09601	41.1
149.13217	18.6
158.10910	12.7
163.11147	4.0
163.14786	17.7
173.13220	54.1
191.14268	100.0
191.17931	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.97828	1.5
55.01851	10.1
55.05499	2.8
64.61059	1.7
67.05497	3.4
69.03419	1.8
69.07059	33.6
73.69733	1.6
78.15286	1.7
79.05462	9.5
81.07023	4.5
91.05441	17.8
92.09141	8.5
93.07023	37.4
95.04936	2.4
95.08581	8.4
103.87702	1.9
105.07015	20.1
107.08582	27.6
117.07008	2.6
119.08558	14.7
121.06499	26.6
121.10107	19.3
122.06456	2.1
123.08038	3.3
131.08562	11.3
133.10114	22.2
135.08018	15.8
135.11642	7.5
137.92247	1.7
143.08453	2.1
145.10051	2.8
147.11665	51.9
149.09520	3.6
149.13251	21.6
158.10876	3.7
161.09578	12.4
173.13234	16.6
176.11879	2.8
176.91237	2.2
191.14282	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92452	0.9
55.01872	2.0
55.05486	5.2
57.07049	1.5
61.61794	1.0
67.05486	2.3
69.03414	12.2
69.07053	8.3
75.77375	1.2
79.05467	8.1
81.07034	5.4
82.70099	1.0
83.04972	12.9
83.08596	2.8
90.62194	1.2
91.05456	11.6
92.09171	3.7
93.07028	9.0
95.08575	2.7
105.07012	12.9
107.08574	39.8
109.06483	2.4
109.10156	2.7
112.76818	1.2
117.06981	1.6
119.08545	10.7
121.06467	5.0
121.10126	11.5
123.07978	2.3
129.06978	1.6
131.08533	16.2
133.10103	24.3
135.08028	10.3
135.11549	1.2
143.08527	6.5
144.09398	1.7
145.10088	5.3
147.11679	7.5
149.09586	5.3
149.13234	5.0
149.44994	1.1
158.10893	7.7
161.09567	6.8
163.14702	1.2
173.13206	17.3
191.14275	100.0
208.36516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34665	1.1
55.05495	5.2
57.03436	2.1
57.07051	1.4
59.02167	1.0
64.45786	1.2
67.05498	2.9
69.03410	2.2
69.07050	7.8
71.04977	2.6
79.05467	7.4
81.07028	10.4
83.04966	2.3
83.08620	1.1
85.06555	1.9
91.05460	21.0
92.08855	5.0
93.07018	13.8
95.04962	2.6
95.08588	10.4
97.06514	5.3
105.07017	51.3
105.07731	1.8
105.10418	1.2
107.08575	27.8
109.06498	2.4
109.10150	2.3
115.05437	1.4
117.07007	8.3
119.08540	21.7
121.02839	1.4
121.06463	2.6
121.10128	13.5
123.08047	4.6
129.06993	6.5
130.07823	1.4
131.08534	38.5
131.09444	2.1
133.10103	100.0
135.08003	8.8
135.11623	1.2
143.08549	7.8
144.09337	5.8
145.10083	22.9
147.11681	11.4
149.09593	2.3
149.13196	14.9
158.10872	15.3
163.14815	2.3
173.13223	48.7
191.14261	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03910	2.7
55.05494	16.6
55.10617	2.3
55.46948	2.0
56.59373	2.7
57.07069	3.9
59.04993	2.7
60.99102	2.2
65.03878	2.3
67.05490	12.3
69.03419	14.9
69.07058	19.7
77.13118	2.7
79.05470	26.3
81.07041	29.7
83.04961	5.2
85.06536	2.9
91.05466	44.6
92.08986	3.1
93.07021	40.1
95.04951	12.3
95.08578	28.6
105.07005	76.5
107.04968	3.0
107.08572	69.9
107.09293	3.7
109.06511	13.1
109.10144	12.8
115.05458	3.0
117.07023	19.2
119.08545	40.7
121.06501	3.7
121.10104	44.7
123.08039	11.4
123.11655	3.2
129.06944	4.2
130.29385	2.6
131.08539	51.1
133.10104	100.0
135.08018	21.2
135.11658	4.1
143.08540	15.9
143.37830	3.0
144.09375	3.0
145.10086	20.5
147.11658	32.0
149.09581	4.2
149.13206	31.1
158.10852	21.0
163.14801	6.6
173.13222	52.9
187.70454	2.9
191.14288	72.7
196.74568	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.38784	1.6
55.05510	2.6
57.03409	3.1
59.04972	1.7
67.05479	4.5
69.07052	9.4
75.33190	2.3
79.05474	11.3
80.60772	2.0
81.07034	9.7
83.08617	1.9
91.05452	24.0
92.08929	4.7
93.07027	19.8
95.04932	3.8
95.08588	10.1
105.07010	61.4
107.08576	59.3
109.06497	3.3
109.10138	3.6
115.05475	2.5
117.07021	4.0
119.08559	35.9
121.10123	26.3
123.08045	2.2
129.06960	3.4
130.07800	2.5
131.08536	43.4
133.10106	100.0
135.08029	8.5
135.11691	2.4
143.08545	16.6
145.10077	20.0
147.11655	15.8
149.13235	28.1
150.62630	1.9
153.49503	2.1
158.10854	19.3
163.14809	3.0
173.13219	57.8
191.14267	31.8
193.58568	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	4.1
62.50777	1.8
66.35165	2.0
67.05477	5.1
69.03415	3.0
69.07049	14.8
77.14074	1.7
79.05471	17.1
81.07026	13.9
83.04964	4.1
83.08624	2.3
84.39320	1.8
91.05453	33.0
92.08707	12.4
92.09327	7.6
93.07024	26.4
95.04931	4.0
95.08572	4.8
97.06526	2.8
105.07001	43.9
107.08572	100.0
110.73267	2.3
117.07000	10.0
119.08554	62.4
121.06541	2.3
121.10119	39.7
123.08012	3.1
129.06984	3.6
131.08542	47.4
133.09114	2.3
133.10095	63.1
135.08055	2.5
135.11694	9.0
143.08542	17.8
144.09326	8.4
145.10121	30.4
147.11665	12.9
149.09605	3.6
149.13239	15.4
158.10881	17.9
163.14771	12.6
173.13220	57.2
191.14253	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19813	1.2
53.50137	1.0
53.52294	1.1
55.05502	13.1
56.96560	1.8
57.07071	3.0
58.76985	1.4
59.86994	1.3
65.03905	1.4
66.08044	1.1
67.05488	9.1
67.61716	1.1
69.03414	6.6
69.07052	9.0
71.04966	2.6
71.67710	1.4
79.05460	14.4
81.07046	11.6
81.56095	1.2
83.04951	2.3
83.08636	1.7
91.05460	29.1
93.07021	13.9
95.04945	6.1
95.08569	9.8
97.06513	1.4
101.20335	1.5
103.05435	3.3
105.03371	9.1
105.07009	85.5
107.08574	42.7
109.06486	2.9
109.10132	2.1
115.05427	2.2
116.06230	1.9
117.06987	5.4
119.08558	56.0
121.06463	3.2
121.10107	12.4
123.08049	5.6
129.06998	5.9
130.07813	1.6
131.08543	48.3
133.10110	55.8
135.08041	9.0
143.08551	7.3
144.09308	2.8
145.10103	28.5
147.11667	100.0
149.09612	2.8
149.13223	6.3
158.10905	7.9
173.13229	30.0
191.10588	2.0
191.14279	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05497	9.8
56.96555	15.6
57.07074	2.0
59.04989	1.9
67.05490	10.1
69.03410	7.0
69.07056	16.8
71.04979	5.9
72.93765	5.7
79.05477	7.8
81.07033	18.0
83.08611	17.6
85.02902	6.6
85.06522	2.1
90.94809	3.4
91.05460	14.7
92.08641	1.5
92.09129	6.4
93.07029	10.4
94.39536	1.4
95.04957	9.4
95.08585	7.2
97.02884	3.4
97.06517	8.3
98.97555	7.0
99.24253	1.4
105.07015	45.0
107.04932	1.7
107.08578	19.6
109.06509	15.9
109.10149	20.8
115.05456	1.5
116.98610	1.8
117.06985	2.5
117.09341	1.2
119.08569	15.2
121.02880	8.4
121.10124	13.8
123.08053	9.0
123.11683	26.9
130.07825	1.5
131.08545	27.1
132.95830	3.1
133.10104	100.0
135.08032	20.8
140.06996	2.0
143.08565	2.8
145.10081	11.0
147.11665	22.2
149.01202	3.5
149.09634	2.0
149.13263	7.8
149.96092	1.9
150.96812	10.6
153.59889	1.5
158.10857	5.5
163.14775	2.2
167.97173	1.9
173.13231	26.8
183.01482	1.5
187.02698	5.2
191.14279	35.5
196.02721	1.5
205.03905	1.8
213.00703	6.3
214.03844	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.05497	8.7
56.96555	2.1
57.07068	1.8
59.04985	1.9
67.05480	7.5
69.03410	3.0
69.07043	11.6
70.69299	1.5
71.04979	2.9
71.98719	1.4
79.05463	15.2
81.07029	14.2
83.04955	1.9
83.08592	3.2
85.06509	2.3
91.05460	29.5
93.07013	17.4
95.04952	2.1
95.08595	8.2
97.06514	3.0
98.97576	1.7
105.07007	59.9
107.08572	36.9
108.26864	1.6
109.06506	2.8
109.10110	2.3
115.05370	1.6
116.06245	2.6
117.06992	6.9
119.08552	43.7
121.10115	22.4
123.08070	6.3
129.06970	10.0
130.07738	2.4
131.07635	2.9
131.08539	55.6
133.10107	100.0
135.08043	10.8
135.11697	1.7
143.08536	17.7
144.09286	12.2
145.10103	38.5
147.11661	31.1
149.09543	2.6
149.13255	12.3
150.96860	2.8
158.10869	24.4
163.14777	3.1
173.13225	66.1
191.14264	31.8
196.68030	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	10.1
67.05476	7.0
69.03405	19.8
69.07051	18.2
79.05460	11.2
79.78354	1.9
81.07034	12.0
83.04971	3.5
88.57243	1.4
91.05451	21.9
92.64082	1.9
93.07023	28.5
95.04940	3.0
95.08574	8.9
97.06493	4.5
103.05440	2.2
105.07006	43.6
107.04963	2.2
107.08581	39.2
109.06498	2.4
109.10159	4.1
117.06944	6.4
119.08534	21.3
121.06474	10.0
121.10117	22.3
123.08076	4.3
128.06207	1.7
129.06982	1.7
130.07748	2.1
131.08546	21.9
133.10104	100.0
135.08022	13.4
135.11691	7.8
137.09586	9.6
143.08482	7.0
145.10117	9.7
147.11641	31.0
149.09579	7.2
149.13254	15.0
158.10895	10.2
161.09557	3.2
163.14711	2.9
164.38567	1.8
173.13197	26.8
176.11816	1.8
191.07033	3.4
191.14252	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64156	2.0
55.01842	2.6
55.05509	17.9
56.96562	2.7
57.03429	1.9
63.34027	1.7
67.05482	11.7
69.03408	13.9
69.07053	21.5
71.04964	2.5
79.05481	28.2
81.07056	26.4
83.04971	10.1
85.06498	2.4
90.91556	2.2
91.05460	34.2
92.09220	3.7
93.07027	42.5
95.04929	11.2
95.08609	26.7
97.06541	3.7
103.05441	2.5
104.53042	2.2
105.07014	63.8
107.08575	100.0
109.06493	10.9
109.10138	9.2
114.37856	2.8
117.06998	11.9
119.08559	42.9
121.06473	4.4
121.10136	37.4
123.08038	5.1
129.06950	4.3
131.08536	36.8
133.10106	77.9
135.08006	13.7
135.11668	9.5
143.08542	10.3
145.10138	21.2
147.11652	21.9
149.09613	8.8
149.13246	32.8
158.10870	15.6
163.14772	9.0
173.13213	40.9
191.14302	51.8
208.71529	2.8
214.97682	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	190.0498
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
50.43462	0.2
54.81850	0.3
56.41141	0.2
62.08791	0.3
63.37233	0.2
66.06931	0.2
69.07069	0.3
69.84710	0.3
72.33845	0.3
86.09685	1.7
89.03893	0.6
92.08812	0.4
111.45954	0.3
116.04960	3.0
162.05473	100.0
190.04955	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	190.0498
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
55.05504	0.5
56.96560	2.0
67.05495	0.3
69.03426	0.9
70.61707	0.2
70.94266	0.3
73.02911	0.3
79.05463	0.3
80.10130	0.2
81.03379	0.4
85.02863	0.8
85.06640	0.2
89.03907	1.1
90.94805	0.4
92.09149	1.1
93.96651	0.3
97.02854	0.3
98.97565	1.4
107.08590	0.5
111.04438	1.2
113.96352	0.2
114.10879	0.2
116.04940	3.3
116.98580	0.9
117.81050	0.3
121.02856	1.6
128.98506	0.2
130.96283	1.0
133.05119	0.3
139.03873	0.2
148.97343	1.4
162.05473	100.0
169.01709	0.3
177.00523	0.3
187.02817	0.4
190.04958	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	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
76.56581	7.5
91.05462	13.9
92.08869	30.2
105.03368	6.9
105.07014	31.6
117.06943	7.6
119.08574	58.2
130.07748	6.9
131.08606	7.4
133.06456	8.2
133.10098	9.0
143.08549	8.5
145.10115	15.3
147.08069	9.3
147.11717	27.9
156.09314	58.3
159.11613	7.1
171.11649	60.3
189.12711	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08414	1.6
55.05492	5.0
60.34938	1.9
62.99643	2.2
67.05494	2.2
69.03410	14.7
69.07042	4.9
79.05466	5.3
81.07047	4.7
83.04961	2.7
91.05470	22.4
92.08993	21.5
93.07024	8.1
95.04926	2.8
102.28144	2.0
103.05418	2.6
105.07018	76.8
107.08564	8.9
110.70282	2.0
117.06990	11.2
119.04906	9.6
119.08557	96.7
121.06593	1.9
128.06209	3.1
129.06917	3.3
130.07762	3.9
131.05774	2.1
131.08534	10.5
133.06453	11.7
133.10075	17.0
135.08008	9.8
141.06985	8.5
142.07738	3.3
143.08565	18.7
145.06453	2.3
145.10150	16.6
147.08035	23.2
147.10603	2.8
147.11668	49.8
155.08525	2.8
156.09332	59.9
159.08023	8.0
159.11620	5.3
160.08752	2.9
161.09581	8.1
161.13213	27.7
171.11655	56.0
174.10384	15.9
189.11121	4.6
189.12726	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
67.05478	1.5
69.03397	2.7
69.07047	1.8
79.05495	1.8
85.36556	1.2
91.05462	14.3
93.07021	1.5
94.73218	1.3
95.04906	1.6
105.06998	27.8
107.08589	2.6
109.06467	1.4
115.05436	2.1
117.06998	7.5
119.08553	36.8
124.16776	1.1
128.06163	5.0
129.06958	6.0
130.07751	10.5
131.08524	10.5
133.06467	6.7
133.10104	6.9
140.30833	1.1
141.06985	12.6
142.07745	1.7
143.08479	8.3
144.09300	1.6
145.10097	31.6
146.10930	1.5
147.08015	9.9
147.10596	2.0
147.11662	32.3
155.08528	2.0
156.09311	75.2
159.08018	12.7
159.11601	12.3
161.13268	1.6
171.11641	56.1
174.10335	9.6
189.12700	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.5
56.09489	2.4
67.05493	4.4
69.03412	4.6
71.99615	3.1
72.39970	2.4
74.30531	2.6
81.07011	10.6
83.04968	3.0
86.67446	2.7
91.05457	17.3
92.08750	6.0
92.09338	6.3
93.07007	4.6
98.36929	2.8
99.05291	2.9
105.07006	30.3
106.38641	2.9
107.08544	3.9
117.07011	6.4
119.08556	52.8
121.10077	3.0
128.06239	4.7
129.06953	4.0
130.07773	5.1
131.08549	14.0
133.06476	6.4
133.10081	13.9
141.06992	12.1
143.08575	11.0
145.10088	29.2
147.08072	6.6
147.11664	38.0
156.09320	81.0
156.51631	2.8
159.08008	14.2
159.11674	5.6
160.08775	4.5
161.09599	4.2
171.11642	47.8
174.10362	21.1
189.12698	100.0
200.85577	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	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.70411	0.6
62.26436	0.8
65.10954	0.7
69.11665	0.8
80.67016	1.0
91.05457	5.9
92.08808	2.8
115.05425	10.1
117.05737	1.3
117.07011	5.8
118.06515	100.0
142.06493	7.2
143.07288	17.9
144.08058	24.3
145.06465	1.3
146.05984	92.0
155.06026	1.7
170.06021	7.8
188.07037	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	189.0393
Annotation	(Z)-But-1-ene-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
55.01866	75.7
57.03177	5.0
57.03431	87.1
58.09030	2.4
58.39931	2.2
61.02914	3.3
71.00974	4.4
71.01340	71.0
71.04978	5.5
72.08141	29.3
73.02908	27.3
75.04488	3.6
78.58528	2.8
83.01324	23.1
84.08128	26.4
85.02879	3.3
87.04453	46.1
89.02354	4.3
95.01270	3.9
101.02363	100.0
111.00817	5.0
113.02340	3.1
115.03918	78.6
126.09139	4.5
129.01830	36.3
157.01320	76.5
171.02768	3.1
171.26619	3.1
175.02396	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	187.1328
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
50.72471	1.0
52.32869	1.0
53.55258	0.9
53.99957	0.9
54.34368	0.9
55.01846	1.6
55.05507	10.5
57.03418	2.9
57.07066	8.9
62.91227	1.1
66.52561	1.2
67.05490	83.1
69.03406	1.9
69.07052	11.8
71.04975	79.1
71.58527	1.0
79.05470	19.4
79.79330	1.2
81.07037	60.9
83.04954	7.0
83.08596	4.0
85.06528	100.0
88.02191	1.4
91.05459	43.6
93.07027	16.5
94.81221	1.5
95.04934	2.5
95.08567	7.6
95.44526	1.3
97.06503	2.0
105.07011	59.3
107.07872	1.8
107.08572	37.8
109.06501	7.8
109.09384	2.1
109.10136	60.0
113.05933	1.2
123.08041	1.7
123.11671	10.5
125.09600	2.0
127.03895	1.0
131.08557	5.3
131.10786	1.1
133.10106	72.0
145.10155	1.7
151.11159	40.5
161.52502	1.5
169.04901	1.5
169.12157	13.2
187.13248	2.1
187.14774	1.7
205.05054	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0605
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
53.03941	0.3
55.01860	0.3
55.05503	0.5
57.03435	0.5
58.03759	0.4
61.02916	1.6
64.33170	0.3
65.03931	1.7
67.14152	0.3
69.03418	6.2
70.03732	2.6
71.04962	0.3
73.02888	0.4
75.10767	0.3
82.06553	0.5
83.04966	1.9
83.57226	0.2
84.05305	1.2
85.02898	1.8
85.59051	0.3
86.03223	0.6
87.04422	0.4
92.04968	2.6
92.08938	1.5
99.04444	0.5
101.00845	3.6
103.03934	0.5
110.06039	1.7
110.07167	0.3
111.04420	0.6
112.04755	0.7
119.01907	19.6
120.04459	2.4
122.02328	0.5
123.06813	1.3
124.03927	0.6
129.05457	0.3
137.02931	8.7
138.03082	0.3
138.05479	7.5
138.09123	2.7
142.03494	2.8
148.03922	100.0
160.04601	0.7
161.02901	0.7
161.04645	0.3
166.04974	81.3
179.03995	1.7
184.06041	13.3
184.09630	2.6
196.71715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1328
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
55.05501	28.0
57.03406	1.5
57.07063	2.7
59.04989	5.8
61.02912	25.1
67.05486	14.2
69.03400	1.4
69.07054	10.9
71.04976	6.2
72.37583	1.0
74.44599	0.9
76.57060	1.4
79.05473	4.6
81.07039	26.0
83.04961	100.0
83.08598	71.3
85.06522	4.5
87.04446	10.2
88.02191	2.2
91.05460	7.1
92.08649	1.4
92.09180	2.5
93.07011	7.2
95.04940	2.4
95.08588	8.5
97.02863	1.2
97.06502	2.0
105.05490	16.8
105.07019	7.6
107.08591	7.2
109.06520	1.6
109.10139	26.2
111.08031	1.5
113.05982	48.2
121.10178	1.5
123.00789	1.1
123.11675	13.2
127.11211	4.1
131.08563	1.9
133.10088	4.8
139.01804	1.3
148.14113	1.1
151.11195	5.4
154.46626	1.1
169.12334	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1327
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
52.95017	0.9
55.05509	13.5
55.95332	0.8
57.03421	4.2
57.07059	6.7
60.39245	0.8
67.05492	78.4
67.39899	0.8
69.03409	1.4
69.07050	12.9
71.04977	79.0
79.05469	21.7
81.07040	72.5
82.22499	0.9
83.04971	6.6
83.08589	1.7
85.06528	100.0
91.05461	46.3
92.08718	2.1
92.09296	2.1
93.07027	17.4
95.04979	4.0
95.08599	7.7
97.06517	4.5
100.22937	1.0
105.07010	53.2
107.08582	42.8
109.06505	10.6
109.10140	71.4
111.08093	1.2
113.05980	1.2
123.08025	4.1
123.11697	9.2
125.09634	1.9
131.08559	2.2
133.10103	73.1
139.11070	1.3
151.11160	39.2
169.12192	18.9
184.04807	0.9
187.13251	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0863
Annotation	D-Sorbitol
Peak:m/z	Relative Intensity
53.03936	2.7
55.01663	0.5
55.01868	7.9
55.05505	13.7
57.03428	21.5
59.04985	0.9
61.02913	16.2
62.45139	0.5
67.05495	1.0
69.03414	100.0
71.01338	0.7
71.04972	6.9
73.02901	6.5
75.04454	0.8
75.04939	0.4
77.46367	0.4
81.03391	8.0
83.04964	32.4
85.02888	26.0
87.04443	8.8
91.03948	2.9
92.08864	0.8
99.04426	9.5
101.06076	0.7
103.03931	6.0
111.04423	16.6
114.36771	0.6
117.05499	1.2
119.01891	0.7
129.05453	12.8
147.06512	4.0
149.01262	0.5
161.46255	0.5
165.06137	0.5
165.07536	1.2
183.08597	0.7
192.26013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0861
Annotation	D-Sorbitol
Peak:m/z	Relative Intensity
53.03939	3.8
55.01864	8.9
55.05506	14.2
57.03429	18.8
59.04979	1.5
60.65995	0.7
61.02914	15.2
64.96288	0.7
67.05481	1.2
69.03414	100.0
71.04967	6.3
73.02911	6.8
75.04453	1.0
81.03397	8.5
81.07030	1.4
83.04964	30.8
83.74642	0.8
85.02891	29.5
87.04427	8.5
91.03937	2.1
92.09120	3.4
95.04977	1.4
95.08588	1.7
96.38939	1.0
97.06501	0.9
99.04427	10.4
103.03936	4.1
111.04412	17.3
117.05479	1.0
123.04397	1.0
129.05444	14.8
147.06502	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	183.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01864	11.3
55.05504	15.9
57.03174	1.2
57.03431	21.2
61.02914	19.2
63.99751	0.7
67.05519	1.3
68.39915	0.7
69.03415	100.0
71.04971	6.3
73.02895	5.8
75.04434	0.9
81.03394	8.0
81.03810	0.8
81.07062	1.0
83.04967	32.3
85.02888	27.2
87.04446	8.7
91.03943	1.7
92.08813	1.5
92.65076	0.9
96.04639	0.9
98.97558	1.1
99.04433	10.9
103.03921	7.0
108.42972	0.8
111.04423	19.9
112.31230	0.9
117.05481	1.1
129.05457	11.2
137.62175	0.8
147.06532	3.7
165.07515	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01620	0.7
55.01863	9.2
55.05501	12.8
57.03143	0.8
57.03424	21.7
57.50751	0.4
59.04999	0.7
61.02594	0.7
61.02910	19.6
65.03915	0.7
67.05484	0.7
69.03412	100.0
71.04972	7.7
73.02898	5.6
75.04463	0.6
81.03394	8.0
83.04960	32.8
85.02883	28.0
87.04442	10.4
91.03923	3.3
92.08975	0.9
99.04424	11.2
99.05031	0.7
101.05988	0.6
103.03912	5.5
111.04411	15.8
117.05482	1.4
119.01895	3.5
129.05447	13.7
137.18652	0.4
141.21396	0.4
142.03499	0.9
147.06482	4.6
160.04491	1.0
165.07587	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.086
Annotation	D-Sorbitol
Peak:m/z	Relative Intensity
53.03937	3.5
53.91680	0.7
54.34459	1.0
55.01868	10.3
55.05505	14.4
57.03427	19.0
59.05009	1.0
61.02919	18.3
62.42005	0.8
67.05494	1.7
69.03418	100.0
71.04971	7.7
73.02895	5.7
75.04459	0.9
79.59781	0.8
81.03412	8.1
83.04968	28.4
85.02885	22.4
87.04453	9.2
91.03948	1.7
92.09003	4.8
99.04426	11.5
103.03913	6.4
111.04430	17.5
117.05482	0.8
123.04525	0.9
129.05449	11.2
137.05933	1.3
147.06499	2.0
165.07497	1.6
165.09019	1.3
180.79947	0.9
189.82446	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.0
55.01861	11.7
55.05501	16.3
56.96553	10.2
57.03428	21.7
59.04974	0.6
61.02911	17.6
65.03925	1.5
67.05488	1.6
69.03413	100.0
71.04969	8.7
73.02903	8.0
77.03908	1.1
79.05441	1.1
81.03394	9.3
81.07036	3.8
83.04962	37.7
85.02886	32.3
85.03270	0.6
85.46990	0.7
87.04443	9.7
91.03941	3.4
92.08904	2.7
93.07044	1.6
95.04937	19.3
95.08582	3.4
97.02866	3.3
98.97559	22.0
99.04430	9.9
103.03912	4.9
105.03374	31.3
105.04457	1.2
106.03719	4.2
109.10131	0.9
111.04425	16.0
113.06071	0.7
116.98591	9.1
117.05431	1.0
119.08561	1.3
123.04404	6.9
123.08045	0.9
128.98526	0.8
129.05447	14.9
134.99503	2.2
140.04637	1.5
147.06531	3.5
155.06961	1.2
158.99663	2.7
177.00623	2.7
179.00093	1.0
197.01184	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	181.0493
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03944	0.7
54.81945	0.5
55.05500	1.1
56.96552	14.3
64.56242	0.4
64.64533	0.4
65.03927	0.7
67.05497	0.6
68.55058	0.4
69.03403	0.5
71.95234	1.1
75.55289	0.4
79.05477	5.3
81.68557	0.4
84.08106	0.5
85.02881	0.6
89.03893	22.1
91.05466	2.1
92.08655	0.5
92.09158	2.1
92.47843	0.5
93.07034	0.8
93.67478	0.5
95.04947	2.7
98.97556	100.0
102.96817	0.7
104.12374	0.5
105.35722	0.4
107.04926	6.9
111.04418	0.7
116.98592	87.6
117.02517	0.9
117.03346	24.4
121.06484	1.0
134.99629	56.6
135.04385	49.8
137.05948	2.9
139.03798	0.5
140.00175	1.9
145.02824	24.7
145.03815	0.9
153.00691	10.2
158.01212	3.5
158.99594	0.7
163.03862	91.4
173.72017	0.5
181.02844	1.9
181.04926	2.0
181.08380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0857
Annotation	80638-48-8
Peak:m/z	Relative Intensity
55.01852	0.5
56.96547	3.1
62.21124	0.5
65.03897	0.6
67.05494	0.7
72.33487	0.5
78.04675	3.2
79.05459	3.5
80.06264	0.6
81.03415	0.6
81.07038	1.2
83.04932	0.6
83.81784	0.6
86.45090	0.5
89.03904	1.1
90.04671	2.3
91.05462	9.8
92.06255	0.7
92.08768	2.7
95.04954	5.2
98.97556	21.9
105.03391	1.2
105.06357	0.6
105.07013	0.9
106.04121	1.2
107.04922	4.6
107.08500	0.7
108.05693	1.2
109.06487	3.1
116.98598	17.8
119.04919	0.7
120.05707	1.4
121.06477	1.4
121.10136	0.7
122.03643	0.7
123.04398	6.0
134.99614	6.7
135.04387	1.3
135.08130	0.7
136.05165	5.0
137.04994	0.9
137.05954	16.8
138.06743	5.9
148.05170	56.4
149.05916	0.8
151.03854	8.1
163.11189	0.6
165.05403	1.4
166.06200	1.1
181.08557	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	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
55.01858	3.6
55.05490	10.5
57.03421	9.6
57.07050	2.7
62.81779	1.5
62.93137	1.6
66.27142	1.5
67.05198	2.4
67.05492	40.7
68.31773	1.5
69.07042	11.9
71.04970	2.7
78.70840	1.7
79.05470	29.4
80.70445	1.6
81.07037	100.0
83.04972	3.7
83.08614	1.7
85.06529	9.3
91.05464	37.2
92.08704	2.6
93.06482	2.8
93.07023	46.6
95.04902	2.8
95.08585	92.0
97.06508	13.2
99.08070	9.0
105.07018	38.5
106.12115	1.6
107.08566	20.8
109.06503	2.6
109.10147	7.0
110.07410	1.6
111.08035	4.0
117.06985	3.1
119.08557	60.4
119.74783	1.6
121.10133	15.9
122.62624	1.9
123.08044	7.7
126.48099	1.8
131.08589	1.9
133.10109	34.8
135.11661	34.7
151.03827	3.1
161.13225	91.1
166.33508	1.8
179.06874	1.7
179.14273	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
54.53191	0.6
55.01626	1.0
55.01868	17.6
55.33368	0.5
57.03430	17.1
57.07067	0.6
61.02915	7.3
69.03419	57.2
71.04965	1.3
72.04504	2.6
73.02907	9.9
81.03397	4.5
83.01305	0.7
84.02412	0.6
84.04507	0.8
85.02893	100.0
87.04447	2.4
88.08367	0.6
89.05995	0.8
91.03928	1.4
92.09139	1.4
97.02872	24.2
99.04445	10.1
101.02361	13.7
103.03938	1.0
109.02876	2.7
115.03907	5.0
116.04225	0.8
127.03898	65.0
133.05038	0.7
145.04951	25.5
161.99323	0.6
163.05984	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	179.0702
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
55.01862	0.6
55.05494	2.3
56.96558	0.6
57.03424	0.9
58.99572	0.9
59.04977	0.5
61.02897	0.5
64.32750	0.4
65.03909	2.6
67.05493	0.6
69.03407	1.1
69.19071	0.4
70.06571	0.7
70.61127	0.4
71.04987	0.8
76.02209	4.5
76.23346	0.5
79.05450	1.9
81.03351	0.5
81.07045	0.8
84.08134	0.9
85.02862	1.2
85.06522	0.8
87.04482	0.5
91.05461	45.4
92.09040	0.6
95.04970	0.6
95.30717	0.5
97.02855	0.8
98.97583	0.7
105.06996	0.9
108.04549	0.5
116.10692	0.6
117.11037	0.5
119.01893	2.9
119.04919	89.5
127.00324	0.7
130.06482	0.9
137.02969	0.5
137.05917	5.2
147.04387	100.0
148.04951	0.7
149.06572	0.9
151.07512	2.9
161.02980	2.2
164.04707	1.3
179.07031	12.5
180.72891	0.6
182.34808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
55.01863	7.1
55.05505	16.1
56.96558	3.5
57.03424	7.4
58.61912	2.4
67.05487	30.4
68.40804	3.0
69.07044	5.3
69.45580	2.5
71.04975	3.8
79.05466	35.1
81.07045	63.8
83.04945	10.9
91.05457	49.3
92.08947	6.3
93.07018	63.6
94.19635	2.9
95.04951	3.4
95.08583	76.1
97.06498	16.4
105.07015	53.6
107.08575	16.5
109.06509	5.5
109.10156	6.8
119.04907	5.4
119.08553	73.0
119.47175	3.5
121.10117	22.7
123.08044	12.4
133.10098	41.9
135.11655	35.4
137.09540	3.3
147.04463	10.8
161.05896	3.3
161.13219	100.0
179.14282	91.5
192.88538	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	179.04
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04397	0.4
90.06654	0.4
92.08736	0.5
92.09207	0.9
101.00867	16.5
103.26561	0.5
113.26224	0.5
119.01903	100.0
120.01979	0.9
133.03404	3.1
136.82803	0.4
137.02937	36.9
142.03532	0.6
143.05133	0.4
151.04558	1.9
156.05031	0.9
161.02931	11.3
161.04361	0.7
161.04655	0.6
174.06140	0.8
179.03979	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	(R)-(-)-Mellein
Peak:m/z	Relative Intensity
53.03933	0.9
54.81500	0.5
55.01866	11.5
55.05500	0.8
60.47569	0.4
65.03943	2.1
67.05483	3.8
67.08887	0.5
69.03407	0.8
69.75835	0.5
77.14726	0.5
79.05458	0.9
79.35474	0.6
81.07053	1.1
91.05457	6.7
93.03331	0.5
93.07050	0.7
95.04934	4.6
104.56397	0.5
105.03357	0.9
105.06999	3.0
107.08608	0.8
108.02102	4.0
111.04411	0.9
117.03375	0.8
119.04910	15.3
119.08556	2.5
120.08078	2.2
123.04382	8.7
128.37883	0.5
129.72200	0.6
133.02855	6.1
133.10071	1.1
135.04291	0.6
136.05186	0.7
137.05946	1.2
141.05466	7.5
147.04420	5.7
149.05939	5.6
151.03893	100.0
151.05019	14.4
154.77956	0.5
161.09605	0.6
161.13220	0.6
163.84097	0.5
171.81641	0.5
179.03374	14.6
179.07022	14.6
179.10576	1.1
179.14287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03938	1.3
55.05500	19.2
67.05488	9.2
69.07048	41.0
71.88062	1.4
79.05470	33.7
81.07033	86.5
83.08597	8.4
85.10799	1.5
89.43886	1.5
89.48039	1.6
91.05474	13.0
93.07011	45.5
94.89944	2.1
95.08006	3.0
95.08585	55.4
97.10152	6.8
103.34029	1.6
105.06345	1.4
105.06998	10.1
107.08570	100.0
109.06524	2.2
109.10128	17.7
113.04478	1.5
121.10112	78.6
121.95479	1.7
127.83595	2.0
135.11661	15.8
177.16342	80.5
195.30109	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
54.81059	1.5
55.05515	15.1
67.05482	7.2
69.07053	30.9
79.05492	16.5
81.07041	14.5
83.08591	15.1
89.03895	6.6
91.05461	8.2
91.75038	1.4
92.09173	7.0
93.07018	38.6
95.07999	2.6
95.08588	44.6
97.10145	2.2
105.07015	8.8
107.08583	75.6
108.04300	1.7
109.10111	13.3
117.03359	10.8
121.10123	100.0
131.44746	1.6
135.11656	18.4
139.22363	1.4
145.02821	11.0
149.13229	7.0
149.82635	1.6
170.37093	1.5
177.05487	2.4
177.16359	73.1
196.20508	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03932	1.2
54.05895	0.9
54.81743	0.9
55.05513	1.1
57.07058	1.3
64.33379	1.0
69.07056	1.4
69.33882	0.8
75.80509	0.8
78.04698	6.7
79.05495	0.9
81.07014	1.3
83.08591	0.9
87.72156	1.1
89.03896	62.3
91.05458	6.6
93.07017	7.5
95.04973	1.7
95.08565	4.0
103.03930	4.0
103.05457	3.6
105.06982	1.0
106.04147	8.3
107.08572	5.4
115.05440	1.1
116.98565	1.4
117.03357	99.6
117.07017	1.8
119.04917	1.1
119.08540	1.7
121.06453	1.4
121.10121	7.0
124.05200	1.5
127.68327	0.9
131.08539	1.3
134.03604	15.0
134.99593	0.9
135.04399	7.1
145.02829	100.0
149.05951	33.4
149.07095	1.8
177.05432	33.2
177.09076	14.5
177.12599	1.3
177.16360	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	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.68629	1.0
61.21829	0.9
65.03940	0.9
69.07066	2.3
70.13860	0.9
78.04676	4.0
79.05450	1.5
81.07045	1.9
83.08616	1.1
89.03893	57.6
90.71193	0.8
91.05457	6.8
92.08881	2.2
93.07027	2.4
95.08586	2.4
98.97531	1.6
103.03928	4.5
103.05432	1.8
105.07014	1.4
106.04158	9.3
107.08577	4.8
112.67401	1.0
116.98609	1.7
117.03352	100.0
117.06979	1.5
119.04884	1.4
121.06460	2.1
121.10113	7.5
134.03603	14.4
135.04404	5.7
135.11667	1.0
145.02824	90.4
149.05963	29.1
159.11705	1.0
177.05428	29.7
177.09052	8.3
177.12773	2.2
177.16331	5.0
185.32426	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.29165	0.7
63.02352	1.7
63.69656	0.7
67.11388	0.8
72.93655	0.7
78.04681	4.0
89.03895	59.1
91.05437	3.6
92.08845	1.3
93.06994	1.1
95.04922	1.5
98.25922	0.9
98.97562	0.8
103.05448	3.4
106.04162	6.8
114.71846	0.8
117.03354	100.0
121.06448	0.8
124.05164	1.2
133.58543	0.9
134.03613	13.5
135.04391	6.3
145.02824	99.9
149.05959	33.2
177.05434	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	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.77164	0.8
59.64638	0.9
69.07040	0.8
73.46337	0.9
73.79353	0.8
78.04679	4.6
79.05483	1.8
89.03893	56.6
91.05445	6.7
92.08733	0.9
93.07025	13.0
95.04975	1.7
98.97575	1.5
103.05416	1.6
105.06973	1.0
106.04138	4.9
107.08564	5.1
116.04942	1.6
117.03349	100.0
121.06491	1.1
121.10139	1.7
124.05150	1.5
131.08517	1.9
134.03583	11.6
135.04378	4.4
135.11722	1.1
145.02820	91.0
149.05943	30.0
149.13292	1.1
150.09047	1.3
159.11612	3.5
162.03070	2.2
177.05434	28.3
177.12717	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	176.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86033	1.2
59.62706	1.1
60.05624	1.4
70.06564	8.3
92.08820	1.6
97.89197	1.4
109.11771	1.4
110.22912	1.5
130.46481	1.4
132.02083	100.0
176.01057	27.9
185.17816	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.98536	0.4
53.03948	0.6
63.02354	0.8
78.04702	4.2
79.05472	0.7
86.24615	0.5
89.03897	58.1
91.05460	4.5
92.08846	0.9
93.07034	0.7
95.04969	1.0
98.97543	0.8
103.05437	1.4
105.03396	0.8
106.04140	6.1
107.08579	0.8
116.98598	1.3
117.03356	100.0
121.06440	0.9
124.05208	2.3
134.03610	12.8
135.04382	5.7
145.02826	95.0
149.05956	27.6
149.06870	1.0
158.24649	0.7
162.03090	0.9
163.03900	0.9
164.97615	0.6
177.05435	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
54.63122	0.7
55.05506	18.2
57.07050	1.5
58.35659	0.7
59.65410	0.7
60.91388	0.6
63.61304	0.8
66.34629	0.7
67.05480	4.4
69.07054	30.2
74.07367	0.8
75.94666	0.7
79.05469	5.2
81.07038	12.7
83.08605	10.3
91.05458	14.1
92.09068	3.9
93.07034	7.9
95.08578	10.2
98.97585	0.9
101.89456	0.7
103.05399	1.1
105.07013	42.8
107.08582	10.6
109.29020	0.8
112.65240	0.8
117.06981	4.0
119.08560	100.0
121.10136	4.0
131.08521	6.2
133.10107	80.4
145.10107	9.5
146.10904	1.1
147.11673	10.3
160.12405	4.3
173.13226	3.3
175.14786	78.1
191.38010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09884	1.0
55.05508	16.0
57.07060	1.3
67.05475	2.5
69.06725	1.5
69.07056	32.6
76.56776	1.7
79.05466	5.1
81.07043	15.4
83.08598	8.5
87.55830	1.2
91.05463	18.0
92.08858	3.1
93.07011	7.3
95.08591	17.3
105.07018	52.8
107.08546	10.2
107.35436	1.2
117.07008	6.3
119.08562	100.0
121.10092	2.8
131.08549	10.3
133.10107	94.1
135.11592	1.7
140.17859	1.3
145.10077	9.7
147.11650	15.4
173.13260	1.4
175.07446	1.5
175.11163	2.6
175.14790	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05289	0.6
55.05498	9.2
57.07038	0.9
63.99949	0.7
67.05477	1.5
69.07053	28.3
78.23515	0.8
79.05463	3.8
81.07040	6.9
83.08594	4.9
87.46976	0.8
91.05453	13.2
92.08949	1.0
93.07024	4.2
95.08582	7.7
105.07012	34.8
107.08572	8.0
113.93799	0.9
116.72042	0.8
117.06984	4.2
119.08553	100.0
121.10127	1.7
131.08534	5.2
133.10100	75.3
145.10059	11.1
147.11641	11.2
160.12408	4.5
173.13148	2.1
175.14775	95.9
192.49844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03936	0.7
55.05263	0.9
55.05503	14.6
56.86947	0.5
57.07061	1.0
67.05480	5.3
69.07054	25.2
79.05470	7.1
81.07034	20.6
83.08586	6.5
85.92130	0.6
91.05462	17.6
92.08840	2.8
93.07020	8.9
95.08580	17.9
96.55582	0.8
105.06278	0.8
105.07013	53.0
107.08572	13.2
117.06980	6.6
119.08555	100.0
120.09290	1.0
121.10141	4.7
131.08545	6.8
133.10101	95.8
134.10765	0.7
137.78780	0.6
145.10100	8.6
146.10870	2.6
147.11655	13.9
147.94522	0.6
160.12463	1.5
167.53540	0.7
173.13254	1.5
175.14784	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88611	1.2
55.05503	14.2
67.05473	2.9
69.03394	1.5
69.07053	27.3
79.05486	2.8
81.07024	7.7
83.04970	2.0
83.08590	2.1
87.96163	1.3
88.02177	1.6
91.05457	17.8
92.08759	5.4
93.07037	2.6
95.08588	7.2
105.07013	37.1
107.08569	6.0
117.07011	7.6
119.08559	100.0
121.10143	2.5
129.06927	2.5
131.08548	5.6
133.10106	79.2
145.10098	11.5
147.11702	11.2
160.12468	2.6
168.63364	1.4
173.13182	2.1
175.14787	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
52.06108	0.8
52.10640	0.8
52.96766	0.7
55.05275	0.7
55.05507	13.9
57.07058	0.8
57.30202	0.7
59.06041	0.8
63.81092	0.8
65.03920	1.0
67.05476	2.2
69.07052	28.0
70.69571	0.8
79.05455	4.4
81.07046	10.4
83.08589	5.1
90.02515	0.8
91.05458	12.3
92.09018	9.0
93.07001	5.3
95.08541	6.9
103.05499	1.0
105.07011	38.3
107.08566	7.9
117.06984	3.8
119.08553	96.6
121.10091	3.9
121.10915	1.0
131.08513	6.4
133.10103	80.6
145.10114	10.2
146.10892	0.8
147.11665	12.2
160.12427	4.0
161.38625	0.9
173.13203	3.8
175.14777	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	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
51.54120	0.8
53.00298	0.8
55.05505	11.6
56.11396	0.8
57.07058	1.7
59.97040	0.7
67.05499	3.5
68.29582	0.9
69.06712	1.4
69.07054	26.4
79.05456	4.1
81.07038	10.3
83.08586	7.3
91.05461	15.7
92.09202	3.8
93.07031	6.7
95.08566	9.5
103.05445	1.3
105.07010	45.6
107.08564	9.4
117.06962	5.3
119.08560	100.0
121.10107	2.3
128.91173	0.9
130.03183	1.1
131.08549	7.5
132.09386	0.9
133.10106	80.4
144.56197	0.9
145.10097	7.2
146.10837	1.7
147.11646	12.9
160.12425	2.2
173.13165	1.3
175.14786	85.6
181.67654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
54.81306	1.3
55.05511	14.2
56.34109	1.2
67.05467	1.8
69.07047	18.6
76.74749	1.4
77.79945	1.7
79.05450	6.1
81.07032	18.3
91.05460	20.6
92.09104	5.7
93.07019	11.2
95.08585	14.1
98.97571	1.8
102.25951	1.5
105.07015	56.3
107.08548	11.5
107.58659	1.3
117.07042	2.3
119.07710	3.2
119.08562	100.0
121.10102	2.6
131.08548	15.6
133.10110	61.7
145.10109	5.7
146.10883	2.9
147.11678	15.9
168.65948	1.6
173.13171	2.8
175.11551	1.7
175.14790	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99837	1.2
69.25370	0.5
73.21510	0.6
78.83421	0.5
82.96046	0.5
85.01384	5.4
85.74626	0.6
101.00857	11.1
103.02426	31.1
113.00806	0.7
115.02428	7.0
116.56272	0.6
119.01898	67.3
120.02038	0.6
121.02675	1.0
121.03465	18.3
121.04301	1.3
131.01868	3.0
133.03444	61.5
134.03575	0.8
137.01945	1.2
137.02928	21.0
142.03458	0.9
145.03447	13.9
149.02936	1.1
150.96896	0.9
151.04504	29.0
157.03409	2.6
163.04503	7.5
175.04486	100.0
176.04636	0.8
193.05646	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	175.1189
Annotation	Amino acid(Arg-)
Peak:m/z	Relative Intensity
52.96770	0.3
54.82399	0.2
55.01858	0.6
55.05504	1.2
56.96554	0.7
57.03431	0.7
58.06594	2.6
59.67510	0.3
60.05636	28.1
61.02914	0.6
63.04058	0.3
67.05496	0.3
69.03419	2.0
70.06577	100.0
71.04983	2.5
72.08137	11.8
73.02898	0.5
74.62229	0.3
75.57343	0.3
76.57001	0.3
81.03386	0.6
84.08122	5.1
85.01443	0.3
85.02895	1.5
86.34805	0.3
87.01878	0.4
87.04429	0.4
88.07645	0.3
92.01260	0.3
97.02870	1.8
97.07631	0.5
98.06047	1.3
98.97583	0.7
101.00865	4.5
102.00945	0.4
103.02420	2.7
103.03083	0.4
104.02152	0.3
110.38605	0.4
111.02897	0.4
111.04442	0.4
112.07591	2.0
112.08704	3.5
115.02393	0.4
115.05846	0.5
115.08710	0.8
116.07070	23.1
116.98676	0.4
118.08665	0.5
119.01898	26.9
120.02007	2.0
121.01624	0.7
121.03461	2.0
125.71321	0.3
127.03834	0.3
129.10185	0.7
130.06508	0.5
130.08630	1.8
130.09724	11.0
131.01903	0.6
131.54236	0.4
132.02122	0.7
133.03435	5.8
137.02933	10.7
139.03812	0.3
142.03481	0.4
143.03572	0.6
145.03435	2.3
147.01375	0.5
149.02943	0.5
151.04477	2.0
157.03436	0.5
157.10857	0.5
158.08069	0.6
158.09232	5.8
161.02960	1.8
163.04504	0.6
175.04477	6.3
175.11874	22.0
179.03966	1.7
181.05473	0.4
193.05507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.36955	0.7
55.05488	4.3
64.47257	0.7
65.03891	0.7
65.31323	0.7
67.05476	5.0
71.04990	1.2
72.93755	1.8
75.31606	0.7
79.05469	1.0
81.07037	4.1
83.04963	1.5
87.08599	0.7
87.99812	0.8
91.05455	13.0
93.06992	1.2
95.08572	3.5
97.40800	0.9
101.05986	1.0
105.07006	13.4
111.04417	3.1
115.05440	1.5
116.06180	1.5
117.06991	7.5
119.08550	23.1
119.19153	0.8
128.06197	1.1
129.06976	17.1
130.07736	5.0
131.08534	62.3
133.10112	5.3
143.08545	38.5
143.09537	1.7
144.09309	12.2
145.10097	28.4
155.06920	1.0
156.09296	1.1
157.09993	1.2
158.10876	44.6
171.11610	1.9
173.13214	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.12033	1.1
55.05500	2.5
60.02509	0.9
60.47751	0.8
67.05486	1.8
79.05465	1.0
81.07030	1.5
83.04947	2.4
91.05453	6.9
92.08776	2.5
101.05985	1.3
105.07027	4.7
111.04424	1.9
115.05441	1.3
117.07012	2.2
119.08540	14.3
129.06966	9.1
130.07755	1.9
131.08543	41.6
133.10115	2.7
135.28802	1.1
139.41663	1.1
143.08548	30.5
144.09305	6.6
145.10107	23.2
155.07019	1.2
157.10106	1.4
158.10884	45.2
173.08084	2.6
173.13220	100.0
185.27893	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05505	6.4
57.03429	0.8
62.96138	0.7
62.96489	0.8
64.63488	0.6
67.05484	3.9
69.03397	1.0
69.05927	0.8
69.07040	0.7
70.95833	1.9
72.93768	16.6
79.05479	1.3
81.07030	4.6
83.04964	7.5
83.11304	0.8
85.06530	1.0
90.94803	7.4
91.05446	8.9
93.07008	1.4
95.08584	1.1
101.05986	3.8
105.07018	9.5
108.95847	1.8
110.83105	0.8
111.04411	5.4
111.98416	1.0
113.05965	1.0
113.07951	1.1
113.96324	1.0
117.06995	8.3
119.08554	14.7
128.06165	1.2
129.05492	1.2
129.06976	12.6
129.99492	0.9
130.07736	4.0
131.08540	53.3
132.95790	4.9
133.10088	4.3
137.09583	1.6
142.07785	1.0
143.08539	31.5
144.09329	10.0
145.10101	29.3
149.96075	3.1
150.96916	6.3
155.07014	4.4
157.10091	1.2
158.10875	42.9
167.97125	1.8
171.11667	1.6
173.08028	5.9
173.13216	100.0
173.98502	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51731	0.6
55.05498	4.0
63.44823	0.7
65.03919	0.9
65.05872	0.7
66.18361	0.6
67.05493	5.6
67.15455	0.6
81.07024	5.1
81.52998	0.8
85.06534	0.8
91.05468	10.1
93.06998	1.0
95.08572	1.8
96.55021	0.8
97.02768	0.8
98.97565	1.0
99.04462	1.0
101.05999	1.3
105.07012	12.2
109.10159	1.3
111.04420	1.6
115.05411	1.7
116.06195	3.7
117.06989	7.1
119.08563	19.9
128.06277	1.3
129.05449	0.9
129.06993	13.1
130.07777	1.4
131.08548	56.8
133.10092	4.5
134.05295	0.7
142.07756	1.1
143.08546	34.9
144.09317	11.2
145.10112	28.6
155.07028	1.3
156.09351	1.8
157.10063	1.3
158.10886	51.5
161.01163	0.8
171.11632	1.5
173.13225	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	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05489	2.1
62.97101	0.8
67.05479	5.5
70.95873	0.9
72.93754	1.2
79.05505	0.8
81.07022	4.2
83.04950	1.6
85.06522	1.1
91.05456	9.8
95.04935	0.9
95.08572	3.9
98.97520	1.1
101.05992	1.3
105.07022	9.5
108.77647	0.9
109.10139	2.4
111.04449	1.2
112.61456	0.9
115.05435	1.1
116.06207	1.4
117.06973	7.0
119.08558	19.0
128.06145	1.1
129.06926	9.8
131.08540	55.0
132.56067	1.0
133.10095	1.7
142.07771	1.5
143.08546	33.3
144.09302	10.3
145.10101	28.9
156.09209	3.4
158.10875	51.0
171.11694	1.4
173.08078	1.9
173.13216	100.0
182.98941	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1379
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
55.01872	1.7
55.05507	40.8
56.84842	0.9
57.03418	6.7
67.05495	33.1
67.23573	1.1
69.03413	9.4
69.07058	100.0
71.04982	16.5
72.04495	33.8
79.05478	13.0
80.34383	1.0
81.07047	19.8
83.04970	12.1
83.08620	12.5
85.06059	1.8
85.06530	28.2
87.08077	2.4
89.07139	15.4
91.05461	6.6
92.08803	2.4
93.07017	23.7
95.04933	2.0
95.08582	16.2
97.06511	18.8
99.08067	1.3
105.07002	1.6
107.08589	29.3
109.10143	33.7
111.04379	2.5
111.08057	27.8
125.09616	11.4
135.11676	14.7
146.25929	1.1
153.09068	6.4
153.12749	11.7
156.09325	4.7
163.55667	1.1
171.10207	1.3
171.13800	2.9
171.14963	14.0
182.96307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
55.05507	40.8
56.84842	0.9
57.03418	6.7
67.05495	33.1
67.23573	1.1
69.03413	9.4
69.07058	100.0
71.04982	16.5
72.04495	33.8
79.05478	13.0
80.34383	1.0
81.07047	19.8
83.04970	12.1
83.08620	12.5
85.06059	1.8
85.06530	28.2
87.08077	2.4
89.07139	15.4
91.05461	6.6
92.08803	2.4
93.07017	23.7
95.04933	2.0
95.08582	16.2
97.06511	18.8
99.08067	1.3
105.07002	1.6
107.08589	29.3
109.10143	33.7
111.04379	2.5
111.08057	27.8
125.09616	11.4
135.11676	14.7
146.25929	1.1
153.09068	6.4
153.12749	11.7
156.09325	4.7
163.55667	1.1
171.10207	1.3
171.13800	2.9
171.14963	14.0
182.96307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0651
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
53.03939	0.5
55.01870	4.3
55.05504	7.2
57.03440	0.6
57.61488	0.5
65.03925	29.0
67.05490	2.6
68.99778	10.6
69.03408	1.1
70.06568	1.2
72.04501	7.5
79.01837	0.6
81.03402	4.7
82.28131	0.6
82.98321	0.5
83.04968	14.2
83.08588	1.2
85.49889	0.5
88.07624	0.8
88.95290	0.7
89.07122	5.1
92.08984	0.7
93.03390	9.2
96.02144	0.6
97.02881	1.1
111.04427	98.7
111.08089	0.7
112.04739	0.6
121.02927	2.2
121.03966	8.5
139.03882	100.0
153.01825	0.8
171.06497	9.0
171.14958	4.8
176.60483	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
52.71228	1.7
55.01870	3.1
55.05515	16.7
57.03426	3.8
57.07068	9.0
59.04984	11.2
65.03945	2.7
67.05490	73.7
69.03419	10.8
69.07056	14.7
71.04974	53.1
79.05473	26.4
81.07037	79.3
83.04968	4.5
85.06528	58.1
91.05458	26.8
92.08866	2.9
93.07020	23.9
95.04954	13.3
95.08590	15.1
97.06493	4.3
99.04430	3.8
105.07011	40.5
107.08567	48.9
109.06498	29.9
109.10146	100.0
111.08078	4.2
113.05969	26.1
113.25616	2.1
114.35567	2.3
114.36362	2.1
121.10157	2.2
123.08086	4.3
123.11668	17.4
125.09626	13.1
131.14172	2.2
133.10106	41.4
151.11177	40.8
169.12247	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0651
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
55.01857	4.2
55.05502	9.0
56.96563	1.1
59.03902	0.8
65.03606	1.2
65.03928	27.6
67.05482	3.0
68.99776	11.4
69.03416	3.5
69.07043	1.1
70.06569	1.2
70.94238	1.3
71.04945	0.7
72.04497	19.6
79.05463	1.4
81.03390	5.0
81.07037	1.0
83.04967	16.1
83.08586	4.8
86.09677	1.3
87.44108	0.7
87.70676	0.7
87.95812	0.8
89.06646	0.9
89.07143	13.8
93.03389	9.7
93.37962	0.7
95.04964	0.8
96.02082	1.2
97.02863	1.2
97.06488	1.0
99.80920	0.6
107.04949	1.3
107.08545	1.2
109.02855	0.8
111.00751	3.2
111.04427	100.0
111.08051	0.8
121.02833	1.2
121.03953	8.8
125.05962	1.1
127.03914	1.4
139.03879	97.3
153.01823	5.5
171.06549	9.0
171.09959	1.0
171.14905	16.5
181.48726	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0494
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03942	0.4
54.17078	0.3
55.01865	0.5
55.05503	0.5
65.03867	0.3
67.05503	0.7
68.99773	3.0
69.03410	0.4
69.07054	0.4
71.04981	0.4
81.07049	0.6
83.05000	0.3
85.02897	0.6
93.07057	1.2
95.08582	0.6
97.02874	1.5
98.03656	3.2
105.06998	0.5
106.98310	0.4
109.02860	1.9
111.00787	29.6
111.08085	0.7
113.05975	0.6
121.59739	0.4
125.02311	0.4
126.03113	38.6
141.05444	100.0
142.05771	0.6
169.04927	46.6
169.07529	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
52.59775	1.2
55.01857	3.5
55.05507	16.4
57.03421	6.2
57.07051	10.4
57.07327	1.5
59.04982	9.5
61.64491	1.4
63.78342	1.3
65.03912	2.6
67.05143	3.7
67.05489	77.3
69.03426	11.6
69.03722	1.4
69.07048	16.3
70.50623	1.6
71.04609	2.5
71.04973	52.7
79.05467	25.0
79.35813	1.6
81.07037	79.4
83.04959	4.0
85.06528	55.9
91.05456	31.7
92.08978	8.1
93.07029	18.7
95.04930	12.5
95.08600	14.0
97.06501	3.3
99.04441	3.4
105.07007	42.0
107.08579	40.9
109.06508	22.3
109.10141	100.0
111.08060	3.2
113.05991	15.6
123.08019	8.0
123.11671	17.1
125.09590	10.1
133.10100	40.1
139.11142	1.8
151.11154	46.6
169.12238	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	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
50.50797	1.3
53.03938	2.0
55.05259	2.0
55.05506	25.8
57.07067	1.8
59.04964	1.4
64.32069	1.4
67.05489	35.6
69.07044	19.6
71.04977	35.0
73.06536	15.1
73.93142	1.6
79.05473	18.9
81.06595	3.0
81.07037	56.9
81.07470	2.0
83.08618	11.4
85.06533	2.0
91.05470	12.0
92.08997	8.0
93.07024	44.5
95.05006	2.8
95.08581	81.3
97.06514	7.1
97.10158	2.2
105.07020	9.2
107.08574	100.0
109.06539	2.9
109.10139	50.5
111.08080	9.4
121.01663	1.8
121.10112	43.2
123.04456	1.9
123.11684	9.1
149.13240	42.7
161.96992	1.5
167.07024	8.5
167.14229	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	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96199	2.3
55.05511	55.5
56.65405	2.3
57.07059	12.1
59.04988	3.4
67.05494	36.1
69.03415	5.5
69.07050	30.8
71.04984	42.9
72.81460	2.3
73.06548	15.4
78.04683	4.6
79.05485	25.7
81.07039	66.1
83.04956	21.0
83.08624	22.9
84.96005	5.0
85.06513	2.8
91.05457	11.6
93.07021	46.5
95.08589	100.0
96.64457	2.9
97.06478	3.0
104.07513	3.4
105.06975	9.9
105.18917	2.5
106.04174	5.2
107.04896	3.4
107.08582	67.0
109.10139	31.6
111.08079	6.5
121.01669	13.1
121.10111	29.2
123.04442	12.9
123.08060	3.1
123.11696	4.5
125.09566	5.9
139.02663	4.5
149.09570	3.5
149.13231	33.8
153.63684	2.7
167.06966	33.8
167.14334	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.01867	0.5
55.05500	0.5
57.03435	0.4
67.05480	0.5
68.99783	2.7
74.05344	0.3
77.63520	0.3
79.05484	0.4
79.96503	0.3
80.02586	0.3
81.03400	0.6
81.07027	1.2
92.08868	0.5
93.07034	0.7
95.04944	0.6
95.08578	0.5
97.02876	1.6
98.03652	3.8
99.04433	0.4
105.07014	0.4
107.08569	0.6
109.02872	2.1
111.00788	28.2
111.08095	0.5
113.05936	0.4
123.11716	0.4
125.02267	0.4
126.03115	39.2
141.05446	100.0
151.06406	0.3
151.08623	0.5
151.11179	0.4
169.04927	40.7
169.07504	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Norecasantalol
Peak:m/z	Relative Intensity
50.13311	0.4
50.85553	0.3
53.03926	0.8
55.05510	5.2
56.63954	0.3
57.03429	0.8
57.07062	2.5
59.04982	0.4
60.59707	0.4
63.67624	0.4
65.03928	0.6
67.05141	0.8
67.05495	19.4
68.41982	0.5
69.07058	10.3
70.21172	0.4
71.04958	0.9
78.04711	0.7
79.05482	5.9
81.06598	0.8
81.07042	16.1
83.08600	5.4
85.06547	0.6
88.04446	0.4
91.05462	8.5
92.09195	0.6
93.07024	24.4
95.04945	0.8
95.08591	8.8
97.06495	4.8
97.10163	0.7
105.07027	9.6
107.08582	100.0
109.06503	3.5
109.10144	55.4
111.08074	9.3
119.06036	0.8
119.08591	0.6
121.10127	41.1
123.04420	0.6
123.08053	0.9
123.11696	3.9
142.42159	0.4
149.13239	22.6
167.07018	2.6
167.14310	6.0
179.46384	0.4
184.65092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.4
54.80922	0.4
55.05508	4.6
57.03420	0.6
57.07066	1.1
60.33361	0.4
64.81229	0.6
65.03920	1.0
65.28732	0.4
67.05492	15.8
69.07052	8.2
71.04971	0.9
79.05475	4.7
81.07039	13.1
83.04962	0.9
83.08590	5.4
91.05453	8.2
92.08959	3.0
93.07019	20.3
95.04933	1.2
95.08575	7.4
97.06495	5.7
105.04489	0.5
105.07015	8.5
107.08576	100.0
109.06481	3.2
109.10140	47.7
111.08060	8.1
119.06025	0.6
119.08588	0.9
121.10120	43.4
123.04395	0.5
123.08051	0.8
123.11678	3.1
124.05165	0.7
125.09567	0.6
128.60168	0.5
136.80368	0.4
144.19344	0.5
146.94038	0.5
149.13245	21.5
167.07060	2.3
167.14268	7.2
182.54256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
52.90726	2.1
53.03930	3.5
54.81250	2.2
55.05505	100.0
56.62518	2.6
56.75341	2.4
59.04992	3.2
67.05501	12.5
68.38744	2.9
69.03413	24.2
69.07040	13.1
79.05476	15.2
81.07038	20.3
83.04967	76.1
83.08597	35.0
85.06538	6.1
91.05462	15.7
93.07021	28.7
95.04924	3.9
95.08592	12.4
97.06501	4.9
97.10150	4.7
102.27670	2.6
105.07057	9.9
107.04910	5.9
107.08551	19.5
109.02866	2.8
109.06504	6.3
109.10130	19.7
111.08061	22.8
112.08855	3.8
113.06865	2.9
121.01623	3.0
121.06480	6.7
121.10143	27.6
123.04407	12.9
123.08064	5.0
123.11708	5.6
125.09626	15.2
131.04890	3.5
144.03271	3.0
144.05124	2.6
149.13280	3.5
157.35033	3.7
167.06984	27.0
167.10645	4.4
167.14281	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	167.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.4
55.01846	1.2
55.05505	31.3
56.96557	0.9
57.03419	1.3
57.07057	1.3
59.04977	2.7
65.03909	3.0
67.05488	5.9
69.03413	6.0
69.07037	4.4
73.02909	8.0
74.54244	0.7
75.32716	0.7
76.46853	0.6
78.04688	6.1
79.05470	5.1
81.07051	5.0
83.04960	16.1
83.08604	10.3
85.06519	3.6
91.05468	10.3
92.08886	1.0
93.07006	7.8
94.02067	0.7
95.04948	7.2
95.08596	1.6
95.52033	0.7
97.06518	0.9
97.10142	3.0
103.05415	1.7
105.07015	1.3
106.04137	2.9
107.04945	1.7
107.08576	6.5
109.02831	1.3
109.06462	3.2
109.10127	5.9
110.81593	0.6
111.04407	7.1
111.08054	8.4
112.08839	3.1
113.09595	1.2
119.04934	8.1
121.01637	4.0
121.02840	100.0
121.06429	5.0
121.10110	5.4
123.04412	13.9
123.11665	1.8
124.05165	3.4
125.09582	3.7
136.90485	0.7
137.05945	0.8
139.02644	1.2
144.03262	1.2
149.02318	1.1
149.05951	17.1
149.09563	1.0
149.13239	1.1
151.03885	1.7
152.04683	1.5
158.25487	0.8
167.06998	43.9
167.11864	0.9
167.14279	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	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03933	0.7
55.05487	0.4
65.03928	0.5
66.04701	0.6
78.04692	14.6
78.47040	0.4
79.05469	3.3
81.03405	0.4
81.07022	1.1
83.04958	0.6
91.05450	2.6
92.08934	2.3
93.07027	2.6
95.04945	3.0
96.05693	1.0
104.38644	0.5
105.03374	0.9
106.04185	7.8
107.04926	1.8
107.30692	0.5
109.02883	0.7
117.19755	0.5
117.99146	0.5
121.01621	2.1
121.06470	2.5
122.03642	1.0
123.03528	1.0
123.04412	29.2
124.05186	9.0
134.03627	1.0
136.79895	0.4
137.05960	0.7
151.03882	4.7
152.04672	5.3
162.04169	0.5
167.07005	100.0
168.04108	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	3,4'-Dihydroxypropiophenone
Peak:m/z	Relative Intensity
50.71162	0.4
51.68694	0.4
53.03938	0.4
55.01870	1.1
55.05503	5.6
56.47494	0.4
60.61851	0.4
65.03937	2.1
67.05497	0.9
69.03416	0.9
73.02903	7.3
73.60206	0.4
78.04699	4.1
79.05481	3.2
81.07052	2.1
83.04963	4.1
83.08615	2.3
84.96039	0.6
86.27123	0.5
91.05458	3.5
91.67127	0.5
92.08888	0.8
93.07040	3.4
95.04949	4.0
95.08576	0.7
103.00607	0.6
103.05464	0.7
105.07017	0.7
106.04150	2.7
107.04954	0.8
107.08591	3.5
108.09471	0.5
109.06485	1.0
109.10199	0.8
111.04439	4.8
111.08047	1.1
112.83769	0.4
119.04917	6.4
121.02847	100.0
121.06458	4.7
121.10110	2.0
123.04417	9.0
123.08073	0.8
123.11645	0.5
124.05200	2.1
137.05911	0.7
139.02695	1.1
144.03300	1.8
149.05969	20.2
149.09564	0.9
149.13123	0.6
151.03940	2.5
152.04668	1.1
162.04329	0.8
167.07010	33.7
167.10606	0.9
167.14270	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38715	2.3
51.75246	2.1
52.97903	2.0
55.05507	100.0
57.07061	2.6
59.04992	9.6
59.37684	2.1
65.68894	2.1
67.05485	15.5
69.03403	18.2
69.07050	14.6
69.09250	2.4
79.05478	13.6
81.07038	16.9
83.04966	64.7
83.08601	40.8
83.68549	2.3
85.06528	4.9
91.05451	12.9
92.09086	10.2
93.07016	13.5
95.04949	2.9
95.08569	3.3
97.06500	4.1
97.10143	10.0
103.05466	2.6
105.07001	4.3
107.04932	3.7
107.08587	29.3
109.06539	3.5
109.10149	13.6
111.08077	22.2
112.08837	5.8
113.09651	4.4
121.01664	4.1
121.06449	5.3
121.10116	12.4
123.04382	3.9
123.08064	2.5
123.11703	4.7
125.09602	14.0
135.08041	4.1
140.54373	2.1
144.03221	3.7
149.09634	5.1
160.77701	3.1
167.07007	11.0
167.10619	5.2
167.14273	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1429
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03933	2.2
55.05504	100.0
57.07069	1.9
58.49220	1.7
59.04976	8.5
67.05476	14.7
69.03407	16.0
69.07050	8.2
78.04689	2.8
79.05476	8.2
81.07038	13.9
83.04963	59.6
83.08601	35.9
85.06515	8.4
91.05455	3.0
92.09177	10.8
93.07005	12.0
95.04923	2.2
95.08570	8.8
97.06597	1.9
97.10155	8.9
104.01557	1.9
107.04974	3.2
107.08570	13.8
109.06474	2.1
109.10114	19.9
111.08062	15.5
112.08836	8.6
113.09672	2.3
116.52512	2.0
121.06502	2.2
121.10128	11.5
123.04411	3.1
123.11655	2.7
125.09622	4.7
136.34746	2.1
136.87486	2.0
167.06979	17.6
167.10683	2.3
167.14282	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	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03941	0.8
61.64075	0.4
66.04716	0.7
67.05463	0.6
78.04699	18.7
79.05483	3.4
81.07037	0.5
84.95994	0.5
87.98937	0.4
91.05461	0.6
92.08756	0.6
92.09246	0.6
95.04948	3.1
96.05737	0.6
105.03360	0.8
106.04154	8.4
107.04902	0.9
107.08595	0.6
108.05949	0.5
109.02882	2.1
121.01656	2.9
122.03616	2.5
123.04416	35.0
124.05201	9.7
134.03609	2.8
135.04385	0.7
137.05974	0.9
138.03040	0.6
144.03235	1.2
151.03896	6.0
152.04674	5.5
166.53333	0.6
167.07011	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0498
Annotation	N-formylanthranilic acid
Peak:m/z	Relative Intensity
50.28797	0.2
61.31283	0.3
67.05462	0.3
69.03400	0.3
72.00341	0.2
82.06549	1.1
94.06544	1.0
94.20999	0.3
109.05217	1.3
110.06013	4.0
119.01890	0.3
120.01974	0.6
120.04448	0.5
122.05992	1.2
138.05470	42.6
141.04182	2.0
143.03616	0.4
166.04959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0861
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.81474	0.1
53.03916	0.1
70.19881	0.1
73.66311	0.1
79.05463	1.0
91.05442	0.7
92.08795	0.2
92.30611	0.1
93.07018	2.5
95.04942	0.2
98.97534	0.2
101.20527	0.2
103.05439	11.9
107.04942	2.1
107.78800	0.2
110.10051	0.2
118.06510	0.2
120.08073	100.0
131.04889	1.6
147.03282	0.2
149.05986	0.2
164.41290	0.1
166.08617	2.0
168.38879	0.2
184.37500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
50.77254	1.5
52.83009	1.2
53.03936	1.6
55.01849	2.1
55.05489	6.0
57.03419	7.0
64.15756	1.3
67.05485	26.9
69.03414	6.4
69.07041	7.3
71.05002	1.8
78.54504	1.5
79.05476	29.3
81.04546	1.5
81.07036	71.6
83.04957	3.6
85.06493	1.9
91.05463	30.2
92.08839	10.6
93.07019	33.8
95.04911	6.1
95.08567	18.6
97.06486	6.8
101.00877	15.1
105.07008	50.6
107.08596	15.8
109.06483	5.9
109.10172	2.7
119.01060	3.3
119.01899	100.0
119.08551	40.3
121.10114	50.5
123.08013	2.5
123.11674	7.0
124.02402	2.0
133.22977	1.5
137.02927	33.0
137.09555	5.2
142.03488	43.0
147.04413	3.5
147.11658	73.9
160.04492	20.8
165.11362	2.9
165.12711	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
51.71726	0.8
52.05383	0.7
53.03922	0.9
55.05494	4.5
57.03411	1.9
57.07059	1.9
65.07477	0.8
67.05487	10.4
69.03409	3.7
69.07053	2.1
79.05466	5.9
81.07038	15.2
83.04970	1.0
83.64658	1.0
91.05461	9.5
92.08652	1.2
92.09180	2.4
93.07027	7.4
95.04929	4.2
95.08591	10.5
105.07011	8.4
107.04883	1.0
107.08585	6.4
109.06493	13.2
109.10114	11.5
117.07027	1.5
119.01854	4.9
119.04910	3.7
119.08559	20.9
121.06501	1.6
121.10135	17.4
122.07220	7.9
123.08070	9.7
123.11649	2.0
135.07970	2.0
137.02876	1.1
137.09592	100.0
137.13257	1.1
142.03470	1.6
147.04413	9.8
147.11630	4.8
150.10374	4.7
165.12711	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03648	0.2
58.99848	0.2
74.61317	0.2
75.40972	0.2
82.01421	0.2
82.99826	1.7
92.08807	1.3
100.02460	1.1
101.00859	28.9
119.01897	100.0
120.02068	0.4
121.02383	0.2
124.02423	2.8
137.01830	0.4
137.02933	28.8
142.03479	48.3
160.04524	16.7
160.05872	0.5
165.05103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
55.05507	0.3
63.71836	0.3
65.03918	1.8
65.08513	0.3
69.03419	1.5
74.27522	0.3
79.05463	0.5
81.07032	0.4
90.90302	0.3
91.05460	30.8
92.08815	0.4
95.04953	1.4
105.07037	0.8
107.08595	0.4
119.01911	3.1
119.04919	63.6
119.08560	0.6
123.04417	1.7
123.08073	0.4
137.02948	0.5
142.03459	1.6
147.04390	100.0
147.11610	0.4
148.04675	0.6
165.05466	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76762	0.5
53.03928	2.3
55.01862	4.8
55.05501	10.8
55.29704	0.4
57.03426	25.6
61.02914	15.4
65.03941	0.6
67.05486	0.5
69.03412	72.3
71.01333	0.6
71.04972	4.0
71.05296	0.5
73.02902	6.6
75.04457	0.5
81.03389	7.7
82.99833	0.7
83.04959	24.0
85.02886	27.9
87.04443	2.8
87.53474	0.5
91.03912	2.2
92.09082	1.2
93.90925	0.6
99.04427	6.1
100.02441	3.0
101.00853	23.5
103.03899	4.6
111.04417	10.9
118.03485	1.1
119.01894	100.0
120.02000	0.9
123.04391	0.8
124.02421	2.8
129.05472	6.7
133.03450	0.7
137.02927	32.8
139.54460	0.6
142.03471	52.5
143.03595	2.2
147.06456	3.6
149.40134	0.5
160.04517	21.1
165.07552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
52.76414	0.6
53.03938	1.2
53.22190	0.5
54.36722	0.5
55.01856	3.5
55.05495	0.7
55.93790	0.6
65.03922	0.8
79.05473	24.2
81.07031	1.7
91.05466	5.0
92.09084	2.3
94.04161	1.7
95.04960	5.0
101.00860	1.6
103.03908	0.7
103.05454	15.4
105.03359	1.3
105.07011	100.0
107.08578	0.7
109.06515	2.7
111.04395	1.5
115.05410	1.2
119.01910	11.0
119.04911	0.8
121.10116	1.5
122.03625	5.4
124.05158	3.5
133.06467	63.4
137.02962	5.1
137.05954	68.0
142.03450	5.2
147.04430	1.0
147.43085	0.7
160.04491	1.0
165.09061	16.6
172.21222	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03933	2.4
54.81986	1.5
55.01863	3.3
55.05508	14.3
57.07060	8.7
63.68449	1.3
67.05492	12.9
69.03406	6.2
69.07059	20.1
69.90072	1.7
79.05479	40.5
81.07041	59.4
83.08606	2.1
85.02879	7.3
89.06034	2.4
91.05463	22.7
93.07021	76.0
95.04934	10.8
95.08601	17.8
103.05451	35.7
105.07010	24.8
107.04950	2.8
107.07868	3.8
107.08578	100.0
109.06514	15.7
117.03373	2.4
117.06984	4.1
119.08549	18.8
121.06466	3.3
121.10127	67.0
127.07525	9.7
130.07742	7.0
131.04897	28.3
133.06468	2.0
135.04385	4.0
135.08037	3.0
135.11649	13.3
143.08530	2.2
145.10109	52.7
148.08737	2.6
163.03860	7.1
163.07491	3.4
163.11154	68.2
163.14778	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03924	2.9
55.05497	16.8
57.03425	1.7
57.07060	9.8
61.24153	1.5
67.05513	2.7
69.03434	1.9
69.07062	38.3
79.05482	13.7
81.07037	8.0
82.82936	2.0
83.08604	13.1
85.02917	2.1
89.05975	2.4
91.05461	16.2
93.07018	28.1
95.04917	1.9
95.08590	8.2
103.04858	1.9
103.05439	17.8
105.07018	26.9
106.07819	2.0
107.08578	92.4
108.09357	3.2
109.06509	2.3
119.08573	11.9
121.06329	1.7
121.10127	100.0
123.08065	2.0
131.04909	18.2
133.10158	2.2
135.04420	2.7
135.11667	23.5
145.10120	2.3
163.03883	2.6
163.07538	2.5
163.11174	2.5
163.14790	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	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
52.70133	1.4
53.03928	3.4
54.81824	1.6
55.01852	8.4
55.05511	13.1
57.03403	1.8
57.07052	10.5
67.05484	13.7
69.03397	8.4
69.07045	12.8
72.24532	1.8
78.88668	1.4
79.05468	50.4
81.07034	74.2
83.08588	2.9
85.02866	5.5
89.03860	1.7
89.06011	2.6
91.05459	27.2
92.08708	3.3
92.09259	4.4
93.07017	75.7
95.04942	19.5
95.08584	14.7
97.02937	1.6
101.62888	1.5
103.05437	39.0
105.04469	2.4
105.07008	33.7
107.04950	2.9
107.07874	2.9
107.08573	70.9
109.06485	18.7
117.06974	14.3
119.08556	25.8
121.06448	10.9
121.10114	72.4
123.07990	1.9
127.07511	12.5
130.07762	11.2
131.04897	28.6
133.06458	2.5
135.04358	3.2
135.08020	7.2
135.11646	15.0
138.50819	1.5
143.08583	2.1
145.02844	2.0
145.10092	73.5
149.72989	1.5
163.03886	8.9
163.07520	7.4
163.11133	100.0
163.14775	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	163.1479
Annotation	Clavukerin A
Peak:m/z	Relative Intensity
55.05503	11.2
55.51606	0.9
56.00016	1.0
57.07055	7.0
59.53994	1.0
61.02901	0.9
67.05476	1.8
69.00116	0.9
69.03409	4.5
69.07051	61.8
79.05471	20.6
81.07040	7.9
83.08594	7.8
85.02882	10.6
89.03878	2.2
91.05448	18.4
92.08908	1.0
93.07018	31.9
95.08578	11.8
103.05456	2.0
105.07009	18.1
107.08573	100.0
108.09383	1.5
109.06487	5.6
117.03365	1.8
119.08558	7.8
121.10117	54.4
123.08029	1.5
131.04918	2.5
133.10059	2.1
135.04414	4.1
135.11658	23.8
145.10104	1.6
157.06842	1.4
163.03801	2.4
163.11075	1.3
163.14780	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	163.0599
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
51.52042	0.4
53.03936	5.0
55.01865	4.8
57.03426	15.7
57.07040	0.4
59.04991	1.1
61.02913	22.0
61.62297	0.4
69.03414	38.5
69.20769	0.4
71.01329	0.9
71.04974	3.1
73.02898	8.6
73.19825	0.5
79.05469	0.6
81.03395	10.8
83.01349	0.6
85.02887	100.0
87.04446	2.4
91.03947	2.0
92.08869	2.4
96.39822	0.5
97.02870	16.4
99.04392	3.3
101.02357	2.5
107.08596	0.9
109.02863	7.5
127.03866	6.4
132.13106	0.5
163.11105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0601
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
50.49495	0.4
53.03941	4.6
55.01871	6.6
55.05509	1.0
56.96556	12.0
57.03429	16.5
57.07056	1.0
59.04986	0.6
60.04508	2.0
61.02915	23.0
63.92938	0.9
69.03415	45.0
70.06580	3.2
71.01340	2.0
71.04973	4.6
71.06918	0.5
72.08137	4.9
73.02899	11.5
77.00784	0.7
78.95244	2.0
81.03396	13.5
81.07033	0.7
83.00764	0.5
83.01312	0.8
83.04964	0.8
84.04485	1.0
84.08163	1.5
85.02890	100.0
86.03222	0.5
87.04459	4.4
89.35402	0.4
91.02318	1.1
91.03941	2.9
92.09071	2.8
97.02871	22.7
98.97560	5.2
99.04427	5.3
100.02834	2.3
100.99133	2.6
101.00871	0.5
101.02364	2.5
102.92754	0.5
102.96853	1.1
103.00589	2.1
103.01275	0.6
103.03940	0.7
109.02862	8.1
110.07199	0.6
111.04057	0.5
112.02794	1.1
112.99087	0.9
115.03946	1.9
116.07140	0.6
116.98636	1.8
117.02003	0.6
117.03352	0.9
118.02789	0.9
119.01883	2.3
119.51910	0.6
120.01984	0.7
120.53449	0.5
120.97878	1.0
121.01644	11.1
122.94205	0.6
127.03913	7.9
128.10738	0.7
128.98595	0.7
131.00137	0.9
135.03233	0.6
135.04414	1.1
135.90247	0.5
139.02643	4.0
142.64835	0.5
145.01689	2.2
145.04967	1.2
161.02953	0.5
163.02754	5.6
163.04294	3.8
163.06387	0.5
163.08615	0.6
181.03848	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0601
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
52.15422	0.3
53.03942	4.6
54.75718	0.4
55.01663	0.4
55.01869	6.5
55.05501	0.9
57.03429	15.3
57.07056	1.8
59.04984	2.0
60.95851	0.4
61.02916	24.2
61.43015	0.4
62.92989	0.7
63.09236	0.4
69.03418	42.0
71.01347	1.8
71.04968	2.9
73.02898	8.9
76.95544	0.4
77.30997	0.4
79.05463	2.1
81.03401	15.6
83.01320	1.0
85.02891	100.0
87.04445	2.6
89.03892	12.9
89.06034	0.8
91.03941	3.0
92.09135	1.1
95.04947	0.8
96.71926	0.4
97.02871	20.4
98.43031	0.5
98.97560	0.6
99.04420	3.7
101.02357	2.4
103.05443	2.4
107.04934	2.3
109.02860	7.7
110.47694	0.4
117.03357	10.0
117.05656	0.7
121.00735	0.8
121.96631	2.8
127.03876	6.1
130.06508	0.6
131.04916	2.1
132.08095	0.9
133.07584	2.2
135.04395	13.7
139.01790	0.9
145.02849	5.8
145.07631	2.9
152.71928	0.5
163.01822	1.1
163.03880	12.2
163.07492	1.3
163.08659	9.1
163.12297	1.0
181.02876	2.6
182.36011	0.5
183.65273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75432	0.4
53.00315	0.4
53.03932	4.6
55.01863	5.1
55.05494	1.1
57.03425	14.8
57.07073	3.5
58.38495	0.4
61.02915	20.6
62.92971	1.0
63.02324	0.6
63.58001	0.4
63.92920	0.6
66.88634	0.4
67.05501	0.9
69.03413	39.1
69.07090	0.4
70.76012	0.4
71.01333	0.8
71.04972	4.9
73.02892	9.8
79.05472	3.3
80.72849	0.4
81.03394	11.6
83.01320	0.7
85.02887	100.0
85.06505	0.5
87.04446	2.3
87.96383	0.4
89.03895	14.8
89.06022	1.8
91.03928	2.8
92.08839	1.7
95.04940	0.9
97.00773	0.7
97.02868	16.2
99.04440	3.1
101.02351	1.8
102.96861	0.7
103.03933	0.7
107.04930	3.4
109.02869	7.3
109.10140	0.5
114.37857	0.5
115.03969	0.7
117.03353	9.8
117.05435	0.5
120.87881	0.4
121.00779	4.0
121.96613	3.1
127.03875	6.9
131.04922	0.6
135.03372	0.6
135.04388	17.7
135.08008	1.1
139.01793	7.8
145.02820	7.0
145.04942	0.6
163.01779	5.2
163.03839	16.1
163.07469	0.6
181.02827	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	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03929	1.1
56.47174	0.9
59.29110	1.0
60.38883	1.0
62.75016	1.0
63.02361	1.1
65.44655	1.0
79.05465	12.4
79.06711	0.9
85.02886	1.2
88.69489	1.1
89.03901	82.1
89.32384	1.2
90.54176	1.0
92.08640	3.1
92.09270	6.3
95.04942	4.2
107.04942	16.3
117.03361	72.9
135.04399	100.0
135.35390	1.5
138.69435	1.1
143.79764	1.2
145.02841	43.7
163.03877	79.0
171.95688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0601
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
50.01550	0.5
53.00299	0.7
53.03941	4.9
55.01633	0.8
55.01871	17.4
55.05492	4.1
56.05009	1.5
56.72857	0.5
57.03431	25.0
57.05360	0.8
57.07077	7.7
59.04980	3.1
61.02919	42.0
61.91621	0.6
63.02352	0.7
69.03420	63.9
70.08475	0.6
71.01354	2.3
71.04967	3.2
73.02904	21.9
79.05474	9.8
81.03412	10.3
83.01308	1.1
83.04935	0.8
84.04500	10.1
85.02895	100.0
85.04838	7.7
85.06520	1.0
87.04474	2.7
89.03904	54.6
89.06019	5.2
91.03945	9.2
92.27439	0.8
95.04948	3.5
95.58421	0.9
97.02873	21.6
98.02143	0.8
99.04436	8.7
101.02367	11.6
101.09673	0.9
103.03909	1.3
107.04951	8.3
109.02892	5.0
115.03905	1.7
116.07082	1.7
117.03369	40.4
117.05509	2.9
117.07388	3.5
126.39455	0.7
127.03902	16.8
130.05022	0.8
131.05318	2.3
133.02834	1.1
134.67625	0.8
135.04401	66.1
145.02829	27.9
145.03830	1.3
145.04903	1.4
160.94614	0.7
163.03876	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38596	1.0
55.05517	1.1
61.02906	1.7
63.02366	1.2
67.05486	1.9
69.03416	2.3
77.79578	1.2
79.05473	13.4
85.02894	7.8
89.03899	89.8
89.16525	1.0
92.09122	2.5
95.04929	2.3
97.02850	1.2
103.05440	2.2
107.04943	16.3
115.15879	1.0
117.03358	74.8
117.40676	1.1
127.42667	1.0
131.04918	2.4
134.49336	1.1
135.04391	100.0
145.02831	38.6
145.03893	1.8
163.03873	90.5
175.15762	1.0
181.02766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0388
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03925	1.0
55.05488	1.8
57.03424	0.8
57.07050	3.7
57.18719	0.6
57.59045	0.7
61.11422	0.7
63.02349	0.9
68.90936	0.7
69.03401	3.2
69.07039	0.9
74.72450	0.7
79.05465	12.1
81.03404	0.9
85.02876	5.7
89.03894	68.5
89.06003	1.7
91.05467	1.4
93.07004	2.0
95.04932	5.1
96.83241	0.7
103.05429	5.2
105.07043	1.5
107.04953	13.2
107.08562	4.6
112.99006	0.8
117.03352	50.3
121.02867	1.1
121.06405	1.2
121.10072	2.0
122.03624	1.1
127.16308	1.0
131.04906	2.0
132.02029	3.6
135.04387	77.4
135.07965	0.9
135.11650	1.4
145.02823	34.3
145.03926	2.1
163.03864	100.0
163.11081	1.6
184.76508	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.6
57.07069	17.7
58.61740	0.8
62.92973	9.0
77.50890	1.0
78.99721	1.1
85.02880	1.1
89.06030	8.4
92.09126	1.4
97.00797	8.6
101.09599	1.5
102.96834	1.8
116.96613	1.8
119.01935	1.5
119.02770	3.8
120.97883	2.1
121.00764	38.2
121.01617	3.8
121.06466	1.3
121.96615	20.3
135.04396	5.2
137.03874	2.0
138.98935	1.7
139.01799	71.2
139.98213	1.5
145.00703	1.6
163.01796	46.2
163.03882	6.7
163.07530	1.3
181.02844	100.0
182.03146	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.04470	0.8
52.26038	0.8
54.34441	0.7
55.05508	14.8
63.26052	0.9
67.05486	5.6
69.07047	10.0
79.05482	13.9
81.07039	18.4
85.76594	1.0
91.05457	35.2
91.35046	1.1
93.07017	15.3
95.04940	2.2
95.08559	1.8
103.05453	2.0
105.07011	89.5
107.08584	5.8
117.07024	8.0
119.08560	100.0
121.10105	4.3
131.08556	12.0
133.10103	40.4
144.09331	1.0
146.10858	2.1
159.11635	2.3
159.38736	1.0
161.09647	1.5
161.13228	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0759
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
54.81778	0.3
55.01868	0.3
55.05482	0.3
56.05029	17.7
57.03427	1.3
58.06580	1.4
60.08132	0.6
61.02907	1.6
65.19743	0.3
66.34142	0.3
67.32569	0.3
69.03411	1.4
71.67379	0.3
73.02898	0.6
74.06062	9.0
76.50327	0.3
81.03407	0.4
82.92986	0.3
83.08579	0.4
84.04487	100.0
85.02885	5.0
85.06535	0.3
89.03921	1.1
89.47960	0.3
92.08993	1.7
92.55518	0.3
95.01315	0.5
97.02920	0.4
98.06037	1.7
99.04444	1.4
102.05518	6.1
103.03927	1.6
104.22217	0.4
116.07070	33.6
116.10712	1.4
117.03384	0.7
120.01995	0.4
120.06549	5.0
121.01639	0.4
123.92747	0.3
130.02187	0.4
130.04971	14.6
135.04401	1.7
144.03273	0.4
144.06560	1.9
145.04955	4.2
162.07594	4.6
162.11229	1.8
163.03911	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34734	0.3
53.03926	0.8
54.81477	0.5
55.01856	1.9
55.05503	5.1
56.05023	0.6
56.96555	3.5
57.03175	0.4
57.03430	5.6
57.96355	0.3
58.06578	1.8
58.99838	1.5
59.04979	2.0
60.04525	2.6
60.05605	0.3
60.08153	2.7
61.02910	2.7
67.22781	0.4
68.71566	0.3
69.03411	3.9
69.07051	0.5
69.88484	0.3
70.06566	2.4
71.01336	0.7
71.02969	0.6
71.04946	1.3
72.08138	5.9
73.02886	3.1
75.01895	0.5
77.00850	0.8
81.03385	1.8
82.01422	1.6
82.02669	0.5
82.99827	0.9
83.00784	0.8
83.01294	0.8
83.04974	3.4
84.02406	0.4
84.04501	3.6
84.05270	0.5
84.08136	6.1
85.01386	0.6
85.02873	4.9
87.04441	1.6
88.02644	0.5
91.02431	0.5
92.01275	0.4
93.20006	0.4
94.02682	0.4
95.52332	0.4
96.02402	0.6
96.08080	0.9
97.02856	4.1
97.08442	0.5
98.01246	0.4
98.03919	0.4
98.06011	0.8
98.09613	0.4
98.97577	3.7
100.02455	3.5
101.00861	17.7
101.01587	0.8
101.02373	2.6
101.03432	0.4
101.05975	3.4
101.30229	0.4
101.53204	0.4
102.00930	0.6
102.06345	0.6
102.53931	0.3
103.02413	3.1
103.03105	0.7
104.10718	0.8
105.02047	0.8
105.02892	0.7
107.01807	0.7
107.05238	0.6
108.71081	0.4
109.02918	0.4
110.02135	1.9
110.52255	0.5
110.97550	0.4
111.02103	0.4
111.02908	0.5
111.03740	0.4
111.04450	1.6
113.00903	0.8
113.02384	0.4
114.92552	0.4
115.02410	1.4
115.03199	0.7
115.03925	1.4
116.02409	0.3
116.05763	3.0
116.07066	2.4
116.98597	2.2
117.02885	0.5
118.03499	2.3
119.01895	100.0
120.01949	5.2
120.03360	0.5
121.01588	0.7
121.03435	2.1
123.54468	0.5
128.98578	0.7
129.01802	2.7
129.03065	1.4
129.03946	0.8
130.04832	0.4
130.08621	0.8
131.01872	3.9
132.02063	0.4
133.03442	7.8
134.03557	1.7
134.99625	0.5
135.03145	0.4
137.02930	44.7
138.02980	0.7
142.03484	2.3
143.01886	2.8
143.03540	2.9
144.06575	0.8
144.10139	0.6
145.03473	2.1
147.05011	2.5
149.02829	1.2
151.04547	2.1
157.03442	1.4
158.03558	0.5
158.99734	0.6
159.03177	0.5
159.05011	2.0
160.04556	0.8
160.13283	4.5
161.01544	0.6
161.02898	8.9
161.04373	0.5
161.13724	0.8
162.03229	0.5
173.02934	1.7
175.04514	0.6
177.02371	0.7
179.03961	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	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46361	0.4
57.61103	0.5
64.33148	0.4
92.09014	1.8
95.09092	0.5
100.02426	0.5
101.00861	19.3
102.00922	0.8
111.04446	0.6
116.05765	1.0
119.01897	100.0
120.01971	4.3
134.06812	0.4
137.02933	39.5
137.49950	2.3
138.00066	0.6
138.02986	2.3
138.49887	0.9
142.03503	0.7
143.03615	3.9
149.50839	0.8
150.00607	0.6
161.02896	3.6
161.04652	1.7
164.88741	0.5
166.16290	0.4
179.03984	6.9
179.05550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0811
Annotation	UNII-218WD6K9H0
Peak:m/z	Relative Intensity
51.71924	0.3
55.01839	0.4
55.05499	4.4
55.53621	0.3
56.05066	0.3
68.05006	0.5
69.03419	1.8
70.06573	100.0
71.02971	0.4
72.08133	12.4
84.08134	1.7
86.06059	2.0
86.52685	2.3
87.00826	1.8
87.02789	0.4
95.01311	0.6
95.53203	1.5
96.03276	0.4
98.06046	5.2
98.97540	0.5
100.02460	2.6
112.07584	42.8
113.02342	0.4
114.05495	3.8
116.07065	19.2
116.97195	0.4
116.98518	0.4
118.03493	2.6
119.01897	0.6
121.01627	0.4
140.07043	7.5
140.79333	0.4
142.03491	0.6
145.03322	0.4
158.08122	11.0
158.09546	4.0
158.11722	4.6
167.78899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0421
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
61.27576	0.9
68.66486	0.8
69.96082	0.8
73.27082	1.0
74.09708	12.4
76.48122	0.8
77.35644	1.1
96.96868	1.4
110.07171	9.7
112.05288	1.0
130.06287	12.9
156.04207	100.0
167.82954	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0768
Annotation	Histidine
Peak:m/z	Relative Intensity
54.81738	0.2
55.01874	0.9
56.05035	0.9
56.96555	2.1
57.03448	0.8
58.99872	0.3
59.57213	0.2
60.80627	0.2
60.81348	0.2
61.02906	1.9
67.01878	0.3
67.05505	0.2
68.05019	0.9
70.95868	0.3
71.02983	0.3
72.08149	0.4
72.88741	0.2
72.93763	0.3
73.02904	0.4
78.52957	0.3
79.44734	0.2
81.04518	0.4
82.01430	1.2
82.05306	3.9
82.99835	0.3
83.00752	0.3
83.06088	10.3
85.02900	0.3
85.07664	1.0
91.00493	0.5
92.01290	0.5
92.09132	0.4
93.04510	8.5
95.01353	0.3
95.06072	8.0
97.02895	0.2
99.04478	0.2
100.01019	0.8
100.02469	4.7
101.00861	6.5
101.02554	0.9
110.07149	100.0
111.05505	1.6
112.01022	0.2
113.01767	0.2
114.05518	0.3
115.27411	0.2
118.03526	2.1
119.01899	36.4
119.03591	1.0
120.01919	0.4
121.01548	0.9
124.02356	0.3
131.01945	0.3
132.05066	0.4
132.95850	0.3
133.03423	2.7
134.75084	0.2
137.02942	13.5
137.04019	0.4
142.03482	16.0
145.03467	0.3
150.96855	1.5
151.04474	1.1
153.89844	0.2
156.04124	0.3
156.06573	0.5
156.07651	12.3
160.04520	6.8
168.01393	1.1
168.99742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03931	2.0
55.05499	17.2
55.05717	2.0
59.04985	3.1
66.22255	1.7
67.05491	3.7
69.07063	12.7
71.04982	48.7
73.06538	26.0
79.05475	23.7
81.07037	100.0
91.05449	7.0
92.08794	9.1
93.07026	37.4
95.04911	3.2
95.08577	4.1
97.06511	3.5
107.08577	32.4
109.10171	13.8
111.04380	1.7
119.08555	1.8
125.05917	2.0
135.11665	30.4
153.12701	21.6
157.34972	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03930	1.7
54.81719	1.4
55.05502	15.3
57.03424	3.1
59.04971	6.9
59.89386	1.3
67.05489	6.9
68.29738	1.6
69.03429	1.6
69.07047	8.9
69.12376	1.3
71.04606	2.9
71.04970	54.4
73.06529	26.5
79.05470	24.0
81.07036	100.0
83.08569	1.8
91.05458	8.9
92.08971	6.7
93.07022	41.5
95.04926	7.7
95.08587	7.4
97.06522	7.5
98.00777	1.5
103.43002	1.6
105.06998	1.9
105.63172	1.4
107.08567	35.5
109.10163	6.4
111.08060	6.1
120.98260	1.5
125.85343	1.8
135.11661	33.7
137.86494	1.8
144.39867	1.6
153.09081	1.8
153.12727	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.11600	0.3
53.03934	1.4
55.05504	4.8
57.03424	0.7
57.07061	0.7
59.04981	0.6
60.60611	0.3
65.03933	1.3
67.05496	12.3
69.03411	0.6
69.07054	8.3
69.28542	0.4
71.04975	1.5
77.03890	0.4
79.05473	9.5
80.71799	0.3
81.07035	13.5
83.04981	3.8
83.08595	1.5
91.04956	0.6
91.05465	10.9
92.08640	0.4
92.09157	0.7
93.07024	67.6
95.04968	3.3
95.08585	58.9
96.08826	0.4
97.06516	6.9
105.04541	0.5
105.07021	4.0
107.08579	100.0
108.08923	0.4
108.39978	0.4
109.06501	1.9
109.10147	9.3
111.08042	0.7
119.06042	0.5
119.08577	0.5
123.07977	0.5
125.09640	0.4
126.24011	0.4
135.08058	2.2
135.11671	40.0
153.09100	0.5
153.12712	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.41109	2.8
55.01860	3.1
55.05490	21.2
55.72422	2.9
57.03424	28.9
57.31739	2.7
57.99203	3.0
59.04980	7.9
67.05489	5.1
69.03418	33.8
69.07045	13.4
71.04977	58.3
73.02908	5.6
73.06532	23.2
77.26830	2.7
79.05462	31.4
81.07037	100.0
81.66730	2.9
85.09788	2.6
88.13867	3.1
91.05441	7.8
92.08589	3.2
92.09128	13.2
93.07014	58.9
95.04931	6.2
95.08579	5.9
97.06498	4.1
99.04436	5.8
107.08585	36.0
109.06493	5.3
109.10135	5.2
111.08041	4.2
117.05466	5.0
135.11702	38.6
153.12721	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
55.05500	13.5
59.04991	3.7
59.60129	2.1
67.05509	3.6
69.07056	12.1
71.04981	48.2
73.06545	26.4
73.68726	2.0
79.05466	24.7
81.07038	100.0
81.94000	2.3
91.05466	11.0
92.08650	4.2
92.09238	7.3
93.07034	44.1
95.04948	5.0
95.08598	14.2
97.06506	8.3
107.08575	55.7
108.73441	2.3
109.06497	3.4
109.10145	10.1
111.08035	2.9
135.11696	44.5
146.42091	2.4
153.12704	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.75912	1.4
52.99346	1.7
53.03931	3.4
53.52277	1.9
55.05502	15.3
59.04989	4.1
64.38078	1.6
66.95473	1.9
67.05488	3.0
69.07043	11.5
71.04973	44.2
73.06539	22.4
79.05475	26.3
79.41242	1.9
81.07037	100.0
91.05466	4.6
92.08893	4.7
93.07020	38.0
95.04962	4.4
95.08586	9.3
106.36427	1.9
107.08568	31.1
109.06477	2.6
109.10127	4.5
111.08074	2.4
135.04382	31.7
135.11671	29.4
152.63100	2.8
153.12714	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0705
Annotation	2-Amino-2-phenylacetic acid
Peak:m/z	Relative Intensity
56.36486	0.2
63.94508	0.1
69.79334	0.2
79.05472	14.1
82.00066	0.2
92.08915	0.2
102.22460	0.2
106.06533	100.0
107.06860	0.8
134.05986	25.7
135.49788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	2-Amino-2-phenylacetic acid
Peak:m/z	Relative Intensity
50.15942	0.1
52.55412	0.1
53.03924	0.1
53.32737	0.1
55.05503	0.4
57.03419	0.2
59.04982	0.2
61.62701	0.1
66.62383	0.1
79.05473	14.5
81.07027	0.2
88.31938	0.2
89.83182	0.1
91.05462	0.3
95.04955	0.3
106.06536	100.0
107.04948	0.4
107.06870	0.9
114.54811	0.2
117.06972	0.2
134.05989	26.1
143.07320	0.2
152.07057	0.7
161.02965	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51950	0.2
79.05478	13.1
84.92844	0.2
92.08772	0.4
92.09273	0.3
106.06543	100.0
107.06890	0.5
132.85869	0.2
134.06001	25.7
164.98303	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	Car-3-en-5-one
Peak:m/z	Relative Intensity
53.03926	3.9
54.48984	1.6
55.05235	3.5
55.05503	100.0
59.04955	2.3
59.75359	1.9
67.05497	23.3
69.07060	3.2
79.05470	14.0
81.07035	53.0
88.66416	2.0
91.05459	15.3
92.08794	3.6
93.07021	15.1
95.04953	11.8
95.08581	17.1
97.06516	13.5
99.21152	2.0
105.07013	18.9
107.08559	27.7
109.06508	27.0
109.10135	47.6
121.10125	2.3
123.08046	9.6
123.11668	18.8
128.37607	2.2
133.06502	2.4
133.10130	9.6
146.76598	2.1
151.03943	2.6
151.07524	8.2
151.11162	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
55.01848	3.4
55.05500	10.8
57.03428	2.1
57.07084	2.3
66.54823	1.9
67.05490	54.7
69.03413	2.2
69.07050	2.9
71.04969	3.9
76.79044	1.9
79.05478	47.1
81.03387	3.5
81.07038	64.5
83.04961	8.2
85.06515	3.6
91.05459	51.8
92.09131	12.2
92.64473	1.7
93.07022	43.8
95.04937	12.9
95.08594	18.8
105.07009	87.0
107.08579	67.9
109.06517	26.5
109.10149	46.2
123.08077	4.4
123.11678	12.7
133.06476	8.0
133.10109	76.8
151.03882	11.1
151.07562	4.6
151.11166	100.0
152.11513	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	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27649	0.4
53.03930	1.2
55.05504	6.2
57.07056	0.6
65.03928	2.0
67.05495	3.8
69.07056	12.4
70.12100	0.5
79.05476	13.0
80.77549	0.5
81.07038	17.6
90.46599	0.5
91.05462	16.8
92.09177	2.1
93.07024	60.9
95.04945	3.1
95.08571	3.0
103.05434	0.5
105.04491	0.8
105.07017	12.3
106.04118	0.6
107.08575	100.0
109.06498	4.0
109.31963	0.5
119.06049	1.2
119.08589	1.1
121.02828	1.2
121.10122	49.1
123.08080	1.2
149.02332	3.6
149.05927	0.5
149.09622	1.1
149.13234	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
50.29036	0.6
51.41398	0.6
55.05490	3.4
57.07057	2.8
64.33623	0.6
65.03908	0.8
69.07074	2.2
75.33289	0.6
77.17303	0.7
79.05478	7.4
80.20808	0.6
81.07022	0.8
91.05467	7.2
92.08984	5.7
93.07025	11.5
95.04970	1.0
101.27472	0.7
103.05459	1.5
104.53204	0.8
105.07014	23.3
107.08575	30.0
109.06536	0.9
119.08566	8.9
120.09358	1.4
121.10117	100.0
123.08065	6.7
131.04915	0.8
133.07588	1.4
134.10825	0.7
149.02330	1.3
149.09604	1.2
149.13229	23.1
163.95071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
52.74657	0.8
53.03917	1.1
55.05504	10.5
57.03419	1.3
57.07060	6.1
65.03909	3.5
65.15848	0.7
65.17750	0.7
67.05483	1.8
69.07052	32.7
79.05472	18.7
81.07044	7.1
91.05461	25.1
92.08633	0.9
92.09158	3.8
93.07024	49.7
95.04930	5.1
95.08557	4.0
99.24017	0.8
105.07012	27.9
107.08575	100.0
107.74901	0.8
109.06485	3.6
119.06039	1.2
119.08563	6.7
121.02822	4.7
121.10115	56.4
123.08044	4.5
133.07603	1.6
134.10889	1.6
137.34515	0.8
149.02316	9.4
149.09604	1.4
149.13234	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.055
Annotation	4-Hydroxymandelonitrile
Peak:m/z	Relative Intensity
51.02400	0.2
53.03926	0.4
57.07063	0.3
67.93559	1.6
68.14088	0.2
72.54773	0.2
72.93769	0.4
77.35391	0.2
90.94820	0.2
92.09197	1.0
93.30343	0.2
95.04928	1.0
96.88416	0.2
104.04980	11.8
105.07001	3.0
108.95844	0.4
132.04431	100.0
133.04817	0.9
135.04446	0.3
140.95082	0.5
143.01889	0.2
146.97400	0.2
150.02654	0.9
150.05463	0.2
161.02892	0.4
161.53394	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23449	0.5
51.69985	0.5
53.00301	1.1
53.03918	0.5
53.43204	0.5
54.61971	0.5
55.01862	0.6
55.05499	1.0
55.82539	0.4
56.96556	0.8
57.03417	3.8
59.04992	76.0
61.02906	0.5
65.03918	4.3
67.93544	0.8
72.63379	0.6
73.06540	100.0
78.47169	0.6
79.05473	2.8
81.07044	0.7
84.78020	0.7
85.02861	1.0
91.05451	3.9
93.03380	1.2
93.07024	6.5
95.04949	0.9
103.03939	0.6
103.05434	5.9
105.07008	2.5
107.08583	6.3
111.04426	1.1
121.02831	6.1
121.03980	1.1
121.06472	3.0
121.10126	4.7
131.04898	9.2
131.08519	1.0
148.48428	0.6
149.02324	16.1
149.05968	3.5
149.08531	0.6
149.09595	5.1
149.13266	2.5
149.97720	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.0
55.05493	3.9
57.07052	2.1
58.05925	0.8
65.03927	1.7
67.05480	1.5
69.07043	5.6
70.45904	0.7
79.05460	8.9
81.07027	5.0
91.05444	11.5
93.07024	19.8
95.04944	1.3
103.05447	1.6
105.04514	1.1
105.07014	22.4
107.07864	1.8
107.08567	40.2
109.06491	1.4
117.03382	1.0
119.08568	7.8
121.02843	4.6
121.03954	1.2
121.06467	1.6
121.10115	100.0
123.08023	5.1
131.04871	1.6
131.08578	1.5
133.07552	1.5
134.10831	1.1
149.02330	11.3
149.06009	2.0
149.09628	7.1
149.13228	33.3
149.14346	1.7
168.76328	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03949	1.1
55.01857	2.4
55.05475	2.0
65.03913	4.6
67.05471	1.6
69.03415	2.3
69.07038	1.3
79.05474	14.3
81.07037	4.9
89.03885	2.2
91.05456	42.3
92.08879	4.7
93.07016	32.0
95.04948	5.2
99.37820	1.1
103.05442	7.2
105.06361	1.6
105.07012	26.8
107.04887	4.6
107.08575	16.9
109.06515	2.0
110.78736	1.2
115.05424	2.6
116.06224	16.0
117.03281	1.9
119.08543	6.5
121.02844	6.1
121.06487	29.6
121.10118	39.1
123.08014	5.1
128.36362	1.1
129.06973	2.0
131.04875	2.5
131.08531	24.2
133.07530	1.4
149.02338	16.8
149.05991	10.7
149.09593	100.0
149.13205	9.5
153.26387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03928	1.5
55.01849	1.5
55.05489	4.3
56.09700	0.8
59.48763	0.8
65.03901	1.5
67.05478	1.2
69.07059	8.8
69.96787	1.0
78.34872	0.9
79.05467	16.0
81.07025	5.7
91.05460	25.4
92.08762	1.5
92.09224	1.9
93.03333	1.2
93.07022	39.4
95.04947	5.0
97.77907	0.9
103.05417	1.7
105.07000	21.3
106.07816	1.2
107.04938	25.5
107.08572	33.2
109.06480	1.9
116.06192	4.0
119.08550	1.9
121.02831	4.4
121.06467	3.7
121.10113	34.5
123.08025	2.1
131.08530	10.4
133.07571	1.0
149.02307	12.7
149.05998	2.0
149.09596	100.0
149.13225	20.2
169.03967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
55.01870	2.3
55.05499	3.5
58.31642	1.1
65.03925	8.2
67.05478	2.5
69.03419	2.6
69.07047	2.8
70.02008	1.2
79.05473	16.6
80.29077	1.7
81.07034	2.0
89.03893	2.5
89.51332	1.4
91.05460	33.7
92.08978	2.3
93.03371	1.6
93.07026	38.2
95.04942	6.1
101.37546	1.6
103.05453	6.3
105.07014	26.2
107.04929	6.2
107.08588	18.6
109.06492	3.2
116.06201	10.2
117.03357	2.0
119.08569	5.5
121.02858	7.2
121.03994	1.9
121.06479	28.3
121.10124	30.9
123.07995	2.3
129.06985	6.0
131.04880	12.3
131.08557	16.8
133.07584	1.6
149.02348	25.6
149.06013	12.3
149.09601	100.0
149.13251	9.1
166.18268	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
50.58633	0.9
53.02445	0.8
53.03938	0.8
54.81876	1.0
55.05502	13.5
56.33712	0.9
59.87202	0.9
60.39378	0.7
65.03919	1.6
67.05488	2.1
69.03419	9.2
69.07053	4.0
71.04950	0.8
79.05460	7.2
83.04941	1.4
85.02875	3.6
87.04453	1.2
91.05462	39.1
93.07020	1.7
95.04930	0.9
103.05434	5.3
105.07009	78.2
107.08576	7.3
117.07008	13.2
119.04921	11.5
119.08556	96.0
120.28551	1.0
129.06947	1.2
130.07687	1.0
131.08621	0.9
132.09306	6.5
145.10092	8.2
147.04399	9.4
147.08002	5.5
147.11664	100.0
156.32753	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0605
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
54.81077	0.2
55.01865	0.3
55.05502	0.3
56.05032	5.2
56.96557	1.4
57.03429	0.5
57.07062	1.6
58.03735	0.3
58.66778	0.3
60.04242	0.3
60.04519	7.6
61.02916	1.1
63.70568	0.2
64.32549	0.2
64.47440	0.2
67.05494	2.6
69.03411	1.6
70.02950	2.0
70.03757	1.9
71.01342	0.5
71.04981	0.3
72.08138	1.5
73.66681	0.3
74.02424	4.7
76.38402	0.2
84.04494	100.0
84.08131	7.9
85.02901	3.3
85.04316	0.3
85.04835	1.5
85.06532	13.9
85.08482	0.4
85.51911	0.5
86.03216	0.4
86.52676	0.4
88.03982	13.3
88.07603	0.3
92.09229	0.5
94.52419	7.1
95.02518	1.7
95.04965	0.4
95.52324	1.2
95.53183	1.1
98.97568	0.4
100.02464	1.5
102.02197	0.3
102.05527	21.4
102.09161	7.1
103.52957	1.8
106.03136	0.3
106.05021	8.6
106.06544	0.3
108.70368	0.2
111.02009	0.4
112.04797	0.3
113.02389	0.4
115.52937	1.5
116.98605	0.4
118.03493	0.3
124.53434	1.7
130.04985	17.0
130.05962	0.6
130.08644	1.3
131.03380	0.4
131.05312	0.3
148.03973	0.3
148.06026	4.1
148.09721	3.3
149.02332	0.6
156.01378	0.3
161.02966	0.3
165.02286	0.4
166.43591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81641	0.8
55.05487	0.7
65.03919	5.4
69.03418	1.5
76.55177	0.7
85.02903	0.8
91.05460	82.8
92.08822	1.3
92.09294	0.9
105.07010	8.7
119.04916	100.0
119.08546	8.8
128.59677	0.8
132.42584	0.7
147.04382	71.8
147.08069	1.4
147.11670	9.4
148.16272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0652
Annotation	3-Hydroxy-5-oxohexanoate
Peak:m/z	Relative Intensity
53.00307	0.7
53.03950	4.9
55.01868	10.8
55.05505	15.5
55.05761	1.0
56.05017	2.9
56.96542	2.7
57.03428	16.0
59.04990	1.4
60.04511	3.4
60.05641	0.5
61.02914	9.6
65.03918	1.4
66.71251	0.5
67.05487	0.9
68.99809	0.5
69.03416	100.0
70.03703	0.7
70.06576	2.1
71.01358	1.1
71.04977	11.7
72.08134	0.7
73.02903	5.8
75.04443	0.7
81.03408	6.5
83.00774	0.6
83.04970	28.1
84.04489	67.3
84.08125	18.0
85.02891	39.7
85.06525	0.8
85.51900	2.2
86.06065	0.7
87.04456	11.6
87.06388	1.2
88.03964	4.5
88.04785	1.1
91.05471	1.4
92.09018	0.7
94.52419	22.5
98.97574	1.0
99.04428	7.0
100.02481	3.4
101.01698	8.6
101.06004	0.7
101.07121	0.8
102.05515	8.2
103.03931	3.2
103.52968	4.6
105.02080	0.8
106.04998	0.9
107.01815	1.1
111.02092	0.7
111.04417	12.5
112.07674	0.7
115.52921	3.2
116.98637	0.7
117.05423	1.1
118.03493	0.6
119.04904	4.2
120.02525	1.0
124.53433	2.5
126.04012	0.6
129.03087	0.9
129.05460	5.5
130.04979	22.2
130.08615	6.9
141.38123	0.5
144.05031	1.2
147.01254	0.9
147.02293	1.1
147.04427	1.4
147.06578	4.1
147.07562	0.9
147.09589	1.1
147.11256	0.7
148.06050	0.7
156.01404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05502	1.1
65.03922	5.7
69.07057	0.6
78.08815	0.5
83.08571	0.7
90.48845	0.6
91.05463	75.1
92.08896	1.7
105.06991	2.9
119.04922	100.0
119.08559	3.5
147.04393	66.5
147.11673	2.9
154.29669	0.5
168.04329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.52643	0.8
63.46483	0.7
65.03923	6.1
69.07057	6.8
82.24643	0.8
87.22522	0.8
91.05460	77.0
92.08927	3.5
105.06977	3.9
119.04919	100.0
119.08535	6.7
120.23883	0.7
122.22745	0.9
123.62562	0.9
147.04390	65.3
147.11665	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	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.36290	0.7
55.38026	0.7
61.97443	0.7
65.03919	5.1
65.88376	0.7
79.05437	0.8
86.36811	0.9
89.88009	0.9
91.05464	83.4
92.09098	3.6
97.49939	0.9
105.07012	6.1
119.04920	100.0
119.08544	5.5
147.04393	69.1
147.11665	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	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05504	0.7
60.95632	0.6
65.03926	6.2
69.03420	0.9
71.86349	0.6
91.05460	81.0
92.08757	3.4
92.09353	1.6
105.07008	4.8
109.40882	0.7
119.04919	100.0
119.08564	4.0
125.80381	0.7
147.04388	66.0
147.11690	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	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
54.81721	0.7
55.05508	0.7
65.03925	5.5
70.98125	0.6
78.99854	0.6
89.96980	0.7
91.05459	77.9
92.08652	2.3
92.09280	3.3
98.07834	0.9
105.07024	11.0
119.04917	100.0
119.08552	9.4
123.96418	1.1
147.04385	70.8
147.11627	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	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.5
55.05499	1.4
57.03422	0.5
60.48675	0.6
62.31213	0.5
65.03925	5.7
66.66295	0.4
69.03408	3.0
74.08056	0.5
80.14217	0.5
83.01977	0.6
83.04961	0.6
91.05464	84.3
92.09019	4.4
100.48695	0.6
105.07010	9.2
111.04408	0.7
119.04921	100.0
119.08551	7.5
123.96468	1.1
147.04395	70.8
147.11682	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	147.0437
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.46306	0.6
65.03929	6.5
68.96960	0.9
69.03413	1.1
80.16515	0.8
91.05457	82.4
105.06997	2.9
111.51413	0.8
119.04914	100.0
119.08551	3.7
123.96414	1.2
134.94241	0.7
147.04384	77.4
147.11618	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0437
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05504	2.4
64.92771	4.1
65.03903	3.0
69.03416	12.7
77.27188	1.8
79.72747	1.9
84.04493	2.0
84.08143	2.5
85.02870	3.2
90.64195	1.8
91.05455	90.0
92.09059	2.1
95.84390	1.8
96.16531	1.7
105.07014	10.8
119.04912	100.0
119.08569	12.5
123.96420	17.7
147.04388	72.0
147.05374	3.4
147.08034	2.5
147.11668	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01868	2.6
55.05507	5.3
56.05024	1.5
56.96545	3.6
57.03436	8.0
60.04522	0.6
60.05350	0.9
60.05637	19.3
61.02898	3.5
65.03925	0.5
69.03417	24.4
70.03743	0.7
70.06589	0.8
70.69219	0.6
71.04971	2.5
72.08133	7.6
73.02892	4.6
77.00842	0.6
78.52939	1.5
81.03403	3.2
81.52965	0.6
82.01407	2.8
82.02705	0.6
82.06564	10.4
83.04959	6.6
83.06081	1.3
84.04491	28.7
84.08131	7.8
85.02894	8.3
86.06052	74.2
87.01868	1.3
87.04451	95.8
90.01546	0.9
90.02418	0.8
91.61476	0.6
92.01259	0.8
92.52682	1.1
93.53456	1.1
94.52404	0.7
95.51455	0.6
95.53214	0.8
96.02383	2.6
97.02855	3.8
98.03201	0.8
98.97558	3.5
99.04415	2.4
99.53412	1.1
100.02471	8.9
100.07596	19.1
101.00864	3.5
101.01690	5.5
101.02381	0.7
101.07113	1.0
102.00845	0.6
102.02229	1.4
102.05529	0.7
103.00584	0.6
103.02396	0.8
103.03183	1.3
104.07085	17.8
105.02131	0.8
107.03551	0.6
107.53161	0.7
111.04458	2.4
111.05538	10.4
112.03783	1.1
112.11196	1.2
113.00915	0.8
114.53999	0.8
115.02332	0.6
116.53632	0.7
118.03497	5.6
119.01877	8.8
120.03251	1.4
121.01682	4.4
121.03517	0.7
126.03391	0.9
126.82468	0.6
128.02312	1.4
128.04825	0.8
128.07155	1.8
128.08171	13.5
129.05359	0.6
129.06587	3.6
130.04980	13.9
130.08592	1.1
131.01886	5.0
131.04590	0.8
132.01990	0.9
133.01662	1.2
133.03435	2.7
134.04037	1.0
137.02901	1.3
142.03494	2.9
143.01811	1.1
145.03412	3.0
146.06026	3.6
146.08133	8.1
146.09218	100.0
146.10529	3.2
147.04987	3.5
147.06235	0.6
147.07632	0.9
148.05112	0.6
149.02936	0.8
157.03381	0.8
157.88873	0.7
161.02904	3.3
163.02811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0924
Annotation	4-Guanidinobutanoic acid
Peak:m/z	Relative Intensity
54.13337	0.4
55.01856	0.4
55.05497	0.9
56.05036	1.7
57.03414	1.0
58.06566	0.5
60.05351	0.9
60.05637	19.3
61.02917	0.5
69.03408	9.9
76.96155	0.5
82.06531	0.6
83.04945	1.8
83.06068	2.1
84.04466	2.4
85.02875	2.2
86.06049	70.7
87.04447	91.7
92.08613	0.8
92.09157	2.4
95.36647	0.4
100.07587	1.1
101.05947	0.4
104.07088	15.6
105.05466	0.6
111.04401	0.7
111.05544	9.6
118.06502	1.1
128.07191	1.3
128.08174	13.3
129.06595	4.7
130.04900	0.5
146.05994	3.0
146.09218	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	145.0496
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03939	9.5
55.01872	10.4
55.05504	1.5
57.03435	15.3
61.02916	22.5
62.92994	1.1
67.05515	1.1
67.88657	1.2
69.03419	40.7
71.04979	6.5
72.97837	1.1
73.02905	1.4
79.01502	1.1
81.03401	12.9
83.01331	4.5
83.08607	2.7
85.02894	100.0
97.02872	36.7
97.97105	0.9
99.04449	5.1
109.02866	8.5
121.96557	1.2
127.03905	7.5
145.04927	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	146.06
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
55.05507	1.2
56.96550	0.7
58.06580	3.6
61.02898	0.4
64.59162	0.4
64.88154	0.6
64.92780	0.5
71.04959	0.8
72.08134	42.9
75.09232	2.3
78.90672	0.6
81.03394	0.7
83.04959	1.1
84.08123	3.9
84.08939	0.7
86.06043	1.0
91.05456	15.9
100.07602	1.1
102.19756	0.6
106.07514	0.7
110.06031	0.7
112.11215	12.0
117.05727	4.0
118.06514	100.0
119.04996	0.6
128.04926	8.5
128.07079	0.9
129.13843	5.3
146.05986	68.8
146.07994	2.7
146.16498	4.6
153.05199	0.5
153.10776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	Indole-3-carboxaldehyde
Peak:m/z	Relative Intensity
55.05505	1.2
58.06588	4.7
69.03418	0.7
72.08138	62.9
75.09221	2.2
81.03388	1.2
83.04947	0.9
84.08138	4.8
85.02900	0.9
85.06528	1.3
86.06071	0.6
86.06873	2.1
86.09695	0.7
89.48980	0.6
91.05469	7.4
92.08841	1.1
92.09339	0.7
100.07584	2.1
100.11223	0.9
102.76217	0.6
110.06030	0.6
111.04429	0.9
112.11224	14.9
117.05746	1.2
118.06521	7.9
118.07294	0.9
119.04932	1.0
128.04938	31.5
128.07007	1.0
129.05438	0.5
129.13869	7.2
135.25233	0.6
146.05988	100.0
146.15503	0.7
146.16476	4.9
147.04507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0495
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
50.39395	0.8
53.00254	0.9
53.03939	11.4
55.01868	13.9
57.03427	15.4
61.02913	21.7
69.03414	36.7
71.04978	5.4
73.02895	1.7
81.03404	17.2
83.01330	5.2
83.08582	1.2
85.02885	100.0
89.03873	2.0
92.08813	5.5
97.02873	37.7
99.04431	2.2
109.02842	7.7
119.28806	1.0
127.03890	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	145.0495
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03928	7.1
55.01864	14.7
55.05495	5.3
57.03422	20.8
60.05627	3.0
60.13026	1.1
61.02923	8.9
69.03415	51.1
69.88274	1.2
71.01321	2.5
71.04959	8.1
73.02881	2.4
81.03400	11.4
83.01355	1.3
83.04945	1.7
83.06882	1.6
83.08588	4.7
85.02892	100.0
85.06516	2.1
85.08431	1.9
86.06056	24.2
87.04440	2.7
92.08974	1.9
97.02872	33.1
99.04436	22.0
100.02312	1.3
100.07571	1.9
109.02868	5.0
127.03883	7.3
128.08176	2.5
129.55576	1.3
144.10175	1.6
145.04916	4.7
145.06859	2.4
145.10556	43.5
146.09258	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	Stachydrine
Peak:m/z	Relative Intensity
50.22644	0.1
55.01854	0.1
55.05507	1.2
56.96551	0.4
57.03428	1.3
58.06313	0.2
58.06588	5.8
58.21817	0.1
60.04508	0.1
61.02903	0.4
64.32904	0.2
69.03417	1.7
70.06560	0.9
71.02946	0.2
71.04949	0.3
72.08136	0.4
73.42874	0.2
78.52947	0.3
80.52673	0.7
81.03395	0.3
81.04495	0.2
82.01406	0.2
82.04846	0.8
82.06557	2.0
83.04951	0.2
84.02315	0.2
84.08128	6.2
85.02882	2.4
86.52680	0.7
87.53458	0.2
90.02390	0.2
92.08984	0.7
94.02647	1.2
95.06098	0.2
95.53192	0.3
96.06404	0.9
97.02872	0.8
98.06035	0.9
98.09679	1.2
99.04414	0.3
100.02448	0.9
101.00844	0.9
101.02512	0.2
101.53201	0.3
102.05517	0.8
103.00611	0.3
103.02470	0.3
103.03173	1.8
110.53698	0.8
112.00950	0.2
112.03730	1.3
114.53942	0.4
115.36116	0.2
118.03520	0.2
119.01875	1.9
120.01978	0.3
121.01646	2.2
121.03477	0.2
121.04220	1.1
123.54403	0.6
126.05485	1.3
126.07423	1.2
130.04720	0.4
131.01909	0.7
132.55005	0.4
139.02652	0.8
142.03511	0.7
143.01825	0.2
144.03244	1.0
144.06575	2.6
144.10176	100.0
145.03455	0.3
145.10545	0.3
156.65726	0.2
161.02885	0.4
162.04312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22644	0.1
55.01854	0.1
55.05507	1.2
56.96551	0.4
57.03428	1.3
58.06313	0.2
58.06588	5.8
58.21817	0.1
60.04508	0.1
61.02903	0.4
64.32904	0.2
69.03417	1.7
70.06560	0.9
71.02946	0.2
71.04949	0.3
72.08136	0.4
73.42874	0.2
78.52947	0.3
80.52673	0.7
81.03395	0.3
81.04495	0.2
82.01406	0.2
82.04846	0.8
82.06557	2.0
83.04951	0.2
84.02315	0.2
84.08128	6.2
85.02882	2.4
86.52680	0.7
87.53458	0.2
90.02390	0.2
92.08984	0.7
94.02647	1.2
95.06098	0.2
95.53192	0.3
96.06404	0.9
97.02872	0.8
98.06035	0.9
98.09679	1.2
99.04414	0.3
100.02448	0.9
101.00844	0.9
101.02512	0.2
101.53201	0.3
102.05517	0.8
103.00611	0.3
103.02470	0.3
103.03173	1.8
110.53698	0.8
112.00950	0.2
112.03730	1.3
114.53942	0.4
115.36116	0.2
118.03520	0.2
119.01875	1.9
120.01978	0.3
121.01646	2.2
121.03477	0.2
121.04220	1.1
123.54403	0.6
126.05485	1.3
126.07423	1.2
130.04720	0.4
131.01909	0.7
132.55005	0.4
139.02652	0.8
142.03511	0.7
143.01825	0.2
144.03244	1.0
144.06575	2.6
144.10176	100.0
145.03455	0.3
145.10545	0.3
156.65726	0.2
161.02885	0.4
162.04312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1066
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
53.22649	1.1
55.05505	15.9
56.34231	0.9
56.96555	20.2
57.06816	1.0
57.07071	17.4
58.50511	1.7
59.04982	1.5
62.49132	0.9
65.03934	1.3
67.05498	7.5
67.51053	5.2
69.03408	6.5
69.07050	1.5
70.01308	2.4
71.04974	100.0
73.06538	11.4
76.51581	4.6
79.01835	39.7
79.05473	6.2
81.07053	1.7
83.04969	9.0
83.08598	9.4
85.06530	47.3
88.02356	52.9
88.52522	4.4
90.52614	5.2
92.08843	1.9
95.39175	1.0
97.02857	8.1
97.10143	14.8
99.53120	7.5
107.08572	34.6
114.74366	1.1
125.09612	27.3
143.10678	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.1
55.01859	0.6
55.05493	0.6
57.03426	4.0
58.06304	0.2
58.06588	5.8
58.99855	1.1
59.52182	0.1
59.99932	0.1
61.02914	1.6
65.03918	0.2
67.02154	0.2
67.40611	0.1
68.02630	0.1
69.01907	1.0
69.03416	4.3
70.03738	0.4
70.06563	0.1
70.25181	0.1
70.99821	0.1
71.04973	0.2
71.52161	0.2
72.08128	0.2
72.52951	0.2
73.02901	1.0
74.52668	0.1
75.01890	0.8
75.04447	0.6
75.51945	0.1
76.02671	0.4
77.00880	0.7
77.52163	0.1
78.02419	0.2
78.52939	3.0
79.03030	0.5
79.52792	0.2
80.02921	1.3
80.52679	5.5
81.01884	1.6
81.02719	0.7
81.03384	0.8
81.04518	2.8
81.51945	0.5
82.01428	1.2
82.02663	0.1
82.04220	0.4
82.04852	3.0
83.01486	0.2
83.03452	0.1
83.04971	1.1
83.05402	0.1
84.02423	1.2
84.08125	5.7
85.02136	0.2
85.02885	1.7
85.43284	0.1
85.53738	0.8
86.52682	4.9
87.02728	0.9
87.04440	0.2
87.52579	0.2
87.53455	1.7
88.02659	1.7
88.03500	0.2
88.52764	0.2
89.00897	0.2
89.02509	0.1
89.03432	1.3
89.53158	0.8
90.02394	1.9
90.03234	0.2
90.52431	0.2
91.03172	0.1
91.53714	1.5
92.03868	0.4
92.08910	0.2
92.52676	2.4
93.02745	0.5
93.53449	0.6
94.02647	6.3
94.52724	1.2
94.54195	0.2
95.01955	0.2
95.06067	1.2
95.53191	1.9
96.03281	0.2
96.05809	0.3
96.06386	2.4
96.52924	0.2
97.02721	0.3
97.03165	0.7
97.53247	0.2
98.09673	0.4
99.02905	0.5
99.04434	0.7
99.53444	1.1
100.02460	6.3
100.03481	0.3
100.54247	0.5
101.00861	4.0
101.02556	0.7
101.04280	0.2
101.53188	4.1
102.00915	0.8
102.02241	0.5
102.03307	0.8
102.05524	1.2
102.09145	0.9
102.52412	0.2
102.53986	0.1
103.00603	0.6
103.02441	1.5
103.03161	11.3
103.53246	2.2
104.10722	1.1
105.53436	3.6
106.03535	0.8
108.03250	0.1
108.53980	0.9
109.02896	0.2
110.53709	6.2
110.54485	0.2
111.03746	1.3
111.04285	0.2
111.04463	0.3
111.53080	0.2
112.02959	0.3
112.03690	9.0
112.53768	1.5
113.00839	0.7
114.53142	0.2
114.53957	5.4
115.02440	1.1
115.03163	0.1
115.04041	1.2
117.54462	0.2
118.03497	3.8
119.01896	10.0
119.03587	0.5
120.01978	1.9
120.03246	0.2
120.53546	0.1
121.01640	4.3
121.02467	0.3
121.03448	1.3
121.04205	9.3
121.54276	1.9
122.04479	0.2
123.03899	0.1
123.54468	4.1
124.02437	1.0
124.04575	1.4
125.07084	0.7
126.03942	0.2
126.04781	0.1
126.06695	0.2
126.07446	2.7
127.02417	0.1
129.03934	0.1
130.04721	4.2
130.54782	0.7
131.01880	3.8
132.02003	0.6
132.54984	3.7
133.01628	0.1
133.03389	1.8
133.04283	0.2
133.04964	0.8
133.95622	0.1
134.03607	0.2
135.05121	0.2
136.02408	0.1
137.02933	1.2
138.03053	0.2
139.02669	1.8
141.55511	0.6
142.03484	5.1
143.01869	2.5
143.03566	1.3
143.08159	0.6
144.03204	1.4
144.08371	2.8
144.10175	100.0
145.03432	2.1
145.10510	0.2
146.03600	0.2
147.05017	0.2
149.02904	0.9
151.04446	0.2
154.03490	1.6
155.03630	0.2
156.05035	0.2
157.03453	2.1
158.03592	0.4
160.04523	0.6
161.02914	3.8
161.06479	0.1
162.03024	0.9
162.04271	0.5
163.04559	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1067
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
50.81703	1.2
52.15048	1.3
54.81704	1.5
55.05508	20.3
56.96317	1.7
56.96557	26.0
57.07066	19.0
59.04992	3.0
59.29142	1.3
60.95837	1.6
62.89560	1.3
63.79839	1.2
65.39596	1.6
67.05477	8.5
67.51044	8.1
69.03399	6.9
69.07043	3.4
70.01315	3.2
71.04976	100.0
71.14372	1.4
73.06538	11.9
76.51553	7.3
79.01833	48.5
79.05459	2.8
79.52030	2.0
81.07035	3.0
82.10860	1.4
83.04960	9.9
83.08599	10.7
85.06525	49.4
88.02358	76.0
88.52543	2.3
90.52614	6.5
90.97039	1.6
92.09144	5.9
97.02870	10.0
97.10156	19.5
99.53134	3.3
107.08569	41.8
119.77741	1.4
125.09602	31.8
135.24059	1.8
143.10599	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	143.1067
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.01855	0.8
55.05506	12.3
56.96291	1.7
56.96559	42.8
57.07070	11.6
58.50520	2.9
59.04978	0.8
67.05486	6.6
67.51048	9.6
69.03408	3.0
69.07051	2.8
70.01282	5.6
71.04977	64.0
73.06536	7.7
76.51571	12.3
79.01834	58.8
79.05465	3.7
79.51993	3.4
81.07014	3.1
83.04967	7.4
83.08585	7.0
85.06528	35.1
85.52078	1.6
88.02358	100.0
88.52521	2.8
90.52606	5.1
91.05460	1.2
92.09068	1.3
97.02869	10.6
97.10149	11.9
99.53149	8.7
107.08572	26.1
125.07143	1.1
125.09608	22.4
128.06198	8.6
132.43115	0.9
132.44162	0.6
135.12286	0.7
143.03391	1.4
143.08559	7.9
143.10687	7.2
144.73657	0.7
159.94630	0.7
164.10861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03461	0.7
55.01863	0.8
57.03411	2.8
58.06586	0.7
58.99852	0.6
61.02918	2.4
68.05021	0.6
69.03420	2.5
69.04531	1.2
73.02895	3.4
73.35075	0.3
73.43353	0.3
77.00913	0.4
78.52930	0.4
80.52669	0.7
81.04524	100.0
82.01436	1.5
82.05303	2.1
83.06085	2.5
84.01192	0.4
84.08134	0.5
85.02886	1.6
86.52682	1.7
87.04585	0.4
87.53455	0.5
88.02660	2.7
90.02396	1.4
92.08947	0.8
92.64824	0.3
93.01903	0.4
93.53461	0.6
95.06072	57.5
95.53192	0.7
96.02403	0.3
97.02905	1.7
97.07652	2.6
99.05526	1.5
99.53458	0.4
100.02457	6.4
101.00846	4.4
101.02515	0.7
102.00928	2.5
102.02354	2.6
102.52498	0.5
103.03169	0.5
107.06049	1.5
107.53180	0.6
109.02858	0.5
110.04757	6.2
111.02924	1.4
111.05547	2.2
111.52988	0.5
112.03696	0.5
113.53180	0.7
115.02457	0.5
118.03487	4.0
119.01057	0.6
119.01901	15.1
120.01981	9.8
120.03329	1.2
121.01646	0.6
122.53708	0.6
124.02424	0.7
125.07095	64.4
126.09182	0.4
131.01860	3.6
131.54240	0.7
133.03442	0.5
135.34909	0.3
137.02940	4.4
138.03040	4.2
141.02687	0.3
142.03479	6.8
143.01884	1.7
143.03624	4.3
143.08138	60.2
144.10175	12.6
145.03487	0.3
149.02977	0.4
154.03453	0.8
155.01845	0.5
157.03416	0.5
160.04480	0.7
161.02974	2.4
161.04645	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0338
Annotation	5-Hydroxymethyl-2-furoate
Peak:m/z	Relative Intensity
55.01860	7.7
55.05502	5.2
56.96550	2.9
57.03428	0.6
59.04982	0.6
60.56894	0.5
61.02902	0.5
61.84330	0.4
61.99495	0.4
62.33883	0.4
66.69015	0.5
67.05480	0.6
69.03410	2.6
69.07046	3.0
70.06569	2.5
71.01317	1.0
71.04966	1.1
72.08138	3.4
79.05473	4.7
80.24422	0.4
81.04512	5.3
81.07043	1.2
83.01315	2.2
83.02435	0.6
83.04954	4.5
84.08107	5.0
85.02881	1.0
86.09663	0.7
87.04443	2.9
92.09097	0.7
95.06074	2.7
97.02863	64.6
97.06495	6.3
98.06042	2.7
101.00935	0.7
102.00936	1.3
102.96902	0.8
104.95429	0.5
107.08580	0.9
110.07138	0.8
111.00774	0.6
115.03915	1.1
119.01897	11.2
120.01962	16.6
120.97874	0.5
121.01664	1.3
125.02322	100.0
125.05971	2.5
125.07079	2.4
125.09611	2.3
126.05524	1.2
137.02913	4.8
138.03040	10.0
139.02643	0.5
143.03409	19.2
143.08141	6.9
143.11748	0.6
161.04683	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30491	0.4
54.81816	0.5
58.75480	0.4
58.99845	0.4
75.18048	0.4
82.99847	0.7
92.08577	0.5
92.09130	0.7
101.00866	20.1
101.01518	0.8
101.02567	0.7
114.22935	0.5
117.45638	0.5
118.03516	0.6
119.01902	100.0
124.02420	2.2
137.02933	33.4
137.49998	2.1
142.03479	33.7
160.04523	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77703	0.4
51.78539	0.3
54.81940	0.3
68.27120	0.5
70.06541	0.4
81.04533	3.6
82.01421	0.5
82.76298	0.4
82.99823	0.8
83.01481	0.4
83.83595	0.4
95.06050	1.9
98.01306	0.4
100.02443	2.2
101.00857	22.6
101.02545	2.3
103.70683	0.4
106.46958	0.4
118.03497	1.7
119.01889	100.0
124.02426	2.3
124.08675	0.7
125.07091	1.6
137.02927	36.1
142.03473	33.5
143.08139	0.7
160.04497	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	139.0389
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
55.05505	0.3
56.96557	3.2
57.98669	0.2
59.60432	0.2
65.03929	6.5
69.07027	0.3
72.51712	0.2
77.29264	0.2
79.05474	0.3
83.04955	0.3
92.09135	0.3
93.03368	3.5
93.07024	1.6
95.04942	1.6
95.08579	0.4
98.97561	3.4
111.04420	4.4
116.98590	3.0
121.02844	100.0
121.10081	0.3
122.03197	0.4
123.84720	0.2
134.99629	2.4
139.03880	7.3
139.07564	0.8
139.11200	0.3
151.09895	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Salicylate
Peak:m/z	Relative Intensity
51.52375	0.2
55.01843	0.2
56.96284	0.2
56.96556	5.2
58.75570	0.2
63.23803	0.2
65.03924	5.8
68.99776	0.4
70.06565	0.2
73.78165	0.2
78.23962	0.2
79.05456	1.0
81.03419	0.2
83.04959	0.4
91.05465	0.4
92.09109	0.6
93.03384	2.4
93.07000	1.6
95.04927	1.3
97.06504	0.4
98.96924	0.3
98.97562	7.7
107.50021	0.2
111.04411	3.5
116.97228	0.2
116.98587	6.4
121.02838	100.0
122.03175	0.4
129.35022	0.2
134.99628	4.4
139.03879	7.2
139.07527	0.3
153.00684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1117
Annotation	5,6-Dimethyl-5-norbornen-exo-2-ol
Peak:m/z	Relative Intensity
55.05509	18.2
56.96291	2.0
56.96561	40.8
59.04991	59.0
67.05492	13.0
69.03405	1.8
69.07053	2.3
76.73695	1.6
79.05466	12.7
81.07046	31.8
83.05000	2.0
91.05458	6.4
92.08801	2.0
93.07020	19.0
95.04938	3.4
95.08585	74.3
97.06496	14.4
97.10168	2.3
98.97569	51.8
105.07021	22.0
111.08074	1.6
112.32709	2.3
116.98610	43.9
119.08549	2.9
121.02831	7.1
121.04742	7.1
121.10117	100.0
123.08031	3.4
134.99637	30.8
139.11179	54.8
139.12221	6.2
153.00632	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	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02961	0.7
53.03926	1.2
55.01861	1.9
55.05489	5.1
55.38480	0.8
55.97746	0.7
61.15450	0.7
61.46824	0.7
65.03931	0.9
67.05487	37.8
67.05847	1.3
69.03398	3.4
69.07059	1.5
79.05480	6.8
81.03397	1.2
81.07034	25.0
83.04951	1.3
91.05453	17.8
93.07024	8.8
94.04157	4.5
95.04948	11.5
95.08583	13.2
99.82690	0.9
101.71774	0.8
103.05447	0.9
107.04922	7.0
107.08572	4.1
108.05725	0.8
109.06496	37.7
109.10132	35.0
117.06976	3.6
119.06049	1.4
119.08543	12.5
121.06502	1.3
122.03608	6.9
122.07262	32.5
137.02376	1.0
137.05940	20.2
137.09590	100.0
137.13199	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	137.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56719	0.4
53.03941	0.9
54.82017	0.4
55.05495	4.0
56.93063	0.4
57.06839	0.4
57.07072	6.0
67.05492	18.4
69.07059	11.4
79.05473	9.0
81.07040	100.0
87.39220	0.4
91.05455	2.7
92.09155	2.5
93.07024	4.3
94.04169	0.8
95.04971	1.9
95.08588	70.9
107.04934	0.5
109.06520	2.5
109.10149	5.9
110.34255	0.6
119.08559	0.9
122.03659	2.7
122.07249	0.9
137.02267	0.4
137.05928	7.0
137.09608	9.2
137.13232	16.4
139.66258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
51.56719	0.4
53.03941	0.9
54.82017	0.4
55.05495	4.0
56.93063	0.4
57.06839	0.4
57.07072	6.0
67.05492	18.4
69.07059	11.4
79.05473	9.0
81.07040	100.0
87.39220	0.4
91.05455	2.7
92.09155	2.5
93.07024	4.3
94.04169	0.8
95.04971	1.9
95.08588	70.9
107.04934	0.5
109.06520	2.5
109.10149	5.9
110.34255	0.6
119.08559	0.9
122.03659	2.7
122.07249	0.9
137.02267	0.4
137.05928	7.0
137.09608	9.2
137.13232	16.4
139.66258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03926	9.2
55.01854	1.9
55.05506	47.8
66.04695	2.2
67.05492	59.5
69.07046	6.6
71.04976	2.6
76.56277	1.8
79.05470	27.1
81.07053	20.9
91.05462	60.6
92.08835	2.1
93.07021	81.5
94.04151	9.2
95.01727	1.6
95.04951	71.9
95.08582	79.3
96.05738	1.7
103.05452	3.1
105.04491	2.0
107.04954	1.9
107.08541	4.1
109.06498	7.3
109.10144	28.9
117.06978	9.5
119.08551	25.8
122.03609	15.2
122.07256	2.7
137.04564	2.0
137.04773	2.4
137.05940	46.3
137.09592	100.0
153.40100	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
52.23505	0.7
54.33266	0.6
55.05503	0.7
57.71746	0.6
67.05495	15.4
79.05478	1.1
81.07026	4.1
91.05464	5.4
92.09040	3.3
92.64662	0.8
93.07014	2.9
94.04169	1.3
95.08576	5.6
103.05438	1.1
105.04513	0.8
107.04958	6.2
109.10148	22.7
119.08577	9.5
120.76130	0.8
121.06501	4.0
122.03627	3.3
122.07274	49.8
135.08044	1.3
137.05945	9.8
137.09599	100.0
138.72290	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.0
55.80201	1.1
67.05488	17.3
69.09625	1.1
79.05457	1.9
81.07030	10.4
91.05457	5.0
92.08735	3.9
92.09320	2.8
93.07010	1.9
94.04159	1.9
95.04939	1.9
95.08569	6.4
100.48411	1.1
107.04923	8.2
109.10139	26.5
110.21634	1.1
117.06973	1.3
119.08551	8.7
121.06471	2.0
122.03632	6.5
122.07259	55.0
130.31233	1.2
135.08025	2.1
135.98608	1.3
137.05951	14.6
137.09586	100.0
146.52885	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03930	1.8
54.81294	0.7
55.01852	1.5
55.05499	6.7
57.03407	0.6
57.07023	0.6
57.54406	0.6
63.65595	0.6
65.03908	1.5
67.05141	1.5
67.05490	36.5
69.03407	3.6
69.07034	3.1
79.05467	6.2
81.03387	1.5
81.07038	21.9
83.04967	1.7
91.05457	18.9
92.08919	0.9
93.07012	6.1
94.04159	1.5
95.04383	1.1
95.04945	14.4
95.08588	11.1
96.86391	0.7
105.07004	1.1
107.04942	7.2
107.08575	4.6
108.05753	1.3
109.06499	41.8
109.10143	43.9
117.07006	1.7
119.06027	1.6
119.08558	13.6
121.06468	3.3
122.06377	1.4
122.07255	35.1
128.91307	0.7
135.07988	1.3
137.09592	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	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03938	1.4
55.01847	1.0
55.05503	5.8
57.03426	0.7
57.07056	1.3
60.72324	0.6
65.03925	3.0
66.57128	0.7
67.05492	40.7
67.05850	1.6
69.03408	4.8
69.07066	2.9
74.03958	0.7
77.28434	0.7
79.05471	8.6
81.03395	3.6
81.07036	31.6
83.04974	1.6
91.05466	16.0
92.08962	4.8
93.07021	6.9
94.04156	4.2
95.04949	13.3
95.08587	21.3
97.32224	0.8
107.04936	9.4
107.08576	4.5
109.06502	42.1
109.10148	41.8
117.06977	3.4
119.06067	1.0
119.08565	11.1
121.06479	3.0
122.03632	6.4
122.07268	33.2
135.07927	1.0
137.05948	18.3
137.09595	100.0
137.13240	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	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
55.05494	0.7
67.05491	11.2
69.03403	0.6
79.05486	0.9
81.07030	3.1
91.05449	4.6
92.08897	0.8
93.07012	1.1
95.04932	0.7
95.08569	4.5
107.04944	7.6
109.09393	0.7
109.10133	18.6
117.07001	0.9
119.08566	9.6
121.06477	4.0
122.03638	0.5
122.07266	48.6
129.52580	0.5
135.08035	1.0
137.09596	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
64.33762	0.4
65.03927	0.8
66.04713	2.7
67.05482	0.6
78.35014	0.3
79.05466	2.5
81.07029	2.0
91.05463	3.5
92.08714	0.6
92.09271	0.7
94.04161	19.7
95.04895	0.6
95.43543	0.3
107.04985	0.3
109.06474	0.4
122.03622	37.0
135.04370	0.6
137.05951	100.0
138.06316	0.5
149.49857	0.4
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
53.03920	0.6
53.74380	0.4
55.01860	0.4
56.27542	0.4
57.55398	0.4
58.90066	0.4
61.17615	0.4
65.03922	0.6
66.04698	1.1
67.05489	0.7
67.95129	0.4
76.57194	0.4
76.97264	0.5
78.90342	0.4
79.05449	2.3
81.03391	1.9
81.07018	3.2
82.12830	0.4
91.05460	14.4
92.08913	1.8
94.04169	19.0
94.89469	0.4
95.04988	1.5
107.04930	0.7
109.06508	0.9
114.12122	0.5
119.04920	3.9
122.03625	34.5
137.02371	2.7
137.05948	100.0
137.10632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
52.67679	0.3
53.03941	0.3
65.03922	0.6
65.48521	0.3
66.04704	1.8
69.64941	0.2
77.03931	0.3
79.05481	2.2
81.07030	1.3
91.05458	1.6
92.08996	2.0
94.04167	17.6
95.04947	0.6
95.08605	0.3
101.50780	0.3
107.04925	0.6
109.06504	0.6
120.69034	0.3
122.03625	39.6
135.04410	0.5
137.05959	100.0
138.06313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.51642	0.3
53.88824	0.3
54.81306	0.4
55.01872	0.5
56.02645	0.3
66.04701	2.3
72.89543	0.4
79.05472	2.4
81.07029	2.5
91.05463	3.3
92.09200	0.5
93.07059	0.4
94.04170	15.1
95.08601	0.4
108.40275	0.4
109.06558	0.8
119.27048	0.3
122.03631	33.5
137.05962	100.0
143.32697	0.4
146.63135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	0.2
57.03419	0.4
57.59579	0.1
61.02912	0.1
69.03391	0.2
84.01182	0.2
85.02884	0.2
91.05448	0.2
92.08786	0.2
92.09323	0.2
94.04036	2.0
100.02445	0.8
101.00859	0.7
102.02202	0.1
107.01752	0.2
109.05054	0.5
113.52377	0.2
118.03493	0.3
119.01920	1.2
119.03523	5.1
131.01842	1.2
135.04942	0.1
136.06157	100.0
137.02940	0.3
137.04552	4.1
137.06577	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
52.71471	0.1
57.08989	0.1
87.03568	0.1
92.01298	0.2
92.02469	0.2
92.08722	0.1
92.09203	0.1
94.04029	2.0
109.05113	0.2
112.05053	0.2
113.01768	0.1
113.45601	0.1
119.03531	5.8
136.06165	100.0
137.04564	4.6
137.05597	0.1
137.06601	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	137.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
60.04516	0.2
79.63561	0.2
82.99821	0.5
83.31991	0.2
87.19888	0.2
92.09042	0.4
97.77486	0.2
100.02435	1.0
101.00857	8.7
103.38474	0.2
105.02165	0.2
108.16690	0.2
118.03495	1.3
119.01896	100.0
120.02006	0.3
121.02340	0.4
126.02706	0.4
132.82504	0.2
133.03447	0.5
137.02934	69.3
138.02975	0.4
142.03500	2.4
151.00839	0.3
151.04486	0.3
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
53.03935	1.9
54.81814	0.4
55.05505	5.8
55.95102	0.4
58.39602	0.5
60.84275	0.4
61.41612	0.4
65.03929	0.8
67.05498	1.1
67.29370	0.5
67.64069	0.5
69.07060	2.7
73.06843	0.4
79.05479	12.6
81.07043	2.0
91.05468	21.3
92.08744	0.6
92.09230	0.8
93.07028	48.3
95.04979	4.4
95.05495	0.5
105.04501	0.8
105.07019	9.6
107.08584	100.0
109.06505	5.7
117.01612	0.6
119.06056	2.2
119.08514	4.5
119.09246	0.5
120.09373	0.8
135.04457	0.5
135.08041	2.0
135.10655	1.0
135.11679	29.6
136.02176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01865	0.5
55.05500	7.7
65.03922	0.7
67.05500	1.1
69.07060	3.5
74.95974	0.5
77.03941	0.5
79.05481	16.1
81.07032	2.9
89.92780	0.5
91.05457	21.8
92.02605	0.9
92.08874	2.5
93.07022	53.6
94.07819	0.6
95.04946	8.4
105.04477	1.2
105.07018	9.5
107.04936	0.8
107.08578	100.0
108.08887	0.8
109.06493	5.2
119.06033	3.5
119.08573	3.6
120.09314	1.3
135.04405	11.4
135.08035	4.0
135.11679	25.5
136.02167	0.8
136.06165	0.7
143.08163	0.6
149.35065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03928	1.8
55.05495	9.9
67.05475	1.3
68.16577	0.9
69.07057	1.9
79.05472	16.8
81.07053	1.7
83.60709	1.0
91.05455	25.6
92.08675	2.2
92.09258	3.5
93.07014	45.7
95.04967	5.4
98.64503	1.2
105.07012	14.6
107.04910	1.0
107.08572	100.0
109.06522	4.8
119.06052	2.4
119.08556	5.3
120.09368	1.7
135.08014	4.9
135.10654	1.8
135.11667	44.6
136.02132	4.8
136.06168	1.5
152.60664	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06477	0.8
53.03940	1.5
54.55137	0.9
55.05510	9.9
59.97467	1.0
65.03922	1.3
67.05481	1.1
69.07051	2.4
69.52095	1.0
71.02978	1.3
79.05486	14.7
81.07011	1.5
81.78278	1.0
91.05473	30.4
93.07025	44.5
95.04953	4.5
100.47740	1.0
105.07032	13.8
107.04969	3.7
107.08583	100.0
109.06481	6.2
111.79580	1.0
117.07074	1.1
119.06033	1.5
119.08564	4.4
120.09309	1.4
133.10057	1.2
135.08060	2.5
135.11670	36.4
136.02126	4.5
136.06145	3.8
137.98045	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98305	14.6
54.46533	15.6
67.42994	16.7
71.02985	23.2
79.05489	43.5
91.05477	33.5
92.09028	42.9
93.07026	86.0
107.04886	23.7
107.08578	100.0
135.11673	37.2
154.27116	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
50.59961	0.9
50.86344	0.8
50.88371	0.9
53.03941	1.6
55.05488	0.9
56.96535	1.1
60.84524	1.0
63.01132	1.0
70.71524	1.0
79.05476	17.8
87.73125	1.0
89.03903	63.2
90.31321	1.0
91.05459	4.4
92.09004	6.4
93.07030	4.4
95.04939	5.3
98.97576	4.2
105.04504	1.0
105.06995	1.3
107.04948	20.0
107.08582	10.5
116.98594	2.3
117.03371	28.5
134.99699	1.6
135.04402	100.0
135.08054	2.0
135.11670	6.3
136.02145	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	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
52.85379	0.6
53.03941	6.2
54.14275	0.5
54.81446	0.8
55.05506	12.7
55.37601	0.7
57.03424	0.8
57.07061	0.8
65.03919	1.1
67.05480	3.1
69.07047	4.8
72.15469	0.7
79.05470	53.9
81.07015	3.3
91.05460	33.6
92.02605	0.8
92.09217	3.3
93.07018	100.0
95.04400	1.0
95.04951	14.9
97.17328	0.6
99.43455	0.7
105.04472	2.8
105.07008	13.0
105.41692	0.7
107.08572	94.9
108.08951	0.8
109.06484	6.2
117.06979	4.8
119.06048	1.7
119.08546	5.6
120.09322	1.4
122.13533	0.7
135.04369	7.9
135.08025	2.7
135.11662	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03942	5.5
54.81788	0.7
55.05504	12.0
57.07064	1.2
66.41695	0.8
67.05501	1.1
69.07049	3.5
77.03907	1.4
79.05471	56.0
81.03392	0.7
81.07028	4.0
85.97166	0.6
91.05457	39.6
91.45715	0.6
92.08756	1.0
92.09262	1.5
92.64213	0.8
93.07021	100.0
95.04939	16.2
101.87896	0.7
105.04488	3.8
105.07008	11.6
107.04908	1.1
107.08574	94.2
109.06476	5.1
111.53083	0.7
117.07010	3.3
119.08579	5.0
120.09333	1.1
130.00533	0.7
135.04390	10.7
135.08022	4.2
135.11667	41.1
136.02107	1.0
140.61099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03940	0.5
55.05501	0.6
57.35651	0.3
67.05482	0.3
79.05470	1.7
88.02174	0.3
90.61028	0.3
91.05463	8.6
92.25875	0.3
93.07031	2.6
95.04931	0.5
98.00727	0.4
103.05415	0.7
105.07012	27.1
107.08567	0.3
115.05406	3.1
117.07008	2.8
118.07790	4.7
122.13367	0.3
129.06970	0.3
131.08539	4.3
133.10107	100.0
134.10455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.39703	0.5
54.89350	0.6
55.05490	0.7
55.13116	0.6
79.05473	1.0
88.81756	0.6
91.05453	9.1
92.09178	4.7
93.07011	4.3
98.00777	0.7
105.07016	31.5
112.73557	0.7
115.05441	2.8
117.06988	2.9
118.07779	4.4
131.08568	3.9
133.10109	100.0
134.10503	0.8
134.99188	0.7
145.29791	0.7
150.58063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.72850	0.7
51.92693	0.7
53.22526	0.7
55.05497	4.6
57.45386	0.7
66.58408	0.7
79.05468	5.7
88.02185	2.1
89.00220	3.3
91.05466	25.9
92.08982	4.5
93.07024	6.8
95.04910	1.3
98.00739	1.5
99.00635	1.5
103.05424	4.0
105.07014	91.6
107.08562	0.9
115.05428	4.5
117.06988	6.5
117.95964	1.5
118.07774	5.5
124.43045	1.0
131.08559	14.7
133.10104	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	134.06
Annotation	o-Tolyl isocyanate
Peak:m/z	Relative Intensity
52.15946	0.3
54.28852	0.3
54.54372	0.3
61.42657	0.3
67.11119	0.3
79.05474	20.0
92.60725	0.4
106.06535	100.0
107.06878	0.3
134.05988	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	134.0601
Annotation	o-Tolyl isocyanate
Peak:m/z	Relative Intensity
56.96567	0.3
79.05476	20.6
92.08704	0.4
92.09259	0.4
95.04991	0.2
97.00979	0.2
98.97584	0.7
106.06539	100.0
107.06875	1.1
116.98618	1.2
122.52828	0.9
122.93917	0.2
134.05992	15.2
134.99614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.01986	0.5
52.02666	0.6
53.03941	1.1
55.05505	100.0
59.04990	1.1
60.97800	0.5
69.07060	6.6
69.19522	0.6
71.08588	0.6
79.05468	4.3
84.75255	0.6
88.02157	1.2
89.06760	0.7
91.05461	28.5
92.08817	2.3
92.11934	0.7
93.07023	3.7
97.10149	25.7
99.26100	0.6
103.05428	2.5
105.07012	75.3
115.05439	3.7
117.06964	3.0
118.07790	5.2
131.08542	8.1
133.06471	1.6
133.10107	96.2
134.10349	0.9
150.95837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.20220	0.7
55.05501	4.3
58.63605	0.8
60.64289	0.7
60.91521	0.7
74.10852	0.8
79.05463	3.5
88.02193	4.7
89.00231	1.4
89.16317	0.9
91.05461	17.6
92.08834	4.4
93.07011	4.2
98.00751	1.9
103.05397	1.1
105.07015	71.9
107.08591	0.9
110.10229	0.9
115.05442	2.2
117.06980	1.4
118.07761	1.5
119.14574	0.9
120.05856	0.9
131.08548	4.9
133.06464	4.5
133.10109	100.0
143.86259	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0495
Annotation	Succinic acid methyl ester
Peak:m/z	Relative Intensity
51.53903	2.9
53.03933	5.5
55.01647	3.5
55.01862	40.6
57.03431	43.5
59.04976	13.7
61.01143	3.2
61.02893	16.4
69.03403	29.5
70.06560	4.0
71.01333	28.2
71.04971	7.6
73.02899	100.0
74.02415	16.3
75.04427	3.1
83.01323	34.3
85.02898	17.0
86.09700	5.3
87.00796	4.0
87.02663	4.9
87.04433	43.0
87.05546	4.4
87.10042	6.4
88.02186	19.2
88.03963	4.2
90.73548	3.3
92.09034	7.5
97.02859	4.3
115.03891	3.9
118.03500	4.3
119.01880	17.8
127.73692	3.0
129.16077	3.4
133.03412	5.2
133.04947	57.0
137.02852	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.8
64.33075	0.4
66.09554	0.4
66.26524	0.4
75.73052	0.4
79.05473	2.2
83.37141	0.4
84.85035	0.4
88.83608	0.5
91.05460	8.6
92.08995	3.5
92.63598	0.5
93.07030	3.0
103.05444	0.6
104.64567	0.4
105.07013	27.5
115.05443	2.8
116.06322	0.4
117.07003	3.1
118.07776	4.0
125.55302	0.4
131.08553	5.1
133.10109	100.0
134.10416	0.7
148.62308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.94528	0.4
53.03934	2.0
62.82148	0.4
69.07072	0.6
72.93770	2.0
76.51551	0.5
86.09706	6.8
88.00478	1.8
88.02317	0.5
92.09047	1.1
95.04948	3.6
95.14399	0.4
97.00979	2.2
98.00752	1.1
99.79387	0.4
104.04980	36.1
104.71516	0.4
105.03370	0.7
105.04507	0.5
105.07027	0.5
115.96441	0.7
132.04436	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	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.19194	0.2
56.24748	0.1
69.07056	1.9
79.15169	0.1
85.92323	0.1
86.09689	100.0
87.10032	0.2
92.08804	0.2
132.10153	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	127.039
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
53.00303	1.0
53.03724	1.3
53.03942	25.8
55.01867	13.2
56.23621	1.0
57.03421	2.1
57.40571	1.0
65.03896	1.2
69.03413	100.0
71.04956	6.8
81.03395	65.9
81.04510	23.8
81.07041	2.3
83.01316	2.0
84.38474	1.2
85.02883	2.4
85.05109	1.3
85.06519	2.1
86.49600	1.1
92.59571	1.1
95.01304	2.0
97.02872	17.7
98.03682	1.5
99.04417	10.7
100.58408	1.3
100.74859	1.3
104.05548	1.2
109.02861	75.6
127.03905	39.9
127.04951	5.3
127.07240	4.7
127.08594	1.7
128.44897	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1118
Annotation	Sulcatone
Peak:m/z	Relative Intensity
53.00290	2.4
53.03932	9.5
55.01856	10.5
55.05500	13.8
56.96548	9.1
57.03430	2.0
57.07053	4.2
58.06603	1.5
67.05493	19.0
67.93555	38.1
68.95261	2.5
69.03407	30.8
69.07038	2.1
69.82586	1.9
71.04975	77.8
79.05482	17.9
79.32910	1.4
81.03390	27.1
81.04524	2.7
81.06596	3.4
81.07033	58.8
82.06550	2.2
83.04961	2.3
84.01547	13.3
84.08121	10.2
85.06528	13.4
85.94592	8.2
85.99072	1.5
92.08896	3.8
93.02043	17.7
97.02849	7.2
99.04418	9.2
99.08060	6.8
103.95642	7.0
109.02856	33.4
109.06495	23.9
109.10133	11.3
117.93513	2.6
118.94307	4.0
121.96658	1.8
127.02966	4.1
127.03889	100.0
127.04893	4.8
127.07526	16.5
127.08440	2.0
127.11184	45.9
128.07019	2.4
140.95123	3.7
144.98251	3.5
146.97411	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0651
Annotation	Quinoline
Peak:m/z	Relative Intensity
56.05011	0.5
56.05820	0.2
56.96562	0.2
57.07058	1.1
59.89174	0.2
67.05473	0.2
68.95261	1.2
69.03410	3.2
69.07040	0.3
70.06561	0.2
71.04966	0.4
73.67549	0.2
74.02415	0.5
74.09685	0.9
84.04488	8.4
84.08131	3.4
85.06531	0.2
86.55626	0.2
87.00439	2.1
88.07608	0.3
95.04951	0.4
96.07769	0.2
102.09191	0.3
103.05446	4.2
112.07587	11.8
113.96336	0.3
116.48119	0.3
128.04936	0.4
128.96857	0.2
130.06502	100.0
130.15884	4.2
131.06870	0.3
131.97449	0.3
133.27400	0.2
133.80774	0.2
146.05977	0.3
147.46811	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0704
Annotation	5-Oxohexanoic acid
Peak:m/z	Relative Intensity
53.00296	2.6
55.01858	2.3
55.05502	4.4
56.96554	9.3
57.03419	8.6
57.07068	10.1
60.04483	1.5
61.02925	1.3
67.05493	22.0
68.95270	2.4
69.03409	8.9
69.07055	100.0
69.42674	1.0
70.03747	1.5
71.04975	30.4
72.08134	4.3
72.93754	1.5
74.02799	0.9
76.51550	2.6
83.08602	2.4
84.08130	2.5
85.02898	1.7
85.04811	2.0
85.06527	57.7
85.08456	2.5
85.10217	0.8
85.52072	4.0
86.06050	1.6
86.09686	6.8
87.04418	1.1
88.00471	9.1
88.02337	4.9
95.04948	11.4
95.08585	5.5
97.00984	17.7
97.02859	1.7
98.97552	2.2
99.51232	4.8
103.05447	49.0
106.01481	1.2
113.05983	25.5
113.07220	1.7
113.07931	21.7
113.09617	4.1
113.96365	1.3
115.96411	2.6
116.98540	1.7
118.03485	1.4
131.04906	1.6
131.06120	1.7
131.06985	10.7
131.09009	9.3
131.11769	1.9
131.97411	1.9
133.97447	2.3
138.98044	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.039
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
52.27761	1.9
53.03943	33.2
55.01867	22.6
55.05495	11.2
57.03419	10.1
59.04980	2.3
59.45446	1.9
62.17699	2.0
64.33564	2.4
67.05489	37.6
68.18763	2.1
69.03413	92.1
69.07043	2.2
71.01374	2.1
71.04979	19.5
81.03397	100.0
81.07030	13.5
83.01334	5.0
85.02889	4.4
85.06499	3.5
92.08839	9.2
97.02866	79.1
99.04427	12.3
106.27525	2.5
109.02868	59.9
109.10124	23.0
127.03880	43.0
139.42868	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	127.0392
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
52.96790	1.1
53.00300	3.4
53.03944	29.5
54.81166	1.6
55.01872	13.8
57.03428	1.8
69.03421	98.7
71.04980	6.2
81.03407	69.7
81.04534	24.2
81.07044	1.6
82.01429	2.9
83.01353	3.1
84.08148	5.9
85.02904	1.5
85.05138	3.1
85.06551	2.4
85.51898	2.5
86.01949	1.5
90.74890	1.4
91.75226	1.2
92.09132	2.3
94.52422	38.3
95.01319	1.6
95.02478	7.8
97.02879	17.7
99.04423	16.5
100.02457	13.9
101.02574	1.5
103.52938	9.7
104.03062	3.0
105.42282	1.4
106.52370	1.3
109.02868	100.0
113.02447	1.7
118.03510	9.2
119.03617	1.5
121.03464	1.8
127.03923	36.3
127.05011	6.2
127.07289	9.9
127.08696	1.7
144.05045	2.7
147.01430	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71370	0.6
52.65721	0.5
53.03923	1.3
55.05490	4.1
56.96556	41.6
56.99125	0.6
57.07054	4.0
58.50528	1.2
67.05487	14.8
67.51050	9.2
69.07030	0.9
70.01299	2.5
75.59575	0.6
76.51566	11.3
79.01833	30.2
79.05470	30.5
80.05002	2.6
80.10255	0.6
81.03387	0.8
81.07036	100.0
85.52076	1.2
87.72881	0.7
88.02355	56.4
88.52538	1.6
93.07018	1.0
95.04952	8.8
95.08585	13.5
97.02853	5.8
99.53114	1.2
100.02450	3.6
102.21003	0.7
105.03355	3.1
106.07300	1.5
108.07632	3.7
112.51345	0.6
118.03475	1.2
121.10144	0.7
123.04404	5.3
123.05524	12.7
123.08051	12.6
123.10001	7.8
123.11677	32.2
126.82337	0.7
139.00594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45449	0.3
65.22912	0.4
77.13681	0.3
82.99840	0.5
83.10469	0.4
92.08722	2.0
92.09330	0.9
97.34671	0.4
100.02473	2.0
100.22860	0.5
101.00864	19.5
101.02536	3.7
118.03516	0.9
119.01904	100.0
119.03620	4.0
120.02057	0.6
121.65691	0.5
137.02937	41.8
142.03488	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76504	2.1
54.33871	1.7
57.03420	12.6
58.99858	3.3
61.02921	3.5
65.03913	2.6
69.03415	12.1
72.00633	2.0
78.52911	3.4
80.52679	11.1
81.01896	2.5
82.01425	2.7
83.04994	2.9
86.52691	3.9
87.53473	2.4
88.02648	2.4
90.02424	2.3
91.53708	3.2
92.09056	5.6
92.52666	4.0
94.02672	11.8
95.53182	3.3
97.03130	3.4
97.39307	2.2
100.02462	14.9
101.00848	22.9
101.02563	10.1
103.00652	3.0
103.02533	2.6
103.03179	15.4
103.53226	2.3
106.03622	2.3
112.03693	14.0
115.02396	3.0
118.03483	10.4
119.01907	100.0
119.03619	4.5
120.01977	4.3
121.01650	5.2
121.04211	4.6
130.04764	2.9
131.01869	21.5
133.03448	10.3
134.22749	2.4
136.24500	2.2
137.02959	32.7
142.03458	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	123.1169
Annotation	Santene
Peak:m/z	Relative Intensity
53.03932	2.0
54.81630	0.3
55.05505	3.9
56.96280	0.8
56.96558	23.2
57.07072	2.6
58.50524	0.8
59.45640	0.3
62.32803	0.3
65.64346	0.4
67.05490	12.1
67.51044	5.4
69.07047	2.5
70.01301	0.4
72.76509	0.3
76.51572	6.8
79.01832	16.8
79.05473	23.4
80.04987	1.9
80.05817	0.3
81.07037	100.0
82.07382	0.4
85.81623	0.4
88.02354	31.2
88.52529	1.8
90.52596	0.4
92.63722	0.4
93.07035	1.4
94.00292	0.4
95.04952	3.7
95.08581	9.8
97.02869	4.3
97.53120	0.3
99.53138	0.4
100.02448	1.6
105.03366	2.1
105.04519	0.4
106.07330	1.4
108.07651	1.8
118.03478	1.7
121.10078	0.5
123.04410	2.0
123.05515	6.7
123.08050	4.1
123.09205	0.5
123.10007	6.7
123.11679	29.2
124.03902	0.5
124.11974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.26827	0.8
52.26048	0.6
53.03937	0.8
54.89607	0.8
55.05497	5.6
56.96562	78.6
57.07063	0.8
58.50531	4.8
67.05140	1.4
67.05494	32.3
67.51051	19.8
70.01306	1.9
73.15742	0.7
76.51571	17.4
79.01840	44.1
79.05476	15.4
79.52006	2.1
80.03494	1.3
80.05006	3.4
81.03400	3.4
81.07043	18.4
85.52078	3.0
88.02362	100.0
88.52541	6.9
90.52613	3.4
93.07041	7.1
95.04947	22.5
95.08587	32.9
97.02866	12.9
99.53128	1.8
100.02474	3.6
105.03377	3.2
106.07333	1.1
108.05733	1.0
108.07686	1.3
113.93919	0.8
118.03529	3.7
123.04425	5.5
123.05541	14.4
123.08052	95.6
123.09977	4.8
123.11631	5.8
124.08413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Santene
Peak:m/z	Relative Intensity
51.73109	0.7
51.77153	0.6
54.81772	1.0
55.05497	4.4
55.68824	0.7
56.03557	0.6
56.96560	11.8
57.07071	6.6
57.07284	0.7
60.84632	0.6
64.95338	0.7
67.05486	11.6
67.42150	0.6
67.45550	0.7
69.07045	1.4
76.51576	1.7
79.01819	8.0
79.05468	19.5
81.07036	100.0
88.02352	12.1
92.08995	1.0
93.07033	1.4
95.04938	3.0
95.08580	17.5
97.02855	1.6
105.03349	1.7
121.10136	1.7
123.04446	1.2
123.05531	5.9
123.08057	3.7
123.11679	62.0
124.12044	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	3,5-DIMETHYLPHENOL
Peak:m/z	Relative Intensity
53.03933	2.7
55.05515	0.7
56.96560	8.7
67.05487	11.5
67.51052	1.7
74.61084	0.6
75.41016	0.7
76.51588	1.4
77.89613	0.6
79.01845	3.2
79.05477	56.3
81.07040	7.9
85.81316	0.8
88.02354	7.8
93.07017	4.7
95.04955	7.0
95.08587	28.9
105.03394	8.3
105.04494	0.9
105.07015	8.6
107.04920	4.4
108.05730	33.5
121.06486	7.2
123.04432	9.7
123.05537	4.0
123.08050	100.0
123.09947	4.3
123.11700	1.5
140.60016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26827	0.8
52.26048	0.6
53.03937	0.8
54.89607	0.8
55.05497	5.6
56.96562	78.6
57.07063	0.8
58.50531	4.8
67.05140	1.4
67.05494	32.3
67.51051	19.8
70.01306	1.9
73.15742	0.7
76.51571	17.4
79.01840	44.1
79.05476	15.4
79.52006	2.1
80.03494	1.3
80.05006	3.4
81.03400	3.4
81.07043	18.4
85.52078	3.0
88.02362	100.0
88.52541	6.9
90.52613	3.4
93.07041	7.1
95.04947	22.5
95.08587	32.9
97.02866	12.9
99.53128	1.8
100.02474	3.6
105.03377	3.2
106.07333	1.1
108.05733	1.0
108.07686	1.3
113.93919	0.8
118.03529	3.7
123.04425	5.5
123.05541	14.4
123.08052	95.6
123.09977	4.8
123.11631	5.8
124.08413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.03719	0.3
53.03943	4.3
55.05490	0.3
56.05225	0.2
56.96558	6.8
57.07066	0.3
64.72090	0.2
67.05490	1.9
67.51055	2.0
76.51569	1.8
77.03918	0.8
79.01832	5.4
79.05477	100.0
79.52025	0.3
80.05003	0.7
80.05807	0.3
81.03408	0.3
81.07038	7.6
85.52119	0.3
86.02995	0.2
88.02362	11.3
88.52547	0.2
92.09169	0.2
93.07050	0.3
95.04950	13.0
95.08584	2.3
96.04470	0.2
97.02892	1.2
97.42442	0.2
99.53170	0.2
100.02495	0.3
105.03378	20.0
105.04438	3.2
105.07016	0.4
106.07355	0.5
107.07341	0.2
108.05728	1.0
108.07696	0.4
122.09649	0.4
123.04427	15.7
123.05531	3.3
123.08041	5.1
123.09987	2.5
123.11683	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	123.0442
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02367	0.2
51.36974	0.2
53.03935	4.6
55.55739	0.3
56.96556	9.7
57.07092	0.2
58.38099	0.2
58.50525	0.3
67.05473	1.2
67.51057	2.1
70.01283	0.4
73.70772	0.2
76.51573	2.9
77.03918	1.3
79.01835	6.8
79.05474	100.0
79.52021	0.3
80.04994	0.5
80.05816	0.3
81.03390	0.3
81.07038	4.2
85.52100	0.3
88.02357	10.3
88.52529	1.5
89.02560	0.3
92.08980	1.5
94.86743	0.2
95.04948	10.9
95.08588	1.3
97.02872	2.2
103.94984	0.3
105.03374	22.3
105.04428	2.1
106.07352	0.7
107.07339	0.4
108.05681	0.4
108.07671	1.4
110.33288	0.3
118.03551	0.4
120.25031	0.3
122.09662	0.6
123.04423	16.3
123.05499	3.1
123.08056	1.5
123.09994	3.6
123.11699	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	123.0554
Annotation	Niacinamide
Peak:m/z	Relative Intensity
50.29743	0.1
50.53980	0.2
53.03936	0.3
56.96552	2.1
67.05488	0.2
67.51073	0.2
70.50681	0.2
72.24181	0.2
75.81716	0.2
76.51572	0.2
78.03426	0.8
79.01829	0.7
80.04998	20.4
85.58140	0.2
88.02349	1.9
91.00500	0.2
92.09174	0.4
95.04935	0.3
95.06036	0.2
96.04469	5.8
100.01017	0.8
100.02449	0.3
101.79991	0.2
106.02899	1.9
112.04613	0.2
118.03472	0.3
119.01945	0.2
123.05527	100.0
124.03951	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53341	0.4
52.67646	0.5
54.49253	0.4
57.41058	0.4
91.05456	4.9
93.07012	7.9
95.04936	1.2
103.05444	36.6
110.79500	0.6
118.06499	0.8
120.08073	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	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.22131	0.8
53.03926	1.9
55.05499	7.5
76.55794	0.9
79.05478	28.5
80.06245	1.1
81.07034	4.2
86.43252	0.9
88.42168	0.8
90.08740	0.8
91.05459	26.2
93.07023	100.0
95.04942	10.0
103.05453	7.8
105.04493	2.2
105.07014	36.1
106.07817	1.9
119.08556	5.9
121.02876	1.9
121.06484	4.4
121.10120	69.1
122.09599	3.9
122.10471	1.0
123.08040	6.0
133.07603	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	123.0441
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02354	0.6
53.03938	3.9
55.07829	0.3
56.96555	5.4
59.02442	0.3
63.15149	0.3
67.05478	0.5
67.51054	1.2
76.51565	1.2
77.03912	1.3
79.01836	3.6
79.05473	100.0
80.04992	0.4
81.07045	3.2
88.02354	7.8
92.08928	2.0
92.55014	0.3
95.04939	10.8
95.08585	0.6
95.16038	0.4
97.02852	0.6
105.03377	20.3
105.04436	3.2
114.33586	0.3
114.37209	0.3
123.04408	14.9
123.05509	2.3
123.08037	1.0
123.10032	0.5
123.11677	1.3
144.50757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.1068
Annotation	(4S)-2-METHYL-2,4-PENTANEDIOL
Peak:m/z	Relative Intensity
53.00306	0.3
53.03938	1.3
55.05505	100.0
59.04991	0.6
60.04511	1.2
65.03928	0.4
68.95273	0.5
73.08467	0.3
83.08604	31.3
90.65273	0.2
91.05463	13.0
92.05013	0.5
95.39450	0.2
95.63121	0.2
117.07006	0.4
119.01913	0.2
119.04931	2.5
119.06035	2.6
119.06779	0.2
119.08548	4.4
120.05617	1.0
125.31358	0.3
137.02898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1194.8388
Annotation	Unknow
Peak:m/z	Relative Intensity
83.08601	4.3
91.05465	2.9
92.09241	1.5
93.07028	11.5
93.34017	0.3
95.04920	0.4
95.08584	30.4
97.10145	3.3
101.15624	0.3
103.39404	0.3
105.07012	6.5
107.08577	18.2
109.10144	20.2
111.08070	0.4
111.11708	1.7
115.05364	0.3
117.06999	0.6
117.80892	0.3
119.08558	12.0
121.10117	18.8
123.11689	10.8
131.05956	0.3
131.08569	3.8
133.10103	12.3
135.11670	16.7
137.13237	8.2
139.07591	0.3
143.08598	0.4
145.10091	6.3
147.11661	7.8
149.13243	20.2
151.14789	0.5
153.09096	1.6
157.10101	1.1
157.88651	0.3
159.11629	4.9
161.13240	5.8
163.07526	0.6
163.14787	4.8
167.10667	0.5
171.11665	1.3
173.13242	3.5
175.14769	4.7
177.09093	2.2
177.16318	4.1
179.10669	0.7
179.17831	1.2
185.13304	0.4
187.14786	2.6
189.16354	14.1
191.10643	0.3
191.17912	22.4
199.14786	0.6
201.16354	21.6
203.17934	19.5
205.19490	25.8
207.17407	0.4
213.16373	1.8
215.17923	12.2
217.15770	0.4
217.19452	3.9
219.17384	0.4
227.17934	1.1
229.15878	1.2
229.19554	1.2
231.21136	1.8
235.16852	2.3
241.19466	1.9
243.21120	3.2
245.22708	2.2
247.16872	13.9
249.18446	1.5
255.20985	2.4
257.22656	1.3
261.18466	9.0
269.22519	1.3
275.20084	0.4
287.19843	0.4
289.21671	2.0
297.25839	1.5
301.21588	1.7
315.23282	1.1
393.35104	13.1
397.21851	0.3
402.17825	0.3
411.36069	1.0
439.35645	100.0
440.36017	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	119.0492
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.49035	0.8
60.04518	1.9
65.03921	7.5
69.14120	0.8
72.73277	0.7
73.08432	1.1
80.22503	0.8
91.05461	100.0
95.04944	1.1
99.04257	1.1
103.05462	4.3
115.05452	1.5
117.06994	11.0
119.04919	32.6
119.06037	4.6
119.08561	68.0
120.05585	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.43304	0.6
55.46912	0.6
59.04999	0.8
65.03929	3.8
70.85843	0.7
79.05459	3.3
81.08752	0.7
91.05463	66.8
92.08750	1.1
92.09233	1.3
93.07056	2.5
95.04948	0.9
103.05450	4.5
104.06242	3.9
115.05433	1.4
117.07009	15.7
119.04922	13.3
119.08561	100.0
120.08910	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	L-Valine
Peak:m/z	Relative Intensity
50.95612	0.1
52.74614	0.1
53.03938	0.2
54.35305	0.1
55.05507	13.9
56.05023	0.2
57.05802	0.9
58.06590	0.7
59.04997	0.2
59.07375	0.8
61.03868	0.1
64.92657	0.1
70.06573	0.1
72.08140	100.0
73.08488	0.1
76.07629	0.1
80.77664	0.1
85.80254	0.1
92.08923	0.4
118.03488	0.2
118.08631	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	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63554	0.5
58.99853	1.0
59.99910	0.7
74.49526	0.5
83.01507	0.9
87.53472	1.1
92.08954	0.9
96.87975	0.6
97.74325	0.6
100.02470	1.1
101.00854	18.5
101.02528	8.6
103.02390	0.7
106.84994	0.6
114.98949	0.6
118.03544	1.0
119.01894	100.0
119.03568	6.9
120.01935	0.6
137.02930	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	116.0708
Annotation	Proline
Peak:m/z	Relative Intensity
53.89092	0.1
56.05021	0.1
56.96548	0.5
57.03439	0.1
60.05627	0.1
62.36195	0.1
68.05003	0.2
70.06575	100.0
71.06912	0.1
72.02843	0.3
72.05628	0.1
74.06046	0.1
81.03343	0.5
82.01434	0.1
84.04501	0.2
85.51913	0.2
92.09317	0.1
94.52403	1.3
95.02481	0.5
95.53188	0.1
98.07150	1.7
98.09672	0.2
98.94494	0.1
100.01886	0.1
100.02443	1.0
103.52951	0.2
113.02377	0.1
116.07070	23.6
116.08171	2.1
116.10743	0.2
118.03464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
51.02358	2.3
52.10280	0.9
53.03717	1.6
53.03936	25.5
55.05487	2.4
56.71151	1.2
57.44224	1.0
61.04210	0.9
67.22465	1.0
71.96403	1.0
71.99619	1.2
72.08131	14.2
77.03901	5.7
81.03418	1.5
88.88085	1.1
91.05450	2.0
92.08809	8.5
95.04945	59.1
95.35861	1.2
105.04472	13.2
118.06515	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02371	1.4
53.03941	23.3
55.01857	0.9
61.78975	0.7
62.44031	0.8
70.62401	0.9
72.08132	3.8
77.03912	5.1
81.03407	1.9
92.08893	5.2
95.04947	58.5
105.04486	14.7
118.06516	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	115.0756
Annotation	cis-3-Hexenoic acid
Peak:m/z	Relative Intensity
51.86257	0.3
53.00295	1.6
53.03938	1.1
55.01870	6.1
55.05503	6.4
56.90440	0.3
56.96558	10.4
57.03427	13.5
59.04972	1.1
60.04543	0.4
67.05493	5.1
69.03416	4.7
69.07054	100.0
70.06581	3.4
71.02972	6.5
71.04977	0.8
71.53027	0.6
72.02846	1.7
73.02890	0.3
73.06535	21.1
74.93811	1.4
78.37695	0.3
79.05473	14.5
80.03481	5.1
80.53513	0.5
81.03362	0.6
82.53755	0.8
84.01523	0.7
85.02860	0.4
87.00763	0.3
87.04470	1.3
87.09217	0.7
92.94862	0.5
95.02543	1.9
95.04949	1.3
97.02850	1.3
97.06507	62.1
100.02426	0.4
104.03085	10.5
104.90833	0.5
113.03614	3.9
115.03900	2.0
115.07549	11.8
115.08433	0.4
115.08743	0.5
115.09396	2.2
115.12309	1.2
115.53878	0.5
130.97531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0964
Annotation	4-Hepten-2-one
Peak:m/z	Relative Intensity
53.00288	0.4
53.03930	0.6
55.01839	0.3
55.05505	13.6
57.03421	1.6
57.07059	1.7
60.95833	1.3
65.03926	2.4
67.05491	58.5
69.03416	0.3
69.07053	33.0
70.02955	0.5
70.06589	0.5
71.04962	2.4
71.94085	1.2
72.93784	3.7
79.05433	0.4
80.06275	0.5
83.04955	1.8
85.06530	1.3
85.10158	0.3
90.02003	1.9
90.94801	0.5
91.05451	0.6
92.08870	1.4
93.07014	9.2
95.01270	0.6
95.04935	1.4
95.08583	100.0
96.00855	0.6
97.24474	0.3
98.00758	0.6
98.50735	0.4
99.00629	1.3
113.02335	1.7
113.03448	2.9
113.05990	3.3
113.07133	0.5
113.09624	8.2
113.10796	0.5
115.66451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.6047
Annotation	Unknow
Peak:m/z	Relative Intensity
81.93846	0.1
87.63676	0.1
92.09150	0.8
94.59618	0.1
100.46279	0.1
124.53975	0.1
129.02557	0.1
270.36282	0.1
347.44910	0.1
396.12054	0.5
397.12732	0.9
398.13373	0.4
399.14456	0.4
408.12045	0.1
409.12906	0.2
410.13605	1.5
411.14444	4.0
412.15179	2.9
413.15915	1.7
423.15009	1.3
424.11234	1.0
424.15305	1.4
425.16113	8.5
426.16861	6.3
427.17551	1.6
428.18628	1.3
437.11954	0.6
437.16275	0.7
438.12964	1.8
438.17361	1.0
439.13361	10.9
440.18887	5.1
441.19174	29.0
442.19702	1.4
443.17316	0.1
444.18222	0.2
451.13434	0.5
451.18027	0.6
452.14099	2.8
453.15152	13.4
454.15790	3.6
456.13217	0.1
456.18576	0.2
457.15128	0.5
458.15402	0.4
459.20041	0.2
463.13815	0.8
464.14026	0.3
465.15442	0.7
466.12344	0.4
466.17398	0.6
467.17099	27.4
468.17755	10.9
469.18707	13.2
470.19730	0.7
471.16251	0.9
472.17444	0.4
477.15445	0.4
478.16129	0.5
479.17050	0.6
480.14221	0.6
480.18842	0.3
481.14700	18.4
482.15036	3.3
483.16278	0.4
484.12897	0.2
485.18402	1.1
486.18710	0.5
487.19501	0.5
493.14996	0.3
494.16080	0.6
495.10269	0.1
495.16284	11.5
496.17001	14.5
497.17960	3.3
498.18454	0.6
499.15814	1.0
499.19485	0.5
500.20612	0.1
508.18109	0.2
509.18106	2.8
510.19110	0.2
512.21033	1.1
513.16772	0.8
514.22675	2.3
515.19275	0.1
522.18042	0.2
523.20020	1.2
524.20801	0.4
525.16803	0.3
526.18494	0.2
527.22369	2.0
528.18604	0.1
537.18286	0.4
539.19415	0.5
540.19696	0.7
541.20758	0.2
542.21234	1.1
545.23730	0.2
551.19629	0.2
554.21216	0.1
555.22278	25.6
556.22571	1.5
567.19250	0.1
568.19067	0.6
569.20044	0.1
573.23090	0.4
582.21051	0.2
583.21765	96.3
584.12915	0.2
584.21991	5.1
585.20752	0.1
586.20355	0.9
587.24982	1.7
600.21991	0.2
610.20496	0.2
611.21112	1.3
614.23657	0.9
615.24329	3.9
625.21722	0.1
629.22400	0.1
642.23083	8.9
643.23804	100.0
644.14575	0.2
644.24011	4.4
740.99042	0.1
818.03680	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	1124.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
77.80249	1.8
79.05476	43.4
79.10305	1.7
81.03396	1.8
81.07038	43.9
83.08601	12.1
85.02877	6.5
87.04466	3.1
91.05463	38.2
92.09029	2.4
93.07016	46.9
95.04952	12.8
95.08588	31.6
97.02870	8.3
97.10165	2.4
99.00803	3.3
105.07005	22.7
107.04935	2.4
107.08590	25.0
109.02885	7.3
109.10116	13.8
115.03906	22.1
117.07004	4.6
119.08576	16.7
121.10120	15.5
123.11720	2.8
125.02328	3.0
127.03874	2.8
130.12788	1.9
131.08565	11.1
131.45807	2.2
133.04965	11.8
133.10104	30.7
135.11700	9.9
143.08551	3.5
145.10138	8.8
145.60818	1.9
147.11702	3.6
149.13268	2.8
151.11194	8.6
159.11673	4.1
161.09560	19.5
161.13156	3.1
163.11217	2.9
171.08058	3.1
173.13222	4.4
179.10657	4.1
189.09064	10.7
199.07423	2.4
207.10168	2.9
217.08696	2.2
225.11243	2.4
243.20937	3.0
261.22202	11.6
289.34735	2.3
297.13385	2.8
335.25781	59.9
393.26178	2.3
395.13107	6.8
487.17996	43.1
505.19125	10.9
505.28232	2.0
514.37872	2.1
530.36108	1.9
729.38232	11.1
747.26526	3.4
747.39288	100.0
765.40076	20.3
1144.24731	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	113.06
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.00300	0.6
55.01850	1.1
55.05510	4.7
56.38272	0.5
56.96560	0.5
57.03425	100.0
57.07057	4.1
58.56628	0.5
60.95834	3.7
62.00863	0.6
64.76662	0.6
65.03921	3.4
67.01841	0.6
67.05489	50.0
67.23806	0.6
68.27953	0.6
69.03413	2.5
69.07054	0.7
70.02939	2.7
71.04970	7.2
71.94074	3.9
72.93758	4.8
78.51196	1.1
81.01473	0.9
82.36909	0.7
83.04958	4.0
85.06525	45.2
88.72347	0.6
89.50326	0.7
89.95124	0.6
90.00095	1.2
90.02011	3.2
90.94794	1.1
91.45090	0.7
94.71254	0.5
95.01295	1.0
95.01894	0.7
95.04943	36.0
95.08575	1.1
96.00821	2.7
98.50861	0.8
99.00629	5.4
101.01156	0.7
113.02360	7.1
113.03465	8.1
113.05988	33.1
113.07106	1.0
113.10751	2.7
113.11559	0.6
114.09128	1.0
119.95712	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1090.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03883	0.8
77.50819	0.1
79.05472	4.2
81.03396	12.9
81.93157	0.1
82.03725	0.1
83.04943	0.1
85.02886	7.8
91.05459	4.6
91.05916	0.1
91.06055	0.1
92.09055	0.4
95.04945	6.2
97.02865	9.0
99.04421	2.2
99.05020	0.1
102.29144	0.1
105.03371	100.0
106.03696	0.9
108.04461	0.5
109.02860	10.7
109.10149	0.1
119.04911	0.1
123.04398	10.7
127.03888	7.8
145.04947	1.6
147.04414	0.3
163.03766	0.1
165.05505	0.2
167.07043	0.1
175.76735	0.1
175.93855	0.1
188.73898	0.1
201.05370	0.1
203.10680	0.1
207.06601	0.1
231.06508	2.1
249.07518	32.8
250.07874	0.6
267.08572	36.6
268.08859	0.5
285.09543	0.2
357.13162	0.1
375.18182	0.1
429.13721	1.4
554.21997	2.0
620.51276	0.1
900.10962	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	1094.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03936	1.3
78.04698	3.7
79.05470	6.1
81.03400	10.8
81.07057	1.1
82.04202	1.2
85.02898	6.8
89.03915	0.9
91.05460	15.4
93.03370	1.3
93.07039	1.2
94.04144	2.4
95.04952	14.4
97.02873	3.6
97.06508	1.4
99.04438	1.1
103.05444	17.4
105.03374	53.5
105.04521	1.5
105.07008	5.1
106.04133	3.2
107.04939	9.4
109.02861	5.2
109.06518	3.6
110.03646	3.4
111.04441	2.9
115.05424	8.8
117.07002	10.6
118.04148	3.1
119.04924	7.8
119.08578	1.1
121.06498	4.8
122.03627	6.3
123.04412	13.6
124.05212	3.9
125.05993	2.8
127.03887	0.9
127.05434	0.7
128.06207	0.7
129.06984	2.5
130.04137	1.0
131.04910	25.1
131.08572	0.8
132.05656	1.4
133.02820	11.2
133.06471	5.8
134.03648	1.2
135.04405	3.3
135.07982	0.7
136.05191	1.2
137.05957	94.1
138.03133	1.1
139.07535	0.9
140.04678	0.8
141.06975	1.1
142.02628	0.7
143.04895	4.8
144.05730	1.3
145.06467	19.0
146.03638	0.8
147.04369	8.0
147.08038	3.1
148.05196	5.8
149.05963	7.4
151.03880	16.9
151.04950	1.2
151.07518	8.2
152.04665	2.5
153.05434	4.2
155.05975	4.4
156.05698	0.8
157.06496	1.1
159.04431	0.7
159.08017	1.6
160.05205	4.3
161.05933	9.5
163.03920	2.5
163.07515	16.7
165.05449	9.7
165.06770	1.1
166.48129	0.7
167.06999	100.0
168.07364	1.0
169.06465	1.2
171.06491	4.3
173.05952	25.2
174.06718	1.2
175.07521	12.5
176.04628	2.5
177.05441	7.0
177.09088	0.9
179.07030	8.4
181.04919	73.2
187.07495	5.8
188.04671	0.7
188.08304	1.1
189.05421	1.5
189.09068	1.5
190.06218	4.2
191.06996	31.0
191.08618	1.1
193.08539	1.4
195.06522	5.0
195.08015	1.6
197.06010	3.3
197.08109	7.3
201.05432	1.4
203.06985	12.0
205.08540	9.5
207.06429	7.0
207.10106	0.9
209.08058	3.6
210.06737	0.8
211.07545	1.0
215.07039	1.2
217.08516	5.8
219.06421	0.9
219.10078	1.1
221.07918	1.2
223.07545	1.5
225.05637	0.8
225.07573	2.6
227.07153	0.8
228.07768	0.8
229.08592	3.7
233.08029	9.1
234.06599	0.8
235.07458	0.9
235.09572	8.8
237.09155	0.9
240.07532	0.7
241.08510	2.6
245.07982	0.8
245.48122	0.7
247.09641	2.9
249.07617	3.5
255.10271	1.5
257.08026	3.4
259.09659	0.8
263.06686	0.9
263.09149	5.2
265.08569	2.9
265.10953	1.2
266.09262	0.7
267.06396	0.8
267.09735	0.7
271.09653	0.9
277.08484	1.6
279.06232	0.8
279.09866	1.2
283.09625	0.8
287.09384	0.7
291.09866	1.1
293.08023	2.8
295.09622	1.2
297.11050	1.3
307.09369	1.1
309.11203	1.2
313.10834	0.8
323.09048	1.1
325.10583	3.1
327.12259	1.3
329.10162	1.2
329.13821	0.7
337.10815	1.0
339.12219	1.6
341.13712	0.9
355.11664	3.4
357.13248	12.9
369.13458	1.0
371.14761	1.1
379.11722	0.7
381.12921	0.7
385.12717	11.2
387.14294	37.5
397.12668	2.7
399.14066	1.0
413.11676	0.8
415.13495	1.4
416.14438	2.6
417.15341	25.0
438.50891	0.7
535.19263	0.8
565.20538	38.4
566.21118	0.9
577.20416	6.8
593.19836	1.4
595.21490	3.7
613.22656	2.7
623.21497	1.0
831.27600	3.2
861.28851	1.0
879.30469	41.8
880.30176	0.9
1111.35168	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
75.34731	0.4
75.45873	0.4
81.07051	0.5
92.09087	1.5
118.61621	0.4
176.37923	0.5
213.26254	0.5
410.13913	0.7
411.14798	3.2
412.15619	2.3
413.16098	0.7
424.11267	0.6
425.16379	6.8
426.16779	3.2
428.18472	0.6
432.43182	0.4
438.12485	0.5
438.17776	0.5
439.13141	6.1
439.18881	0.9
440.19177	4.1
441.19229	22.6
442.20007	0.6
452.14337	0.5
453.15240	8.9
454.16229	2.0
456.18048	0.6
457.15259	0.5
465.15103	0.7
467.17230	21.5
468.17923	7.9
469.18774	10.4
471.16135	0.5
481.14783	14.1
482.15790	2.1
484.21268	0.6
495.16202	5.3
496.17184	11.2
497.17892	2.5
498.18698	0.5
499.16422	0.6
500.20551	0.7
509.18787	0.6
512.20380	3.0
513.21680	4.0
523.19800	1.0
528.19891	0.5
541.20813	14.9
542.21338	0.9
568.19122	0.8
569.20282	100.0
570.20111	4.1
597.19684	18.4
599.92688	0.6
601.23102	2.1
615.20087	0.5
628.21228	3.6
629.22351	54.8
630.22589	0.5
638.59192	0.6
772.58154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01592	0.2
50.81699	0.1
51.02372	1.1
51.33832	0.1
52.76058	0.1
53.03940	7.7
54.23998	0.2
55.01863	0.4
56.96560	1.3
58.76635	0.1
72.93793	0.1
75.73180	0.1
77.03915	1.3
79.05476	44.8
81.03404	0.7
83.52364	0.2
84.01543	1.9
84.06955	0.1
91.05457	1.6
93.02056	0.8
95.04947	21.7
95.52312	0.2
96.00957	0.2
105.04501	6.1
105.07000	0.4
107.04940	100.0
107.08599	1.4
108.05286	0.6
109.06477	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.69924	0.3
55.01846	0.5
57.45071	0.3
63.84158	0.3
65.03922	7.0
67.05492	2.4
73.24172	0.4
79.05473	15.5
80.46416	0.3
82.16660	0.3
91.05462	87.1
92.06236	1.6
92.08874	1.0
92.64291	0.3
95.04958	0.8
102.02287	0.4
105.07014	38.1
106.04151	0.7
107.04941	3.8
107.08576	100.0
108.08919	0.7
109.06503	28.9
119.06037	13.3
124.05197	0.7
124.33842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	3.5
53.03940	35.6
54.81193	0.6
55.01868	1.1
61.47277	0.5
77.03898	4.5
79.05475	2.8
81.03412	4.2
92.63255	0.8
95.04947	86.0
97.40990	0.6
103.05431	1.5
105.03378	100.0
105.04453	24.2
105.07004	19.9
106.03669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.5991
Annotation	Unknow
Peak:m/z	Relative Intensity
80.20907	0.3
83.88914	0.2
90.07224	0.2
92.09099	1.9
199.96449	0.2
221.10889	0.3
352.90924	0.2
373.15128	0.3
375.16302	0.4
387.16635	0.4
388.16913	0.9
389.17670	2.7
390.18262	1.0
391.19312	1.1
401.17834	0.4
402.18906	0.4
403.14859	0.3
403.19443	3.8
404.19913	1.3
405.20758	2.6
413.19016	0.3
415.19220	0.4
416.16068	1.2
416.20615	0.9
417.16248	5.4
417.21292	1.7
418.17496	1.3
418.21655	1.5
419.22351	7.2
420.23065	1.2
430.17868	0.4
431.18243	9.1
432.19000	2.8
433.20007	4.5
434.21362	0.3
444.19699	0.3
445.20041	6.9
446.20911	7.7
447.21692	7.3
459.17166	1.1
459.21976	1.6
460.18454	0.5
461.19513	1.7
462.24393	0.4
463.21005	0.5
473.19519	0.5
474.20355	4.6
475.21149	4.8
477.23096	0.9
478.23523	0.5
487.21371	2.2
490.23557	0.5
491.19641	2.0
491.25488	0.2
501.22705	1.3
505.22421	0.5
506.23184	0.5
519.23938	20.6
520.24402	0.3
547.23285	22.9
548.23547	0.4
551.26282	0.6
561.25128	0.6
575.22803	0.4
579.25934	14.3
589.24170	0.4
607.25403	100.0
608.25604	2.0
891.16766	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.6
53.03939	28.5
53.10551	0.7
55.01860	1.3
56.20348	0.6
77.03905	6.0
79.05448	0.9
81.03397	2.9
92.08770	4.6
92.09415	1.5
95.04326	1.8
95.04945	75.2
105.03375	100.0
105.04449	21.1
105.07021	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.3
53.03937	36.9
54.55349	1.0
55.50626	0.9
56.39288	0.9
63.32632	1.1
77.03894	6.6
77.57954	1.0
79.05452	2.0
81.03403	2.9
92.09045	7.3
92.76456	1.1
95.04317	1.7
95.04945	83.5
105.03373	100.0
105.04439	21.2
105.07009	20.3
116.53487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	3.0
52.89923	0.5
53.03938	35.2
54.21766	0.5
54.81483	0.6
55.01869	0.9
55.50402	0.5
67.22781	0.6
69.03393	0.7
77.03908	8.1
79.12226	0.7
81.03387	1.5
92.08976	1.5
95.04944	89.7
99.94900	0.6
102.16780	0.6
105.03374	100.0
105.04447	21.4
105.06989	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	105.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01559	1.1
51.02375	2.4
53.03942	39.8
54.81779	1.2
55.01849	1.8
57.51551	0.9
59.13021	1.1
60.95856	1.0
77.03909	5.6
78.79396	1.0
79.05467	1.9
79.80557	1.0
81.03391	1.6
83.11679	1.0
85.02984	1.0
92.09187	7.6
95.04952	89.5
103.05441	1.4
104.28632	1.1
105.03380	100.0
105.04454	21.7
105.07011	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	105.0328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.2
53.03720	1.9
53.03939	36.2
64.31717	1.3
77.03898	8.1
79.05442	1.9
81.03390	2.3
81.61475	1.4
91.25062	1.6
92.08844	3.2
95.04323	2.8
95.04938	97.6
105.03374	100.0
105.04444	22.5
105.07014	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	105.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.6
50.70564	0.4
50.98407	0.3
51.02378	3.2
51.61891	0.3
53.03939	32.5
55.01857	1.0
55.77832	0.4
77.03909	7.7
79.05469	1.0
80.35793	0.4
81.03397	3.0
92.09142	0.6
95.04947	85.9
103.05498	0.5
105.03376	100.0
105.04446	21.0
105.07004	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	104.1074
Annotation	Choline
Peak:m/z	Relative Intensity
58.06579	1.4
58.06868	0.1
59.06895	0.0
59.07369	0.5
60.08149	16.7
60.66454	0.0
61.08464	0.0
62.78492	0.0
69.03417	0.4
75.11316	0.0
86.06046	0.4
87.04446	1.6
92.09116	0.1
103.99715	0.0
104.10719	100.0
105.11024	0.3
111.82267	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1038.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02888	0.1
76.94498	0.1
77.03896	0.9
79.05469	7.9
81.03390	8.0
81.03870	0.3
81.07029	4.4
83.04955	3.6
83.08596	3.7
85.02881	13.6
85.06521	0.8
87.04443	0.6
91.05447	2.2
93.07012	3.2
95.04940	15.3
95.08582	2.3
97.02859	5.7
97.06508	1.8
97.10142	0.8
99.04420	3.7
99.08018	0.3
105.03365	100.0
105.06998	3.8
106.03710	0.7
107.08569	6.2
108.04450	0.2
109.02852	7.6
109.06490	8.4
109.10129	6.6
111.08085	1.2
113.09587	0.3
113.54829	0.1
115.03846	0.1
115.07545	0.3
117.06979	0.6
119.04890	0.3
119.08560	2.6
121.06501	0.2
121.10110	5.4
123.04396	16.8
123.08006	1.5
123.11659	2.1
124.04765	0.2
125.09599	1.4
127.03879	6.6
127.07545	0.2
129.06998	0.2
131.05045	0.1
131.08530	3.2
133.10092	13.6
135.08052	1.5
135.11664	2.5
137.06052	0.2
137.09608	0.2
139.11165	0.3
143.08537	0.7
144.09319	0.3
145.04950	1.6
145.10091	2.6
147.04381	0.7
147.11662	2.9
148.22665	0.2
149.09550	0.3
149.13220	4.4
151.11150	4.2
153.09064	4.2
157.10121	0.2
158.10857	1.7
161.13255	0.2
163.03886	0.3
163.11092	0.7
163.14844	1.1
165.05457	0.5
165.12723	0.8
167.14267	5.1
171.10101	0.6
173.13210	8.4
175.14822	0.3
191.12480	0.3
191.14265	12.1
209.15318	23.0
210.15735	0.2
227.14084	0.2
227.14702	0.2
227.16357	6.5
231.06464	2.1
249.07504	14.3
267.08557	40.1
268.08932	0.2
275.16269	0.3
287.05469	1.8
288.05890	0.6
317.17419	0.8
353.19415	1.2
357.76309	0.2
439.20865	0.7
457.21924	1.2
475.23172	3.4
493.24341	0.5
528.28613	0.2
598.85101	0.2
627.65674	0.1
715.68427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51654	0.6
50.63234	0.1
51.01708	0.1
52.11225	0.1
56.05033	0.1
58.01448	1.8
58.96146	0.1
58.99837	1.5
59.01536	0.2
59.52163	1.8
59.99926	0.2
60.01202	0.2
60.02210	0.1
60.04500	0.9
60.52055	0.3
60.95830	1.2
60.99594	0.3
62.02422	1.0
66.23357	0.1
68.52684	1.3
69.50704	0.2
70.88387	0.1
71.02963	26.0
71.16816	0.1
71.53008	4.6
72.02837	3.8
72.03210	0.3
73.51002	0.1
76.02488	1.5
77.00875	0.9
77.02554	0.2
77.02967	0.1
78.00970	0.3
78.02231	0.2
78.51203	0.2
78.52950	0.6
80.03481	100.0
80.53542	20.5
81.01469	0.5
81.03345	21.6
82.01420	19.1
82.53741	1.6
83.01480	3.0
83.03817	0.2
83.53622	0.2
84.01165	3.2
86.03506	0.1
87.04258	0.1
87.53467	0.6
89.03997	18.1
89.53200	0.2
89.54063	3.2
90.01976	0.5
90.03848	3.5
91.54263	4.1
92.03449	0.7
92.04342	0.9
92.08695	0.3
92.09255	0.4
92.54148	0.9
94.03506	0.2
100.02454	89.8
101.00848	0.9
101.02529	14.1
102.02210	15.4
102.02826	0.8
103.00601	0.2
103.02512	0.6
117.05096	0.1
118.03487	53.5
119.01887	7.4
119.03571	9.8
120.01981	0.8
120.03226	8.2
120.03852	0.5
121.01638	3.8
121.02495	0.2
121.03538	0.8
123.04031	1.7
124.04031	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	1026.7228
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05000	2.8
74.63248	2.1
79.05472	20.3
81.07046	50.3
83.04958	3.0
83.08595	9.5
91.05466	21.3
91.50359	1.6
91.93510	1.9
92.08735	2.9
92.09268	3.7
93.07027	45.2
95.04930	4.5
95.08585	83.5
97.06520	3.7
97.10164	3.6
105.07008	59.0
105.07662	3.2
107.08583	78.2
109.06503	8.9
109.10149	46.2
111.08082	3.2
117.07004	7.4
119.08556	93.8
121.06486	12.8
121.10135	54.5
123.08038	11.0
123.11681	14.5
125.09599	2.9
129.06975	2.2
131.08545	32.2
133.06458	2.6
133.10106	75.1
135.08034	18.8
135.11674	29.9
136.33670	1.9
137.05975	2.8
137.09612	7.2
142.07762	2.7
143.08548	21.5
144.09315	2.1
145.10112	48.2
147.08017	14.1
147.11668	59.1
149.09584	4.1
149.13261	44.6
153.09132	6.5
155.08493	1.9
157.10114	21.9
158.10831	2.9
159.08038	3.2
159.11668	47.2
160.12294	2.8
161.09589	25.0
161.13235	40.4
163.07495	2.6
163.11159	11.0
163.14780	45.5
163.16055	2.7
165.09088	3.1
165.12628	2.6
167.10461	1.9
169.08749	2.0
169.10123	3.5
170.10866	3.1
171.11639	18.5
173.09583	4.3
173.13254	34.3
175.11176	18.2
175.14795	66.5
177.09050	2.5
177.12680	9.9
177.16350	52.9
183.11690	11.8
185.13225	25.2
187.11237	7.6
187.14784	69.7
189.12701	19.2
189.16350	79.9
191.10638	3.0
191.14262	14.0
191.17940	15.7
193.15883	3.0
197.13243	7.7
199.14766	16.6
201.12721	10.2
201.16331	31.5
203.14314	47.3
203.17934	79.9
204.14532	2.3
205.12207	2.5
205.15900	8.0
207.13785	2.9
207.17499	3.6
209.15388	3.0
211.14796	3.5
213.16422	16.5
215.14345	25.1
215.17816	14.5
217.15872	14.8
217.19533	11.5
219.13837	2.8
221.15321	23.0
227.14282	2.0
227.17903	4.1
229.15865	11.1
229.19383	15.9
231.17354	3.8
231.21075	3.0
233.15398	12.1
235.16989	15.5
239.16399	12.6
241.19617	3.0
243.17458	2.0
243.21123	3.5
245.15343	3.5
247.16895	11.5
247.20406	2.5
249.18454	9.1
251.16324	2.6
261.18585	3.8
265.17795	2.7
275.20126	2.6
281.17682	2.5
315.14795	1.9
335.27271	2.5
377.32077	2.6
387.30310	7.5
393.31418	24.2
395.33084	3.7
405.31384	33.0
421.31012	26.2
423.32501	62.4
425.34039	12.5
433.31119	22.9
439.31992	47.5
441.33536	100.0
451.31931	67.7
459.34598	48.8
469.33057	93.3
487.34140	54.7
505.35135	20.0
522.37738	9.5
901.19678	2.3
1007.60577	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	1018.5931
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04971	3.9
73.02901	5.2
79.05473	83.1
81.03400	16.9
81.07040	100.0
83.04980	12.4
83.08603	21.4
85.02891	31.3
87.04446	6.8
91.03940	5.6
91.05474	47.9
92.08867	7.8
93.07025	85.4
95.04960	12.7
95.08577	64.4
97.02879	17.6
97.06537	6.6
97.10155	19.0
100.54223	2.9
103.49148	3.1
103.73106	3.2
105.07027	34.7
106.43170	3.5
107.08590	45.8
109.06507	4.9
109.10144	90.0
117.07023	6.4
118.19563	2.9
119.08557	29.9
120.99493	3.0
121.10133	25.9
121.39262	3.0
123.11689	4.5
125.09611	15.6
129.05495	3.5
131.08511	21.3
133.10132	15.1
135.11702	15.0
143.08638	4.0
145.10132	19.4
147.11623	4.4
149.13269	6.4
153.12715	3.2
159.11630	4.3
163.11084	4.2
163.14706	4.0
173.11710	20.5
173.13179	5.8
190.40222	3.0
199.13260	3.8
209.11681	5.3
227.12924	3.9
229.14323	64.3
238.61871	3.5
243.20963	3.7
261.22171	24.3
267.15915	3.4
301.16391	13.6
327.23340	3.6
335.25696	76.5
399.23764	25.4
477.35413	4.3
489.35831	24.3
543.36511	7.3
561.37585	19.6
579.38092	6.3
659.45160	64.2
671.62238	4.7
821.00128	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	1018.5931
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04974	2.5
73.02894	10.8
79.05471	71.2
81.03387	12.9
81.07037	87.6
83.04961	5.0
83.08601	21.2
85.02892	30.7
85.06544	2.0
91.03911	5.1
91.05454	41.9
92.09007	17.2
93.07016	67.7
93.71944	1.8
95.04928	11.9
95.08582	56.9
97.02857	16.1
97.06494	4.1
97.10128	18.3
97.12956	2.0
105.06993	24.9
107.08576	33.8
109.06496	3.7
109.10140	74.1
111.08069	3.2
117.06996	11.3
119.08528	23.6
121.10099	21.9
123.08035	2.1
123.11658	4.0
125.09627	10.7
129.05394	2.6
129.06970	2.3
131.08533	12.9
133.10115	13.2
135.11647	14.0
137.09589	3.3
143.08549	3.4
145.10098	10.5
147.11644	4.2
149.13211	3.1
157.10072	2.4
159.11610	4.3
161.13242	3.2
163.11070	2.5
168.58768	2.2
173.11679	19.3
173.13087	4.1
193.12303	2.3
199.13293	2.5
209.11650	2.4
214.82471	2.1
220.00186	2.3
227.12794	4.3
229.14273	43.5
242.60454	2.3
243.20973	4.5
261.21985	17.4
267.15808	2.8
301.16470	15.2
335.25711	100.0
399.23621	9.5
477.35391	4.1
489.35715	30.1
543.36572	5.2
561.37616	11.6
579.38708	4.4
659.44995	45.9
736.06097	2.7
873.84058	2.3
1003.27533	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	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58360	0.5
53.40015	0.5
54.13075	0.5
56.96555	6.2
58.99838	4.3
59.99655	0.8
59.99932	15.9
60.99593	1.1
71.02930	0.8
76.51540	0.6
77.00877	1.3
78.00967	9.0
79.01810	0.9
80.03465	3.1
83.01472	18.0
84.01169	1.3
87.53456	1.5
88.02337	2.8
89.03994	9.3
89.52307	0.8
89.54113	0.9
90.03841	0.9
92.09045	1.0
96.01966	2.8
100.02439	8.2
100.54780	0.7
101.00873	10.7
101.02531	100.0
102.02213	13.6
107.32182	0.7
117.05093	5.1
118.03493	18.0
119.01893	72.6
119.03580	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58360	0.5
53.40015	0.5
54.13075	0.5
56.96555	6.2
58.99838	4.3
59.99655	0.8
59.99932	15.9
60.99593	1.1
71.02930	0.8
76.51540	0.6
77.00877	1.3
78.00967	9.0
79.01810	0.9
80.03465	3.1
83.01472	18.0
84.01169	1.3
87.53456	1.5
88.02337	2.8
89.03994	9.3
89.52307	0.8
89.54113	0.9
90.03841	0.9
92.09045	1.0
96.01966	2.8
100.02439	8.2
100.54780	0.7
101.00873	10.7
101.02531	100.0
102.02213	13.6
107.32182	0.7
117.05093	5.1
118.03493	18.0
119.01893	72.6
119.03580	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1006.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36031	0.9
71.01330	1.0
71.04971	1.2
73.02892	4.9
79.05471	54.1
81.03397	7.5
81.07035	75.7
83.01366	0.9
83.04967	4.8
83.08595	13.9
84.47713	0.9
85.02885	25.7
85.06522	1.3
87.04453	0.9
91.03940	8.4
91.05453	37.1
92.09192	1.1
93.03401	1.1
93.07018	65.1
95.04940	12.1
95.08579	48.9
97.02859	10.7
97.06528	3.8
97.10168	4.8
99.04429	1.1
103.05442	4.7
104.33588	0.9
105.04500	0.9
105.07007	36.9
107.04938	5.0
107.08571	34.7
109.02856	8.6
109.06516	5.7
109.10131	23.7
111.04417	3.9
111.08045	2.1
111.70992	1.0
113.02348	20.5
115.05431	2.2
117.06983	9.6
119.04961	1.1
119.08558	23.2
121.02778	1.1
121.06477	11.0
121.10128	23.8
122.09565	0.8
123.04437	2.2
123.08046	4.4
123.11682	7.0
125.02284	7.3
125.09611	1.4
127.03898	3.3
128.06219	3.9
129.06990	4.6
130.64201	0.8
131.08549	17.4
133.06471	3.9
133.10097	35.9
135.08041	4.1
135.11650	17.4
137.02318	6.5
137.05908	1.6
137.09575	1.8
139.03889	8.1
141.01833	4.9
143.08528	11.2
145.04935	1.8
145.06435	1.8
145.10110	13.4
147.08031	2.2
147.11687	7.6
149.09596	2.1
149.13243	7.4
151.03935	1.8
151.07498	1.4
151.11154	11.9
159.07985	1.3
159.11630	6.3
161.09572	30.5
161.13217	4.5
163.06036	1.5
163.11134	2.2
163.14790	4.6
169.04926	1.7
171.08008	7.7
173.09584	1.9
173.13254	4.2
175.11090	1.1
175.14847	0.9
177.16417	1.2
179.10600	8.6
181.06509	0.8
187.14771	3.5
189.09058	23.8
189.11107	1.5
199.07547	1.5
203.10672	0.9
207.10095	10.5
217.08586	8.6
221.11743	1.4
227.12756	6.6
233.22571	1.1
235.09595	15.3
235.71498	0.9
243.21037	6.2
249.11253	5.7
253.10771	6.1
259.20636	1.8
261.22079	22.0
281.10236	3.9
295.11780	2.0
317.24619	1.9
333.24094	2.2
335.25732	100.0
351.14374	1.1
353.20923	3.5
369.15363	69.2
371.21918	1.9
387.16418	32.1
403.24698	1.5
459.92844	1.1
505.29263	1.4
537.31696	1.7
543.37476	1.0
555.33148	1.6
569.35400	1.3
579.32831	4.6
597.33997	5.4
611.35596	9.9
615.35870	1.2
629.36713	85.5
647.37744	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1006.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04985	1.7
73.02888	4.5
79.05476	51.1
81.03409	7.2
81.07041	68.9
83.04967	4.2
83.08602	11.9
83.70703	1.0
85.02422	1.5
85.02892	19.6
85.06525	1.3
91.03910	5.9
91.05469	38.2
93.07030	53.9
95.04950	13.6
95.08585	44.8
97.02872	12.5
97.06495	4.6
97.10144	4.7
103.05440	3.9
105.04501	1.1
105.07018	36.3
107.04930	6.3
107.07875	1.4
107.08587	34.3
107.25297	1.0
109.02882	12.8
109.06522	2.3
109.10154	18.8
109.98503	1.0
110.78053	1.0
111.04401	2.1
111.67939	0.9
113.02353	21.2
115.03896	2.3
115.05432	1.6
117.06987	12.9
119.04916	1.4
119.08572	17.8
121.02840	1.7
121.06497	9.2
121.10120	25.0
123.04393	2.4
123.08045	2.5
123.11687	7.2
125.02328	7.9
125.09579	2.3
127.03902	5.5
128.06203	4.8
129.06999	2.0
131.08539	14.7
133.06470	5.2
133.10103	33.9
135.08032	4.0
135.11662	16.1
137.02325	7.3
137.05928	2.4
137.09633	2.2
139.03905	8.9
141.01797	4.7
143.03407	1.8
143.08539	11.5
145.04947	1.0
145.06418	1.5
145.10106	12.2
147.04419	1.3
147.07990	4.1
147.11670	7.3
149.06026	1.2
149.09578	2.4
149.13191	8.2
151.03850	1.6
151.07507	1.2
151.11153	8.0
159.11674	5.6
161.05991	1.7
161.08652	1.4
161.09599	30.9
161.13248	6.0
163.06000	1.8
163.11121	4.2
163.14777	2.1
169.04961	1.4
171.08032	8.7
173.13173	4.8
175.11214	1.1
175.14819	1.6
177.16356	1.3
179.10675	10.8
187.14746	2.3
189.09059	22.2
191.10736	1.1
191.14459	1.0
199.07520	2.3
203.10628	1.8
207.10162	11.5
217.08557	10.6
221.11674	1.5
227.12685	6.5
233.22940	1.0
235.09645	14.4
239.12724	1.7
243.21040	6.0
249.11125	6.2
253.10655	6.0
259.20563	1.8
261.22086	18.6
263.09137	1.3
281.10104	4.4
286.66986	1.1
295.11801	1.5
313.12646	1.3
317.24582	1.6
333.24039	1.3
335.25766	100.0
336.26108	1.3
353.21024	1.9
369.15378	60.8
371.22339	1.2
387.16437	34.2
387.63217	1.1
403.24710	1.4
427.24823	1.2
505.29031	2.1
523.30798	1.3
543.36627	1.5
569.35052	1.3
579.32904	5.6
597.33960	6.4
611.35339	8.6
629.36768	78.7
647.37823	40.0
1006.53912	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01315	0.1
71.04952	0.7
73.02912	0.6
77.03945	0.2
79.05471	1.6
81.03398	8.0
81.05344	0.1
85.02888	14.3
87.04452	0.2
91.05460	100.0
92.05795	0.5
93.07053	0.1
95.04943	2.0
97.02866	13.3
99.04423	1.3
99.27859	0.1
103.03945	0.1
105.03371	38.2
105.07014	0.4
106.03695	0.2
107.04919	0.4
107.08537	0.1
108.04424	0.1
109.02859	5.3
115.03882	0.8
115.05473	0.1
117.06992	0.6
121.02763	0.2
123.04401	3.6
127.03893	5.2
128.06172	0.1
129.06978	0.5
133.06464	0.3
135.04373	0.1
136.06110	0.1
137.02315	0.6
143.08521	0.4
145.02707	0.1
145.04932	3.6
145.06404	0.2
149.02313	0.3
153.06975	0.4
157.06450	0.4
159.07994	0.1
161.04427	0.6
163.05962	1.2
167.03363	1.8
171.08034	0.5
173.05962	0.1
181.06378	0.1
189.05420	0.1
217.08537	0.8
227.06989	0.9
235.09563	0.6
245.08041	11.7
249.07523	14.2
253.10643	0.8
267.08575	9.3
267.10672	0.1
268.66455	0.1
325.11218	0.4
327.13910	0.1
354.87805	0.1
383.81741	0.1
436.15903	0.3
585.28333	0.5
586.28931	0.2
738.06903	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	1004.6149
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04959	1.9
73.02899	2.6
79.05479	76.4
81.03402	2.2
81.07041	100.0
83.04958	6.9
83.08599	16.3
85.02888	9.8
85.06536	3.1
87.74094	1.4
91.03925	6.4
91.05462	59.9
91.68908	1.3
92.08717	9.1
92.09332	5.3
93.07023	86.7
95.04944	12.5
95.08585	71.6
97.02873	2.8
97.06522	14.2
97.10153	8.7
99.08048	2.1
105.04500	2.3
105.07014	43.6
107.04921	7.0
107.08579	49.9
109.06506	10.6
109.10142	31.2
111.08060	7.0
117.06992	24.1
119.08555	35.3
121.06499	3.0
121.10110	33.4
123.08072	3.1
123.11674	9.4
125.09607	2.4
126.55955	1.4
127.03969	1.5
128.06187	1.8
129.07013	3.1
131.08549	34.6
133.10120	29.8
135.08043	2.8
135.11655	19.9
137.09625	5.8
143.08519	6.4
145.06458	2.1
145.10100	19.2
147.08018	1.5
147.11682	15.1
149.09619	7.9
149.13251	15.4
151.11101	2.0
155.08611	2.1
157.10118	8.8
159.11641	16.6
161.13251	7.3
163.11180	3.5
163.14708	2.8
169.10149	2.5
171.11682	2.7
173.13217	11.2
175.14848	2.2
177.12605	1.8
179.14394	1.6
183.11719	2.3
185.13277	2.1
187.14703	2.0
201.16290	1.7
227.12912	1.8
239.17879	1.7
243.21074	1.5
247.20634	1.8
257.19089	6.5
261.22092	10.1
269.17310	19.4
275.20020	26.2
293.21027	6.3
309.20648	6.9
335.25742	76.5
349.23633	26.3
367.24939	16.8
413.21796	1.6
437.33707	1.6
477.37067	1.9
487.45084	1.8
489.35736	1.8
511.37466	2.0
529.38824	66.8
551.39679	2.2
569.33899	1.7
569.41833	40.7
609.45123	70.9
627.46149	54.3
673.43060	3.4
713.46136	2.1
END